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 3ahq_1_A DATA FIRST_RESID 34 DATA SEQUENCE RcFcQVSGYL DDcTcDVETI DRFNNYRLFP RLQKLLESDY FRYYKVNLKR DATA SEQUENCE PcPFWNXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXEQ DATA SEQUENCE AERLGAVDES LSEETQKAVL QWTKHDDSSD NFXXXXXXXS PEAEYVDLLL DATA SEQUENCE NPERYTGYKG PDAWKIWNVI YEENcFKPXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXGLcVE KRAFYRLISG LHASINVHLS ARYLLQETWL EKKWGHNITE DATA SEQUENCE FQQRFDGILT EGEGPRRLKN LYFLYLIELR ALSKVLPFFE RPDFQLFTGN DATA SEQUENCE KIQDEENKML LLEILHEIKS FPLHFDENSF FAGDKKEAHK LKEDFRLHFR DATA SEQUENCE NISRIMDcVG CFKCRLWGKL QTQGLGTALK ILFSEKLIAN MPESGPSYEF DATA SEQUENCE HLTRQEIVSL FNAFGRISTS VKELENFRNL LQ 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 34 R HA 0.000 nan 4.340 nan 0.000 0.208 34 R C 0.000 176.303 176.300 0.005 0.000 0.893 34 R CA 0.000 56.075 56.100 -0.042 0.000 0.921 34 R CB 0.000 30.299 30.300 -0.002 0.000 0.687 35 c N 1.482 120.059 118.600 -0.038 0.000 2.534 35 c HA 0.574 5.142 4.570 -0.004 0.000 0.385 35 c C 0.031 174.256 174.090 0.226 0.000 1.264 35 c CA -0.172 56.201 56.329 0.073 0.000 2.342 35 c CB -0.205 42.347 42.510 0.071 0.000 2.564 35 c HN 0.660 nan 8.230 nan 0.000 0.603 36 F N 1.303 121.241 119.950 -0.021 0.000 2.653 36 F HA 0.456 4.981 4.527 -0.004 0.000 0.327 36 F C -0.591 175.118 175.800 -0.152 0.000 1.195 36 F CA -0.692 57.278 58.000 -0.049 0.000 0.993 36 F CB 0.706 39.697 39.000 -0.015 0.000 1.259 36 F HN 0.615 nan 8.300 nan 0.000 0.478 37 c N 4.425 122.598 118.600 -0.711 0.000 2.351 37 c HA 0.596 5.163 4.570 -0.004 0.000 0.326 37 c C -0.283 173.310 174.090 -0.827 0.000 1.272 37 c CA -0.680 55.164 56.329 -0.808 0.000 1.650 37 c CB 1.178 42.861 42.510 -1.378 0.000 2.257 37 c HN 0.783 nan 8.230 nan 0.000 0.505 38 Q N 2.031 121.564 119.800 -0.446 0.000 2.347 38 Q HA 0.541 4.879 4.340 -0.004 0.000 0.262 38 Q C -0.967 174.936 176.000 -0.160 0.000 0.980 38 Q CA -0.209 55.416 55.803 -0.296 0.000 0.867 38 Q CB 0.926 29.566 28.738 -0.162 0.000 1.242 38 Q HN 0.655 nan 8.270 nan 0.000 0.453 39 V N 3.931 123.741 119.914 -0.173 0.000 2.894 39 V HA 0.028 4.146 4.120 -0.004 0.000 0.373 39 V C 1.419 177.279 176.094 -0.389 0.000 1.286 39 V CA 0.543 62.700 62.300 -0.238 0.000 1.331 39 V CB -0.281 31.406 31.823 -0.226 0.000 1.415 39 V HN 0.933 nan 8.190 nan 0.000 0.585 40 S N 1.332 116.921 115.700 -0.185 0.000 2.365 40 S HA -0.068 4.400 4.470 -0.004 0.000 0.225 40 S C 1.706 176.333 174.600 0.046 0.000 1.039 40 S CA 2.164 60.284 58.200 -0.133 0.000 1.033 40 S CB -0.139 62.928 63.200 -0.222 0.000 0.887 40 S HN 1.357 nan 8.310 nan 0.000 0.447 41 G N -1.332 107.584 108.800 0.193 0.000 2.370 41 G HA2 -0.068 3.889 3.960 -0.004 0.000 0.174 41 G HA3 -0.068 3.889 3.960 -0.004 0.000 0.174 41 G C 0.432 175.624 174.900 0.485 0.000 1.002 41 G CA 0.139 45.529 45.100 0.483 0.000 0.730 41 G HN 0.542 nan 8.290 nan 0.000 0.497 42 Y N -0.189 120.165 120.300 0.089 0.000 2.414 42 Y HA 0.543 5.091 4.550 -0.004 0.000 0.248 42 Y C 1.559 177.490 175.900 0.051 0.000 1.054 42 Y CA 0.112 58.251 58.100 0.066 0.000 1.156 42 Y CB 0.279 38.768 38.460 0.047 0.000 1.051 42 Y HN 0.005 nan 8.280 nan 0.000 0.485 43 L N 1.761 123.123 121.223 0.231 0.000 2.935 43 L HA 0.245 4.583 4.340 -0.004 0.000 0.243 43 L C -1.506 175.401 176.870 0.061 0.000 1.313 43 L CA -0.560 54.347 54.840 0.113 0.000 0.969 43 L CB -0.124 41.992 42.059 0.095 0.000 1.320 43 L HN 0.193 nan 8.230 nan 0.000 0.511 44 D N 0.692 121.127 120.400 0.059 0.000 2.525 44 D HA 0.255 4.892 4.640 -0.004 0.000 0.235 44 D C -0.132 176.140 176.300 -0.047 0.000 1.137 44 D CA 0.805 54.829 54.000 0.040 0.000 0.868 44 D CB 0.631 41.495 40.800 0.107 0.000 1.180 44 D HN 0.149 nan 8.370 nan 0.000 0.465 45 D N 0.004 120.471 120.400 0.112 0.000 2.783 45 D HA 0.239 4.877 4.640 -0.004 0.000 0.253 45 D C -1.743 174.670 176.300 0.188 0.000 1.206 45 D CA -0.500 53.574 54.000 0.124 0.000 0.740 45 D CB 0.940 41.765 40.800 0.042 0.000 1.313 45 D HN 0.422 nan 8.370 nan 0.000 0.427 46 c N 1.144 119.881 118.600 0.228 0.000 2.408 46 c HA 0.741 5.309 4.570 -0.004 0.000 0.321 46 c C -0.157 174.014 174.090 0.134 0.000 1.245 46 c CA -0.570 55.839 56.329 0.133 0.000 1.523 46 c CB 1.323 43.919 42.510 0.144 0.000 2.178 46 c HN 0.519 nan 8.230 nan 0.000 0.488 47 T N 1.934 116.573 114.554 0.143 0.000 2.738 47 T HA 0.467 4.814 4.350 -0.004 0.000 0.298 47 T C -0.489 174.286 174.700 0.123 0.000 0.962 47 T CA -0.173 62.004 62.100 0.129 0.000 0.972 47 T CB 0.364 69.317 68.868 0.142 0.000 0.928 47 T HN 0.848 nan 8.240 nan 0.000 0.474 48 c N 4.758 123.412 118.600 0.090 0.000 2.817 48 c HA 0.356 4.923 4.570 -0.004 0.000 0.385 48 c C -0.606 173.511 174.090 0.045 0.000 1.050 48 c CA -1.184 55.202 56.329 0.094 0.000 1.245 48 c CB 0.356 42.965 42.510 0.165 0.000 1.706 48 c HN 0.956 nan 8.230 nan 0.000 0.488 49 D N 3.680 124.099 120.400 0.032 0.000 2.520 49 D HA -0.017 4.620 4.640 -0.004 0.000 0.243 49 D C 1.143 177.432 176.300 -0.018 0.000 1.160 49 D CA 0.716 54.718 54.000 0.003 0.000 0.877 49 D CB 1.396 42.203 40.800 0.011 0.000 1.150 49 D HN 0.532 nan 8.370 nan 0.000 0.494 50 V N 3.988 123.839 119.914 -0.104 0.000 2.380 50 V HA -0.231 3.887 4.120 -0.004 0.000 0.251 50 V C 1.928 177.961 176.094 -0.102 0.000 1.063 50 V CA 2.506 64.667 62.300 -0.231 0.000 1.055 50 V CB -0.413 31.220 31.823 -0.316 0.000 0.657 50 V HN 0.772 nan 8.190 nan 0.000 0.455 51 E N -1.143 119.044 120.200 -0.021 0.000 2.208 51 E HA -0.159 4.188 4.350 -0.004 0.000 0.193 51 E C 2.087 178.748 176.600 0.102 0.000 0.988 51 E CA 1.462 57.884 56.400 0.036 0.000 0.828 51 E CB -0.019 29.700 29.700 0.032 0.000 0.763 51 E HN 0.715 nan 8.360 nan 0.000 0.478 52 T N 0.940 115.571 114.554 0.128 0.000 2.770 52 T HA -0.081 4.267 4.350 -0.004 0.000 0.263 52 T C 1.875 176.816 174.700 0.401 0.000 1.039 52 T CA 1.060 63.301 62.100 0.234 0.000 1.142 52 T CB -0.128 68.854 68.868 0.189 0.000 0.868 52 T HN 0.162 nan 8.240 nan 0.000 0.435 53 I N 1.571 122.348 120.570 0.345 0.000 2.163 53 I HA -0.207 3.960 4.170 -0.004 0.000 0.243 53 I C 2.346 178.565 176.117 0.171 0.000 1.085 53 I CA 1.265 62.723 61.300 0.263 0.000 1.347 53 I CB -0.468 37.611 38.000 0.131 0.000 1.044 53 I HN 0.127 nan 8.210 nan 0.000 0.408 54 D N 0.657 121.127 120.400 0.117 0.000 2.097 54 D HA -0.159 4.479 4.640 -0.004 0.000 0.195 54 D C 2.359 178.728 176.300 0.115 0.000 0.989 54 D CA 1.271 55.315 54.000 0.073 0.000 0.827 54 D CB -0.233 40.605 40.800 0.063 0.000 0.966 54 D HN 0.241 nan 8.370 nan 0.000 0.456 55 R N -0.646 119.981 120.500 0.212 0.000 2.066 55 R HA -0.098 4.239 4.340 -0.004 0.000 0.232 55 R C 2.262 178.742 176.300 0.301 0.000 1.131 55 R CA 0.799 57.077 56.100 0.296 0.000 0.955 55 R CB -0.423 30.029 30.300 0.254 0.000 0.851 55 R HN 0.148 nan 8.270 nan 0.000 0.432 56 F N 1.924 121.998 119.950 0.207 0.000 2.069 56 F HA -0.263 4.261 4.527 -0.004 0.000 0.298 56 F C 2.071 177.946 175.800 0.125 0.000 1.113 56 F CA 1.848 59.970 58.000 0.203 0.000 1.214 56 F CB -0.530 38.628 39.000 0.262 0.000 0.978 56 F HN 0.031 nan 8.300 nan 0.000 0.474 57 N N 0.070 118.691 118.700 -0.131 0.000 2.171 57 N HA -0.176 4.562 4.740 -0.004 0.000 0.184 57 N C 1.240 176.590 175.510 -0.267 0.000 1.021 57 N CA 1.445 54.341 53.050 -0.256 0.000 0.854 57 N CB -0.247 38.148 38.487 -0.155 0.000 0.994 57 N HN 0.312 nan 8.380 nan 0.000 0.426 58 N N -0.542 117.969 118.700 -0.315 0.000 2.416 58 N HA -0.037 4.700 4.740 -0.004 0.000 0.177 58 N C 0.582 175.578 175.510 -0.856 0.000 1.036 58 N CA 0.837 53.512 53.050 -0.626 0.000 0.901 58 N CB -0.100 37.951 38.487 -0.727 0.000 0.976 58 N HN 0.424 nan 8.380 nan 0.000 0.444 59 Y N 0.184 120.457 120.300 -0.045 0.000 2.664 59 Y HA 0.307 4.855 4.550 -0.004 0.000 0.278 59 Y C 2.116 178.002 175.900 -0.023 0.000 1.130 59 Y CA -0.033 58.061 58.100 -0.011 0.000 1.260 59 Y CB 0.280 38.742 38.460 0.004 0.000 1.369 59 Y HN -0.129 nan 8.280 nan 0.000 0.499 60 R N -0.191 120.322 120.500 0.021 0.000 2.075 60 R HA 0.047 4.384 4.340 -0.004 0.000 0.220 60 R C 1.991 178.190 176.300 -0.168 0.000 1.118 60 R CA 0.961 57.039 56.100 -0.037 0.000 0.986 60 R CB -0.824 29.491 30.300 0.025 0.000 0.884 60 R HN 0.288 nan 8.270 nan 0.000 0.439 61 L N 0.318 121.293 121.223 -0.413 0.000 2.131 61 L HA 0.009 4.346 4.340 -0.004 0.000 0.206 61 L C 2.212 179.012 176.870 -0.116 0.000 1.087 61 L CA 1.100 55.746 54.840 -0.324 0.000 0.767 61 L CB -0.334 41.410 42.059 -0.525 0.000 0.917 61 L HN -0.031 nan 8.230 nan 0.000 0.441 62 F N 1.666 121.476 119.950 -0.234 0.000 2.060 62 F HA -0.036 4.488 4.527 -0.004 0.000 0.295 62 F C -0.601 175.120 175.800 -0.132 0.000 1.120 62 F CA 1.429 59.315 58.000 -0.190 0.000 1.205 62 F CB -1.558 37.297 39.000 -0.243 0.000 0.986 62 F HN 0.119 nan 8.300 nan 0.000 0.470 63 P HA -0.139 nan 4.420 nan 0.000 0.220 63 P C 1.237 178.402 177.300 -0.226 0.000 1.148 63 P CA 1.613 64.570 63.100 -0.238 0.000 0.803 63 P CB -0.245 31.427 31.700 -0.046 0.000 0.782 64 R N -0.740 119.666 120.500 -0.156 0.000 2.075 64 R HA 0.008 4.345 4.340 -0.004 0.000 0.226 64 R C 2.380 178.582 176.300 -0.164 0.000 1.114 64 R CA 0.617 56.641 56.100 -0.127 0.000 0.972 64 R CB -1.234 29.024 30.300 -0.071 0.000 0.869 64 R HN 0.161 nan 8.270 nan 0.000 0.437 65 L N 1.767 122.881 121.223 -0.182 0.000 2.079 65 L HA -0.213 4.124 4.340 -0.004 0.000 0.210 65 L C 2.432 179.144 176.870 -0.264 0.000 1.081 65 L CA 1.766 56.495 54.840 -0.184 0.000 0.752 65 L CB -0.442 41.553 42.059 -0.105 0.000 0.896 65 L HN 0.162 nan 8.230 nan 0.000 0.433 66 Q N -0.864 118.695 119.800 -0.402 0.000 2.084 66 Q HA -0.284 4.053 4.340 -0.004 0.000 0.202 66 Q C 2.202 178.067 176.000 -0.225 0.000 0.978 66 Q CA 1.807 57.378 55.803 -0.386 0.000 0.844 66 Q CB 0.043 28.436 28.738 -0.575 0.000 0.898 66 Q HN 0.370 nan 8.270 nan 0.000 0.426 67 K N 0.286 120.571 120.400 -0.192 0.000 2.009 67 K HA -0.182 4.135 4.320 -0.004 0.000 0.210 67 K C 1.900 178.438 176.600 -0.104 0.000 1.049 67 K CA 1.190 57.406 56.287 -0.119 0.000 0.929 67 K CB -0.531 31.911 32.500 -0.097 0.000 0.714 67 K HN 0.152 nan 8.250 nan 0.000 0.440 68 L N 0.755 121.886 121.223 -0.153 0.000 2.043 68 L HA -0.155 4.183 4.340 -0.004 0.000 0.212 68 L C 1.682 178.452 176.870 -0.167 0.000 1.075 68 L CA 1.696 56.417 54.840 -0.198 0.000 0.752 68 L CB -0.295 41.533 42.059 -0.384 0.000 0.891 68 L HN 0.201 nan 8.230 nan 0.000 0.432 69 L N -1.096 120.024 121.223 -0.172 0.000 2.376 69 L HA -0.127 4.210 4.340 -0.004 0.000 0.219 69 L C 2.149 179.045 176.870 0.043 0.000 1.133 69 L CA 0.793 55.607 54.840 -0.045 0.000 0.816 69 L CB -0.534 41.500 42.059 -0.042 0.000 0.933 69 L HN 0.365 nan 8.230 nan 0.000 0.449 70 E N -0.134 120.066 120.200 -0.000 0.000 2.371 70 E HA -0.029 4.318 4.350 -0.004 0.000 0.194 70 E C 1.092 177.718 176.600 0.044 0.000 1.012 70 E CA 0.180 56.585 56.400 0.008 0.000 0.860 70 E CB 0.245 29.932 29.700 -0.021 0.000 0.811 70 E HN 0.435 nan 8.360 nan 0.000 0.502 71 S N 0.753 116.510 115.700 0.095 0.000 2.593 71 S HA -0.002 4.466 4.470 -0.004 0.000 0.269 71 S C 0.698 175.392 174.600 0.157 0.000 1.334 71 S CA -0.675 57.602 58.200 0.127 0.000 1.015 71 S CB 1.120 64.414 63.200 0.158 0.000 0.912 71 S HN -0.096 nan 8.310 nan 0.000 0.541 72 D N 0.522 121.013 120.400 0.151 0.000 2.104 72 D HA -0.139 4.499 4.640 -0.004 0.000 0.194 72 D C 1.503 177.873 176.300 0.116 0.000 0.994 72 D CA 1.682 55.824 54.000 0.236 0.000 0.830 72 D CB -0.654 40.294 40.800 0.247 0.000 0.959 72 D HN 0.790 nan 8.370 nan 0.000 0.452 73 Y N -0.200 119.963 120.300 -0.228 0.000 2.181 73 Y HA -0.294 4.254 4.550 -0.004 0.000 0.284 73 Y C 1.709 177.309 175.900 -0.501 0.000 1.179 73 Y CA 1.620 59.385 58.100 -0.557 0.000 1.179 73 Y CB -0.175 37.856 38.460 -0.714 0.000 0.973 73 Y HN -0.086 nan 8.280 nan 0.000 0.519 74 F N -0.924 119.094 119.950 0.113 0.000 2.717 74 F HA 0.174 4.698 4.527 -0.004 0.000 0.297 74 F C 2.175 178.001 175.800 0.044 0.000 1.113 74 F CA 0.437 58.498 58.000 0.102 0.000 1.319 74 F CB -0.117 38.937 39.000 0.089 0.000 1.097 74 F HN -0.060 nan 8.300 nan 0.000 0.595 75 R N -0.749 119.811 120.500 0.101 0.000 2.276 75 R HA 0.043 4.380 4.340 -0.004 0.000 0.196 75 R C -0.703 175.428 176.300 -0.281 0.000 0.961 75 R CA 0.593 56.621 56.100 -0.121 0.000 1.024 75 R CB -0.376 29.755 30.300 -0.282 0.000 0.940 75 R HN 0.141 nan 8.270 nan 0.000 0.480 76 Y N 0.351 120.774 120.300 0.205 0.000 2.352 76 Y HA 0.371 4.919 4.550 -0.004 0.000 0.339 76 Y C -1.026 175.116 175.900 0.403 0.000 0.992 76 Y CA -1.436 56.839 58.100 0.292 0.000 1.100 76 Y CB 1.276 39.932 38.460 0.328 0.000 1.192 76 Y HN -0.056 nan 8.280 nan 0.000 0.458 77 Y N 3.538 124.015 120.300 0.296 0.000 2.361 77 Y HA 0.382 4.930 4.550 -0.004 0.000 0.337 77 Y C -0.626 175.216 175.900 -0.096 0.000 0.965 77 Y CA -1.985 56.174 58.100 0.098 0.000 1.091 77 Y CB 1.330 39.766 38.460 -0.039 0.000 1.182 77 Y HN 0.574 nan 8.280 nan 0.000 0.450 78 K N 6.015 125.947 120.400 -0.779 0.000 2.349 78 K HA 0.538 4.856 4.320 -0.004 0.000 0.289 78 K C -1.740 174.270 176.600 -0.983 0.000 1.064 78 K CA -0.180 55.428 56.287 -1.133 0.000 0.947 78 K CB 0.396 32.195 32.500 -1.169 0.000 1.007 78 K HN 0.601 nan 8.250 nan 0.000 0.478 79 V N 4.045 123.562 119.914 -0.661 0.000 3.012 79 V HA 0.271 4.389 4.120 -0.004 0.000 0.307 79 V C -1.730 174.193 176.094 -0.284 0.000 1.166 79 V CA -1.010 60.986 62.300 -0.507 0.000 0.974 79 V CB 2.231 33.794 31.823 -0.433 0.000 1.040 79 V HN 0.875 nan 8.190 nan 0.000 0.428 80 N N 4.963 123.539 118.700 -0.207 0.000 2.527 80 N HA 0.401 5.138 4.740 -0.004 0.000 0.236 80 N C 0.198 175.654 175.510 -0.090 0.000 0.999 80 N CA -0.244 52.722 53.050 -0.139 0.000 0.935 80 N CB 0.819 39.235 38.487 -0.119 0.000 1.132 80 N HN 0.722 nan 8.380 nan 0.000 0.511 81 L N 2.251 123.424 121.223 -0.084 0.000 2.629 81 L HA 0.234 4.571 4.340 -0.004 0.000 0.230 81 L C 1.169 178.025 176.870 -0.024 0.000 1.151 81 L CA 0.239 55.062 54.840 -0.029 0.000 0.924 81 L CB 0.073 42.102 42.059 -0.050 0.000 1.137 81 L HN 0.206 nan 8.230 nan 0.000 0.457 82 K N 0.226 120.593 120.400 -0.055 0.000 2.483 82 K HA 0.252 4.569 4.320 -0.004 0.000 0.206 82 K C 0.214 176.790 176.600 -0.040 0.000 1.086 82 K CA -0.194 56.059 56.287 -0.057 0.000 1.052 82 K CB 0.816 33.253 32.500 -0.106 0.000 0.904 82 K HN 0.193 nan 8.250 nan 0.000 0.557 83 R N 2.636 123.108 120.500 -0.046 0.000 2.585 83 R HA 0.041 4.379 4.340 -0.004 0.000 0.275 83 R C -2.091 174.168 176.300 -0.068 0.000 1.018 83 R CA -0.856 55.203 56.100 -0.067 0.000 1.072 83 R CB -0.196 30.052 30.300 -0.087 0.000 0.953 83 R HN 0.007 nan 8.270 nan 0.000 0.419 84 P HA -0.051 nan 4.420 nan 0.000 0.272 84 P C -0.220 176.972 177.300 -0.179 0.000 1.223 84 P CA -0.444 62.593 63.100 -0.106 0.000 0.784 84 P CB 0.633 32.273 31.700 -0.100 0.000 0.923 85 c N 5.352 123.817 118.600 -0.225 0.000 2.648 85 c HA 0.100 4.667 4.570 -0.004 0.000 0.406 85 c C -0.639 173.195 174.090 -0.428 0.000 1.406 85 c CA -1.099 55.000 56.329 -0.384 0.000 1.610 85 c CB -1.102 41.084 42.510 -0.540 0.000 2.451 85 c HN 0.455 nan 8.230 nan 0.000 0.608 86 P HA 0.061 nan 4.420 nan 0.000 0.245 86 P C 0.592 177.549 177.300 -0.572 0.000 1.212 86 P CA 0.939 63.683 63.100 -0.595 0.000 0.774 86 P CB -0.039 31.187 31.700 -0.791 0.000 0.999 87 F N -1.386 118.372 119.950 -0.320 0.000 2.637 87 F HA 0.262 4.786 4.527 -0.004 0.000 0.284 87 F C 1.082 176.954 175.800 0.119 0.000 1.105 87 F CA -0.050 57.864 58.000 -0.144 0.000 1.356 87 F CB -0.132 38.751 39.000 -0.195 0.000 1.096 87 F HN 0.019 nan 8.300 nan 0.000 0.616 88 W N -1.959 119.445 121.300 0.174 0.000 2.894 88 W HA 0.466 5.124 4.660 -0.004 0.000 0.424 88 W C -1.186 175.370 176.519 0.063 0.000 1.072 88 W CA -0.964 56.442 57.345 0.102 0.000 1.194 88 W CB 0.098 29.616 29.460 0.096 0.000 1.471 88 W HN -0.377 nan 8.180 nan 0.000 0.608 133 Q N -0.706 119.133 119.800 0.066 0.000 2.254 133 Q HA 0.379 4.717 4.340 -0.004 0.000 0.259 133 Q C 1.306 177.352 176.000 0.076 0.000 0.815 133 Q CA 0.760 56.608 55.803 0.076 0.000 0.961 133 Q CB 1.649 30.436 28.738 0.083 0.000 1.140 133 Q HN 0.268 nan 8.270 nan 0.000 0.502 134 A N 1.290 124.148 122.820 0.062 0.000 2.167 134 A HA -0.126 4.191 4.320 -0.004 0.000 0.214 134 A C 1.880 179.493 177.584 0.049 0.000 1.151 134 A CA 1.200 53.264 52.037 0.045 0.000 0.735 134 A CB -0.236 18.782 19.000 0.029 0.000 0.802 134 A HN 0.365 nan 8.150 nan 0.000 0.467 135 E N 0.051 120.288 120.200 0.062 0.000 2.077 135 E HA -0.277 4.070 4.350 -0.004 0.000 0.193 135 E C 2.126 178.781 176.600 0.093 0.000 0.989 135 E CA 1.491 57.939 56.400 0.079 0.000 0.800 135 E CB -0.107 29.640 29.700 0.078 0.000 0.746 135 E HN 0.389 nan 8.360 nan 0.000 0.452 136 R N 0.698 121.250 120.500 0.087 0.000 2.153 136 R HA 0.063 4.400 4.340 -0.004 0.000 0.218 136 R C 2.290 178.658 176.300 0.113 0.000 1.072 136 R CA 0.783 56.941 56.100 0.097 0.000 0.990 136 R CB -0.547 29.811 30.300 0.096 0.000 0.889 136 R HN 0.290 nan 8.270 nan 0.000 0.452 137 L N -0.981 120.307 121.223 0.109 0.000 2.201 137 L HA 0.038 4.375 4.340 -0.004 0.000 0.212 137 L C 1.845 178.768 176.870 0.088 0.000 1.105 137 L CA 1.475 56.390 54.840 0.125 0.000 0.775 137 L CB -0.404 41.700 42.059 0.076 0.000 0.913 137 L HN 0.425 nan 8.230 nan 0.000 0.440 138 G N -0.808 108.033 108.800 0.068 0.000 2.887 138 G HA2 0.245 4.202 3.960 -0.004 0.000 0.211 138 G HA3 0.245 4.202 3.960 -0.004 0.000 0.211 138 G C 0.677 175.657 174.900 0.134 0.000 1.152 138 G CA 0.337 45.470 45.100 0.055 0.000 0.769 138 G HN 0.305 nan 8.290 nan 0.000 0.541 139 A N 0.538 123.445 122.820 0.145 0.000 2.488 139 A HA 0.508 4.825 4.320 -0.004 0.000 0.249 139 A C 0.296 177.944 177.584 0.107 0.000 1.083 139 A CA -0.111 52.015 52.037 0.148 0.000 0.768 139 A CB 0.566 19.623 19.000 0.095 0.000 1.017 139 A HN 0.174 nan 8.150 nan 0.000 0.496 140 V N 3.131 123.093 119.914 0.080 0.000 2.686 140 V HA 0.106 4.223 4.120 -0.004 0.000 0.295 140 V C 0.420 176.523 176.094 0.016 0.000 1.055 140 V CA -0.217 62.110 62.300 0.044 0.000 1.050 140 V CB 1.414 33.243 31.823 0.009 0.000 0.984 140 V HN 0.936 nan 8.190 nan 0.000 0.482 141 D N 3.232 123.649 120.400 0.028 0.000 2.317 141 D HA 0.214 4.852 4.640 -0.004 0.000 0.234 141 D C 0.605 176.917 176.300 0.019 0.000 1.112 141 D CA -0.224 53.791 54.000 0.024 0.000 0.840 141 D CB 1.471 42.294 40.800 0.038 0.000 1.078 141 D HN 0.645 nan 8.370 nan 0.000 0.486 142 E N 1.037 121.239 120.200 0.002 0.000 2.474 142 E HA 0.056 4.404 4.350 -0.004 0.000 0.194 142 E C 0.224 176.834 176.600 0.016 0.000 1.041 142 E CA -0.103 56.295 56.400 -0.002 0.000 0.874 142 E CB 0.367 30.045 29.700 -0.035 0.000 0.914 142 E HN 0.337 nan 8.360 nan 0.000 0.498 143 S N 1.358 117.072 115.700 0.023 0.000 2.702 143 S HA -0.022 4.445 4.470 -0.004 0.000 0.314 143 S C -0.069 174.563 174.600 0.053 0.000 1.244 143 S CA 0.528 58.745 58.200 0.028 0.000 1.058 143 S CB 0.160 63.380 63.200 0.033 0.000 0.783 143 S HN 0.178 nan 8.310 nan 0.000 0.503 144 L N 2.773 124.007 121.223 0.018 0.000 2.438 144 L HA 0.398 4.736 4.340 -0.004 0.000 0.270 144 L C 0.518 177.365 176.870 -0.039 0.000 0.972 144 L CA -0.717 54.120 54.840 -0.005 0.000 0.831 144 L CB 2.097 44.115 42.059 -0.069 0.000 1.273 144 L HN 0.745 nan 8.230 nan 0.000 0.405 145 S N 1.102 116.780 115.700 -0.036 0.000 2.576 145 S HA 0.092 4.559 4.470 -0.004 0.000 0.272 145 S C 0.861 175.404 174.600 -0.094 0.000 1.352 145 S CA -0.294 57.877 58.200 -0.048 0.000 1.021 145 S CB 0.872 64.056 63.200 -0.027 0.000 0.887 145 S HN 0.732 nan 8.310 nan 0.000 0.542 146 E N 1.444 121.597 120.200 -0.079 0.000 2.077 146 E HA -0.196 4.152 4.350 -0.004 0.000 0.193 146 E C 1.875 178.398 176.600 -0.129 0.000 0.989 146 E CA 1.730 58.073 56.400 -0.095 0.000 0.800 146 E CB -0.269 29.390 29.700 -0.069 0.000 0.746 146 E HN 0.804 nan 8.360 nan 0.000 0.452 147 E N 0.484 120.614 120.200 -0.116 0.000 2.038 147 E HA -0.162 4.185 4.350 -0.004 0.000 0.195 147 E C 2.196 178.662 176.600 -0.224 0.000 1.000 147 E CA 1.900 58.220 56.400 -0.133 0.000 0.803 147 E CB -0.565 29.083 29.700 -0.088 0.000 0.750 147 E HN 0.166 nan 8.360 nan 0.000 0.448 148 T N 1.128 115.523 114.554 -0.265 0.000 2.708 148 T HA -0.210 4.138 4.350 -0.004 0.000 0.266 148 T C 1.829 176.210 174.700 -0.531 0.000 1.037 148 T CA 1.487 63.306 62.100 -0.469 0.000 1.146 148 T CB -0.338 68.203 68.868 -0.545 0.000 0.865 148 T HN 0.188 nan 8.240 nan 0.000 0.435 149 Q N 0.799 120.384 119.800 -0.358 0.000 2.077 149 Q HA -0.155 4.183 4.340 -0.004 0.000 0.206 149 Q C 2.543 178.342 176.000 -0.335 0.000 0.989 149 Q CA 1.340 56.956 55.803 -0.311 0.000 0.853 149 Q CB -0.192 28.431 28.738 -0.193 0.000 0.907 149 Q HN 0.469 nan 8.270 nan 0.000 0.418 150 K N 0.213 120.444 120.400 -0.281 0.000 2.026 150 K HA -0.126 4.191 4.320 -0.004 0.000 0.208 150 K C 2.165 178.545 176.600 -0.366 0.000 1.048 150 K CA 1.127 57.263 56.287 -0.253 0.000 0.929 150 K CB -0.270 32.126 32.500 -0.173 0.000 0.713 150 K HN 0.165 nan 8.250 nan 0.000 0.439 151 A N 1.571 124.103 122.820 -0.480 0.000 1.940 151 A HA -0.160 4.157 4.320 -0.004 0.000 0.219 151 A C 2.360 179.139 177.584 -1.341 0.000 1.176 151 A CA 2.056 53.675 52.037 -0.697 0.000 0.631 151 A CB -0.918 17.719 19.000 -0.605 0.000 0.814 151 A HN 0.260 nan 8.150 nan 0.000 0.446 152 V N -1.928 117.166 119.914 -1.366 0.000 2.759 152 V HA -0.132 3.986 4.120 -0.004 0.000 0.256 152 V C 2.110 177.805 176.094 -0.664 0.000 1.080 152 V CA 1.943 63.363 62.300 -1.465 0.000 1.101 152 V CB -0.725 30.351 31.823 -1.245 0.000 0.698 152 V HN 0.440 nan 8.190 nan 0.000 0.477 153 L N -0.227 120.732 121.223 -0.439 0.000 2.072 153 L HA -0.117 4.220 4.340 -0.004 0.000 0.205 153 L C 3.016 179.841 176.870 -0.075 0.000 1.079 153 L CA 1.943 56.672 54.840 -0.186 0.000 0.752 153 L CB -0.698 41.277 42.059 -0.140 0.000 0.906 153 L HN 0.312 nan 8.230 nan 0.000 0.436 154 Q N -0.572 119.173 119.800 -0.092 0.000 2.096 154 Q HA -0.254 4.084 4.340 -0.004 0.000 0.208 154 Q C 2.124 178.360 176.000 0.393 0.000 0.993 154 Q CA 2.062 57.955 55.803 0.149 0.000 0.862 154 Q CB -0.326 28.512 28.738 0.168 0.000 0.915 154 Q HN 0.538 nan 8.270 nan 0.000 0.416 155 W N 0.392 121.730 121.300 0.064 0.000 2.358 155 W HA -0.082 4.577 4.660 -0.003 0.000 0.303 155 W C 2.337 178.955 176.519 0.165 0.000 1.208 155 W CA 1.239 58.652 57.345 0.112 0.000 1.274 155 W CB -1.465 27.932 29.460 -0.105 0.000 1.138 155 W HN 0.147 nan 8.180 nan 0.000 0.515 156 T N 0.869 115.595 114.554 0.287 0.000 2.708 156 T HA -0.191 4.156 4.350 -0.004 0.000 0.266 156 T C 1.768 176.584 174.700 0.193 0.000 1.037 156 T CA 1.882 64.111 62.100 0.214 0.000 1.146 156 T CB -0.296 68.645 68.868 0.122 0.000 0.865 156 T HN 0.138 nan 8.240 nan 0.000 0.435 157 K N 0.302 120.808 120.400 0.177 0.000 2.009 157 K HA -0.186 4.131 4.320 -0.004 0.000 0.210 157 K C 2.312 179.001 176.600 0.149 0.000 1.049 157 K CA 1.846 58.212 56.287 0.133 0.000 0.929 157 K CB -0.389 32.180 32.500 0.115 0.000 0.714 157 K HN 0.520 nan 8.250 nan 0.000 0.440 158 H N 1.207 120.351 119.070 0.123 0.000 2.352 158 H HA -0.127 4.427 4.556 -0.005 0.000 0.299 158 H C 1.358 176.720 175.328 0.056 0.000 1.097 158 H CA 2.027 58.095 56.048 0.035 0.000 1.311 158 H CB 0.134 29.903 29.762 0.012 0.000 1.377 158 H HN 0.177 nan 8.280 nan 0.000 0.504 159 D N 0.091 120.690 120.400 0.332 0.000 2.224 159 D HA -0.115 4.522 4.640 -0.004 0.000 0.205 159 D C 1.555 177.923 176.300 0.113 0.000 0.965 159 D CA 0.802 54.949 54.000 0.245 0.000 0.852 159 D CB -0.255 40.717 40.800 0.287 0.000 0.947 159 D HN 0.487 nan 8.370 nan 0.000 0.494 160 D N -0.022 120.432 120.400 0.090 0.000 2.178 160 D HA -0.093 4.545 4.640 -0.004 0.000 0.202 160 D C 1.967 178.262 176.300 -0.008 0.000 0.974 160 D CA 1.084 55.111 54.000 0.045 0.000 0.841 160 D CB -0.005 40.823 40.800 0.045 0.000 0.953 160 D HN 0.248 nan 8.370 nan 0.000 0.478 161 S N -0.781 114.887 115.700 -0.054 0.000 2.535 161 S HA 0.092 4.559 4.470 -0.004 0.000 0.214 161 S C 1.064 175.592 174.600 -0.121 0.000 0.980 161 S CA -0.291 57.856 58.200 -0.088 0.000 0.907 161 S CB 0.276 63.414 63.200 -0.103 0.000 0.790 161 S HN 0.091 nan 8.310 nan 0.000 0.510 162 S N 1.795 117.411 115.700 -0.139 0.000 2.647 162 S HA 0.372 4.840 4.470 -0.004 0.000 0.284 162 S C -0.056 174.477 174.600 -0.111 0.000 1.134 162 S CA -0.621 57.495 58.200 -0.140 0.000 1.027 162 S CB -0.029 63.056 63.200 -0.191 0.000 1.180 162 S HN 0.202 nan 8.310 nan 0.000 0.521 163 D N 1.122 121.440 120.400 -0.137 0.000 2.387 163 D HA 0.028 4.666 4.640 -0.004 0.000 0.257 163 D C -0.681 175.367 176.300 -0.420 0.000 1.198 163 D CA 0.449 54.320 54.000 -0.216 0.000 0.945 163 D CB -1.259 39.403 40.800 -0.229 0.000 0.907 163 D HN 0.349 nan 8.370 nan 0.000 0.518 164 N N 0.331 118.887 118.700 -0.240 0.000 2.426 164 N HA 0.205 4.942 4.740 -0.004 0.000 0.275 164 N C 0.299 175.772 175.510 -0.062 0.000 1.019 164 N CA -0.519 52.461 53.050 -0.117 0.000 0.941 164 N CB 0.517 39.086 38.487 0.136 0.000 1.123 164 N HN -0.104 nan 8.380 nan 0.000 0.486 174 P HA 0.384 nan 4.420 nan 0.000 0.271 174 P C 0.648 177.907 177.300 -0.069 0.000 1.244 174 P CA -0.180 62.887 63.100 -0.056 0.000 0.793 174 P CB 0.633 32.297 31.700 -0.061 0.000 0.984 175 E N -0.425 119.730 120.200 -0.076 0.000 2.418 175 E HA 0.094 4.442 4.350 -0.004 0.000 0.197 175 E C 0.541 177.077 176.600 -0.108 0.000 1.026 175 E CA 0.249 56.597 56.400 -0.086 0.000 0.862 175 E CB -0.503 29.147 29.700 -0.083 0.000 0.799 175 E HN 0.590 nan 8.360 nan 0.000 0.518 176 A N 1.182 123.929 122.820 -0.122 0.000 2.347 176 A HA 0.304 4.622 4.320 -0.004 0.000 0.287 176 A C -0.401 177.068 177.584 -0.190 0.000 1.199 176 A CA -0.166 51.766 52.037 -0.174 0.000 0.851 176 A CB 0.119 19.002 19.000 -0.194 0.000 1.118 176 A HN 0.095 nan 8.150 nan 0.000 0.525 177 E N 1.208 121.282 120.200 -0.211 0.000 2.312 177 E HA 0.386 4.734 4.350 -0.004 0.000 0.267 177 E C -1.609 174.851 176.600 -0.233 0.000 0.894 177 E CA -0.713 55.587 56.400 -0.167 0.000 0.773 177 E CB 1.404 31.048 29.700 -0.092 0.000 1.241 177 E HN 0.641 nan 8.360 nan 0.000 0.432 178 Y N 0.794 121.038 120.300 -0.093 0.000 2.526 178 Y HA 0.154 4.701 4.550 -0.005 0.000 0.330 178 Y C 0.134 176.042 175.900 0.014 0.000 1.156 178 Y CA -0.004 58.074 58.100 -0.038 0.000 1.419 178 Y CB 0.595 39.021 38.460 -0.057 0.000 1.250 178 Y HN 0.174 nan 8.280 nan 0.000 0.540 179 V N 3.638 123.659 119.914 0.178 0.000 2.581 179 V HA 0.150 4.268 4.120 -0.004 0.000 0.303 179 V C -0.465 175.783 176.094 0.257 0.000 1.041 179 V CA -1.071 61.325 62.300 0.160 0.000 0.907 179 V CB 1.935 33.777 31.823 0.033 0.000 0.994 179 V HN 0.605 nan 8.190 nan 0.000 0.442 180 D N 3.264 123.791 120.400 0.212 0.000 2.365 180 D HA 0.245 4.883 4.640 -0.004 0.000 0.237 180 D C 0.986 177.280 176.300 -0.010 0.000 1.190 180 D CA -0.040 53.995 54.000 0.059 0.000 0.867 180 D CB 1.123 41.998 40.800 0.125 0.000 1.050 180 D HN 0.438 nan 8.370 nan 0.000 0.491 181 L N 3.378 124.572 121.223 -0.047 0.000 2.265 181 L HA -0.118 4.220 4.340 -0.004 0.000 0.215 181 L C 2.155 179.096 176.870 0.118 0.000 1.117 181 L CA 0.551 55.418 54.840 0.045 0.000 0.782 181 L CB -0.141 41.960 42.059 0.069 0.000 0.914 181 L HN 0.478 nan 8.230 nan 0.000 0.441 182 L N -0.581 120.648 121.223 0.010 0.000 2.313 182 L HA -0.103 4.235 4.340 -0.004 0.000 0.214 182 L C 1.982 178.873 176.870 0.034 0.000 1.119 182 L CA 0.737 55.590 54.840 0.022 0.000 0.809 182 L CB -0.124 41.916 42.059 -0.033 0.000 0.933 182 L HN 0.322 nan 8.230 nan 0.000 0.449 183 L N -0.588 120.658 121.223 0.038 0.000 2.591 183 L HA 0.071 4.409 4.340 -0.004 0.000 0.228 183 L C 0.274 177.183 176.870 0.066 0.000 1.133 183 L CA 0.247 55.113 54.840 0.043 0.000 0.880 183 L CB -0.100 41.986 42.059 0.044 0.000 1.033 183 L HN 0.270 nan 8.230 nan 0.000 0.450 184 N N 0.464 119.239 118.700 0.125 0.000 2.703 184 N HA 0.232 4.969 4.740 -0.004 0.000 0.283 184 N C -2.624 173.121 175.510 0.391 0.000 1.851 184 N CA -0.820 52.353 53.050 0.204 0.000 0.826 184 N CB 1.250 39.839 38.487 0.170 0.000 1.239 184 N HN -0.017 nan 8.380 nan 0.000 0.495 185 P HA 0.041 nan 4.420 nan 0.000 0.272 185 P C -0.117 177.153 177.300 -0.050 0.000 1.223 185 P CA 0.027 63.178 63.100 0.085 0.000 0.784 185 P CB 1.428 33.094 31.700 -0.057 0.000 0.923 186 E N 2.431 122.320 120.200 -0.519 0.000 2.290 186 E HA 0.183 4.530 4.350 -0.004 0.000 0.277 186 E C 0.133 176.605 176.600 -0.213 0.000 1.035 186 E CA -0.358 55.629 56.400 -0.688 0.000 0.873 186 E CB 0.363 29.226 29.700 -1.395 0.000 1.029 186 E HN 0.419 nan 8.360 nan 0.000 0.419 187 R N 2.795 123.255 120.500 -0.067 0.000 2.826 187 R HA 0.130 4.467 4.340 -0.004 0.000 0.269 187 R C -1.182 175.237 176.300 0.198 0.000 1.031 187 R CA -0.983 55.161 56.100 0.074 0.000 0.900 187 R CB 0.119 30.383 30.300 -0.060 0.000 1.318 187 R HN 0.430 nan 8.270 nan 0.000 0.447 188 Y N 1.729 122.163 120.300 0.223 0.000 2.805 188 Y HA -0.011 4.536 4.550 -0.004 0.000 0.331 188 Y C 0.767 176.812 175.900 0.241 0.000 1.241 188 Y CA 1.680 59.900 58.100 0.200 0.000 1.546 188 Y CB 0.753 39.208 38.460 -0.009 0.000 1.248 188 Y HN 0.745 nan 8.280 nan 0.000 0.559 189 T N 1.283 115.549 114.554 -0.480 0.000 3.091 189 T HA 0.300 4.647 4.350 -0.004 0.000 0.277 189 T C 1.203 175.574 174.700 -0.548 0.000 0.996 189 T CA 0.117 62.012 62.100 -0.341 0.000 0.897 189 T CB -0.225 68.587 68.868 -0.093 0.000 1.109 189 T HN 1.380 nan 8.240 nan 0.000 0.534 190 G N 1.264 109.342 108.800 -1.204 0.000 2.166 190 G HA2 -0.324 3.633 3.960 -0.004 0.000 0.260 190 G HA3 -0.324 3.633 3.960 -0.004 0.000 0.260 190 G C -0.163 174.702 174.900 -0.059 0.000 0.986 190 G CA 0.265 45.074 45.100 -0.486 0.000 0.683 190 G HN 0.741 nan 8.290 nan 0.000 0.527 191 Y N 2.250 122.452 120.300 -0.164 0.000 2.436 191 Y HA 0.505 5.052 4.550 -0.004 0.000 0.336 191 Y C 0.677 176.574 175.900 -0.004 0.000 1.049 191 Y CA -0.231 57.827 58.100 -0.070 0.000 1.294 191 Y CB 0.295 38.725 38.460 -0.049 0.000 1.179 191 Y HN 0.600 nan 8.280 nan 0.000 0.520 192 K N 3.647 123.872 120.400 -0.292 0.000 2.556 192 K HA 0.784 5.101 4.320 -0.004 0.000 0.289 192 K C -0.091 176.162 176.600 -0.579 0.000 1.040 192 K CA -0.691 55.415 56.287 -0.302 0.000 0.894 192 K CB 0.984 33.442 32.500 -0.071 0.000 1.547 192 K HN 0.978 nan 8.250 nan 0.000 0.417 193 G N 0.098 108.383 108.800 -0.859 0.000 2.642 193 G HA2 -0.193 3.764 3.960 -0.004 0.000 0.231 193 G HA3 -0.193 3.764 3.960 -0.004 0.000 0.231 193 G C -2.118 171.757 174.900 -1.709 0.000 1.338 193 G CA -0.178 44.121 45.100 -1.335 0.000 0.883 193 G HN 0.457 nan 8.290 nan 0.000 0.570 194 P HA 0.037 nan 4.420 nan 0.000 0.218 194 P C 1.220 178.321 177.300 -0.332 0.000 1.149 194 P CA 1.692 64.468 63.100 -0.540 0.000 0.817 194 P CB -0.053 31.516 31.700 -0.219 0.000 0.785 195 D N -0.835 119.346 120.400 -0.364 0.000 2.144 195 D HA -0.104 4.533 4.640 -0.004 0.000 0.199 195 D C 1.987 178.104 176.300 -0.305 0.000 0.984 195 D CA 1.502 55.374 54.000 -0.213 0.000 0.834 195 D CB -0.710 40.024 40.800 -0.109 0.000 0.955 195 D HN 0.065 nan 8.370 nan 0.000 0.465 196 A N 0.428 122.859 122.820 -0.648 0.000 1.898 196 A HA -0.097 4.220 4.320 -0.004 0.000 0.214 196 A C 1.872 179.471 177.584 0.025 0.000 1.183 196 A CA 0.670 52.372 52.037 -0.559 0.000 0.622 196 A CB -0.943 17.629 19.000 -0.714 0.000 0.824 196 A HN 0.202 nan 8.150 nan 0.000 0.444 197 W N 0.743 122.059 121.300 0.025 0.000 2.321 197 W HA -0.198 4.460 4.660 -0.004 0.000 0.306 197 W C 2.184 178.764 176.519 0.102 0.000 1.217 197 W CA 1.384 58.802 57.345 0.122 0.000 1.257 197 W CB -1.059 28.438 29.460 0.062 0.000 1.145 197 W HN 0.478 nan 8.180 nan 0.000 0.509 198 K N 0.207 120.729 120.400 0.203 0.000 2.057 198 K HA -0.171 4.146 4.320 -0.004 0.000 0.207 198 K C 1.816 178.491 176.600 0.126 0.000 1.049 198 K CA 1.589 57.931 56.287 0.092 0.000 0.931 198 K CB -0.302 32.152 32.500 -0.078 0.000 0.714 198 K HN -0.098 nan 8.250 nan 0.000 0.440 199 I N 0.203 120.845 120.570 0.119 0.000 2.179 199 I HA -0.255 3.912 4.170 -0.004 0.000 0.242 199 I C 2.062 178.185 176.117 0.010 0.000 1.088 199 I CA 1.382 62.721 61.300 0.065 0.000 1.357 199 I CB -1.373 36.601 38.000 -0.042 0.000 1.051 199 I HN 0.375 nan 8.210 nan 0.000 0.409 200 W N 1.531 122.926 121.300 0.159 0.000 2.338 200 W HA -0.214 4.444 4.660 -0.004 0.000 0.304 200 W C 2.622 179.326 176.519 0.308 0.000 1.212 200 W CA 0.690 58.137 57.345 0.170 0.000 1.264 200 W CB -0.531 29.018 29.460 0.148 0.000 1.142 200 W HN 0.178 nan 8.180 nan 0.000 0.512 201 N N 0.249 119.222 118.700 0.455 0.000 2.043 201 N HA -0.183 4.554 4.740 -0.004 0.000 0.193 201 N C 1.644 177.321 175.510 0.278 0.000 1.037 201 N CA 1.941 55.188 53.050 0.328 0.000 0.851 201 N CB -1.172 37.428 38.487 0.189 0.000 1.027 201 N HN -0.006 nan 8.380 nan 0.000 0.422 202 V N 1.655 121.683 119.914 0.189 0.000 2.407 202 V HA -0.161 3.956 4.120 -0.004 0.000 0.248 202 V C 2.217 178.385 176.094 0.124 0.000 1.055 202 V CA 1.094 63.466 62.300 0.120 0.000 1.049 202 V CB -0.401 31.482 31.823 0.100 0.000 0.662 202 V HN 0.231 nan 8.190 nan 0.000 0.455 203 I N -1.397 119.259 120.570 0.142 0.000 2.252 203 I HA -0.254 3.913 4.170 -0.004 0.000 0.245 203 I C 2.326 178.527 176.117 0.139 0.000 1.102 203 I CA 1.795 63.147 61.300 0.085 0.000 1.385 203 I CB -0.427 37.565 38.000 -0.014 0.000 1.064 203 I HN 0.253 nan 8.210 nan 0.000 0.414 204 Y N 1.103 121.558 120.300 0.259 0.000 2.224 204 Y HA -0.204 4.343 4.550 -0.004 0.000 0.289 204 Y C 2.318 178.358 175.900 0.234 0.000 1.146 204 Y CA 1.216 59.486 58.100 0.283 0.000 1.182 204 Y CB -0.313 38.310 38.460 0.273 0.000 0.983 204 Y HN 0.193 nan 8.280 nan 0.000 0.524 205 E N -0.092 120.274 120.200 0.277 0.000 2.478 205 E HA -0.129 4.218 4.350 -0.004 0.000 0.198 205 E C 1.451 178.060 176.600 0.014 0.000 1.046 205 E CA 0.260 56.738 56.400 0.129 0.000 0.870 205 E CB -0.001 29.744 29.700 0.075 0.000 0.818 205 E HN 0.372 nan 8.360 nan 0.000 0.527 206 E N 0.939 121.142 120.200 0.007 0.000 2.516 206 E HA -0.073 4.275 4.350 -0.004 0.000 0.199 206 E C 0.322 176.414 176.600 -0.848 0.000 1.069 206 E CA 0.194 56.437 56.400 -0.261 0.000 0.876 206 E CB -0.243 29.377 29.700 -0.133 0.000 0.843 206 E HN 0.102 nan 8.360 nan 0.000 0.530 207 N N 1.094 119.550 118.700 -0.408 0.000 2.605 207 N HA -0.072 4.666 4.740 -0.004 0.000 0.282 207 N C -1.307 173.906 175.510 -0.495 0.000 1.206 207 N CA 0.107 52.849 53.050 -0.513 0.000 1.074 207 N CB -0.511 38.124 38.487 0.246 0.000 1.434 207 N HN -0.026 nan 8.380 nan 0.000 0.506 208 c N 6.178 124.180 118.600 -0.996 0.000 3.123 208 c HA 0.526 5.094 4.570 -0.004 0.000 0.284 208 c C -1.223 172.531 174.090 -0.559 0.000 1.076 208 c CA -0.896 55.133 56.329 -0.500 0.000 1.416 208 c CB -1.680 40.662 42.510 -0.280 0.000 1.841 208 c HN 0.404 nan 8.230 nan 0.000 0.501 209 F N 3.323 123.191 119.950 -0.137 0.000 2.458 209 F HA 0.561 5.085 4.527 -0.004 0.000 0.330 209 F C 0.777 176.525 175.800 -0.086 0.000 1.082 209 F CA -0.605 57.316 58.000 -0.132 0.000 0.995 209 F CB 1.351 40.223 39.000 -0.213 0.000 1.170 209 F HN 0.287 nan 8.300 nan 0.000 0.478 210 K N 3.014 123.465 120.400 0.086 0.000 2.270 210 K HA 0.348 4.665 4.320 -0.004 0.000 0.276 210 K C -2.361 174.279 176.600 0.066 0.000 1.023 210 K CA -1.400 54.914 56.287 0.046 0.000 0.955 210 K CB 0.245 32.756 32.500 0.018 0.000 0.975 210 K HN 0.310 nan 8.250 nan 0.000 0.471 240 L N 1.086 122.299 121.223 -0.015 0.000 2.365 240 L HA 0.532 4.869 4.340 -0.004 0.000 0.273 240 L C 0.009 176.868 176.870 -0.018 0.000 1.000 240 L CA -1.154 53.676 54.840 -0.017 0.000 0.819 240 L CB 2.091 44.143 42.059 -0.011 0.000 1.284 240 L HN -0.013 nan 8.230 nan 0.000 0.418 241 c N 2.778 121.361 118.600 -0.029 0.000 2.576 241 c HA 0.415 4.982 4.570 -0.004 0.000 0.401 241 c C 0.706 174.792 174.090 -0.007 0.000 1.314 241 c CA -0.904 55.405 56.329 -0.034 0.000 1.855 241 c CB -0.163 42.308 42.510 -0.065 0.000 2.537 241 c HN 0.553 nan 8.230 nan 0.000 0.578 242 V N 1.792 121.721 119.914 0.026 0.000 2.630 242 V HA 0.603 4.720 4.120 -0.004 0.000 0.305 242 V C -0.122 176.034 176.094 0.103 0.000 1.046 242 V CA -0.626 61.702 62.300 0.048 0.000 0.934 242 V CB 1.618 33.468 31.823 0.046 0.000 1.003 242 V HN 0.923 nan 8.190 nan 0.000 0.451 243 E N 3.143 123.401 120.200 0.097 0.000 2.152 243 E HA 0.361 4.709 4.350 -0.004 0.000 0.285 243 E C -0.626 176.097 176.600 0.206 0.000 1.043 243 E CA -0.873 55.627 56.400 0.167 0.000 0.839 243 E CB 1.038 30.819 29.700 0.135 0.000 1.069 243 E HN 0.510 nan 8.360 nan 0.000 0.399 244 K N 2.739 123.309 120.400 0.283 0.000 2.355 244 K HA 0.044 4.362 4.320 -0.004 0.000 0.270 244 K C 0.834 177.609 176.600 0.292 0.000 1.003 244 K CA -0.162 56.239 56.287 0.190 0.000 0.957 244 K CB 0.985 33.456 32.500 -0.048 0.000 0.939 244 K HN 0.581 nan 8.250 nan 0.000 0.482 245 R N 1.479 122.129 120.500 0.249 0.000 2.115 245 R HA -0.075 4.262 4.340 -0.004 0.000 0.226 245 R C 1.643 178.137 176.300 0.323 0.000 1.100 245 R CA 1.411 57.655 56.100 0.239 0.000 0.980 245 R CB 0.022 30.405 30.300 0.139 0.000 0.875 245 R HN 0.679 nan 8.270 nan 0.000 0.445 246 A N 0.275 123.325 122.820 0.384 0.000 1.897 246 A HA -0.162 4.156 4.320 -0.004 0.000 0.215 246 A C 1.901 179.852 177.584 0.610 0.000 1.181 246 A CA 0.867 53.191 52.037 0.478 0.000 0.620 246 A CB -0.660 18.720 19.000 0.634 0.000 0.821 246 A HN 0.428 nan 8.150 nan 0.000 0.443 247 F N -0.546 119.710 119.950 0.511 0.000 2.095 247 F HA -0.240 4.284 4.527 -0.004 0.000 0.298 247 F C 2.134 178.179 175.800 0.409 0.000 1.104 247 F CA 2.095 60.419 58.000 0.542 0.000 1.232 247 F CB -0.638 38.673 39.000 0.518 0.000 0.987 247 F HN 0.394 nan 8.300 nan 0.000 0.475 248 Y N 1.450 121.976 120.300 0.377 0.000 2.102 248 Y HA -0.289 4.259 4.550 -0.004 0.000 0.280 248 Y C 2.554 178.570 175.900 0.194 0.000 1.178 248 Y CA 2.298 60.565 58.100 0.277 0.000 1.146 248 Y CB -0.604 38.020 38.460 0.273 0.000 0.968 248 Y HN 0.018 nan 8.280 nan 0.000 0.504 249 R N -0.210 120.329 120.500 0.065 0.000 2.092 249 R HA -0.111 4.226 4.340 -0.004 0.000 0.231 249 R C 2.318 178.673 176.300 0.091 0.000 1.119 249 R CA 1.589 57.667 56.100 -0.036 0.000 0.970 249 R CB -0.505 29.663 30.300 -0.221 0.000 0.864 249 R HN 0.400 nan 8.270 nan 0.000 0.440 250 L N 0.524 121.881 121.223 0.222 0.000 1.994 250 L HA -0.213 4.124 4.340 -0.004 0.000 0.208 250 L C 2.379 179.285 176.870 0.060 0.000 1.071 250 L CA 1.032 56.014 54.840 0.236 0.000 0.745 250 L CB -0.519 41.734 42.059 0.324 0.000 0.892 250 L HN 0.118 nan 8.230 nan 0.000 0.431 251 I N -0.321 120.158 120.570 -0.152 0.000 2.163 251 I HA -0.324 3.844 4.170 -0.004 0.000 0.243 251 I C 2.839 178.878 176.117 -0.130 0.000 1.085 251 I CA 1.718 62.880 61.300 -0.231 0.000 1.347 251 I CB -1.452 36.167 38.000 -0.634 0.000 1.044 251 I HN 0.272 nan 8.210 nan 0.000 0.408 252 S N 0.792 116.395 115.700 -0.160 0.000 2.400 252 S HA -0.134 4.334 4.470 -0.004 0.000 0.232 252 S C 2.094 176.697 174.600 0.005 0.000 1.025 252 S CA 1.625 59.779 58.200 -0.077 0.000 0.993 252 S CB -0.566 62.420 63.200 -0.357 0.000 0.808 252 S HN 0.568 nan 8.310 nan 0.000 0.478 253 G N 0.818 109.646 108.800 0.047 0.000 2.430 253 G HA2 -0.021 3.937 3.960 -0.004 0.000 0.216 253 G HA3 -0.021 3.937 3.960 -0.004 0.000 0.216 253 G C 1.327 176.293 174.900 0.110 0.000 1.146 253 G CA 0.832 45.992 45.100 0.099 0.000 0.793 253 G HN 0.509 nan 8.290 nan 0.000 0.537 254 L N -0.161 121.141 121.223 0.130 0.000 2.044 254 L HA 0.135 4.472 4.340 -0.004 0.000 0.205 254 L C 2.362 179.375 176.870 0.239 0.000 1.075 254 L CA 2.295 57.246 54.840 0.185 0.000 0.747 254 L CB -1.138 41.053 42.059 0.220 0.000 0.903 254 L HN 0.431 nan 8.230 nan 0.000 0.435 255 H N -0.749 118.311 119.070 -0.017 0.000 2.321 255 H HA -0.243 4.310 4.556 -0.004 0.000 0.295 255 H C 2.033 177.340 175.328 -0.036 0.000 1.102 255 H CA 1.291 57.157 56.048 -0.302 0.000 1.266 255 H CB 0.224 29.541 29.762 -0.741 0.000 1.363 255 H HN 0.545 nan 8.280 nan 0.000 0.492 256 A N -0.343 122.546 122.820 0.114 0.000 1.902 256 A HA -0.199 4.119 4.320 -0.004 0.000 0.217 256 A C 2.574 180.273 177.584 0.191 0.000 1.181 256 A CA 1.757 53.899 52.037 0.175 0.000 0.623 256 A CB -1.000 18.071 19.000 0.119 0.000 0.818 256 A HN 0.497 nan 8.150 nan 0.000 0.443 257 S N -0.422 115.367 115.700 0.150 0.000 2.368 257 S HA -0.139 4.329 4.470 -0.004 0.000 0.225 257 S C 1.926 176.690 174.600 0.274 0.000 1.030 257 S CA 1.443 59.742 58.200 0.165 0.000 0.999 257 S CB -0.552 62.721 63.200 0.122 0.000 0.844 257 S HN 0.472 nan 8.310 nan 0.000 0.459 258 I N 1.925 122.644 120.570 0.248 0.000 2.127 258 I HA -0.231 3.936 4.170 -0.004 0.000 0.241 258 I C 2.158 178.493 176.117 0.364 0.000 1.075 258 I CA 1.463 62.928 61.300 0.274 0.000 1.334 258 I CB -0.507 37.736 38.000 0.405 0.000 1.040 258 I HN 0.319 nan 8.210 nan 0.000 0.405 259 N N 0.223 119.160 118.700 0.395 0.000 2.309 259 N HA -0.104 4.634 4.740 -0.004 0.000 0.182 259 N C 1.777 177.594 175.510 0.512 0.000 1.018 259 N CA 0.895 54.200 53.050 0.425 0.000 0.876 259 N CB -0.343 38.338 38.487 0.324 0.000 0.972 259 N HN 0.184 nan 8.380 nan 0.000 0.434 260 V N 0.437 120.611 119.914 0.434 0.000 2.379 260 V HA -0.190 3.927 4.120 -0.004 0.000 0.245 260 V C 1.793 178.090 176.094 0.339 0.000 1.044 260 V CA 1.498 64.002 62.300 0.341 0.000 1.036 260 V CB -0.545 31.337 31.823 0.097 0.000 0.664 260 V HN 0.275 nan 8.190 nan 0.000 0.453 261 H N 0.458 119.640 119.070 0.185 0.000 2.352 261 H HA -0.157 4.397 4.556 -0.004 0.000 0.299 261 H C 2.019 177.468 175.328 0.201 0.000 1.097 261 H CA 2.222 58.343 56.048 0.122 0.000 1.311 261 H CB -0.359 29.416 29.762 0.022 0.000 1.377 261 H HN 0.487 nan 8.280 nan 0.000 0.504 262 L N -1.919 119.557 121.223 0.423 0.000 2.156 262 L HA 0.041 4.379 4.340 -0.004 0.000 0.208 262 L C 2.091 179.290 176.870 0.548 0.000 1.095 262 L CA 1.485 56.610 54.840 0.476 0.000 0.770 262 L CB -0.742 41.627 42.059 0.517 0.000 0.914 262 L HN -0.052 nan 8.230 nan 0.000 0.439 263 S N 0.673 116.674 115.700 0.501 0.000 2.368 263 S HA -0.004 4.463 4.470 -0.004 0.000 0.224 263 S C 2.163 177.073 174.600 0.516 0.000 1.029 263 S CA 1.272 59.772 58.200 0.500 0.000 0.988 263 S CB -0.505 62.982 63.200 0.479 0.000 0.838 263 S HN 0.677 nan 8.310 nan 0.000 0.462 264 A N 1.216 124.269 122.820 0.389 0.000 1.975 264 A HA 0.133 4.450 4.320 -0.004 0.000 0.215 264 A C 1.350 178.734 177.584 -0.333 0.000 1.170 264 A CA 0.421 52.407 52.037 -0.084 0.000 0.656 264 A CB -0.009 18.885 19.000 -0.176 0.000 0.821 264 A HN 0.374 nan 8.150 nan 0.000 0.449 265 R N -0.828 119.691 120.500 0.031 0.000 3.463 265 R HA 0.334 4.671 4.340 -0.004 0.000 0.303 265 R C -1.353 175.232 176.300 0.475 0.000 1.370 265 R CA -0.277 55.912 56.100 0.149 0.000 1.524 265 R CB 0.080 30.417 30.300 0.062 0.000 1.389 265 R HN 0.481 nan 8.270 nan 0.000 0.640 266 Y N 0.823 121.302 120.300 0.297 0.000 2.335 266 Y HA 0.205 4.753 4.550 -0.004 0.000 0.323 266 Y C 0.052 175.987 175.900 0.058 0.000 1.224 266 Y CA -1.170 57.054 58.100 0.206 0.000 1.241 266 Y CB 1.067 39.525 38.460 -0.004 0.000 1.235 266 Y HN 0.202 nan 8.280 nan 0.000 0.492 267 L N 6.681 127.544 121.223 -0.601 0.000 2.462 267 L HA 0.171 4.508 4.340 -0.004 0.000 0.283 267 L C -0.098 176.594 176.870 -0.297 0.000 1.166 267 L CA 0.692 54.986 54.840 -0.908 0.000 0.964 267 L CB -0.684 40.767 42.059 -1.014 0.000 1.294 267 L HN 0.861 nan 8.230 nan 0.000 0.449 268 L N 2.510 123.659 121.223 -0.123 0.000 2.109 268 L HA 0.066 4.404 4.340 -0.004 0.000 0.207 268 L C 0.655 177.490 176.870 -0.058 0.000 1.086 268 L CA 0.769 55.613 54.840 0.006 0.000 0.760 268 L CB -0.200 41.873 42.059 0.024 0.000 0.910 268 L HN 0.616 nan 8.230 nan 0.000 0.437 269 Q N -0.750 118.974 119.800 -0.126 0.000 2.320 269 Q HA 0.362 4.700 4.340 -0.004 0.000 0.272 269 Q C -1.185 174.745 176.000 -0.116 0.000 1.023 269 Q CA -0.275 55.473 55.803 -0.091 0.000 0.855 269 Q CB 2.932 31.640 28.738 -0.051 0.000 1.367 269 Q HN -0.001 nan 8.270 nan 0.000 0.406 270 E N 1.951 122.104 120.200 -0.078 0.000 2.317 270 E HA 0.301 4.648 4.350 -0.004 0.000 0.270 270 E C -1.037 175.552 176.600 -0.017 0.000 0.899 270 E CA -0.222 56.151 56.400 -0.046 0.000 0.814 270 E CB 1.258 30.930 29.700 -0.046 0.000 1.296 270 E HN 0.717 nan 8.360 nan 0.000 0.404 271 T N -0.380 114.181 114.554 0.011 0.000 2.852 271 T HA 0.230 4.577 4.350 -0.004 0.000 0.281 271 T C 1.082 175.880 174.700 0.164 0.000 0.993 271 T CA -0.604 61.502 62.100 0.011 0.000 0.933 271 T CB 0.453 69.329 68.868 0.012 0.000 1.187 271 T HN 0.697 nan 8.240 nan 0.000 0.559 272 W N 0.029 121.337 121.300 0.014 0.000 2.341 272 W HA -0.088 4.570 4.660 -0.003 0.000 0.283 272 W C 1.562 178.095 176.519 0.023 0.000 1.215 272 W CA -0.001 57.355 57.345 0.018 0.000 1.211 272 W CB -0.308 29.162 29.460 0.017 0.000 1.131 272 W HN 0.493 nan 8.180 nan 0.000 0.552 273 L N -1.758 119.627 121.223 0.270 0.000 2.864 273 L HA 0.279 4.617 4.340 -0.004 0.000 0.177 273 L C 0.267 177.212 176.870 0.125 0.000 1.341 273 L CA -0.010 54.931 54.840 0.170 0.000 0.892 273 L CB -0.870 41.274 42.059 0.142 0.000 1.290 273 L HN -0.424 nan 8.230 nan 0.000 0.545 274 E N 0.926 121.185 120.200 0.097 0.000 2.191 274 E HA 0.386 4.733 4.350 -0.004 0.000 0.278 274 E C -1.098 175.537 176.600 0.059 0.000 0.972 274 E CA -0.465 55.983 56.400 0.080 0.000 0.804 274 E CB 1.650 31.391 29.700 0.067 0.000 1.110 274 E HN 0.129 nan 8.360 nan 0.000 0.394 275 K N 2.424 122.867 120.400 0.072 0.000 2.156 275 K HA 0.410 4.728 4.320 -0.004 0.000 0.254 275 K C -0.511 176.104 176.600 0.026 0.000 0.950 275 K CA -0.752 55.539 56.287 0.006 0.000 0.849 275 K CB 1.754 34.277 32.500 0.039 0.000 1.100 275 K HN 0.183 nan 8.250 nan 0.000 0.434 276 K N 2.847 123.188 120.400 -0.099 0.000 2.545 276 K HA 0.265 4.583 4.320 -0.004 0.000 0.252 276 K C -1.654 174.876 176.600 -0.117 0.000 0.948 276 K CA -0.590 55.696 56.287 -0.001 0.000 0.827 276 K CB 0.916 33.424 32.500 0.014 0.000 1.128 276 K HN 0.444 nan 8.250 nan 0.000 0.429 277 W N 2.004 123.344 121.300 0.066 0.000 2.516 277 W HA 0.671 5.328 4.660 -0.005 0.000 0.343 277 W C 0.632 177.185 176.519 0.057 0.000 1.094 277 W CA 0.115 57.501 57.345 0.068 0.000 1.250 277 W CB 2.068 31.562 29.460 0.057 0.000 1.308 277 W HN 0.816 nan 8.180 nan 0.000 0.588 278 G N -0.238 108.739 108.800 0.296 0.000 2.323 278 G HA2 0.142 4.100 3.960 -0.004 0.000 0.291 278 G HA3 0.142 4.100 3.960 -0.004 0.000 0.291 278 G C -2.039 172.917 174.900 0.093 0.000 1.278 278 G CA -1.283 43.915 45.100 0.164 0.000 0.860 278 G HN 0.426 nan 8.290 nan 0.000 0.504 279 H N 0.640 119.737 119.070 0.046 0.000 2.803 279 H HA 0.434 4.987 4.556 -0.004 0.000 0.330 279 H C 0.326 175.731 175.328 0.129 0.000 1.057 279 H CA 0.355 56.421 56.048 0.030 0.000 1.458 279 H CB 0.991 30.599 29.762 -0.256 0.000 1.470 279 H HN 0.388 nan 8.280 nan 0.000 0.560 280 N N 4.239 123.117 118.700 0.297 0.000 2.706 280 N HA 0.082 4.820 4.740 -0.004 0.000 0.240 280 N C 0.661 176.308 175.510 0.228 0.000 1.039 280 N CA -0.188 52.925 53.050 0.104 0.000 0.888 280 N CB 0.089 38.394 38.487 -0.302 0.000 1.128 280 N HN 0.623 nan 8.380 nan 0.000 0.512 281 I N 0.756 121.491 120.570 0.274 0.000 2.264 281 I HA -0.270 3.897 4.170 -0.004 0.000 0.248 281 I C 1.570 177.769 176.117 0.138 0.000 1.111 281 I CA 1.116 62.586 61.300 0.285 0.000 1.382 281 I CB -0.135 37.997 38.000 0.221 0.000 1.060 281 I HN 0.410 nan 8.210 nan 0.000 0.418 282 T N -0.288 114.288 114.554 0.037 0.000 2.777 282 T HA -0.184 4.164 4.350 -0.004 0.000 0.266 282 T C 1.754 176.422 174.700 -0.054 0.000 1.040 282 T CA 1.389 63.477 62.100 -0.019 0.000 1.141 282 T CB -0.154 68.680 68.868 -0.057 0.000 0.868 282 T HN 0.293 nan 8.240 nan 0.000 0.444 283 E N 0.921 121.064 120.200 -0.094 0.000 2.031 283 E HA -0.112 4.235 4.350 -0.004 0.000 0.193 283 E C 1.765 178.344 176.600 -0.035 0.000 0.994 283 E CA 1.098 57.441 56.400 -0.096 0.000 0.800 283 E CB -0.538 29.055 29.700 -0.180 0.000 0.752 283 E HN 0.441 nan 8.360 nan 0.000 0.447 284 F N 1.291 121.144 119.950 -0.161 0.000 2.091 284 F HA -0.246 4.278 4.527 -0.004 0.000 0.299 284 F C 2.221 177.945 175.800 -0.128 0.000 1.103 284 F CA 2.039 59.889 58.000 -0.249 0.000 1.228 284 F CB -0.324 38.106 39.000 -0.950 0.000 0.984 284 F HN 0.096 nan 8.300 nan 0.000 0.477 285 Q N -0.092 119.649 119.800 -0.097 0.000 2.084 285 Q HA -0.270 4.067 4.340 -0.004 0.000 0.202 285 Q C 2.248 178.125 176.000 -0.205 0.000 0.978 285 Q CA 1.934 57.654 55.803 -0.138 0.000 0.844 285 Q CB -0.494 28.240 28.738 -0.006 0.000 0.898 285 Q HN 0.728 nan 8.270 nan 0.000 0.426 286 Q N 0.111 119.805 119.800 -0.177 0.000 2.291 286 Q HA -0.101 4.236 4.340 -0.004 0.000 0.205 286 Q C 1.645 177.467 176.000 -0.298 0.000 0.970 286 Q CA 1.025 56.716 55.803 -0.186 0.000 0.876 286 Q CB -0.015 28.645 28.738 -0.129 0.000 0.935 286 Q HN 0.200 nan 8.270 nan 0.000 0.455 287 R N -1.199 119.035 120.500 -0.443 0.000 2.156 287 R HA 0.125 4.462 4.340 -0.004 0.000 0.207 287 R C 0.571 176.220 176.300 -1.084 0.000 1.040 287 R CA 0.877 56.499 56.100 -0.796 0.000 1.013 287 R CB 0.336 30.030 30.300 -1.010 0.000 0.931 287 R HN 0.281 nan 8.270 nan 0.000 0.465 288 F N -0.472 119.164 119.950 -0.523 0.000 2.817 288 F HA 0.195 4.719 4.527 -0.005 0.000 0.333 288 F C 0.124 175.681 175.800 -0.406 0.000 1.085 288 F CA -1.108 56.556 58.000 -0.561 0.000 1.170 288 F CB 0.335 38.768 39.000 -0.944 0.000 1.066 288 F HN -0.168 nan 8.300 nan 0.000 0.564 289 D N 0.302 120.578 120.400 -0.206 0.000 2.425 289 D HA 0.259 4.897 4.640 -0.004 0.000 0.247 289 D C 1.632 177.886 176.300 -0.078 0.000 1.147 289 D CA 0.676 54.612 54.000 -0.105 0.000 0.879 289 D CB 1.400 42.151 40.800 -0.083 0.000 1.179 289 D HN 0.235 nan 8.370 nan 0.000 0.456 290 G N 3.409 112.185 108.800 -0.039 0.000 2.421 290 G HA2 -0.225 3.732 3.960 -0.004 0.000 0.216 290 G HA3 -0.225 3.732 3.960 -0.004 0.000 0.216 290 G C 1.515 176.391 174.900 -0.041 0.000 1.171 290 G CA 0.532 45.613 45.100 -0.032 0.000 0.775 290 G HN 0.635 nan 8.290 nan 0.000 0.543 291 I N 0.435 120.984 120.570 -0.035 0.000 2.113 291 I HA -0.114 4.054 4.170 -0.004 0.000 0.238 291 I C 2.633 178.718 176.117 -0.052 0.000 1.070 291 I CA 0.828 62.106 61.300 -0.037 0.000 1.332 291 I CB -0.250 37.734 38.000 -0.026 0.000 1.044 291 I HN 0.096 nan 8.210 nan 0.000 0.402 292 L N 0.240 121.425 121.223 -0.063 0.000 2.353 292 L HA -0.147 4.191 4.340 -0.004 0.000 0.220 292 L C 2.090 178.901 176.870 -0.098 0.000 1.133 292 L CA 1.541 56.334 54.840 -0.078 0.000 0.798 292 L CB -0.870 41.136 42.059 -0.088 0.000 0.922 292 L HN 0.467 nan 8.230 nan 0.000 0.445 293 T N -5.295 109.197 114.554 -0.104 0.000 3.085 293 T HA 0.162 4.510 4.350 -0.004 0.000 0.264 293 T C 0.513 175.159 174.700 -0.091 0.000 1.019 293 T CA -0.368 61.661 62.100 -0.119 0.000 0.910 293 T CB 0.184 68.959 68.868 -0.155 0.000 1.059 293 T HN 0.314 nan 8.240 nan 0.000 0.542 294 E N 0.646 120.804 120.200 -0.070 0.000 2.416 294 E HA -0.212 4.135 4.350 -0.004 0.000 0.249 294 E C 1.047 177.618 176.600 -0.049 0.000 1.124 294 E CA 0.361 56.728 56.400 -0.056 0.000 0.732 294 E CB -1.884 27.780 29.700 -0.059 0.000 1.286 294 E HN 0.946 nan 8.360 nan 0.000 0.394 295 G N -0.394 108.379 108.800 -0.044 0.000 2.199 295 G HA2 -0.369 3.588 3.960 -0.004 0.000 0.254 295 G HA3 -0.369 3.588 3.960 -0.004 0.000 0.254 295 G C 0.751 175.634 174.900 -0.028 0.000 0.982 295 G CA 0.514 45.596 45.100 -0.029 0.000 0.632 295 G HN 0.311 nan 8.290 nan 0.000 0.529 296 E N 0.537 120.707 120.200 -0.051 0.000 2.152 296 E HA 0.015 4.362 4.350 -0.004 0.000 0.192 296 E C 2.628 179.207 176.600 -0.035 0.000 0.983 296 E CA 1.270 57.640 56.400 -0.051 0.000 0.818 296 E CB -0.850 28.796 29.700 -0.090 0.000 0.758 296 E HN 0.571 nan 8.360 nan 0.000 0.467 297 G N 2.285 111.054 108.800 -0.053 0.000 2.459 297 G HA2 -0.212 3.746 3.960 -0.004 0.000 0.217 297 G HA3 -0.212 3.746 3.960 -0.004 0.000 0.217 297 G C -0.765 174.200 174.900 0.108 0.000 1.183 297 G CA 0.608 45.719 45.100 0.018 0.000 0.776 297 G HN 0.285 nan 8.290 nan 0.000 0.552 298 P HA -0.065 nan 4.420 nan 0.000 0.216 298 P C 1.967 179.316 177.300 0.081 0.000 1.150 298 P CA 1.062 64.203 63.100 0.068 0.000 0.837 298 P CB -0.045 31.680 31.700 0.042 0.000 0.786 299 R N -0.680 119.857 120.500 0.062 0.000 2.096 299 R HA -0.058 4.279 4.340 -0.004 0.000 0.235 299 R C 2.391 178.747 176.300 0.094 0.000 1.127 299 R CA 1.302 57.445 56.100 0.071 0.000 0.968 299 R CB -0.350 29.981 30.300 0.053 0.000 0.861 299 R HN 0.183 nan 8.270 nan 0.000 0.440 300 R N 0.300 120.856 120.500 0.094 0.000 2.115 300 R HA -0.040 4.297 4.340 -0.004 0.000 0.230 300 R C 2.205 178.575 176.300 0.116 0.000 1.111 300 R CA 0.991 57.152 56.100 0.103 0.000 0.976 300 R CB -0.205 30.164 30.300 0.114 0.000 0.870 300 R HN 0.206 nan 8.270 nan 0.000 0.445 301 L N 0.613 121.907 121.223 0.119 0.000 2.109 301 L HA -0.113 4.224 4.340 -0.004 0.000 0.207 301 L C 2.098 179.106 176.870 0.230 0.000 1.086 301 L CA 1.257 56.146 54.840 0.081 0.000 0.760 301 L CB -0.335 41.756 42.059 0.054 0.000 0.910 301 L HN 0.126 nan 8.230 nan 0.000 0.437 302 K N 0.128 120.664 120.400 0.228 0.000 2.103 302 K HA -0.156 4.161 4.320 -0.004 0.000 0.207 302 K C 1.862 178.628 176.600 0.277 0.000 1.048 302 K CA 1.382 57.830 56.287 0.267 0.000 0.930 302 K CB -0.208 32.388 32.500 0.159 0.000 0.716 302 K HN 0.275 nan 8.250 nan 0.000 0.444 303 N N 1.334 120.148 118.700 0.190 0.000 2.188 303 N HA -0.143 4.594 4.740 -0.004 0.000 0.184 303 N C 1.747 177.396 175.510 0.231 0.000 1.018 303 N CA 0.727 53.889 53.050 0.188 0.000 0.858 303 N CB -0.244 38.294 38.487 0.086 0.000 0.989 303 N HN 0.150 nan 8.380 nan 0.000 0.426 304 L N -0.301 121.002 121.223 0.134 0.000 2.042 304 L HA -0.213 4.124 4.340 -0.004 0.000 0.210 304 L C 1.768 178.664 176.870 0.044 0.000 1.076 304 L CA 1.453 56.316 54.840 0.037 0.000 0.749 304 L CB -0.275 41.713 42.059 -0.119 0.000 0.893 304 L HN 0.090 nan 8.230 nan 0.000 0.432 305 Y N -1.327 119.063 120.300 0.150 0.000 2.274 305 Y HA -0.292 4.256 4.550 -0.004 0.000 0.290 305 Y C 2.204 178.268 175.900 0.274 0.000 1.145 305 Y CA 1.989 60.187 58.100 0.163 0.000 1.203 305 Y CB -0.499 38.023 38.460 0.104 0.000 0.984 305 Y HN 0.245 nan 8.280 nan 0.000 0.533 306 F N -0.180 119.933 119.950 0.272 0.000 2.146 306 F HA -0.192 4.332 4.527 -0.004 0.000 0.298 306 F C 2.172 178.099 175.800 0.212 0.000 1.096 306 F CA 1.055 59.185 58.000 0.216 0.000 1.275 306 F CB -0.519 38.583 39.000 0.170 0.000 1.008 306 F HN 0.057 nan 8.300 nan 0.000 0.480 307 L N -0.151 121.266 121.223 0.322 0.000 2.046 307 L HA -0.212 4.126 4.340 -0.004 0.000 0.208 307 L C 2.195 179.152 176.870 0.144 0.000 1.077 307 L CA 2.068 57.021 54.840 0.190 0.000 0.747 307 L CB -1.553 40.633 42.059 0.213 0.000 0.896 307 L HN 0.372 nan 8.230 nan 0.000 0.432 308 Y N -0.362 119.984 120.300 0.077 0.000 2.181 308 Y HA -0.235 4.312 4.550 -0.004 0.000 0.288 308 Y C 2.139 178.148 175.900 0.183 0.000 1.146 308 Y CA 2.113 60.284 58.100 0.118 0.000 1.164 308 Y CB -0.189 38.279 38.460 0.013 0.000 0.982 308 Y HN 0.229 nan 8.280 nan 0.000 0.515 309 L N -0.680 120.686 121.223 0.239 0.000 2.109 309 L HA -0.203 4.135 4.340 -0.004 0.000 0.207 309 L C 2.206 179.067 176.870 -0.015 0.000 1.086 309 L CA 0.420 55.333 54.840 0.122 0.000 0.760 309 L CB -0.494 41.662 42.059 0.162 0.000 0.910 309 L HN 0.261 nan 8.230 nan 0.000 0.437 310 I N 0.202 120.700 120.570 -0.121 0.000 2.226 310 I HA -0.238 3.930 4.170 -0.004 0.000 0.245 310 I C 2.457 178.438 176.117 -0.226 0.000 1.100 310 I CA 1.580 62.777 61.300 -0.171 0.000 1.374 310 I CB -0.975 36.883 38.000 -0.235 0.000 1.057 310 I HN 0.364 nan 8.210 nan 0.000 0.413 311 E N 0.275 120.373 120.200 -0.171 0.000 2.152 311 E HA -0.189 4.158 4.350 -0.004 0.000 0.192 311 E C 2.230 178.500 176.600 -0.549 0.000 0.983 311 E CA 0.595 56.840 56.400 -0.258 0.000 0.818 311 E CB -0.127 29.564 29.700 -0.016 0.000 0.758 311 E HN 0.287 nan 8.360 nan 0.000 0.467 312 L N 1.345 122.254 121.223 -0.522 0.000 2.017 312 L HA -0.205 4.132 4.340 -0.004 0.000 0.208 312 L C 2.515 179.105 176.870 -0.466 0.000 1.073 312 L CA 1.584 56.025 54.840 -0.665 0.000 0.745 312 L CB -0.185 41.646 42.059 -0.380 0.000 0.894 312 L HN -0.075 nan 8.230 nan 0.000 0.432 313 R N 0.306 120.604 120.500 -0.336 0.000 2.094 313 R HA -0.199 4.138 4.340 -0.004 0.000 0.239 313 R C 2.155 178.175 176.300 -0.467 0.000 1.137 313 R CA 2.085 57.947 56.100 -0.396 0.000 0.943 313 R CB -1.151 28.823 30.300 -0.544 0.000 0.850 313 R HN 0.515 nan 8.270 nan 0.000 0.433 314 A N 0.255 122.785 122.820 -0.483 0.000 1.940 314 A HA -0.133 4.185 4.320 -0.004 0.000 0.219 314 A C 2.359 179.706 177.584 -0.394 0.000 1.176 314 A CA 1.703 53.477 52.037 -0.438 0.000 0.631 314 A CB -0.648 18.113 19.000 -0.399 0.000 0.814 314 A HN 0.396 nan 8.150 nan 0.000 0.446 315 L N 0.157 121.091 121.223 -0.482 0.000 2.217 315 L HA -0.139 4.198 4.340 -0.004 0.000 0.211 315 L C 2.989 179.672 176.870 -0.312 0.000 1.107 315 L CA 1.400 55.956 54.840 -0.473 0.000 0.783 315 L CB -0.284 41.351 42.059 -0.707 0.000 0.919 315 L HN 0.659 nan 8.230 nan 0.000 0.442 316 S N -0.910 114.611 115.700 -0.299 0.000 2.377 316 S HA -0.094 4.373 4.470 -0.004 0.000 0.223 316 S C 1.930 176.421 174.600 -0.182 0.000 1.030 316 S CA 0.336 58.412 58.200 -0.208 0.000 0.970 316 S CB -0.117 62.973 63.200 -0.183 0.000 0.830 316 S HN 0.213 nan 8.310 nan 0.000 0.473 317 K N 0.860 121.119 120.400 -0.235 0.000 2.362 317 K HA 0.176 4.494 4.320 -0.004 0.000 0.200 317 K C 1.635 178.129 176.600 -0.176 0.000 1.046 317 K CA 0.577 56.731 56.287 -0.222 0.000 0.952 317 K CB -0.456 31.860 32.500 -0.306 0.000 0.753 317 K HN 0.392 nan 8.250 nan 0.000 0.466 318 V N 1.408 121.244 119.914 -0.130 0.000 3.621 318 V HA -0.036 4.081 4.120 -0.004 0.000 0.285 318 V C 1.670 177.843 176.094 0.132 0.000 1.346 318 V CA 0.121 62.405 62.300 -0.026 0.000 1.104 318 V CB -0.166 31.670 31.823 0.022 0.000 0.913 318 V HN 0.084 nan 8.190 nan 0.000 0.432 319 L N 2.127 123.383 121.223 0.054 0.000 2.013 319 L HA -0.044 4.293 4.340 -0.004 0.000 0.212 319 L C -0.327 176.594 176.870 0.085 0.000 1.073 319 L CA 2.714 57.597 54.840 0.072 0.000 0.753 319 L CB -1.605 40.419 42.059 -0.059 0.000 0.890 319 L HN 0.258 nan 8.230 nan 0.000 0.432 320 P HA -0.233 nan 4.420 nan 0.000 0.218 320 P C 1.689 179.001 177.300 0.021 0.000 1.146 320 P CA 1.537 64.648 63.100 0.019 0.000 0.813 320 P CB -0.310 31.384 31.700 -0.010 0.000 0.778 321 F N -1.028 118.853 119.950 -0.114 0.000 2.186 321 F HA -0.112 4.412 4.527 -0.005 0.000 0.299 321 F C 1.667 177.187 175.800 -0.467 0.000 1.090 321 F CA 1.433 59.286 58.000 -0.244 0.000 1.307 321 F CB -0.429 38.411 39.000 -0.267 0.000 1.019 321 F HN -0.216 nan 8.300 nan 0.000 0.489 322 F N 0.231 120.050 119.950 -0.217 0.000 2.743 322 F HA 0.075 4.599 4.527 -0.005 0.000 0.297 322 F C 2.091 177.745 175.800 -0.244 0.000 1.131 322 F CA 0.425 58.120 58.000 -0.508 0.000 1.426 322 F CB -0.331 38.463 39.000 -0.344 0.000 1.116 322 F HN -0.021 nan 8.300 nan 0.000 0.583 323 E N 0.358 120.560 120.200 0.003 0.000 2.299 323 E HA 0.003 4.351 4.350 -0.004 0.000 0.193 323 E C 0.564 177.172 176.600 0.014 0.000 0.998 323 E CA -0.024 56.398 56.400 0.037 0.000 0.851 323 E CB 0.016 29.748 29.700 0.053 0.000 0.795 323 E HN 0.298 nan 8.360 nan 0.000 0.492 324 R N 1.714 122.183 120.500 -0.051 0.000 2.478 324 R HA -0.099 4.239 4.340 -0.004 0.000 0.281 324 R C -1.717 174.589 176.300 0.010 0.000 0.939 324 R CA -0.480 55.589 56.100 -0.052 0.000 1.120 324 R CB -0.081 30.134 30.300 -0.142 0.000 0.885 324 R HN 0.002 nan 8.270 nan 0.000 0.415 325 P HA -0.099 nan 4.420 nan 0.000 0.219 325 P C 0.084 177.392 177.300 0.012 0.000 1.150 325 P CA 0.978 64.091 63.100 0.021 0.000 0.814 325 P CB 0.264 31.968 31.700 0.006 0.000 0.787 326 D N -1.708 118.683 120.400 -0.015 0.000 2.309 326 D HA -0.096 4.541 4.640 -0.004 0.000 0.212 326 D C 0.369 176.655 176.300 -0.023 0.000 0.968 326 D CA 0.601 54.579 54.000 -0.037 0.000 0.882 326 D CB -0.564 40.191 40.800 -0.075 0.000 0.918 326 D HN 0.166 nan 8.370 nan 0.000 0.503 327 F N 1.088 120.954 119.950 -0.141 0.000 2.399 327 F HA 0.300 4.824 4.527 -0.004 0.000 0.342 327 F C 0.087 175.861 175.800 -0.043 0.000 1.106 327 F CA -0.292 57.623 58.000 -0.141 0.000 1.196 327 F CB 0.711 39.561 39.000 -0.250 0.000 1.163 327 F HN -0.289 nan 8.300 nan 0.000 0.547 328 Q N 4.875 124.072 119.800 -1.005 0.000 2.345 328 Q HA 0.348 4.685 4.340 -0.004 0.000 0.275 328 Q C -1.738 173.715 176.000 -0.912 0.000 1.063 328 Q CA -0.937 54.493 55.803 -0.622 0.000 0.819 328 Q CB 1.726 30.308 28.738 -0.259 0.000 1.356 328 Q HN 0.632 nan 8.270 nan 0.000 0.418 329 L N 4.374 125.278 121.223 -0.530 0.000 2.648 329 L HA 0.275 4.613 4.340 -0.004 0.000 0.238 329 L C -0.391 176.272 176.870 -0.345 0.000 1.316 329 L CA 0.259 54.715 54.840 -0.640 0.000 1.241 329 L CB -1.303 40.394 42.059 -0.604 0.000 1.499 329 L HN 0.584 nan 8.230 nan 0.000 0.411 330 F N 1.667 121.371 119.950 -0.410 0.000 2.578 330 F HA 0.242 4.767 4.527 -0.005 0.000 0.381 330 F C 1.087 176.606 175.800 -0.467 0.000 1.069 330 F CA 0.377 58.117 58.000 -0.432 0.000 1.231 330 F CB 0.638 39.164 39.000 -0.789 0.000 1.086 330 F HN 0.495 nan 8.300 nan 0.000 0.564 331 T N 1.312 115.169 114.554 -1.161 0.000 2.565 331 T HA 0.468 4.815 4.350 -0.004 0.000 0.266 331 T C 1.047 175.267 174.700 -0.801 0.000 0.905 331 T CA -0.179 61.306 62.100 -1.025 0.000 1.122 331 T CB 0.785 69.366 68.868 -0.477 0.000 1.437 331 T HN 0.470 nan 8.240 nan 0.000 0.506 332 G N 0.437 109.154 108.800 -0.139 0.000 2.403 332 G HA2 0.054 4.012 3.960 -0.004 0.000 0.216 332 G HA3 0.054 4.012 3.960 -0.004 0.000 0.216 332 G C 0.787 175.641 174.900 -0.076 0.000 1.154 332 G CA 0.193 45.241 45.100 -0.087 0.000 0.784 332 G HN 0.635 nan 8.290 nan 0.000 0.538 333 N N -0.502 118.155 118.700 -0.072 0.000 2.418 333 N HA 0.319 5.056 4.740 -0.004 0.000 0.283 333 N C 1.039 176.540 175.510 -0.015 0.000 1.267 333 N CA -0.193 52.841 53.050 -0.027 0.000 0.975 333 N CB 0.969 39.449 38.487 -0.011 0.000 1.167 333 N HN 0.003 nan 8.380 nan 0.000 0.581 334 K N 0.023 120.435 120.400 0.020 0.000 2.493 334 K HA 0.304 4.621 4.320 -0.004 0.000 0.201 334 K C 1.597 178.217 176.600 0.033 0.000 1.355 334 K CA 0.423 56.741 56.287 0.052 0.000 0.953 334 K CB 0.540 33.078 32.500 0.063 0.000 1.316 334 K HN 0.366 nan 8.250 nan 0.000 0.522 335 I N 1.360 121.943 120.570 0.020 0.000 3.265 335 I HA 0.008 4.175 4.170 -0.004 0.000 0.282 335 I C 2.258 178.380 176.117 0.008 0.000 1.207 335 I CA 0.418 61.727 61.300 0.015 0.000 1.449 335 I CB -0.119 37.890 38.000 0.015 0.000 1.121 335 I HN 0.030 nan 8.210 nan 0.000 0.442 336 Q N 1.275 121.077 119.800 0.003 0.000 2.084 336 Q HA -0.215 4.123 4.340 -0.004 0.000 0.202 336 Q C 1.546 177.538 176.000 -0.014 0.000 0.978 336 Q CA 1.661 57.463 55.803 -0.002 0.000 0.844 336 Q CB -0.092 28.646 28.738 -0.001 0.000 0.898 336 Q HN 0.449 nan 8.270 nan 0.000 0.426 337 D N 0.303 120.686 120.400 -0.028 0.000 2.182 337 D HA -0.151 4.486 4.640 -0.004 0.000 0.201 337 D C 1.676 177.957 176.300 -0.031 0.000 0.986 337 D CA 0.973 54.942 54.000 -0.052 0.000 0.847 337 D CB 0.014 40.780 40.800 -0.056 0.000 0.942 337 D HN 0.184 nan 8.370 nan 0.000 0.467 338 E N 0.481 120.677 120.200 -0.007 0.000 2.170 338 E HA -0.051 4.296 4.350 -0.004 0.000 0.191 338 E C 1.911 178.517 176.600 0.009 0.000 0.981 338 E CA 0.328 56.732 56.400 0.007 0.000 0.830 338 E CB 0.010 29.719 29.700 0.015 0.000 0.775 338 E HN 0.491 nan 8.360 nan 0.000 0.470 339 E N 0.790 120.993 120.200 0.005 0.000 2.150 339 E HA -0.111 4.236 4.350 -0.004 0.000 0.193 339 E C 1.829 178.429 176.600 -0.000 0.000 0.985 339 E CA 0.428 56.831 56.400 0.005 0.000 0.814 339 E CB 0.015 29.718 29.700 0.005 0.000 0.752 339 E HN 0.132 nan 8.360 nan 0.000 0.466 340 N N 1.195 119.892 118.700 -0.005 0.000 2.142 340 N HA -0.148 4.589 4.740 -0.004 0.000 0.186 340 N C 1.701 177.203 175.510 -0.014 0.000 1.023 340 N CA 0.891 53.938 53.050 -0.005 0.000 0.852 340 N CB -0.065 38.419 38.487 -0.005 0.000 0.998 340 N HN 0.108 nan 8.380 nan 0.000 0.424 341 K N 0.233 120.631 120.400 -0.003 0.000 2.097 341 K HA -0.046 4.272 4.320 -0.004 0.000 0.206 341 K C 1.979 178.593 176.600 0.025 0.000 1.049 341 K CA 0.919 57.227 56.287 0.035 0.000 0.933 341 K CB 0.068 32.609 32.500 0.068 0.000 0.717 341 K HN 0.005 nan 8.250 nan 0.000 0.442 342 M N 0.564 120.176 119.600 0.019 0.000 2.132 342 M HA -0.130 4.347 4.480 -0.004 0.000 0.263 342 M C 2.177 178.482 176.300 0.007 0.000 1.065 342 M CA 0.997 56.312 55.300 0.025 0.000 1.122 342 M CB -0.802 31.813 32.600 0.025 0.000 1.365 342 M HN 0.230 nan 8.290 nan 0.000 0.411 343 L N 0.626 121.838 121.223 -0.018 0.000 2.012 343 L HA -0.179 4.158 4.340 -0.004 0.000 0.210 343 L C 2.308 179.128 176.870 -0.084 0.000 1.073 343 L CA 1.625 56.439 54.840 -0.044 0.000 0.748 343 L CB -1.081 40.944 42.059 -0.058 0.000 0.891 343 L HN 0.256 nan 8.230 nan 0.000 0.431 344 L N -1.493 119.649 121.223 -0.134 0.000 2.046 344 L HA -0.232 4.105 4.340 -0.004 0.000 0.208 344 L C 2.371 179.143 176.870 -0.164 0.000 1.077 344 L CA 1.545 56.241 54.840 -0.240 0.000 0.747 344 L CB -0.185 41.668 42.059 -0.343 0.000 0.896 344 L HN 0.301 nan 8.230 nan 0.000 0.432 345 L N -0.675 120.495 121.223 -0.088 0.000 2.072 345 L HA -0.188 4.149 4.340 -0.004 0.000 0.205 345 L C 2.494 179.372 176.870 0.014 0.000 1.079 345 L CA 1.284 56.083 54.840 -0.068 0.000 0.752 345 L CB -0.523 41.556 42.059 0.033 0.000 0.906 345 L HN 0.274 nan 8.230 nan 0.000 0.436 346 E N 0.282 120.531 120.200 0.081 0.000 2.085 346 E HA -0.251 4.096 4.350 -0.004 0.000 0.194 346 E C 2.250 178.906 176.600 0.094 0.000 0.994 346 E CA 1.383 57.857 56.400 0.124 0.000 0.801 346 E CB -0.128 29.615 29.700 0.072 0.000 0.743 346 E HN 0.469 nan 8.360 nan 0.000 0.453 347 I N 0.816 121.401 120.570 0.026 0.000 2.179 347 I HA -0.291 3.876 4.170 -0.004 0.000 0.242 347 I C 2.321 178.462 176.117 0.040 0.000 1.088 347 I CA 1.003 62.324 61.300 0.035 0.000 1.357 347 I CB -0.187 37.810 38.000 -0.005 0.000 1.051 347 I HN 0.122 nan 8.210 nan 0.000 0.409 348 L N -0.309 120.885 121.223 -0.048 0.000 2.083 348 L HA -0.249 4.089 4.340 -0.004 0.000 0.209 348 L C 2.738 179.543 176.870 -0.108 0.000 1.083 348 L CA 1.209 55.977 54.840 -0.120 0.000 0.752 348 L CB -1.009 40.922 42.059 -0.213 0.000 0.899 348 L HN 0.384 nan 8.230 nan 0.000 0.433 349 H N 0.023 119.117 119.070 0.040 0.000 2.326 349 H HA -0.114 4.440 4.556 -0.004 0.000 0.301 349 H C 2.235 177.616 175.328 0.088 0.000 1.081 349 H CA 1.136 57.214 56.048 0.050 0.000 1.334 349 H CB -0.058 29.730 29.762 0.044 0.000 1.385 349 H HN 0.327 nan 8.280 nan 0.000 0.504 350 E N 0.731 121.081 120.200 0.250 0.000 2.065 350 E HA -0.178 4.169 4.350 -0.004 0.000 0.201 350 E C 2.526 179.329 176.600 0.339 0.000 1.016 350 E CA 0.938 57.531 56.400 0.322 0.000 0.818 350 E CB -0.431 29.480 29.700 0.352 0.000 0.749 350 E HN 0.456 nan 8.360 nan 0.000 0.453 351 I N 0.800 121.533 120.570 0.272 0.000 2.127 351 I HA -0.289 3.878 4.170 -0.004 0.000 0.241 351 I C 2.678 178.797 176.117 0.004 0.000 1.075 351 I CA 1.328 62.722 61.300 0.157 0.000 1.334 351 I CB -0.253 37.755 38.000 0.015 0.000 1.040 351 I HN 0.050 nan 8.210 nan 0.000 0.405 352 K N 0.901 121.307 120.400 0.010 0.000 2.211 352 K HA -0.214 4.104 4.320 -0.004 0.000 0.204 352 K C 2.170 178.778 176.600 0.015 0.000 1.047 352 K CA 1.743 58.029 56.287 -0.002 0.000 0.935 352 K CB -0.118 32.398 32.500 0.027 0.000 0.728 352 K HN 0.363 nan 8.250 nan 0.000 0.452 353 S N -0.431 115.301 115.700 0.054 0.000 2.489 353 S HA -0.087 4.380 4.470 -0.004 0.000 0.228 353 S C 0.566 175.145 174.600 -0.036 0.000 0.995 353 S CA -0.388 57.835 58.200 0.037 0.000 0.934 353 S CB -0.441 62.820 63.200 0.101 0.000 0.771 353 S HN 0.284 nan 8.310 nan 0.000 0.522 354 F N 4.961 124.721 119.950 -0.316 0.000 2.578 354 F HA 0.338 4.862 4.527 -0.004 0.000 0.381 354 F C -2.202 173.428 175.800 -0.282 0.000 1.069 354 F CA -2.479 55.248 58.000 -0.456 0.000 1.231 354 F CB 0.596 39.079 39.000 -0.861 0.000 1.086 354 F HN 0.083 nan 8.300 nan 0.000 0.564 355 P HA 0.108 nan 4.420 nan 0.000 0.244 355 P C -1.016 175.884 177.300 -0.667 0.000 1.769 355 P CA -0.066 62.702 63.100 -0.554 0.000 1.102 355 P CB 0.263 31.760 31.700 -0.339 0.000 1.937 356 L N 4.124 125.020 121.223 -0.545 0.000 2.307 356 L HA 0.498 4.835 4.340 -0.004 0.000 0.284 356 L C -0.636 175.984 176.870 -0.415 0.000 1.023 356 L CA -0.347 54.330 54.840 -0.271 0.000 0.810 356 L CB 0.743 42.889 42.059 0.145 0.000 1.231 356 L HN 0.248 nan 8.230 nan 0.000 0.423 357 H N 4.831 123.989 119.070 0.147 0.000 2.600 357 H HA 0.424 4.978 4.556 -0.004 0.000 0.357 357 H C -1.379 173.953 175.328 0.006 0.000 1.106 357 H CA -0.379 55.767 56.048 0.163 0.000 1.193 357 H CB 1.613 31.517 29.762 0.237 0.000 1.594 357 H HN 0.459 nan 8.280 nan 0.000 0.526 358 F N 1.729 121.638 119.950 -0.068 0.000 2.444 358 F HA 0.136 4.660 4.527 -0.004 0.000 0.342 358 F C 0.680 176.335 175.800 -0.241 0.000 1.121 358 F CA -0.729 57.139 58.000 -0.219 0.000 0.997 358 F CB 1.063 39.966 39.000 -0.161 0.000 1.130 358 F HN 0.390 nan 8.300 nan 0.000 0.454 359 D N 2.719 122.915 120.400 -0.339 0.000 2.449 359 D HA -0.028 4.609 4.640 -0.004 0.000 0.236 359 D C 1.047 177.326 176.300 -0.035 0.000 1.149 359 D CA 0.407 54.288 54.000 -0.200 0.000 0.878 359 D CB 0.793 41.435 40.800 -0.263 0.000 1.198 359 D HN 0.590 nan 8.370 nan 0.000 0.446 360 E N 0.621 120.821 120.200 0.000 0.000 2.204 360 E HA -0.157 4.190 4.350 -0.004 0.000 0.195 360 E C 1.300 177.904 176.600 0.007 0.000 0.990 360 E CA 0.495 56.906 56.400 0.018 0.000 0.821 360 E CB -0.028 29.687 29.700 0.025 0.000 0.750 360 E HN 0.271 nan 8.360 nan 0.000 0.477 361 N N 1.120 119.806 118.700 -0.022 0.000 2.571 361 N HA -0.078 4.660 4.740 -0.004 0.000 0.189 361 N C -0.316 175.173 175.510 -0.036 0.000 1.154 361 N CA 0.244 53.272 53.050 -0.037 0.000 0.907 361 N CB -0.200 38.234 38.487 -0.088 0.000 0.977 361 N HN 0.096 nan 8.380 nan 0.000 0.449 362 S N 0.445 116.130 115.700 -0.024 0.000 2.573 362 S HA -0.123 4.344 4.470 -0.004 0.000 0.297 362 S C 1.355 175.928 174.600 -0.045 0.000 1.280 362 S CA -0.487 57.673 58.200 -0.066 0.000 1.061 362 S CB -0.104 63.145 63.200 0.082 0.000 0.812 362 S HN 0.257 nan 8.310 nan 0.000 0.500 363 F N 2.603 122.461 119.950 -0.153 0.000 2.641 363 F HA 0.215 4.740 4.527 -0.004 0.000 0.298 363 F C 0.883 176.543 175.800 -0.232 0.000 1.146 363 F CA -0.553 57.349 58.000 -0.162 0.000 1.464 363 F CB -1.415 37.512 39.000 -0.121 0.000 1.101 363 F HN 0.510 nan 8.300 nan 0.000 0.585 364 F N 1.565 121.590 119.950 0.125 0.000 2.367 364 F HA 0.360 4.884 4.527 -0.004 0.000 0.298 364 F C 1.984 177.755 175.800 -0.050 0.000 1.094 364 F CA -0.137 57.712 58.000 -0.250 0.000 1.409 364 F CB -1.199 37.479 39.000 -0.536 0.000 1.064 364 F HN 0.057 nan 8.300 nan 0.000 0.528 365 A N 0.836 123.748 122.820 0.154 0.000 2.540 365 A HA 0.404 4.721 4.320 -0.004 0.000 0.239 365 A C 1.008 178.663 177.584 0.120 0.000 1.061 365 A CA 0.242 52.343 52.037 0.106 0.000 0.758 365 A CB -0.443 18.602 19.000 0.075 0.000 0.991 365 A HN 0.333 nan 8.150 nan 0.000 0.502 366 G N 1.603 110.458 108.800 0.092 0.000 2.439 366 G HA2 0.393 4.351 3.960 -0.004 0.000 0.298 366 G HA3 0.393 4.351 3.960 -0.004 0.000 0.298 366 G C -0.139 174.816 174.900 0.092 0.000 1.044 366 G CA -0.301 44.842 45.100 0.072 0.000 1.168 366 G HN 0.723 nan 8.290 nan 0.000 0.433 367 D N 2.470 122.928 120.400 0.097 0.000 2.491 367 D HA 0.162 4.799 4.640 -0.004 0.000 0.228 367 D C 1.132 177.514 176.300 0.137 0.000 1.183 367 D CA -0.206 53.859 54.000 0.108 0.000 0.827 367 D CB 0.606 41.468 40.800 0.104 0.000 0.989 367 D HN 0.361 nan 8.370 nan 0.000 0.494 368 K N 0.274 120.790 120.400 0.194 0.000 1.979 368 K HA -0.310 4.007 4.320 -0.004 0.000 0.143 368 K C 1.376 178.201 176.600 0.375 0.000 1.185 368 K CA 1.522 57.999 56.287 0.318 0.000 0.336 368 K CB -0.863 31.750 32.500 0.187 0.000 0.680 368 K HN -0.050 nan 8.250 nan 0.000 0.783 369 K N 0.933 121.477 120.400 0.241 0.000 2.127 369 K HA -0.243 4.074 4.320 -0.004 0.000 0.208 369 K C 1.887 178.589 176.600 0.171 0.000 1.047 369 K CA 2.240 58.644 56.287 0.195 0.000 0.927 369 K CB -0.238 32.327 32.500 0.108 0.000 0.716 369 K HN 0.303 nan 8.250 nan 0.000 0.450 370 E N 0.238 120.521 120.200 0.138 0.000 2.051 370 E HA -0.149 4.198 4.350 -0.004 0.000 0.192 370 E C 1.868 178.526 176.600 0.097 0.000 0.991 370 E CA 1.449 57.914 56.400 0.109 0.000 0.799 370 E CB -0.201 29.565 29.700 0.109 0.000 0.748 370 E HN 0.351 nan 8.360 nan 0.000 0.449 371 A N 0.101 122.969 122.820 0.080 0.000 1.968 371 A HA -0.137 4.180 4.320 -0.004 0.000 0.217 371 A C 1.567 179.077 177.584 -0.123 0.000 1.169 371 A CA 1.437 53.502 52.037 0.047 0.000 0.638 371 A CB -0.653 18.365 19.000 0.031 0.000 0.812 371 A HN 0.297 nan 8.150 nan 0.000 0.446 372 H N -0.732 118.371 119.070 0.055 0.000 2.436 372 H HA 0.009 4.562 4.556 -0.004 0.000 0.294 372 H C 2.005 177.303 175.328 -0.050 0.000 1.048 372 H CA 1.497 57.542 56.048 -0.004 0.000 1.353 372 H CB 0.073 29.853 29.762 0.030 0.000 1.414 372 H HN 0.494 nan 8.280 nan 0.000 0.536 373 K N 0.913 121.363 120.400 0.083 0.000 2.057 373 K HA -0.116 4.201 4.320 -0.004 0.000 0.207 373 K C 1.878 178.470 176.600 -0.014 0.000 1.049 373 K CA 0.949 57.255 56.287 0.032 0.000 0.931 373 K CB -0.387 32.141 32.500 0.046 0.000 0.714 373 K HN 0.159 nan 8.250 nan 0.000 0.440 374 L N 1.505 122.705 121.223 -0.038 0.000 2.072 374 L HA -0.027 4.311 4.340 -0.004 0.000 0.205 374 L C 2.268 179.007 176.870 -0.218 0.000 1.079 374 L CA 1.819 56.637 54.840 -0.038 0.000 0.752 374 L CB -0.660 41.401 42.059 0.004 0.000 0.906 374 L HN 0.280 nan 8.230 nan 0.000 0.436 375 K N -0.673 119.245 120.400 -0.803 0.000 2.113 375 K HA -0.288 4.029 4.320 -0.004 0.000 0.208 375 K C 2.010 178.500 176.600 -0.182 0.000 1.047 375 K CA 2.009 57.707 56.287 -0.983 0.000 0.928 375 K CB 0.000 32.050 32.500 -0.751 0.000 0.716 375 K HN 0.367 nan 8.250 nan 0.000 0.446 376 E N 0.595 120.741 120.200 -0.090 0.000 2.190 376 E HA -0.096 4.251 4.350 -0.004 0.000 0.191 376 E C 1.333 177.916 176.600 -0.028 0.000 0.978 376 E CA 1.175 57.565 56.400 -0.017 0.000 0.839 376 E CB 0.060 29.749 29.700 -0.017 0.000 0.787 376 E HN 0.273 nan 8.360 nan 0.000 0.473 377 D N 0.036 120.409 120.400 -0.046 0.000 2.104 377 D HA -0.179 4.458 4.640 -0.004 0.000 0.194 377 D C 1.631 177.868 176.300 -0.106 0.000 0.994 377 D CA 1.076 54.960 54.000 -0.193 0.000 0.830 377 D CB -0.420 40.307 40.800 -0.121 0.000 0.959 377 D HN 0.248 nan 8.370 nan 0.000 0.452 378 F N 0.938 121.053 119.950 0.274 0.000 2.069 378 F HA -0.136 4.388 4.527 -0.005 0.000 0.298 378 F C 2.673 178.745 175.800 0.454 0.000 1.113 378 F CA 1.198 59.513 58.000 0.525 0.000 1.214 378 F CB -0.209 39.169 39.000 0.629 0.000 0.978 378 F HN -0.153 nan 8.300 nan 0.000 0.474 379 R N 0.468 121.225 120.500 0.429 0.000 2.105 379 R HA -0.210 4.127 4.340 -0.004 0.000 0.239 379 R C 2.253 178.678 176.300 0.207 0.000 1.135 379 R CA 1.579 57.864 56.100 0.310 0.000 0.967 379 R CB -0.590 29.808 30.300 0.162 0.000 0.861 379 R HN 0.369 nan 8.270 nan 0.000 0.442 380 L N 0.206 121.449 121.223 0.034 0.000 2.017 380 L HA -0.205 4.132 4.340 -0.004 0.000 0.208 380 L C 2.100 178.888 176.870 -0.136 0.000 1.073 380 L CA 1.858 56.630 54.840 -0.112 0.000 0.745 380 L CB -0.522 41.366 42.059 -0.285 0.000 0.894 380 L HN 0.248 nan 8.230 nan 0.000 0.432 381 H N -0.745 118.287 119.070 -0.064 0.000 2.352 381 H HA -0.142 4.411 4.556 -0.004 0.000 0.299 381 H C 2.179 177.466 175.328 -0.069 0.000 1.097 381 H CA 2.191 58.134 56.048 -0.175 0.000 1.311 381 H CB -0.606 28.883 29.762 -0.454 0.000 1.377 381 H HN 0.422 nan 8.280 nan 0.000 0.504 382 F N 0.795 120.938 119.950 0.321 0.000 2.186 382 F HA -0.076 4.448 4.527 -0.005 0.000 0.299 382 F C 2.802 178.715 175.800 0.188 0.000 1.090 382 F CA 0.966 59.140 58.000 0.289 0.000 1.307 382 F CB -0.190 38.996 39.000 0.310 0.000 1.019 382 F HN 0.031 nan 8.300 nan 0.000 0.489 383 R N 0.683 121.346 120.500 0.272 0.000 2.081 383 R HA -0.182 4.155 4.340 -0.004 0.000 0.235 383 R C 1.972 178.357 176.300 0.142 0.000 1.131 383 R CA 1.875 58.074 56.100 0.166 0.000 0.960 383 R CB -0.341 30.021 30.300 0.102 0.000 0.856 383 R HN 0.173 nan 8.270 nan 0.000 0.436 384 N N 0.926 119.708 118.700 0.136 0.000 2.058 384 N HA -0.160 4.578 4.740 -0.004 0.000 0.191 384 N C 1.918 177.537 175.510 0.182 0.000 1.037 384 N CA 1.713 54.865 53.050 0.171 0.000 0.848 384 N CB -0.313 38.258 38.487 0.140 0.000 1.021 384 N HN 0.293 nan 8.380 nan 0.000 0.422 385 I N 0.367 121.021 120.570 0.140 0.000 2.208 385 I HA -0.270 3.898 4.170 -0.004 0.000 0.245 385 I C 2.453 178.651 176.117 0.135 0.000 1.097 385 I CA 0.980 62.351 61.300 0.119 0.000 1.363 385 I CB -0.351 37.694 38.000 0.075 0.000 1.051 385 I HN 0.111 nan 8.210 nan 0.000 0.413 386 S N 0.724 116.521 115.700 0.160 0.000 2.383 386 S HA -0.203 4.265 4.470 -0.004 0.000 0.229 386 S C 2.178 176.824 174.600 0.076 0.000 1.030 386 S CA 1.476 59.751 58.200 0.126 0.000 1.002 386 S CB -0.181 63.098 63.200 0.131 0.000 0.829 386 S HN 0.358 nan 8.310 nan 0.000 0.467 387 R N -0.007 120.545 120.500 0.086 0.000 2.115 387 R HA 0.156 4.494 4.340 -0.004 0.000 0.226 387 R C 2.290 178.644 176.300 0.091 0.000 1.100 387 R CA 1.286 57.399 56.100 0.022 0.000 0.980 387 R CB -0.410 29.870 30.300 -0.033 0.000 0.875 387 R HN 0.458 nan 8.270 nan 0.000 0.445 388 I N 0.766 121.487 120.570 0.252 0.000 2.264 388 I HA -0.314 3.854 4.170 -0.004 0.000 0.248 388 I C 2.162 178.317 176.117 0.062 0.000 1.111 388 I CA 1.137 62.571 61.300 0.223 0.000 1.382 388 I CB -0.131 37.967 38.000 0.163 0.000 1.060 388 I HN 0.159 nan 8.210 nan 0.000 0.418 389 M N -0.421 119.196 119.600 0.029 0.000 2.279 389 M HA -0.197 4.281 4.480 -0.004 0.000 0.264 389 M C 1.422 177.697 176.300 -0.041 0.000 1.062 389 M CA 1.472 56.764 55.300 -0.014 0.000 1.099 389 M CB -1.188 31.417 32.600 0.010 0.000 1.394 389 M HN 0.197 nan 8.290 nan 0.000 0.426 390 D N -0.646 119.722 120.400 -0.055 0.000 2.392 390 D HA -0.055 4.583 4.640 -0.004 0.000 0.228 390 D C 1.246 177.462 176.300 -0.141 0.000 1.003 390 D CA 0.622 54.568 54.000 -0.092 0.000 0.917 390 D CB 0.008 40.729 40.800 -0.131 0.000 0.890 390 D HN 0.395 nan 8.370 nan 0.000 0.532 391 c N 0.400 118.915 118.600 -0.143 0.000 3.038 391 c HA 0.215 4.783 4.570 -0.004 0.000 0.279 391 c C 0.839 174.899 174.090 -0.050 0.000 1.276 391 c CA -0.525 55.694 56.329 -0.183 0.000 1.697 391 c CB -0.161 42.130 42.510 -0.365 0.000 2.032 391 c HN -0.080 nan 8.230 nan 0.000 0.636 392 V N 1.880 121.735 119.914 -0.097 0.000 2.385 392 V HA 0.418 4.535 4.120 -0.004 0.000 0.269 392 V C 1.376 177.238 176.094 -0.387 0.000 1.043 392 V CA 0.732 62.931 62.300 -0.168 0.000 0.906 392 V CB 1.102 32.805 31.823 -0.199 0.000 0.995 392 V HN 0.551 nan 8.190 nan 0.000 0.467 393 G N 2.957 111.502 108.800 -0.425 0.000 2.880 393 G HA2 -0.058 3.899 3.960 -0.004 0.000 0.209 393 G HA3 -0.058 3.899 3.960 -0.004 0.000 0.209 393 G C 0.631 174.969 174.900 -0.937 0.000 1.157 393 G CA 0.283 45.004 45.100 -0.632 0.000 0.779 393 G HN 0.702 nan 8.290 nan 0.000 0.539 394 C N 0.898 119.628 119.300 -0.950 0.000 2.225 394 C HA 0.599 5.056 4.460 -0.004 0.000 0.328 394 C C 1.465 176.109 174.990 -0.576 0.000 1.187 394 C CA -1.094 57.465 59.018 -0.764 0.000 1.665 394 C CB -1.537 25.583 27.740 -1.033 0.000 2.253 394 C HN 0.377 nan 8.230 nan 0.000 0.497 395 F N 2.848 122.704 119.950 -0.156 0.000 2.234 395 F HA 0.009 4.534 4.527 -0.004 0.000 0.299 395 F C 2.331 178.091 175.800 -0.066 0.000 1.087 395 F CA 1.260 59.197 58.000 -0.104 0.000 1.340 395 F CB -0.116 38.841 39.000 -0.072 0.000 1.031 395 F HN 0.575 nan 8.300 nan 0.000 0.500 396 K N -0.297 120.176 120.400 0.121 0.000 2.097 396 K HA -0.134 4.183 4.320 -0.004 0.000 0.205 396 K C 1.985 178.704 176.600 0.198 0.000 1.050 396 K CA 1.426 57.812 56.287 0.164 0.000 0.938 396 K CB -0.472 32.152 32.500 0.207 0.000 0.718 396 K HN 0.278 nan 8.250 nan 0.000 0.442 397 C N 0.523 119.857 119.300 0.057 0.000 2.422 397 C HA -0.067 4.390 4.460 -0.004 0.000 0.279 397 C C 2.602 177.607 174.990 0.025 0.000 1.305 397 C CA 0.551 59.593 59.018 0.041 0.000 1.757 397 C CB -0.773 26.865 27.740 -0.170 0.000 1.962 397 C HN 0.472 nan 8.230 nan 0.000 0.499 398 R N 0.691 121.165 120.500 -0.043 0.000 2.075 398 R HA -0.058 4.280 4.340 -0.004 0.000 0.226 398 R C 2.195 178.505 176.300 0.016 0.000 1.114 398 R CA 1.086 57.171 56.100 -0.025 0.000 0.972 398 R CB -0.419 29.862 30.300 -0.032 0.000 0.869 398 R HN 0.466 nan 8.270 nan 0.000 0.437 399 L N 0.380 121.600 121.223 -0.004 0.000 1.971 399 L HA -0.153 4.185 4.340 -0.004 0.000 0.215 399 L C 1.701 178.453 176.870 -0.197 0.000 1.072 399 L CA 2.031 56.799 54.840 -0.120 0.000 0.758 399 L CB -0.718 41.198 42.059 -0.238 0.000 0.889 399 L HN 0.252 nan 8.230 nan 0.000 0.433 400 W N -0.215 121.109 121.300 0.040 0.000 2.402 400 W HA 0.052 4.710 4.660 -0.004 0.000 0.286 400 W C 2.448 178.982 176.519 0.025 0.000 1.221 400 W CA 0.937 58.289 57.345 0.012 0.000 1.257 400 W CB -0.829 28.625 29.460 -0.010 0.000 1.120 400 W HN 0.334 nan 8.180 nan 0.000 0.551 401 G N 0.580 109.504 108.800 0.206 0.000 2.418 401 G HA2 -0.230 3.727 3.960 -0.004 0.000 0.217 401 G HA3 -0.230 3.727 3.960 -0.004 0.000 0.217 401 G C 1.476 176.450 174.900 0.123 0.000 1.158 401 G CA 0.920 46.098 45.100 0.130 0.000 0.771 401 G HN 0.176 nan 8.290 nan 0.000 0.545 402 K N -0.323 120.139 120.400 0.103 0.000 2.026 402 K HA 0.039 4.356 4.320 -0.004 0.000 0.208 402 K C 2.451 179.148 176.600 0.162 0.000 1.048 402 K CA 0.990 57.358 56.287 0.135 0.000 0.929 402 K CB -0.330 32.247 32.500 0.130 0.000 0.713 402 K HN 0.304 nan 8.250 nan 0.000 0.439 403 L N 1.440 122.713 121.223 0.082 0.000 1.994 403 L HA -0.273 4.065 4.340 -0.004 0.000 0.208 403 L C 2.354 179.232 176.870 0.013 0.000 1.071 403 L CA 1.617 56.383 54.840 -0.122 0.000 0.745 403 L CB -0.121 41.672 42.059 -0.445 0.000 0.892 403 L HN 0.203 nan 8.230 nan 0.000 0.431 404 Q N -1.195 118.679 119.800 0.123 0.000 2.172 404 Q HA -0.156 4.181 4.340 -0.004 0.000 0.200 404 Q C 2.060 178.166 176.000 0.176 0.000 0.964 404 Q CA 1.897 57.795 55.803 0.159 0.000 0.855 404 Q CB -0.073 28.789 28.738 0.207 0.000 0.918 404 Q HN 0.737 nan 8.270 nan 0.000 0.444 405 T N -2.064 112.620 114.554 0.217 0.000 2.942 405 T HA -0.147 4.200 4.350 -0.004 0.000 0.265 405 T C 1.813 176.659 174.700 0.244 0.000 1.062 405 T CA 0.842 63.141 62.100 0.331 0.000 1.139 405 T CB -0.042 69.062 68.868 0.393 0.000 0.883 405 T HN 0.184 nan 8.240 nan 0.000 0.468 406 Q N 1.148 121.056 119.800 0.180 0.000 2.050 406 Q HA -0.016 4.322 4.340 -0.004 0.000 0.202 406 Q C 2.571 178.593 176.000 0.036 0.000 0.980 406 Q CA 1.715 57.593 55.803 0.126 0.000 0.840 406 Q CB -0.831 28.011 28.738 0.174 0.000 0.898 406 Q HN 0.674 nan 8.270 nan 0.000 0.424 407 G N 1.337 110.159 108.800 0.037 0.000 2.446 407 G HA2 -0.285 3.673 3.960 -0.004 0.000 0.217 407 G HA3 -0.285 3.673 3.960 -0.004 0.000 0.217 407 G C 1.338 176.202 174.900 -0.060 0.000 1.168 407 G CA 0.948 46.049 45.100 0.001 0.000 0.771 407 G HN 0.402 nan 8.290 nan 0.000 0.551 408 L N 1.687 122.881 121.223 -0.048 0.000 2.083 408 L HA 0.147 4.484 4.340 -0.004 0.000 0.209 408 L C 2.702 179.311 176.870 -0.434 0.000 1.083 408 L CA 2.371 57.136 54.840 -0.126 0.000 0.752 408 L CB -1.026 41.071 42.059 0.063 0.000 0.899 408 L HN 0.149 nan 8.230 nan 0.000 0.433 409 G N -1.862 106.533 108.800 -0.675 0.000 2.408 409 G HA2 -0.217 3.741 3.960 -0.004 0.000 0.217 409 G HA3 -0.217 3.741 3.960 -0.004 0.000 0.217 409 G C 1.404 176.143 174.900 -0.269 0.000 1.150 409 G CA 1.091 45.721 45.100 -0.783 0.000 0.776 409 G HN 0.446 nan 8.290 nan 0.000 0.542 410 T N 1.752 116.209 114.554 -0.161 0.000 2.737 410 T HA 0.037 4.384 4.350 -0.004 0.000 0.265 410 T C 2.846 177.483 174.700 -0.105 0.000 1.038 410 T CA 1.433 63.482 62.100 -0.084 0.000 1.144 410 T CB -0.424 68.410 68.868 -0.056 0.000 0.866 410 T HN 0.362 nan 8.240 nan 0.000 0.434 411 A N 1.506 124.232 122.820 -0.156 0.000 1.892 411 A HA -0.087 4.230 4.320 -0.004 0.000 0.218 411 A C 2.330 179.784 177.584 -0.217 0.000 1.188 411 A CA 1.483 53.399 52.037 -0.203 0.000 0.631 411 A CB -1.000 17.875 19.000 -0.207 0.000 0.822 411 A HN 0.481 nan 8.150 nan 0.000 0.447 412 L N -0.807 120.315 121.223 -0.168 0.000 2.056 412 L HA -0.213 4.124 4.340 -0.004 0.000 0.207 412 L C 2.606 179.534 176.870 0.096 0.000 1.078 412 L CA 1.910 56.693 54.840 -0.095 0.000 0.749 412 L CB -0.533 41.522 42.059 -0.007 0.000 0.901 412 L HN 0.533 nan 8.230 nan 0.000 0.433 413 K N 1.123 121.595 120.400 0.121 0.000 2.015 413 K HA -0.267 4.051 4.320 -0.004 0.000 0.220 413 K C 2.075 178.769 176.600 0.157 0.000 1.055 413 K CA 2.093 58.497 56.287 0.194 0.000 0.951 413 K CB -0.314 32.260 32.500 0.123 0.000 0.725 413 K HN 0.150 nan 8.250 nan 0.000 0.449 414 I N 1.217 121.810 120.570 0.039 0.000 2.113 414 I HA -0.364 3.804 4.170 -0.004 0.000 0.242 414 I C 2.351 178.353 176.117 -0.191 0.000 1.064 414 I CA 1.540 62.804 61.300 -0.061 0.000 1.320 414 I CB -0.329 37.592 38.000 -0.132 0.000 1.028 414 I HN 0.289 nan 8.210 nan 0.000 0.406 415 L N -0.767 120.250 121.223 -0.342 0.000 2.127 415 L HA -0.214 4.123 4.340 -0.004 0.000 0.211 415 L C 2.090 178.719 176.870 -0.401 0.000 1.089 415 L CA 1.269 55.742 54.840 -0.613 0.000 0.757 415 L CB -0.486 40.798 42.059 -1.292 0.000 0.899 415 L HN 0.186 nan 8.230 nan 0.000 0.434 416 F N -1.109 118.807 119.950 -0.057 0.000 2.811 416 F HA 0.019 4.543 4.527 -0.004 0.000 0.301 416 F C 1.696 177.511 175.800 0.025 0.000 1.151 416 F CA 0.378 58.434 58.000 0.093 0.000 1.412 416 F CB 0.071 39.167 39.000 0.161 0.000 1.113 416 F HN -0.139 nan 8.300 nan 0.000 0.579 417 S N -0.712 115.047 115.700 0.098 0.000 2.581 417 S HA 0.070 4.538 4.470 -0.004 0.000 0.245 417 S C 1.505 176.039 174.600 -0.110 0.000 1.115 417 S CA -0.261 57.952 58.200 0.021 0.000 1.093 417 S CB -0.006 63.178 63.200 -0.027 0.000 0.853 417 S HN 0.317 nan 8.310 nan 0.000 0.479 418 E N 2.136 122.292 120.200 -0.073 0.000 2.051 418 E HA -0.138 4.209 4.350 -0.004 0.000 0.192 418 E C 1.975 178.533 176.600 -0.070 0.000 0.991 418 E CA 1.170 57.507 56.400 -0.104 0.000 0.799 418 E CB 0.078 29.730 29.700 -0.081 0.000 0.748 418 E HN 0.346 nan 8.360 nan 0.000 0.449 419 K N 0.123 120.519 120.400 -0.008 0.000 2.057 419 K HA -0.135 4.182 4.320 -0.004 0.000 0.207 419 K C 2.111 178.719 176.600 0.013 0.000 1.049 419 K CA 1.134 57.434 56.287 0.022 0.000 0.931 419 K CB -0.050 32.496 32.500 0.076 0.000 0.714 419 K HN 0.140 nan 8.250 nan 0.000 0.440 420 L N 0.516 121.745 121.223 0.010 0.000 2.093 420 L HA -0.142 4.196 4.340 -0.004 0.000 0.208 420 L C 2.197 179.024 176.870 -0.072 0.000 1.085 420 L CA 0.974 55.826 54.840 0.019 0.000 0.755 420 L CB -0.254 41.862 42.059 0.095 0.000 0.904 420 L HN 0.210 nan 8.230 nan 0.000 0.435 421 I N -0.576 119.869 120.570 -0.209 0.000 2.716 421 I HA -0.121 4.047 4.170 -0.004 0.000 0.259 421 I C 2.637 178.683 176.117 -0.118 0.000 1.172 421 I CA 0.673 61.811 61.300 -0.270 0.000 1.478 421 I CB -0.277 37.474 38.000 -0.416 0.000 1.104 421 I HN 0.148 nan 8.210 nan 0.000 0.439 422 A N 0.894 123.666 122.820 -0.080 0.000 1.874 422 A HA -0.068 4.249 4.320 -0.004 0.000 0.214 422 A C 1.578 179.154 177.584 -0.013 0.000 1.189 422 A CA 1.140 53.152 52.037 -0.041 0.000 0.615 422 A CB -0.433 18.548 19.000 -0.032 0.000 0.830 422 A HN 0.317 nan 8.150 nan 0.000 0.443 423 N N -0.021 118.681 118.700 0.002 0.000 2.482 423 N HA 0.117 4.854 4.740 -0.004 0.000 0.220 423 N C -0.069 175.460 175.510 0.032 0.000 1.255 423 N CA 0.146 53.210 53.050 0.022 0.000 0.850 423 N CB -0.401 38.108 38.487 0.037 0.000 1.127 423 N HN 0.622 nan 8.380 nan 0.000 0.475 424 M N 1.567 121.179 119.600 0.020 0.000 2.185 424 M HA 0.263 4.740 4.480 -0.004 0.000 0.357 424 M C -2.058 174.253 176.300 0.017 0.000 1.260 424 M CA -1.473 53.847 55.300 0.034 0.000 1.124 424 M CB 0.696 33.315 32.600 0.032 0.000 1.600 424 M HN -0.095 nan 8.290 nan 0.000 0.467 425 P HA -0.046 nan 4.420 nan 0.000 0.264 425 P C -0.728 176.559 177.300 -0.022 0.000 1.179 425 P CA 0.448 63.543 63.100 -0.008 0.000 0.763 425 P CB 0.393 32.073 31.700 -0.032 0.000 0.806 426 E N 0.497 120.686 120.200 -0.018 0.000 2.190 426 E HA -0.011 4.336 4.350 -0.004 0.000 0.191 426 E C 0.769 177.351 176.600 -0.030 0.000 0.978 426 E CA 0.832 57.220 56.400 -0.020 0.000 0.839 426 E CB 0.159 29.854 29.700 -0.008 0.000 0.787 426 E HN 0.390 nan 8.360 nan 0.000 0.473 427 S N -0.549 115.131 115.700 -0.034 0.000 2.744 427 S HA 0.179 4.646 4.470 -0.004 0.000 0.265 427 S C 0.560 175.128 174.600 -0.053 0.000 1.065 427 S CA -0.080 58.098 58.200 -0.037 0.000 1.191 427 S CB 1.444 64.631 63.200 -0.021 0.000 1.150 427 S HN 0.247 nan 8.310 nan 0.000 0.646 428 G N 2.650 111.410 108.800 -0.067 0.000 2.588 428 G HA2 0.498 4.455 3.960 -0.004 0.000 0.278 428 G HA3 0.498 4.455 3.960 -0.004 0.000 0.278 428 G C -3.122 171.682 174.900 -0.161 0.000 1.307 428 G CA -1.254 43.788 45.100 -0.097 0.000 1.016 428 G HN 0.088 nan 8.290 nan 0.000 0.503 429 P HA 0.299 nan 4.420 nan 0.000 0.284 429 P C -0.567 176.373 177.300 -0.599 0.000 1.253 429 P CA -0.351 62.535 63.100 -0.358 0.000 0.800 429 P CB 1.661 33.150 31.700 -0.351 0.000 0.961 430 S N 1.738 117.192 115.700 -0.410 0.000 2.457 430 S HA 0.318 4.785 4.470 -0.004 0.000 0.289 430 S C 0.016 174.434 174.600 -0.302 0.000 1.163 430 S CA -0.194 57.831 58.200 -0.291 0.000 1.078 430 S CB -0.106 63.118 63.200 0.039 0.000 0.987 430 S HN 0.269 nan 8.310 nan 0.000 0.482 431 Y N 2.320 122.657 120.300 0.061 0.000 2.500 431 Y HA 0.282 4.829 4.550 -0.005 0.000 0.284 431 Y C 2.181 178.140 175.900 0.098 0.000 1.118 431 Y CA -0.009 58.101 58.100 0.016 0.000 1.241 431 Y CB -0.173 38.277 38.460 -0.017 0.000 1.171 431 Y HN 0.570 nan 8.280 nan 0.000 0.540 432 E N -0.241 120.129 120.200 0.283 0.000 2.347 432 E HA -0.044 4.303 4.350 -0.004 0.000 0.196 432 E C -0.568 176.257 176.600 0.376 0.000 1.008 432 E CA 0.627 57.198 56.400 0.285 0.000 0.852 432 E CB 0.012 29.852 29.700 0.234 0.000 0.783 432 E HN 0.296 nan 8.360 nan 0.000 0.505 433 F N 0.166 120.246 119.950 0.216 0.000 2.623 433 F HA 0.382 4.907 4.527 -0.004 0.000 0.323 433 F C -1.357 174.635 175.800 0.321 0.000 1.158 433 F CA -0.877 57.256 58.000 0.221 0.000 1.030 433 F CB 1.416 40.507 39.000 0.152 0.000 1.280 433 F HN -0.150 nan 8.300 nan 0.000 0.474 434 H N 5.074 123.626 119.070 -0.863 0.000 3.046 434 H HA 0.788 5.341 4.556 -0.005 0.000 0.363 434 H C -2.085 172.801 175.328 -0.737 0.000 1.203 434 H CA -0.739 55.013 56.048 -0.493 0.000 1.169 434 H CB 1.804 31.550 29.762 -0.027 0.000 1.851 434 H HN 0.685 nan 8.280 nan 0.000 0.546 435 L N 3.417 123.860 121.223 -1.300 0.000 2.410 435 L HA 0.458 4.795 4.340 -0.004 0.000 0.270 435 L C 0.313 176.740 176.870 -0.738 0.000 0.983 435 L CA -1.028 53.294 54.840 -0.864 0.000 0.822 435 L CB 2.177 43.821 42.059 -0.692 0.000 1.285 435 L HN 0.836 nan 8.230 nan 0.000 0.409 436 T N -1.865 112.496 114.554 -0.321 0.000 2.726 436 T HA 0.178 4.525 4.350 -0.004 0.000 0.294 436 T C 1.097 175.870 174.700 0.122 0.000 1.013 436 T CA -0.312 61.786 62.100 -0.003 0.000 0.996 436 T CB 1.342 70.273 68.868 0.105 0.000 1.016 436 T HN 0.746 nan 8.240 nan 0.000 0.529 437 R N 0.201 120.820 120.500 0.198 0.000 2.088 437 R HA -0.186 4.151 4.340 -0.004 0.000 0.232 437 R C 2.573 178.978 176.300 0.176 0.000 1.136 437 R CA 1.917 58.137 56.100 0.201 0.000 0.926 437 R CB -0.682 29.691 30.300 0.122 0.000 0.837 437 R HN 0.861 nan 8.270 nan 0.000 0.429 438 Q N 0.159 120.051 119.800 0.155 0.000 2.156 438 Q HA -0.264 4.073 4.340 -0.004 0.000 0.211 438 Q C 1.867 178.025 176.000 0.263 0.000 0.995 438 Q CA 2.422 58.337 55.803 0.188 0.000 0.877 438 Q CB -0.029 28.755 28.738 0.078 0.000 0.920 438 Q HN 0.548 nan 8.270 nan 0.000 0.416 439 E N -0.242 120.066 120.200 0.180 0.000 2.106 439 E HA -0.160 4.187 4.350 -0.004 0.000 0.192 439 E C 1.964 178.695 176.600 0.218 0.000 0.984 439 E CA 1.136 57.625 56.400 0.148 0.000 0.806 439 E CB -0.016 29.704 29.700 0.034 0.000 0.750 439 E HN 0.429 nan 8.360 nan 0.000 0.458 440 I N 0.220 120.980 120.570 0.317 0.000 2.286 440 I HA -0.219 3.948 4.170 -0.004 0.000 0.245 440 I C 2.220 178.734 176.117 0.661 0.000 1.104 440 I CA 0.571 62.201 61.300 0.549 0.000 1.397 440 I CB -0.060 38.350 38.000 0.684 0.000 1.072 440 I HN -0.014 nan 8.210 nan 0.000 0.417 441 V N 0.837 121.039 119.914 0.480 0.000 2.343 441 V HA -0.290 3.828 4.120 -0.004 0.000 0.247 441 V C 2.676 178.962 176.094 0.320 0.000 1.051 441 V CA 2.318 64.887 62.300 0.449 0.000 1.036 441 V CB -0.900 31.093 31.823 0.283 0.000 0.654 441 V HN 0.618 nan 8.190 nan 0.000 0.451 442 S N 0.179 115.988 115.700 0.182 0.000 2.383 442 S HA -0.170 4.297 4.470 -0.004 0.000 0.227 442 S C 1.977 176.631 174.600 0.090 0.000 1.026 442 S CA 1.537 59.730 58.200 -0.012 0.000 0.981 442 S CB -0.559 62.648 63.200 0.011 0.000 0.818 442 S HN 0.371 nan 8.310 nan 0.000 0.472 443 L N 0.690 122.002 121.223 0.149 0.000 1.970 443 L HA 0.081 4.418 4.340 -0.004 0.000 0.212 443 L C 2.175 179.042 176.870 -0.005 0.000 1.071 443 L CA 1.897 56.752 54.840 0.026 0.000 0.751 443 L CB -1.058 40.977 42.059 -0.041 0.000 0.889 443 L HN 0.328 nan 8.230 nan 0.000 0.432 444 F N -0.222 119.801 119.950 0.122 0.000 2.206 444 F HA -0.120 4.404 4.527 -0.004 0.000 0.298 444 F C 2.473 178.311 175.800 0.064 0.000 1.090 444 F CA 1.350 59.375 58.000 0.041 0.000 1.323 444 F CB -0.623 38.297 39.000 -0.133 0.000 1.028 444 F HN 0.208 nan 8.300 nan 0.000 0.492 445 N N 0.372 119.243 118.700 0.286 0.000 2.166 445 N HA -0.161 4.577 4.740 -0.004 0.000 0.186 445 N C 2.036 177.664 175.510 0.198 0.000 1.019 445 N CA 1.271 54.454 53.050 0.222 0.000 0.856 445 N CB -0.397 38.205 38.487 0.190 0.000 0.993 445 N HN 0.272 nan 8.380 nan 0.000 0.426 446 A N 0.755 123.668 122.820 0.155 0.000 1.902 446 A HA -0.144 4.173 4.320 -0.004 0.000 0.217 446 A C 2.016 179.686 177.584 0.143 0.000 1.181 446 A CA 0.968 53.087 52.037 0.138 0.000 0.623 446 A CB -0.822 18.237 19.000 0.097 0.000 0.818 446 A HN 0.303 nan 8.150 nan 0.000 0.443 447 F N 1.071 121.003 119.950 -0.030 0.000 2.206 447 F HA 0.102 4.626 4.527 -0.005 0.000 0.298 447 F C 2.292 178.099 175.800 0.011 0.000 1.090 447 F CA 1.026 58.984 58.000 -0.070 0.000 1.323 447 F CB -0.700 38.186 39.000 -0.191 0.000 1.028 447 F HN 0.207 nan 8.300 nan 0.000 0.492 448 G N 0.986 109.822 108.800 0.061 0.000 2.505 448 G HA2 -0.292 3.665 3.960 -0.004 0.000 0.220 448 G HA3 -0.292 3.665 3.960 -0.004 0.000 0.220 448 G C 1.829 176.732 174.900 0.006 0.000 1.145 448 G CA 0.850 45.955 45.100 0.008 0.000 0.761 448 G HN 0.198 nan 8.290 nan 0.000 0.571 449 R N 0.214 120.728 120.500 0.023 0.000 2.075 449 R HA 0.052 4.389 4.340 -0.004 0.000 0.232 449 R C 2.550 178.891 176.300 0.068 0.000 1.126 449 R CA 0.623 56.731 56.100 0.014 0.000 0.963 449 R CB -0.914 29.308 30.300 -0.129 0.000 0.858 449 R HN 0.363 nan 8.270 nan 0.000 0.435 450 I N 0.721 121.281 120.570 -0.016 0.000 2.286 450 I HA -0.170 3.998 4.170 -0.004 0.000 0.248 450 I C 2.404 178.473 176.117 -0.081 0.000 1.115 450 I CA 1.213 62.496 61.300 -0.028 0.000 1.392 450 I CB -1.369 36.627 38.000 -0.007 0.000 1.065 450 I HN 0.114 nan 8.210 nan 0.000 0.418 451 S N 0.363 115.946 115.700 -0.194 0.000 2.383 451 S HA -0.149 4.319 4.470 -0.004 0.000 0.227 451 S C 2.055 176.617 174.600 -0.064 0.000 1.026 451 S CA 2.072 60.190 58.200 -0.136 0.000 0.981 451 S CB -0.194 62.904 63.200 -0.170 0.000 0.818 451 S HN 0.475 nan 8.310 nan 0.000 0.472 452 T N 0.906 115.473 114.554 0.022 0.000 2.857 452 T HA 0.046 4.394 4.350 -0.004 0.000 0.266 452 T C 2.090 176.671 174.700 -0.198 0.000 1.048 452 T CA 1.264 63.360 62.100 -0.007 0.000 1.139 452 T CB -0.405 68.516 68.868 0.087 0.000 0.874 452 T HN 0.363 nan 8.240 nan 0.000 0.455 453 S N 0.769 116.406 115.700 -0.105 0.000 2.368 453 S HA -0.083 4.384 4.470 -0.004 0.000 0.225 453 S C 2.255 176.715 174.600 -0.234 0.000 1.030 453 S CA 0.740 58.853 58.200 -0.144 0.000 0.999 453 S CB -0.410 62.786 63.200 -0.006 0.000 0.844 453 S HN 0.252 nan 8.310 nan 0.000 0.459 454 V N 1.705 121.438 119.914 -0.301 0.000 2.295 454 V HA -0.182 3.936 4.120 -0.004 0.000 0.246 454 V C 2.412 178.314 176.094 -0.320 0.000 1.049 454 V CA 1.924 63.991 62.300 -0.388 0.000 1.024 454 V CB -0.545 30.951 31.823 -0.545 0.000 0.648 454 V HN 0.337 nan 8.190 nan 0.000 0.447 455 K N 0.370 120.529 120.400 -0.402 0.000 2.063 455 K HA -0.201 4.116 4.320 -0.004 0.000 0.208 455 K C 2.045 178.412 176.600 -0.389 0.000 1.048 455 K CA 1.609 57.584 56.287 -0.520 0.000 0.928 455 K CB -0.348 31.594 32.500 -0.930 0.000 0.713 455 K HN 0.379 nan 8.250 nan 0.000 0.442 456 E N 0.426 120.438 120.200 -0.314 0.000 2.153 456 E HA -0.135 4.213 4.350 -0.004 0.000 0.194 456 E C 2.029 178.533 176.600 -0.159 0.000 0.988 456 E CA 0.869 57.130 56.400 -0.232 0.000 0.811 456 E CB -0.196 29.404 29.700 -0.168 0.000 0.746 456 E HN 0.368 nan 8.360 nan 0.000 0.466 457 L N 0.679 121.834 121.223 -0.114 0.000 2.042 457 L HA -0.205 4.132 4.340 -0.004 0.000 0.210 457 L C 2.619 179.451 176.870 -0.065 0.000 1.076 457 L CA 1.449 56.264 54.840 -0.042 0.000 0.749 457 L CB -0.464 41.586 42.059 -0.016 0.000 0.893 457 L HN 0.189 nan 8.230 nan 0.000 0.432 458 E N 0.389 120.515 120.200 -0.122 0.000 2.077 458 E HA -0.229 4.118 4.350 -0.004 0.000 0.193 458 E C 1.911 178.406 176.600 -0.174 0.000 0.989 458 E CA 1.199 57.528 56.400 -0.118 0.000 0.800 458 E CB 0.129 29.746 29.700 -0.138 0.000 0.746 458 E HN 0.464 nan 8.360 nan 0.000 0.452 459 N N 0.095 118.627 118.700 -0.280 0.000 2.069 459 N HA -0.161 4.576 4.740 -0.004 0.000 0.191 459 N C 1.646 176.874 175.510 -0.470 0.000 1.031 459 N CA 1.111 53.904 53.050 -0.427 0.000 0.852 459 N CB -0.565 37.569 38.487 -0.588 0.000 1.018 459 N HN 0.176 nan 8.380 nan 0.000 0.423 460 F N 1.640 121.358 119.950 -0.386 0.000 2.134 460 F HA -0.018 4.507 4.527 -0.004 0.000 0.299 460 F C 2.470 178.125 175.800 -0.241 0.000 1.097 460 F CA 0.907 58.639 58.000 -0.448 0.000 1.264 460 F CB -0.320 38.055 39.000 -1.041 0.000 1.001 460 F HN -0.035 nan 8.300 nan 0.000 0.479 461 R N 0.198 120.702 120.500 0.007 0.000 2.096 461 R HA -0.200 4.138 4.340 -0.004 0.000 0.240 461 R C 1.965 178.256 176.300 -0.014 0.000 1.139 461 R CA 1.717 57.831 56.100 0.025 0.000 0.952 461 R CB -0.570 29.742 30.300 0.021 0.000 0.854 461 R HN 0.286 nan 8.270 nan 0.000 0.436 462 N N 0.632 119.291 118.700 -0.068 0.000 2.244 462 N HA -0.109 4.628 4.740 -0.004 0.000 0.183 462 N C 1.840 177.298 175.510 -0.086 0.000 1.016 462 N CA 0.965 53.968 53.050 -0.078 0.000 0.866 462 N CB -0.105 38.321 38.487 -0.101 0.000 0.980 462 N HN 0.224 nan 8.380 nan 0.000 0.430 463 L N 0.349 121.499 121.223 -0.121 0.000 2.217 463 L HA 0.005 4.343 4.340 -0.004 0.000 0.211 463 L C 1.770 178.635 176.870 -0.008 0.000 1.107 463 L CA 0.471 55.255 54.840 -0.094 0.000 0.783 463 L CB -0.205 41.759 42.059 -0.160 0.000 0.919 463 L HN 0.062 nan 8.230 nan 0.000 0.442 464 L N -0.806 120.435 121.223 0.031 0.000 2.610 464 L HA -0.042 4.296 4.340 -0.004 0.000 0.232 464 L C 1.135 178.025 176.870 0.034 0.000 1.149 464 L CA 0.238 55.114 54.840 0.059 0.000 0.872 464 L CB -0.284 41.837 42.059 0.104 0.000 0.992 464 L HN 0.341 nan 8.230 nan 0.000 0.447 465 Q N 0.000 119.808 119.800 0.012 0.000 2.315 465 Q HA 0.000 4.337 4.340 -0.004 0.000 0.214 465 Q CA 0.000 55.807 55.803 0.006 0.000 1.022 465 Q CB 0.000 28.737 28.738 -0.001 0.000 1.108 465 Q HN 0.000 nan 8.270 nan 0.000 0.481