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 3odu_1_A DATA FIRST_RESID 27 DATA SEQUENCE PcFREENANF NKIFLPTIYS IIFLTGIVGN GLVILVMGYQ KKLRSMTDKY DATA SEQUENCE RLHLSVADLL FVITLPFWAV DAVANWYFGN FLcKAVHVIY TVNLYSSVWI DATA SEQUENCE LAFISLDRYL AIVHATNSQR PRKLLAEKVV YVGVWIPALL LTIPDFIFAN DATA SEQUENCE VSEADDRYIc DRFYPNDLWV VVFQFQHIMV GLILPGIVIL SCYCIIISKL DATA SEQUENCE SHSKGHQKRK ALKTTVILIL AFFACWLPYY IGISIDSFIL LEIIKQGcEF DATA SEQUENCE ENTVHKWISI TEALAFFHCC LNPILYAFLG AKFKTSAQHA LTSGRPLEVL DATA SEQUENCE FQXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXGSXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXNIFEM LRIDEGLRLK IYKDTEGYYT DATA SEQUENCE IGIGHLLTKS PSLNAAKSEL DKAIGRNTNG VITKDEAEKL FNQDVDAAVR DATA SEQUENCE GILRNAKLKP VYDSLDAVRR AALINMVFQM GETGVAGFTN SLRMLQQKRW DATA SEQUENCE DEAAVNLAKS RWYNQTPNRA KRVITTFRTG TWDAYXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXGS 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 27 P HA 0.000 nan 4.420 nan 0.000 0.216 27 P C 0.000 177.040 177.300 -0.434 0.000 1.155 27 P CA 0.000 62.911 63.100 -0.314 0.000 0.800 27 P CB 0.000 31.435 31.700 -0.442 0.000 0.726 28 c N 1.781 120.168 118.600 -0.354 0.000 2.514 28 c HA 0.651 5.173 4.570 -0.080 0.000 0.392 28 c C 0.120 173.967 174.090 -0.405 0.000 1.294 28 c CA -0.248 55.928 56.329 -0.254 0.000 1.957 28 c CB -1.322 41.129 42.510 -0.099 0.000 2.541 28 c HN 0.381 nan 8.230 nan 0.000 0.569 29 F N 1.180 121.137 119.950 0.012 0.000 2.507 29 F HA 0.562 5.041 4.527 -0.080 0.000 0.327 29 F C 0.530 176.321 175.800 -0.016 0.000 1.068 29 F CA -0.954 57.047 58.000 0.002 0.000 0.965 29 F CB 0.940 39.943 39.000 0.006 0.000 1.192 29 F HN 0.418 nan 8.300 nan 0.000 0.476 30 R N 1.740 122.344 120.500 0.175 0.000 2.242 30 R HA 0.316 4.607 4.340 -0.080 0.000 0.334 30 R C -1.227 175.107 176.300 0.057 0.000 1.071 30 R CA 0.002 56.122 56.100 0.033 0.000 0.922 30 R CB 0.111 30.377 30.300 -0.058 0.000 1.023 30 R HN 0.553 nan 8.270 nan 0.000 0.458 31 E N 2.967 123.198 120.200 0.051 0.000 2.166 31 E HA 0.165 4.467 4.350 -0.080 0.000 0.275 31 E C -0.835 175.804 176.600 0.064 0.000 0.941 31 E CA -0.626 55.807 56.400 0.054 0.000 0.784 31 E CB 1.291 31.029 29.700 0.063 0.000 1.115 31 E HN 0.447 nan 8.360 nan 0.000 0.399 32 E N 2.088 122.329 120.200 0.069 0.000 2.316 32 E HA 0.086 4.388 4.350 -0.080 0.000 0.275 32 E C -0.181 176.472 176.600 0.089 0.000 1.029 32 E CA -0.516 55.946 56.400 0.103 0.000 0.871 32 E CB 0.636 30.395 29.700 0.098 0.000 1.022 32 E HN 0.293 nan 8.360 nan 0.000 0.418 33 N N 1.216 119.976 118.700 0.100 0.000 2.530 33 N HA 0.165 4.857 4.740 -0.080 0.000 0.273 33 N C -0.199 175.351 175.510 0.066 0.000 1.173 33 N CA 0.170 53.266 53.050 0.076 0.000 0.967 33 N CB 1.374 39.902 38.487 0.068 0.000 1.109 33 N HN 0.441 nan 8.380 nan 0.000 0.453 34 A N 3.563 126.421 122.820 0.063 0.000 1.993 34 A HA 0.023 4.295 4.320 -0.080 0.000 0.202 34 A C 1.630 179.258 177.584 0.072 0.000 1.461 34 A CA 0.619 52.691 52.037 0.058 0.000 0.824 34 A CB -0.820 18.210 19.000 0.050 0.000 1.024 34 A HN 0.888 nan 8.150 nan 0.000 0.507 35 N N -1.468 117.285 118.700 0.089 0.000 2.060 35 N HA -0.242 4.449 4.740 -0.080 0.000 0.195 35 N C 1.568 177.193 175.510 0.192 0.000 1.028 35 N CA 2.072 55.190 53.050 0.114 0.000 0.861 35 N CB -0.339 38.208 38.487 0.100 0.000 1.029 35 N HN 0.346 nan 8.380 nan 0.000 0.428 36 F N 0.960 120.892 119.950 -0.030 0.000 2.383 36 F HA 0.298 4.777 4.527 -0.080 0.000 0.287 36 F C 1.669 177.468 175.800 -0.001 0.000 1.069 36 F CA 0.128 58.105 58.000 -0.040 0.000 1.402 36 F CB -0.213 38.699 39.000 -0.147 0.000 1.116 36 F HN -0.108 nan 8.300 nan 0.000 0.549 37 N N 0.536 119.252 118.700 0.026 0.000 2.309 37 N HA -0.122 4.570 4.740 -0.080 0.000 0.182 37 N C 1.266 176.757 175.510 -0.031 0.000 1.018 37 N CA 1.085 54.111 53.050 -0.040 0.000 0.876 37 N CB -0.185 38.293 38.487 -0.014 0.000 0.972 37 N HN 0.237 nan 8.380 nan 0.000 0.434 38 K N -0.195 120.204 120.400 -0.002 0.000 2.487 38 K HA 0.139 4.411 4.320 -0.080 0.000 0.192 38 K C 0.913 177.499 176.600 -0.024 0.000 1.027 38 K CA 0.537 56.831 56.287 0.012 0.000 1.054 38 K CB 0.502 33.021 32.500 0.033 0.000 0.824 38 K HN 0.319 nan 8.250 nan 0.000 0.510 39 I N -1.051 119.471 120.570 -0.079 0.000 3.718 39 I HA -0.023 4.099 4.170 -0.080 0.000 0.297 39 I C 1.750 177.733 176.117 -0.223 0.000 1.220 39 I CA 0.114 61.342 61.300 -0.120 0.000 1.381 39 I CB 0.095 38.033 38.000 -0.104 0.000 1.238 39 I HN -0.081 nan 8.210 nan 0.000 0.448 40 F N 1.570 121.212 119.950 -0.514 0.000 2.149 40 F HA -0.060 4.419 4.527 -0.080 0.000 0.294 40 F C 2.173 177.702 175.800 -0.452 0.000 1.095 40 F CA 1.577 59.206 58.000 -0.618 0.000 1.276 40 F CB 0.078 38.470 39.000 -1.013 0.000 1.023 40 F HN -0.165 nan 8.300 nan 0.000 0.480 41 L N 0.779 121.828 121.223 -0.291 0.000 1.994 41 L HA -0.167 4.125 4.340 -0.080 0.000 0.208 41 L C -0.499 175.953 176.870 -0.697 0.000 1.071 41 L CA 1.274 55.766 54.840 -0.580 0.000 0.745 41 L CB -2.295 39.542 42.059 -0.369 0.000 0.892 41 L HN 0.085 nan 8.230 nan 0.000 0.431 42 P HA -0.173 nan 4.420 nan 0.000 0.216 42 P C 1.484 178.712 177.300 -0.120 0.000 1.150 42 P CA 1.715 64.804 63.100 -0.019 0.000 0.843 42 P CB -0.238 31.478 31.700 0.027 0.000 0.787 43 T N 0.786 115.190 114.554 -0.251 0.000 2.684 43 T HA -0.115 4.186 4.350 -0.080 0.000 0.267 43 T C 1.927 176.443 174.700 -0.307 0.000 1.036 43 T CA 1.170 63.103 62.100 -0.278 0.000 1.148 43 T CB -0.585 68.045 68.868 -0.397 0.000 0.863 43 T HN -0.014 nan 8.240 nan 0.000 0.436 44 I N 0.146 120.431 120.570 -0.475 0.000 2.252 44 I HA -0.087 4.034 4.170 -0.080 0.000 0.245 44 I C 2.297 178.257 176.117 -0.262 0.000 1.102 44 I CA 1.360 62.403 61.300 -0.429 0.000 1.385 44 I CB -1.226 36.460 38.000 -0.524 0.000 1.064 44 I HN 0.226 nan 8.210 nan 0.000 0.414 45 Y N 1.570 121.776 120.300 -0.157 0.000 2.097 45 Y HA -0.184 4.318 4.550 -0.080 0.000 0.282 45 Y C 3.044 178.892 175.900 -0.087 0.000 1.152 45 Y CA 1.051 59.084 58.100 -0.112 0.000 1.136 45 Y CB -1.473 36.967 38.460 -0.033 0.000 0.975 45 Y HN 0.109 nan 8.280 nan 0.000 0.498 46 S N 0.122 115.880 115.700 0.097 0.000 2.383 46 S HA -0.176 4.246 4.470 -0.080 0.000 0.229 46 S C 2.142 176.796 174.600 0.090 0.000 1.030 46 S CA 1.491 59.754 58.200 0.105 0.000 1.002 46 S CB -0.578 62.648 63.200 0.042 0.000 0.829 46 S HN 0.357 nan 8.310 nan 0.000 0.467 47 I N 1.152 121.705 120.570 -0.027 0.000 2.163 47 I HA -0.153 3.969 4.170 -0.080 0.000 0.240 47 I C 1.948 177.996 176.117 -0.114 0.000 1.081 47 I CA 0.879 62.141 61.300 -0.064 0.000 1.353 47 I CB -0.360 37.592 38.000 -0.079 0.000 1.054 47 I HN 0.244 nan 8.210 nan 0.000 0.407 48 I N 0.588 121.026 120.570 -0.220 0.000 2.208 48 I HA -0.309 3.813 4.170 -0.080 0.000 0.245 48 I C 2.533 178.571 176.117 -0.132 0.000 1.097 48 I CA 1.665 62.812 61.300 -0.256 0.000 1.363 48 I CB -1.409 36.401 38.000 -0.317 0.000 1.051 48 I HN 0.204 nan 8.210 nan 0.000 0.413 49 F N 1.879 121.718 119.950 -0.185 0.000 2.043 49 F HA -0.245 4.234 4.527 -0.080 0.000 0.297 49 F C 2.380 178.109 175.800 -0.118 0.000 1.121 49 F CA 1.837 59.735 58.000 -0.170 0.000 1.199 49 F CB -0.721 38.188 39.000 -0.152 0.000 0.968 49 F HN -0.064 nan 8.300 nan 0.000 0.478 50 L N -0.052 120.944 121.223 -0.378 0.000 1.994 50 L HA -0.214 4.078 4.340 -0.080 0.000 0.208 50 L C 2.649 179.336 176.870 -0.305 0.000 1.071 50 L CA 2.027 56.599 54.840 -0.447 0.000 0.745 50 L CB -1.257 40.704 42.059 -0.162 0.000 0.892 50 L HN 0.392 nan 8.230 nan 0.000 0.431 51 T N -3.519 110.932 114.554 -0.172 0.000 2.951 51 T HA -0.052 4.250 4.350 -0.080 0.000 0.268 51 T C 1.837 176.474 174.700 -0.105 0.000 1.073 51 T CA 0.873 62.915 62.100 -0.098 0.000 1.134 51 T CB -0.613 68.248 68.868 -0.012 0.000 0.884 51 T HN 0.390 nan 8.240 nan 0.000 0.479 52 G N 1.080 109.790 108.800 -0.150 0.000 2.408 52 G HA2 0.051 3.962 3.960 -0.080 0.000 0.215 52 G HA3 0.051 3.962 3.960 -0.080 0.000 0.215 52 G C 1.445 176.263 174.900 -0.137 0.000 1.156 52 G CA 0.376 45.408 45.100 -0.113 0.000 0.793 52 G HN 0.532 nan 8.290 nan 0.000 0.535 53 I N 0.620 121.029 120.570 -0.269 0.000 2.226 53 I HA -0.157 3.965 4.170 -0.080 0.000 0.245 53 I C 2.606 178.624 176.117 -0.165 0.000 1.100 53 I CA 0.922 62.069 61.300 -0.257 0.000 1.374 53 I CB 0.110 37.825 38.000 -0.474 0.000 1.057 53 I HN 0.069 nan 8.210 nan 0.000 0.413 54 V N 0.937 120.751 119.914 -0.166 0.000 2.323 54 V HA -0.140 3.932 4.120 -0.080 0.000 0.244 54 V C 2.565 178.622 176.094 -0.061 0.000 1.041 54 V CA 1.893 64.128 62.300 -0.108 0.000 1.025 54 V CB -1.518 30.243 31.823 -0.103 0.000 0.656 54 V HN 0.592 nan 8.190 nan 0.000 0.451 55 G N 0.406 109.181 108.800 -0.042 0.000 2.453 55 G HA2 -0.240 3.672 3.960 -0.080 0.000 0.215 55 G HA3 -0.240 3.672 3.960 -0.080 0.000 0.215 55 G C 1.432 176.352 174.900 0.033 0.000 1.201 55 G CA 0.879 45.983 45.100 0.007 0.000 0.784 55 G HN 0.499 nan 8.290 nan 0.000 0.545 56 N N 1.174 119.893 118.700 0.032 0.000 2.188 56 N HA -0.091 4.601 4.740 -0.080 0.000 0.184 56 N C 2.386 177.920 175.510 0.041 0.000 1.018 56 N CA 1.227 54.314 53.050 0.062 0.000 0.858 56 N CB -0.491 38.040 38.487 0.073 0.000 0.989 56 N HN 0.330 nan 8.380 nan 0.000 0.426 57 G N 1.707 110.509 108.800 0.002 0.000 2.422 57 G HA2 -0.151 3.760 3.960 -0.080 0.000 0.218 57 G HA3 -0.151 3.760 3.960 -0.080 0.000 0.218 57 G C 1.771 176.661 174.900 -0.018 0.000 1.146 57 G CA 0.232 45.324 45.100 -0.013 0.000 0.769 57 G HN 0.170 nan 8.290 nan 0.000 0.547 58 L N 0.123 121.334 121.223 -0.021 0.000 1.989 58 L HA -0.129 4.162 4.340 -0.080 0.000 0.211 58 L C 3.057 179.917 176.870 -0.016 0.000 1.071 58 L CA 0.800 55.623 54.840 -0.027 0.000 0.749 58 L CB -0.551 41.491 42.059 -0.028 0.000 0.890 58 L HN 0.104 nan 8.230 nan 0.000 0.431 59 V N 0.370 120.293 119.914 0.015 0.000 2.252 59 V HA -0.366 3.706 4.120 -0.080 0.000 0.249 59 V C 2.312 178.421 176.094 0.025 0.000 1.056 59 V CA 2.296 64.607 62.300 0.018 0.000 1.022 59 V CB -0.462 31.429 31.823 0.113 0.000 0.641 59 V HN 0.338 nan 8.190 nan 0.000 0.445 60 I N -0.617 119.983 120.570 0.051 0.000 2.208 60 I HA -0.293 3.829 4.170 -0.080 0.000 0.245 60 I C 2.289 178.465 176.117 0.098 0.000 1.097 60 I CA 1.727 63.072 61.300 0.076 0.000 1.363 60 I CB -0.339 37.704 38.000 0.072 0.000 1.051 60 I HN 0.273 nan 8.210 nan 0.000 0.413 61 L N -0.584 120.650 121.223 0.019 0.000 2.095 61 L HA -0.110 4.182 4.340 -0.080 0.000 0.204 61 L C 2.459 179.342 176.870 0.022 0.000 1.080 61 L CA 0.664 55.480 54.840 -0.040 0.000 0.759 61 L CB -0.448 41.541 42.059 -0.117 0.000 0.914 61 L HN 0.030 nan 8.230 nan 0.000 0.439 62 V N -0.638 119.273 119.914 -0.005 0.000 2.453 62 V HA -0.190 3.881 4.120 -0.080 0.000 0.247 62 V C 2.279 178.368 176.094 -0.009 0.000 1.048 62 V CA 1.509 63.795 62.300 -0.022 0.000 1.049 62 V CB -0.108 31.672 31.823 -0.072 0.000 0.672 62 V HN 0.343 nan 8.190 nan 0.000 0.457 63 M N -0.431 119.164 119.600 -0.008 0.000 2.384 63 M HA 0.117 4.549 4.480 -0.080 0.000 0.258 63 M C 2.442 178.767 176.300 0.041 0.000 1.130 63 M CA 1.571 56.865 55.300 -0.010 0.000 1.187 63 M CB -1.091 31.489 32.600 -0.032 0.000 1.307 63 M HN 0.419 nan 8.290 nan 0.000 0.468 64 G N 0.112 108.970 108.800 0.097 0.000 2.606 64 G HA2 -0.274 3.638 3.960 -0.080 0.000 0.221 64 G HA3 -0.274 3.638 3.960 -0.080 0.000 0.221 64 G C 1.013 175.876 174.900 -0.061 0.000 1.152 64 G CA 1.732 46.885 45.100 0.089 0.000 0.765 64 G HN 0.362 nan 8.290 nan 0.000 0.595 65 Y N -0.714 119.566 120.300 -0.034 0.000 2.447 65 Y HA 0.220 4.722 4.550 -0.080 0.000 0.286 65 Y C 3.112 178.996 175.900 -0.027 0.000 1.153 65 Y CA 0.673 58.756 58.100 -0.029 0.000 1.241 65 Y CB -0.582 37.861 38.460 -0.028 0.000 1.284 65 Y HN 0.143 nan 8.280 nan 0.000 0.520 66 Q N 0.611 120.496 119.800 0.140 0.000 2.079 66 Q HA -0.079 4.212 4.340 -0.080 0.000 0.200 66 Q C 0.308 176.322 176.000 0.023 0.000 0.974 66 Q CA 0.800 56.639 55.803 0.060 0.000 0.840 66 Q CB -0.099 28.660 28.738 0.034 0.000 0.898 66 Q HN 0.033 nan 8.270 nan 0.000 0.430 67 K N 1.518 121.924 120.400 0.011 0.000 2.511 67 K HA -0.062 4.210 4.320 -0.080 0.000 0.280 67 K C 0.527 177.122 176.600 -0.008 0.000 1.008 67 K CA 0.632 56.916 56.287 -0.006 0.000 1.050 67 K CB 0.713 33.203 32.500 -0.015 0.000 0.889 67 K HN -0.014 nan 8.250 nan 0.000 0.484 68 K N 1.366 121.763 120.400 -0.004 0.000 2.474 68 K HA 0.234 4.505 4.320 -0.080 0.000 0.202 68 K C 0.028 176.629 176.600 0.002 0.000 1.248 68 K CA 0.096 56.380 56.287 -0.004 0.000 0.946 68 K CB 0.504 33.002 32.500 -0.003 0.000 1.102 68 K HN 0.404 nan 8.250 nan 0.000 0.541 69 L N 2.175 123.402 121.223 0.007 0.000 2.277 69 L HA 0.412 4.703 4.340 -0.080 0.000 0.284 69 L C -1.058 175.825 176.870 0.022 0.000 1.028 69 L CA -0.387 54.462 54.840 0.015 0.000 0.835 69 L CB 0.691 42.760 42.059 0.018 0.000 1.215 69 L HN -0.047 nan 8.230 nan 0.000 0.425 70 R N 2.451 122.965 120.500 0.024 0.000 2.534 70 R HA 0.451 4.742 4.340 -0.080 0.000 0.301 70 R C -0.248 176.082 176.300 0.049 0.000 0.961 70 R CA -0.451 55.670 56.100 0.035 0.000 0.871 70 R CB 2.180 32.493 30.300 0.022 0.000 1.170 70 R HN 0.737 nan 8.270 nan 0.000 0.446 71 S N 2.165 117.909 115.700 0.074 0.000 2.624 71 S HA 0.076 4.498 4.470 -0.080 0.000 0.263 71 S C 1.253 175.908 174.600 0.091 0.000 1.287 71 S CA -0.528 57.725 58.200 0.088 0.000 0.990 71 S CB 0.910 64.177 63.200 0.111 0.000 0.950 71 S HN 0.580 nan 8.310 nan 0.000 0.561 72 M N 1.253 120.916 119.600 0.105 0.000 2.099 72 M HA -0.012 4.420 4.480 -0.080 0.000 0.262 72 M C 2.338 178.771 176.300 0.222 0.000 1.067 72 M CA 1.924 57.295 55.300 0.118 0.000 1.124 72 M CB -1.504 31.201 32.600 0.174 0.000 1.353 72 M HN 0.938 nan 8.290 nan 0.000 0.410 73 T N 0.411 115.121 114.554 0.260 0.000 2.699 73 T HA -0.175 4.127 4.350 -0.080 0.000 0.268 73 T C 1.384 176.256 174.700 0.287 0.000 1.036 73 T CA 1.700 63.981 62.100 0.302 0.000 1.147 73 T CB -0.482 68.508 68.868 0.205 0.000 0.862 73 T HN 0.362 nan 8.240 nan 0.000 0.446 74 D N 1.073 121.613 120.400 0.233 0.000 2.117 74 D HA -0.045 4.547 4.640 -0.080 0.000 0.197 74 D C 2.170 178.578 176.300 0.180 0.000 0.987 74 D CA 1.006 55.152 54.000 0.243 0.000 0.829 74 D CB -0.237 40.681 40.800 0.196 0.000 0.961 74 D HN 0.381 nan 8.370 nan 0.000 0.460 75 K N -0.206 120.249 120.400 0.092 0.000 2.127 75 K HA -0.197 4.075 4.320 -0.080 0.000 0.208 75 K C 2.151 178.818 176.600 0.112 0.000 1.047 75 K CA 1.157 57.455 56.287 0.018 0.000 0.927 75 K CB -0.227 32.199 32.500 -0.124 0.000 0.716 75 K HN 0.232 nan 8.250 nan 0.000 0.450 76 Y N 0.547 120.986 120.300 0.230 0.000 2.286 76 Y HA -0.040 4.462 4.550 -0.081 0.000 0.293 76 Y C 2.022 178.058 175.900 0.227 0.000 1.124 76 Y CA 0.988 59.219 58.100 0.218 0.000 1.178 76 Y CB 0.022 38.558 38.460 0.128 0.000 1.010 76 Y HN -0.057 nan 8.280 nan 0.000 0.536 77 R N -0.646 120.066 120.500 0.353 0.000 2.276 77 R HA -0.053 4.238 4.340 -0.080 0.000 0.203 77 R C 1.812 178.282 176.300 0.283 0.000 1.017 77 R CA 0.470 56.752 56.100 0.304 0.000 1.010 77 R CB -0.248 30.238 30.300 0.311 0.000 0.900 77 R HN 0.255 nan 8.270 nan 0.000 0.469 78 L N -0.023 121.340 121.223 0.232 0.000 2.095 78 L HA -0.080 4.211 4.340 -0.080 0.000 0.204 78 L C 2.000 178.964 176.870 0.157 0.000 1.080 78 L CA 1.806 56.730 54.840 0.141 0.000 0.759 78 L CB -0.431 41.647 42.059 0.032 0.000 0.914 78 L HN 0.175 nan 8.230 nan 0.000 0.439 79 H N -0.996 118.201 119.070 0.212 0.000 2.352 79 H HA -0.156 4.351 4.556 -0.080 0.000 0.299 79 H C 2.140 177.675 175.328 0.346 0.000 1.097 79 H CA 1.930 58.175 56.048 0.328 0.000 1.311 79 H CB -0.051 29.893 29.762 0.302 0.000 1.377 79 H HN 0.276 nan 8.280 nan 0.000 0.504 80 L N 0.711 122.154 121.223 0.367 0.000 1.976 80 L HA -0.144 4.148 4.340 -0.080 0.000 0.209 80 L C 2.472 179.508 176.870 0.277 0.000 1.071 80 L CA 1.566 56.567 54.840 0.269 0.000 0.746 80 L CB -0.883 41.310 42.059 0.222 0.000 0.890 80 L HN -0.010 nan 8.230 nan 0.000 0.432 81 S N -1.281 114.571 115.700 0.252 0.000 2.419 81 S HA -0.157 4.265 4.470 -0.080 0.000 0.235 81 S C 1.954 176.681 174.600 0.211 0.000 1.019 81 S CA 1.240 59.569 58.200 0.215 0.000 0.982 81 S CB -0.356 62.956 63.200 0.187 0.000 0.789 81 S HN 0.342 nan 8.310 nan 0.000 0.490 82 V N 1.520 121.581 119.914 0.245 0.000 2.379 82 V HA -0.140 3.932 4.120 -0.080 0.000 0.245 82 V C 2.572 178.871 176.094 0.343 0.000 1.044 82 V CA 1.499 63.942 62.300 0.238 0.000 1.036 82 V CB -1.140 30.794 31.823 0.185 0.000 0.664 82 V HN 0.528 nan 8.190 nan 0.000 0.453 83 A N 0.098 123.210 122.820 0.487 0.000 1.851 83 A HA -0.289 3.983 4.320 -0.080 0.000 0.216 83 A C 2.041 179.831 177.584 0.343 0.000 1.195 83 A CA 2.240 54.564 52.037 0.478 0.000 0.622 83 A CB -0.761 18.418 19.000 0.297 0.000 0.831 83 A HN 0.524 nan 8.150 nan 0.000 0.444 84 D N -0.653 119.925 120.400 0.296 0.000 2.144 84 D HA -0.115 4.477 4.640 -0.080 0.000 0.199 84 D C 1.852 178.282 176.300 0.216 0.000 0.984 84 D CA 1.234 55.393 54.000 0.266 0.000 0.834 84 D CB -0.350 40.583 40.800 0.223 0.000 0.955 84 D HN 0.313 nan 8.370 nan 0.000 0.465 85 L N 0.691 122.018 121.223 0.174 0.000 2.046 85 L HA -0.111 4.181 4.340 -0.080 0.000 0.208 85 L C 2.149 179.098 176.870 0.133 0.000 1.077 85 L CA 1.131 56.040 54.840 0.116 0.000 0.747 85 L CB -0.681 41.435 42.059 0.095 0.000 0.896 85 L HN -0.015 nan 8.230 nan 0.000 0.432 86 L N -1.290 120.044 121.223 0.184 0.000 2.127 86 L HA -0.244 4.048 4.340 -0.080 0.000 0.211 86 L C 2.212 179.210 176.870 0.213 0.000 1.089 86 L CA 1.921 56.877 54.840 0.192 0.000 0.757 86 L CB -0.808 41.390 42.059 0.232 0.000 0.899 86 L HN 0.434 nan 8.230 nan 0.000 0.434 87 F N -1.740 118.259 119.950 0.081 0.000 2.219 87 F HA -0.005 4.474 4.527 -0.080 0.000 0.294 87 F C 2.109 177.888 175.800 -0.034 0.000 1.086 87 F CA 1.281 59.295 58.000 0.024 0.000 1.330 87 F CB -0.584 38.396 39.000 -0.033 0.000 1.047 87 F HN -0.158 nan 8.300 nan 0.000 0.495 88 V N 1.210 120.955 119.914 -0.282 0.000 2.343 88 V HA -0.309 3.763 4.120 -0.080 0.000 0.247 88 V C 2.519 178.573 176.094 -0.066 0.000 1.051 88 V CA 2.115 64.224 62.300 -0.318 0.000 1.036 88 V CB -0.616 31.145 31.823 -0.103 0.000 0.654 88 V HN 0.393 nan 8.190 nan 0.000 0.451 89 I N 0.955 121.554 120.570 0.049 0.000 2.657 89 I HA -0.230 3.892 4.170 -0.080 0.000 0.261 89 I C 2.280 178.429 176.117 0.053 0.000 1.212 89 I CA 1.973 63.364 61.300 0.153 0.000 1.453 89 I CB -0.395 37.685 38.000 0.133 0.000 1.092 89 I HN 0.555 nan 8.210 nan 0.000 0.452 90 T N -2.611 111.942 114.554 -0.003 0.000 3.060 90 T HA 0.138 4.440 4.350 -0.080 0.000 0.249 90 T C 1.652 176.423 174.700 0.118 0.000 1.079 90 T CA -0.057 62.151 62.100 0.180 0.000 1.013 90 T CB -0.136 68.847 68.868 0.193 0.000 0.975 90 T HN 0.229 nan 8.240 nan 0.000 0.518 91 L N 0.953 122.015 121.223 -0.269 0.000 2.131 91 L HA 0.043 4.334 4.340 -0.080 0.000 0.210 91 L C -0.558 176.181 176.870 -0.219 0.000 1.092 91 L CA 1.086 55.702 54.840 -0.374 0.000 0.759 91 L CB -1.202 40.581 42.059 -0.461 0.000 0.903 91 L HN 0.222 nan 8.230 nan 0.000 0.435 92 P HA -0.197 nan 4.420 nan 0.000 0.216 92 P C 1.377 178.492 177.300 -0.307 0.000 1.150 92 P CA 1.574 64.365 63.100 -0.516 0.000 0.843 92 P CB -0.043 31.161 31.700 -0.826 0.000 0.787 93 F N -2.938 116.883 119.950 -0.215 0.000 2.186 93 F HA -0.104 4.375 4.527 -0.080 0.000 0.299 93 F C 2.122 178.001 175.800 0.132 0.000 1.090 93 F CA 0.891 58.740 58.000 -0.252 0.000 1.307 93 F CB -1.349 37.437 39.000 -0.356 0.000 1.019 93 F HN -0.069 nan 8.300 nan 0.000 0.489 94 W N 0.332 121.664 121.300 0.055 0.000 2.358 94 W HA -0.073 4.539 4.660 -0.080 0.000 0.303 94 W C 2.637 179.206 176.519 0.084 0.000 1.208 94 W CA 1.653 58.954 57.345 -0.073 0.000 1.274 94 W CB -1.199 27.887 29.460 -0.624 0.000 1.138 94 W HN -0.062 nan 8.180 nan 0.000 0.515 95 A N -0.103 122.925 122.820 0.347 0.000 1.858 95 A HA -0.179 4.093 4.320 -0.080 0.000 0.216 95 A C 2.063 179.813 177.584 0.277 0.000 1.190 95 A CA 2.389 54.647 52.037 0.367 0.000 0.617 95 A CB -1.208 17.913 19.000 0.201 0.000 0.827 95 A HN 0.070 nan 8.150 nan 0.000 0.443 96 V N 0.622 120.689 119.914 0.254 0.000 2.407 96 V HA -0.250 3.821 4.120 -0.080 0.000 0.248 96 V C 2.310 178.595 176.094 0.317 0.000 1.055 96 V CA 2.462 64.940 62.300 0.296 0.000 1.049 96 V CB -0.857 31.222 31.823 0.427 0.000 0.662 96 V HN 0.753 nan 8.190 nan 0.000 0.455 97 D N 0.404 121.041 120.400 0.396 0.000 2.117 97 D HA -0.149 4.443 4.640 -0.080 0.000 0.197 97 D C 2.103 178.554 176.300 0.253 0.000 0.987 97 D CA 1.583 55.806 54.000 0.373 0.000 0.829 97 D CB -0.113 40.952 40.800 0.442 0.000 0.961 97 D HN 0.373 nan 8.370 nan 0.000 0.460 98 A N -0.042 122.944 122.820 0.278 0.000 1.897 98 A HA -0.037 4.235 4.320 -0.080 0.000 0.215 98 A C 2.478 180.159 177.584 0.162 0.000 1.181 98 A CA 2.017 54.197 52.037 0.239 0.000 0.620 98 A CB -0.837 18.362 19.000 0.331 0.000 0.821 98 A HN 0.316 nan 8.150 nan 0.000 0.443 99 V N -3.825 116.184 119.914 0.159 0.000 2.446 99 V HA 0.346 4.418 4.120 -0.080 0.000 0.244 99 V C 2.048 178.201 176.094 0.098 0.000 1.039 99 V CA 1.753 64.120 62.300 0.111 0.000 1.045 99 V CB -0.386 31.500 31.823 0.104 0.000 0.681 99 V HN 0.514 nan 8.190 nan 0.000 0.459 100 A N -0.992 121.894 122.820 0.110 0.000 1.917 100 A HA 0.498 4.769 4.320 -0.080 0.000 0.200 100 A C 0.752 178.293 177.584 -0.071 0.000 1.671 100 A CA 0.614 52.690 52.037 0.065 0.000 1.034 100 A CB 0.257 19.366 19.000 0.182 0.000 1.057 100 A HN 0.557 nan 8.150 nan 0.000 0.507 101 N N -2.861 115.753 118.700 -0.144 0.000 3.501 101 N HA 0.108 4.800 4.740 -0.080 0.000 0.235 101 N C -2.287 173.145 175.510 -0.131 0.000 1.442 101 N CA -0.404 52.432 53.050 -0.356 0.000 0.872 101 N CB 0.447 38.387 38.487 -0.912 0.000 1.414 101 N HN 0.334 nan 8.380 nan 0.000 0.485 102 W N 2.893 124.041 121.300 -0.253 0.000 2.299 102 W HA 0.347 4.959 4.660 -0.080 0.000 0.319 102 W C -0.779 175.542 176.519 -0.329 0.000 1.008 102 W CA -0.279 56.982 57.345 -0.140 0.000 1.384 102 W CB 0.186 29.660 29.460 0.024 0.000 1.220 102 W HN 0.667 nan 8.180 nan 0.000 0.402 103 Y N 3.668 123.344 120.300 -1.039 0.000 2.457 103 Y HA 0.066 4.568 4.550 -0.080 0.000 0.263 103 Y C 1.032 176.306 175.900 -1.043 0.000 1.164 103 Y CA 0.311 57.834 58.100 -0.963 0.000 1.274 103 Y CB -0.129 37.709 38.460 -1.036 0.000 1.097 103 Y HN 0.257 nan 8.280 nan 0.000 0.523 104 F N -0.609 118.885 119.950 -0.760 0.000 2.695 104 F HA 0.505 4.984 4.527 -0.080 0.000 0.303 104 F C 1.401 177.103 175.800 -0.164 0.000 1.091 104 F CA -0.061 57.636 58.000 -0.505 0.000 1.300 104 F CB -0.106 38.466 39.000 -0.712 0.000 1.071 104 F HN -0.041 nan 8.300 nan 0.000 0.578 105 G N 0.916 109.752 108.800 0.060 0.000 2.781 105 G HA2 -0.277 3.635 3.960 -0.080 0.000 0.683 105 G HA3 -0.277 3.635 3.960 -0.080 0.000 0.683 105 G C 0.493 175.628 174.900 0.391 0.000 1.390 105 G CA -0.257 44.960 45.100 0.194 0.000 0.850 105 G HN 0.128 nan 8.290 nan 0.000 0.557 106 N N -0.774 118.052 118.700 0.210 0.000 2.166 106 N HA -0.093 4.598 4.740 -0.080 0.000 0.186 106 N C 2.113 177.710 175.510 0.145 0.000 1.019 106 N CA 2.039 55.170 53.050 0.135 0.000 0.856 106 N CB -0.257 38.255 38.487 0.042 0.000 0.993 106 N HN 0.545 nan 8.380 nan 0.000 0.426 107 F N 1.637 121.636 119.950 0.083 0.000 2.113 107 F HA 0.004 4.483 4.527 -0.080 0.000 0.297 107 F C 2.168 178.029 175.800 0.102 0.000 1.103 107 F CA 0.942 58.985 58.000 0.071 0.000 1.248 107 F CB -0.460 38.583 39.000 0.071 0.000 0.999 107 F HN -0.077 nan 8.300 nan 0.000 0.475 108 L N -0.616 120.678 121.223 0.119 0.000 2.191 108 L HA -0.242 4.049 4.340 -0.080 0.000 0.212 108 L C 2.801 179.714 176.870 0.071 0.000 1.103 108 L CA 1.048 55.879 54.840 -0.015 0.000 0.769 108 L CB -0.909 41.164 42.059 0.024 0.000 0.908 108 L HN 0.455 nan 8.230 nan 0.000 0.438 109 c N 0.694 119.432 118.600 0.229 0.000 2.432 109 c HA -0.177 4.345 4.570 -0.080 0.000 0.277 109 c C 2.843 176.863 174.090 -0.116 0.000 1.249 109 c CA 1.044 57.313 56.329 -0.101 0.000 1.725 109 c CB -0.497 41.822 42.510 -0.319 0.000 2.028 109 c HN 0.438 nan 8.230 nan 0.000 0.477 110 K N 0.761 121.055 120.400 -0.177 0.000 2.032 110 K HA -0.096 4.175 4.320 -0.080 0.000 0.209 110 K C 2.323 178.861 176.600 -0.103 0.000 1.048 110 K CA 1.712 57.893 56.287 -0.177 0.000 0.927 110 K CB -0.388 31.960 32.500 -0.253 0.000 0.712 110 K HN 0.580 nan 8.250 nan 0.000 0.441 111 A N 1.215 123.879 122.820 -0.260 0.000 1.930 111 A HA -0.124 4.148 4.320 -0.080 0.000 0.217 111 A C 2.386 179.930 177.584 -0.066 0.000 1.175 111 A CA 1.744 53.651 52.037 -0.217 0.000 0.627 111 A CB -0.770 18.007 19.000 -0.372 0.000 0.815 111 A HN 0.221 nan 8.150 nan 0.000 0.443 112 V N -2.801 117.059 119.914 -0.091 0.000 2.548 112 V HA -0.187 3.885 4.120 -0.080 0.000 0.249 112 V C 2.114 178.237 176.094 0.048 0.000 1.055 112 V CA 2.293 64.573 62.300 -0.034 0.000 1.065 112 V CB -1.478 30.258 31.823 -0.146 0.000 0.681 112 V HN 0.582 nan 8.190 nan 0.000 0.462 113 H N 0.769 119.820 119.070 -0.033 0.000 2.267 113 H HA -0.073 4.435 4.556 -0.080 0.000 0.297 113 H C 2.428 177.853 175.328 0.162 0.000 1.080 113 H CA 2.551 58.629 56.048 0.050 0.000 1.278 113 H CB -0.660 29.070 29.762 -0.052 0.000 1.365 113 H HN 0.256 nan 8.280 nan 0.000 0.489 114 V N 0.687 120.738 119.914 0.228 0.000 2.277 114 V HA -0.307 3.765 4.120 -0.080 0.000 0.253 114 V C 2.379 178.586 176.094 0.189 0.000 1.067 114 V CA 2.179 64.589 62.300 0.184 0.000 1.047 114 V CB -0.577 31.327 31.823 0.136 0.000 0.649 114 V HN 0.396 nan 8.190 nan 0.000 0.447 115 I N -1.758 118.937 120.570 0.209 0.000 2.353 115 I HA -0.220 3.902 4.170 -0.080 0.000 0.248 115 I C 2.341 178.632 176.117 0.291 0.000 1.119 115 I CA 1.583 63.028 61.300 0.243 0.000 1.417 115 I CB -0.350 37.796 38.000 0.242 0.000 1.078 115 I HN 0.388 nan 8.210 nan 0.000 0.421 116 Y N 1.832 122.266 120.300 0.225 0.000 2.097 116 Y HA -0.327 4.175 4.550 -0.080 0.000 0.282 116 Y C 2.697 178.600 175.900 0.004 0.000 1.152 116 Y CA 2.413 60.608 58.100 0.160 0.000 1.136 116 Y CB -0.656 37.954 38.460 0.249 0.000 0.975 116 Y HN 0.047 nan 8.280 nan 0.000 0.498 117 T N -0.100 114.492 114.554 0.063 0.000 2.708 117 T HA -0.188 4.114 4.350 -0.080 0.000 0.266 117 T C 2.088 176.599 174.700 -0.316 0.000 1.037 117 T CA 1.693 63.666 62.100 -0.211 0.000 1.146 117 T CB -0.858 67.978 68.868 -0.052 0.000 0.865 117 T HN 0.223 nan 8.240 nan 0.000 0.435 118 V N 2.771 122.657 119.914 -0.048 0.000 2.278 118 V HA -0.271 3.801 4.120 -0.080 0.000 0.251 118 V C 2.547 178.632 176.094 -0.014 0.000 1.062 118 V CA 1.922 64.252 62.300 0.051 0.000 1.038 118 V CB -0.677 31.263 31.823 0.194 0.000 0.646 118 V HN 0.603 nan 8.190 nan 0.000 0.447 119 N N -0.115 118.547 118.700 -0.064 0.000 2.106 119 N HA -0.120 4.572 4.740 -0.080 0.000 0.188 119 N C 1.968 177.376 175.510 -0.169 0.000 1.029 119 N CA 1.419 54.417 53.050 -0.087 0.000 0.848 119 N CB -0.065 38.319 38.487 -0.171 0.000 1.007 119 N HN 0.412 nan 8.380 nan 0.000 0.423 120 L N 0.314 121.315 121.223 -0.370 0.000 2.042 120 L HA -0.218 4.074 4.340 -0.080 0.000 0.210 120 L C 2.324 179.178 176.870 -0.027 0.000 1.076 120 L CA 1.392 56.039 54.840 -0.321 0.000 0.749 120 L CB -0.740 41.020 42.059 -0.498 0.000 0.893 120 L HN 0.268 nan 8.230 nan 0.000 0.432 121 Y N 0.104 120.373 120.300 -0.051 0.000 2.184 121 Y HA -0.165 4.337 4.550 -0.080 0.000 0.290 121 Y C 3.121 179.033 175.900 0.020 0.000 1.129 121 Y CA 0.949 59.071 58.100 0.038 0.000 1.144 121 Y CB -1.233 37.229 38.460 0.004 0.000 0.995 121 Y HN 0.290 nan 8.280 nan 0.000 0.513 122 S N -0.395 115.316 115.700 0.018 0.000 2.368 122 S HA -0.167 4.255 4.470 -0.080 0.000 0.224 122 S C 2.161 176.638 174.600 -0.206 0.000 1.029 122 S CA 1.217 59.258 58.200 -0.266 0.000 0.988 122 S CB -1.034 61.743 63.200 -0.705 0.000 0.838 122 S HN 0.485 nan 8.310 nan 0.000 0.462 123 S N 1.607 117.245 115.700 -0.104 0.000 2.355 123 S HA 0.006 4.427 4.470 -0.080 0.000 0.222 123 S C 1.900 176.350 174.600 -0.249 0.000 1.031 123 S CA 0.834 58.979 58.200 -0.092 0.000 0.993 123 S CB -1.148 62.105 63.200 0.087 0.000 0.859 123 S HN 0.345 nan 8.310 nan 0.000 0.453 124 V N 0.386 120.158 119.914 -0.235 0.000 2.407 124 V HA -0.112 3.960 4.120 -0.080 0.000 0.248 124 V C 2.015 177.863 176.094 -0.409 0.000 1.055 124 V CA 1.773 63.814 62.300 -0.433 0.000 1.049 124 V CB -0.751 30.941 31.823 -0.218 0.000 0.662 124 V HN 0.693 nan 8.190 nan 0.000 0.455 125 W N -0.332 120.858 121.300 -0.183 0.000 2.436 125 W HA 0.016 4.627 4.660 -0.081 0.000 0.284 125 W C 2.242 178.682 176.519 -0.133 0.000 1.225 125 W CA 1.141 58.410 57.345 -0.127 0.000 1.271 125 W CB -0.250 29.130 29.460 -0.132 0.000 1.114 125 W HN 0.191 nan 8.180 nan 0.000 0.559 126 I N 0.046 120.573 120.570 -0.073 0.000 2.208 126 I HA -0.363 3.758 4.170 -0.080 0.000 0.245 126 I C 2.235 178.267 176.117 -0.142 0.000 1.097 126 I CA 1.268 62.488 61.300 -0.133 0.000 1.363 126 I CB -0.746 37.185 38.000 -0.114 0.000 1.051 126 I HN -0.059 nan 8.210 nan 0.000 0.413 127 L N 0.445 121.539 121.223 -0.216 0.000 2.043 127 L HA -0.259 4.033 4.340 -0.080 0.000 0.212 127 L C 2.863 179.617 176.870 -0.193 0.000 1.075 127 L CA 1.539 56.234 54.840 -0.242 0.000 0.752 127 L CB -0.929 40.886 42.059 -0.408 0.000 0.891 127 L HN 0.289 nan 8.230 nan 0.000 0.432 128 A N -0.285 122.407 122.820 -0.214 0.000 1.933 128 A HA -0.200 4.072 4.320 -0.080 0.000 0.218 128 A C 2.020 179.527 177.584 -0.128 0.000 1.175 128 A CA 1.434 53.345 52.037 -0.209 0.000 0.628 128 A CB -0.681 18.085 19.000 -0.390 0.000 0.814 128 A HN 0.281 nan 8.150 nan 0.000 0.444 129 F N -0.105 119.687 119.950 -0.263 0.000 2.186 129 F HA -0.036 4.443 4.527 -0.080 0.000 0.299 129 F C 2.096 177.523 175.800 -0.621 0.000 1.090 129 F CA 1.001 58.766 58.000 -0.392 0.000 1.307 129 F CB -0.362 38.361 39.000 -0.462 0.000 1.019 129 F HN 0.105 nan 8.300 nan 0.000 0.489 130 I N -0.852 119.439 120.570 -0.465 0.000 2.335 130 I HA -0.350 3.772 4.170 -0.080 0.000 0.251 130 I C 2.220 178.250 176.117 -0.145 0.000 1.129 130 I CA 1.424 62.534 61.300 -0.317 0.000 1.402 130 I CB -0.486 37.431 38.000 -0.139 0.000 1.069 130 I HN 0.035 nan 8.210 nan 0.000 0.424 131 S N 0.587 116.207 115.700 -0.134 0.000 2.395 131 S HA -0.009 4.413 4.470 -0.080 0.000 0.225 131 S C 1.951 176.422 174.600 -0.215 0.000 1.027 131 S CA 0.836 58.936 58.200 -0.166 0.000 0.965 131 S CB -0.247 62.905 63.200 -0.079 0.000 0.812 131 S HN 0.335 nan 8.310 nan 0.000 0.482 132 L N 1.391 122.487 121.223 -0.211 0.000 2.083 132 L HA -0.172 4.120 4.340 -0.080 0.000 0.209 132 L C 2.392 179.248 176.870 -0.023 0.000 1.083 132 L CA 1.516 56.262 54.840 -0.157 0.000 0.752 132 L CB -0.568 41.304 42.059 -0.312 0.000 0.899 132 L HN 0.281 nan 8.230 nan 0.000 0.433 133 D N -0.068 120.298 120.400 -0.057 0.000 2.097 133 D HA -0.228 4.364 4.640 -0.080 0.000 0.197 133 D C 2.284 178.596 176.300 0.019 0.000 0.984 133 D CA 1.056 55.076 54.000 0.034 0.000 0.826 133 D CB 0.126 40.995 40.800 0.115 0.000 0.973 133 D HN -0.060 nan 8.370 nan 0.000 0.460 134 R N -1.015 119.473 120.500 -0.020 0.000 2.091 134 R HA -0.209 4.083 4.340 -0.080 0.000 0.238 134 R C 2.239 178.506 176.300 -0.055 0.000 1.136 134 R CA 1.628 57.702 56.100 -0.042 0.000 0.959 134 R CB -0.881 29.359 30.300 -0.100 0.000 0.856 134 R HN 0.434 nan 8.270 nan 0.000 0.437 135 Y N 0.119 120.308 120.300 -0.185 0.000 2.274 135 Y HA -0.130 4.373 4.550 -0.079 0.000 0.290 135 Y C 1.428 177.305 175.900 -0.038 0.000 1.145 135 Y CA 1.631 59.645 58.100 -0.144 0.000 1.203 135 Y CB -0.081 38.275 38.460 -0.173 0.000 0.984 135 Y HN 0.054 nan 8.280 nan 0.000 0.533 136 L N -0.113 120.981 121.223 -0.215 0.000 2.068 136 L HA -0.039 4.253 4.340 -0.080 0.000 0.204 136 L C 2.878 179.657 176.870 -0.151 0.000 1.076 136 L CA 0.890 55.563 54.840 -0.279 0.000 0.753 136 L CB -1.052 40.931 42.059 -0.126 0.000 0.910 136 L HN 0.283 nan 8.230 nan 0.000 0.439 137 A N 0.295 123.070 122.820 -0.075 0.000 1.948 137 A HA -0.201 4.071 4.320 -0.080 0.000 0.220 137 A C 2.176 179.729 177.584 -0.052 0.000 1.177 137 A CA 1.911 53.926 52.037 -0.037 0.000 0.636 137 A CB -0.556 18.445 19.000 0.002 0.000 0.815 137 A HN 0.423 nan 8.150 nan 0.000 0.449 138 I N -1.720 118.802 120.570 -0.080 0.000 2.947 138 I HA -0.050 4.072 4.170 -0.080 0.000 0.263 138 I C 2.116 178.168 176.117 -0.108 0.000 1.130 138 I CA 0.418 61.677 61.300 -0.068 0.000 1.448 138 I CB -0.007 37.967 38.000 -0.044 0.000 1.222 138 I HN 0.100 nan 8.210 nan 0.000 0.453 139 V N -0.091 119.710 119.914 -0.189 0.000 2.453 139 V HA -0.162 3.910 4.120 -0.080 0.000 0.247 139 V C 0.895 176.789 176.094 -0.334 0.000 1.048 139 V CA 1.378 63.521 62.300 -0.261 0.000 1.049 139 V CB -0.600 31.003 31.823 -0.367 0.000 0.672 139 V HN 0.409 nan 8.190 nan 0.000 0.457 140 H N -0.679 118.208 119.070 -0.305 0.000 2.336 140 H HA 0.499 5.007 4.556 -0.080 0.000 0.230 140 H C 0.797 176.027 175.328 -0.162 0.000 1.426 140 H CA 0.374 56.289 56.048 -0.221 0.000 1.359 140 H CB 0.910 30.528 29.762 -0.239 0.000 1.555 140 H HN 0.322 nan 8.280 nan 0.000 0.512 141 A N 1.176 123.956 122.820 -0.066 0.000 2.278 141 A HA -0.042 4.230 4.320 -0.080 0.000 0.212 141 A C 2.188 179.743 177.584 -0.048 0.000 1.213 141 A CA 0.608 52.615 52.037 -0.050 0.000 0.840 141 A CB -0.095 18.872 19.000 -0.055 0.000 0.866 141 A HN 0.460 nan 8.150 nan 0.000 0.489 142 T N 1.284 115.804 114.554 -0.057 0.000 2.708 142 T HA -0.117 4.185 4.350 -0.080 0.000 0.266 142 T C 0.638 175.339 174.700 0.001 0.000 1.037 142 T CA 1.628 63.713 62.100 -0.027 0.000 1.146 142 T CB -0.357 68.484 68.868 -0.045 0.000 0.865 142 T HN 0.712 nan 8.240 nan 0.000 0.435 143 N N 0.593 119.291 118.700 -0.004 0.000 2.685 143 N HA 0.203 4.895 4.740 -0.080 0.000 0.252 143 N C 0.105 175.608 175.510 -0.011 0.000 1.261 143 N CA 0.080 53.126 53.050 -0.007 0.000 0.768 143 N CB 1.069 39.541 38.487 -0.025 0.000 1.304 143 N HN 0.303 nan 8.380 nan 0.000 0.536 144 S N 0.520 116.213 115.700 -0.011 0.000 2.502 144 S HA -0.057 4.365 4.470 -0.080 0.000 0.228 144 S C 1.401 175.995 174.600 -0.009 0.000 1.061 144 S CA 0.099 58.286 58.200 -0.022 0.000 0.935 144 S CB -0.013 63.176 63.200 -0.018 0.000 0.809 144 S HN 0.396 nan 8.310 nan 0.000 0.510 145 Q N 1.252 121.054 119.800 0.002 0.000 2.096 145 Q HA -0.110 4.182 4.340 -0.080 0.000 0.204 145 Q C 2.372 178.381 176.000 0.015 0.000 0.982 145 Q CA 1.405 57.216 55.803 0.013 0.000 0.850 145 Q CB -0.110 28.636 28.738 0.014 0.000 0.901 145 Q HN 0.563 nan 8.270 nan 0.000 0.422 146 R N -0.433 120.071 120.500 0.007 0.000 2.066 146 R HA -0.092 4.200 4.340 -0.080 0.000 0.232 146 R C -0.791 175.518 176.300 0.015 0.000 1.131 146 R CA 1.489 57.594 56.100 0.010 0.000 0.955 146 R CB -0.560 29.740 30.300 0.001 0.000 0.851 146 R HN 0.259 nan 8.270 nan 0.000 0.432 147 P HA -0.048 nan 4.420 nan 0.000 0.220 147 P C 0.456 177.779 177.300 0.038 0.000 1.152 147 P CA 1.261 64.366 63.100 0.007 0.000 0.812 147 P CB 0.100 31.780 31.700 -0.032 0.000 0.792 148 R N -0.140 120.385 120.500 0.042 0.000 2.090 148 R HA -0.057 4.235 4.340 -0.080 0.000 0.228 148 R C 2.310 178.669 176.300 0.099 0.000 1.110 148 R CA 1.135 57.287 56.100 0.086 0.000 0.973 148 R CB -0.434 29.911 30.300 0.076 0.000 0.869 148 R HN 0.151 nan 8.270 nan 0.000 0.440 149 K N 0.827 121.266 120.400 0.065 0.000 2.057 149 K HA -0.155 4.117 4.320 -0.080 0.000 0.207 149 K C 1.980 178.622 176.600 0.070 0.000 1.049 149 K CA 1.054 57.374 56.287 0.056 0.000 0.931 149 K CB -0.078 32.446 32.500 0.040 0.000 0.714 149 K HN 0.001 nan 8.250 nan 0.000 0.440 150 L N 1.317 122.585 121.223 0.074 0.000 2.017 150 L HA -0.153 4.139 4.340 -0.080 0.000 0.208 150 L C 2.049 179.000 176.870 0.135 0.000 1.073 150 L CA 1.486 56.379 54.840 0.088 0.000 0.745 150 L CB -0.333 41.767 42.059 0.068 0.000 0.894 150 L HN 0.232 nan 8.230 nan 0.000 0.432 151 L N -1.146 120.179 121.223 0.170 0.000 2.017 151 L HA -0.217 4.075 4.340 -0.080 0.000 0.208 151 L C 2.581 179.636 176.870 0.309 0.000 1.073 151 L CA 1.376 56.395 54.840 0.300 0.000 0.745 151 L CB -0.707 41.550 42.059 0.330 0.000 0.894 151 L HN 0.354 nan 8.230 nan 0.000 0.432 152 A N -0.669 122.260 122.820 0.182 0.000 1.969 152 A HA -0.174 4.098 4.320 -0.080 0.000 0.218 152 A C 2.033 179.582 177.584 -0.058 0.000 1.169 152 A CA 1.616 53.589 52.037 -0.107 0.000 0.635 152 A CB -0.232 18.622 19.000 -0.244 0.000 0.810 152 A HN 0.504 nan 8.150 nan 0.000 0.445 153 E N -1.946 118.297 120.200 0.072 0.000 2.447 153 E HA 0.083 4.385 4.350 -0.080 0.000 0.204 153 E C 1.336 178.101 176.600 0.275 0.000 0.977 153 E CA 0.426 56.926 56.400 0.166 0.000 0.950 153 E CB 0.383 30.154 29.700 0.119 0.000 0.975 153 E HN 0.455 nan 8.360 nan 0.000 0.496 154 K N -0.651 119.879 120.400 0.217 0.000 2.485 154 K HA 0.137 4.408 4.320 -0.080 0.000 0.200 154 K C 1.579 178.319 176.600 0.234 0.000 1.352 154 K CA 0.134 56.569 56.287 0.248 0.000 0.953 154 K CB 0.640 33.230 32.500 0.151 0.000 1.387 154 K HN -0.169 nan 8.250 nan 0.000 0.512 155 V N 0.919 120.948 119.914 0.191 0.000 2.871 155 V HA -0.091 3.981 4.120 -0.080 0.000 0.256 155 V C 1.884 178.019 176.094 0.068 0.000 1.082 155 V CA 1.116 63.536 62.300 0.199 0.000 1.105 155 V CB 0.297 32.298 31.823 0.297 0.000 0.713 155 V HN 0.126 nan 8.190 nan 0.000 0.473 156 V N -0.541 119.302 119.914 -0.119 0.000 2.490 156 V HA -0.279 3.793 4.120 -0.080 0.000 0.250 156 V C 2.091 177.961 176.094 -0.372 0.000 1.061 156 V CA 2.101 64.060 62.300 -0.568 0.000 1.064 156 V CB -0.359 31.045 31.823 -0.699 0.000 0.670 156 V HN 0.617 nan 8.190 nan 0.000 0.461 157 Y N -1.096 119.231 120.300 0.045 0.000 2.130 157 Y HA -0.086 4.415 4.550 -0.081 0.000 0.287 157 Y C 2.544 178.501 175.900 0.095 0.000 1.124 157 Y CA 2.055 60.255 58.100 0.167 0.000 1.118 157 Y CB -0.528 38.004 38.460 0.120 0.000 0.994 157 Y HN 0.093 nan 8.280 nan 0.000 0.497 158 V N -0.631 119.409 119.914 0.210 0.000 3.041 158 V HA -0.022 4.050 4.120 -0.080 0.000 0.260 158 V C 1.798 177.920 176.094 0.046 0.000 1.105 158 V CA 1.963 64.338 62.300 0.124 0.000 1.125 158 V CB -0.399 31.486 31.823 0.104 0.000 0.730 158 V HN 0.526 nan 8.190 nan 0.000 0.479 159 G N -1.867 106.935 108.800 0.005 0.000 2.848 159 G HA2 0.147 4.058 3.960 -0.080 0.000 0.213 159 G HA3 0.147 4.058 3.960 -0.080 0.000 0.213 159 G C 1.072 175.849 174.900 -0.204 0.000 1.101 159 G CA 0.981 46.047 45.100 -0.056 0.000 0.778 159 G HN 0.359 nan 8.290 nan 0.000 0.536 160 V N -1.003 118.746 119.914 -0.274 0.000 2.939 160 V HA 0.186 4.258 4.120 -0.080 0.000 0.228 160 V C 2.104 178.047 176.094 -0.251 0.000 1.162 160 V CA 0.564 62.628 62.300 -0.393 0.000 1.222 160 V CB -0.664 30.766 31.823 -0.654 0.000 1.053 160 V HN 0.395 nan 8.190 nan 0.000 0.504 161 W N 0.447 121.685 121.300 -0.102 0.000 2.354 161 W HA -0.063 4.548 4.660 -0.081 0.000 0.315 161 W C 2.332 178.861 176.519 0.017 0.000 1.206 161 W CA 1.314 58.658 57.345 -0.001 0.000 1.290 161 W CB -0.269 29.233 29.460 0.070 0.000 1.152 161 W HN 0.129 nan 8.180 nan 0.000 0.489 162 I N 0.015 120.734 120.570 0.249 0.000 2.202 162 I HA -0.218 3.904 4.170 -0.080 0.000 0.242 162 I C -0.738 175.425 176.117 0.077 0.000 1.091 162 I CA 1.128 62.520 61.300 0.152 0.000 1.368 162 I CB -1.728 36.339 38.000 0.112 0.000 1.058 162 I HN -0.148 nan 8.210 nan 0.000 0.410 163 P HA -0.165 nan 4.420 nan 0.000 0.216 163 P C 1.469 178.766 177.300 -0.006 0.000 1.150 163 P CA 1.714 64.782 63.100 -0.053 0.000 0.837 163 P CB -0.030 31.563 31.700 -0.178 0.000 0.786 164 A N -0.746 122.093 122.820 0.032 0.000 1.877 164 A HA -0.183 4.089 4.320 -0.080 0.000 0.216 164 A C 2.217 179.911 177.584 0.183 0.000 1.186 164 A CA 1.542 53.670 52.037 0.152 0.000 0.620 164 A CB -1.662 17.410 19.000 0.120 0.000 0.822 164 A HN 0.113 nan 8.150 nan 0.000 0.443 165 L N -0.661 120.664 121.223 0.170 0.000 2.017 165 L HA -0.162 4.130 4.340 -0.080 0.000 0.208 165 L C 2.568 179.497 176.870 0.099 0.000 1.073 165 L CA 1.156 56.083 54.840 0.145 0.000 0.745 165 L CB -0.397 41.747 42.059 0.142 0.000 0.894 165 L HN 0.379 nan 8.230 nan 0.000 0.432 166 L N -0.836 120.433 121.223 0.076 0.000 2.083 166 L HA -0.232 4.060 4.340 -0.080 0.000 0.209 166 L C 2.265 179.179 176.870 0.074 0.000 1.083 166 L CA 1.081 55.953 54.840 0.053 0.000 0.752 166 L CB -0.431 41.647 42.059 0.031 0.000 0.899 166 L HN 0.276 nan 8.230 nan 0.000 0.433 167 L N -0.237 121.044 121.223 0.097 0.000 2.549 167 L HA -0.105 4.187 4.340 -0.080 0.000 0.229 167 L C 2.411 179.380 176.870 0.165 0.000 1.158 167 L CA 1.117 56.039 54.840 0.136 0.000 0.842 167 L CB -0.774 41.389 42.059 0.174 0.000 0.952 167 L HN 0.452 nan 8.230 nan 0.000 0.452 168 T N -3.904 110.737 114.554 0.144 0.000 3.113 168 T HA 0.032 4.334 4.350 -0.080 0.000 0.256 168 T C 1.665 176.449 174.700 0.139 0.000 1.131 168 T CA 0.099 62.281 62.100 0.136 0.000 1.074 168 T CB -0.210 68.738 68.868 0.134 0.000 0.944 168 T HN 0.176 nan 8.240 nan 0.000 0.516 169 I N 2.083 122.724 120.570 0.119 0.000 2.194 169 I HA -0.093 4.029 4.170 -0.080 0.000 0.246 169 I C -0.569 175.663 176.117 0.191 0.000 1.093 169 I CA 1.231 62.615 61.300 0.139 0.000 1.355 169 I CB -0.948 37.110 38.000 0.097 0.000 1.046 169 I HN 0.232 nan 8.210 nan 0.000 0.413 170 P HA -0.182 nan 4.420 nan 0.000 0.214 170 P C 1.016 178.414 177.300 0.163 0.000 1.163 170 P CA 1.714 64.909 63.100 0.158 0.000 0.889 170 P CB -0.062 31.538 31.700 -0.167 0.000 0.790 171 D N -1.731 118.733 120.400 0.105 0.000 2.104 171 D HA -0.190 4.401 4.640 -0.080 0.000 0.194 171 D C 1.635 177.945 176.300 0.017 0.000 0.994 171 D CA 0.966 55.006 54.000 0.066 0.000 0.830 171 D CB -0.904 39.984 40.800 0.147 0.000 0.959 171 D HN 0.103 nan 8.370 nan 0.000 0.452 172 F N 0.786 120.710 119.950 -0.045 0.000 2.161 172 F HA -0.167 4.312 4.527 -0.080 0.000 0.300 172 F C 1.797 177.524 175.800 -0.123 0.000 1.089 172 F CA 1.290 59.244 58.000 -0.076 0.000 1.282 172 F CB -0.129 38.848 39.000 -0.037 0.000 1.010 172 F HN -0.052 nan 8.300 nan 0.000 0.485 173 I N -1.271 119.202 120.570 -0.162 0.000 2.277 173 I HA -0.218 3.904 4.170 -0.080 0.000 0.243 173 I C 1.609 177.399 176.117 -0.546 0.000 1.094 173 I CA 1.070 62.103 61.300 -0.445 0.000 1.393 173 I CB -0.369 37.349 38.000 -0.470 0.000 1.078 173 I HN 0.015 nan 8.210 nan 0.000 0.417 174 F N 0.799 120.620 119.950 -0.214 0.000 2.746 174 F HA 0.341 4.820 4.527 -0.080 0.000 0.297 174 F C 1.442 177.019 175.800 -0.372 0.000 1.113 174 F CA -0.420 57.406 58.000 -0.289 0.000 1.367 174 F CB -0.324 38.488 39.000 -0.313 0.000 1.111 174 F HN -0.179 nan 8.300 nan 0.000 0.590 175 A N 1.203 123.855 122.820 -0.280 0.000 2.444 175 A HA 0.438 4.710 4.320 -0.080 0.000 0.273 175 A C -0.296 177.117 177.584 -0.284 0.000 1.136 175 A CA 0.161 51.928 52.037 -0.450 0.000 0.799 175 A CB -0.590 18.007 19.000 -0.671 0.000 1.081 175 A HN 0.492 nan 8.150 nan 0.000 0.509 176 N N 0.176 118.788 118.700 -0.146 0.000 2.610 176 N HA 0.513 5.204 4.740 -0.080 0.000 0.264 176 N C -1.518 173.965 175.510 -0.044 0.000 1.348 176 N CA -0.791 52.200 53.050 -0.098 0.000 0.819 176 N CB 2.049 40.477 38.487 -0.099 0.000 1.521 176 N HN 0.312 nan 8.380 nan 0.000 0.497 177 V N 0.864 120.720 119.914 -0.096 0.000 2.439 177 V HA 0.598 4.670 4.120 -0.080 0.000 0.282 177 V C -0.250 175.797 176.094 -0.078 0.000 1.039 177 V CA -0.186 62.076 62.300 -0.064 0.000 0.913 177 V CB 1.157 32.959 31.823 -0.036 0.000 0.983 177 V HN 0.643 nan 8.190 nan 0.000 0.460 178 S N 3.219 118.910 115.700 -0.015 0.000 2.542 178 S HA 0.478 4.900 4.470 -0.080 0.000 0.293 178 S C -0.686 173.984 174.600 0.116 0.000 1.089 178 S CA -0.703 57.442 58.200 -0.090 0.000 0.961 178 S CB 1.688 64.673 63.200 -0.358 0.000 1.062 178 S HN 0.816 nan 8.310 nan 0.000 0.483 179 E N 1.586 121.834 120.200 0.080 0.000 2.130 179 E HA 0.585 4.887 4.350 -0.080 0.000 0.284 179 E C -0.899 175.687 176.600 -0.023 0.000 1.018 179 E CA -0.354 56.060 56.400 0.023 0.000 0.817 179 E CB 1.141 30.829 29.700 -0.019 0.000 1.078 179 E HN 0.635 nan 8.360 nan 0.000 0.396 180 A N 4.324 127.127 122.820 -0.028 0.000 2.491 180 A HA 0.257 4.528 4.320 -0.080 0.000 0.293 180 A C -0.747 176.818 177.584 -0.032 0.000 1.047 180 A CA -0.722 51.305 52.037 -0.016 0.000 0.735 180 A CB 1.014 20.036 19.000 0.036 0.000 1.281 180 A HN 0.737 nan 8.150 nan 0.000 0.398 181 D N 2.595 122.968 120.400 -0.045 0.000 2.802 181 D HA -0.154 4.438 4.640 -0.080 0.000 0.229 181 D C -0.398 175.862 176.300 -0.066 0.000 1.203 181 D CA 2.170 56.138 54.000 -0.053 0.000 0.712 181 D CB -0.508 40.270 40.800 -0.036 0.000 0.973 181 D HN 0.767 nan 8.370 nan 0.000 0.407 182 D N -1.634 118.708 120.400 -0.096 0.000 3.099 182 D HA -0.227 4.365 4.640 -0.080 0.000 0.213 182 D C 0.723 176.930 176.300 -0.155 0.000 1.121 182 D CA 1.661 55.593 54.000 -0.113 0.000 0.951 182 D CB -0.916 39.839 40.800 -0.075 0.000 1.102 182 D HN 0.826 nan 8.370 nan 0.000 0.423 183 R N -1.924 118.462 120.500 -0.190 0.000 2.733 183 R HA 0.557 4.849 4.340 -0.080 0.000 0.272 183 R C -1.419 174.734 176.300 -0.245 0.000 1.029 183 R CA -0.945 55.020 56.100 -0.226 0.000 0.888 183 R CB 0.606 30.843 30.300 -0.105 0.000 1.251 183 R HN -0.177 nan 8.270 nan 0.000 0.464 184 Y N 1.051 121.332 120.300 -0.032 0.000 2.313 184 Y HA 0.413 4.915 4.550 -0.080 0.000 0.332 184 Y C 0.202 176.142 175.900 0.068 0.000 1.071 184 Y CA -0.865 57.249 58.100 0.023 0.000 1.169 184 Y CB 1.217 39.710 38.460 0.055 0.000 1.192 184 Y HN 0.294 nan 8.280 nan 0.000 0.487 185 I N 3.789 124.500 120.570 0.234 0.000 2.355 185 I HA 0.123 4.245 4.170 -0.080 0.000 0.288 185 I C -0.323 175.838 176.117 0.073 0.000 0.999 185 I CA -0.638 60.753 61.300 0.152 0.000 1.163 185 I CB 1.018 39.122 38.000 0.174 0.000 1.316 185 I HN 0.622 nan 8.210 nan 0.000 0.454 186 c N 7.176 125.683 118.600 -0.155 0.000 2.325 186 c HA 0.676 5.198 4.570 -0.080 0.000 0.347 186 c C -0.209 173.712 174.090 -0.282 0.000 1.263 186 c CA 0.259 56.309 56.329 -0.464 0.000 1.806 186 c CB -0.179 41.471 42.510 -1.434 0.000 2.405 186 c HN 0.877 nan 8.230 nan 0.000 0.537 187 D N 2.511 122.787 120.400 -0.206 0.000 2.713 187 D HA 0.387 4.979 4.640 -0.080 0.000 0.306 187 D C -1.360 174.584 176.300 -0.592 0.000 1.299 187 D CA -0.585 53.179 54.000 -0.394 0.000 0.823 187 D CB 1.354 41.776 40.800 -0.630 0.000 1.353 187 D HN 0.589 nan 8.370 nan 0.000 0.447 188 R N 0.590 120.674 120.500 -0.693 0.000 2.207 188 R HA 0.517 4.809 4.340 -0.080 0.000 0.334 188 R C -0.930 174.760 176.300 -1.018 0.000 1.013 188 R CA -0.134 55.538 56.100 -0.715 0.000 0.858 188 R CB 0.340 30.312 30.300 -0.546 0.000 1.094 188 R HN 0.128 nan 8.270 nan 0.000 0.457 189 F N 3.586 123.184 119.950 -0.588 0.000 2.467 189 F HA 0.414 4.893 4.527 -0.080 0.000 0.336 189 F C -0.361 175.135 175.800 -0.508 0.000 1.123 189 F CA -0.669 57.062 58.000 -0.448 0.000 0.964 189 F CB 0.979 39.853 39.000 -0.211 0.000 1.136 189 F HN 0.370 nan 8.300 nan 0.000 0.447 190 Y N 2.269 122.566 120.300 -0.006 0.000 2.631 190 Y HA 0.442 4.943 4.550 -0.080 0.000 0.328 190 Y C -1.270 174.550 175.900 -0.134 0.000 1.118 190 Y CA -2.199 55.731 58.100 -0.283 0.000 1.206 190 Y CB 0.000 38.234 38.460 -0.377 0.000 1.337 190 Y HN 0.351 nan 8.280 nan 0.000 0.515 191 P HA -0.077 nan 4.420 nan 0.000 0.216 191 P C -0.843 176.575 177.300 0.196 0.000 1.150 191 P CA 1.631 64.785 63.100 0.090 0.000 0.837 191 P CB 0.187 31.973 31.700 0.143 0.000 0.786 192 N N -3.093 115.780 118.700 0.289 0.000 3.261 192 N HA -0.019 4.673 4.740 -0.080 0.000 0.248 192 N C -0.038 175.612 175.510 0.233 0.000 1.498 192 N CA -0.468 52.728 53.050 0.242 0.000 0.884 192 N CB -0.325 38.285 38.487 0.204 0.000 1.428 192 N HN -0.212 nan 8.380 nan 0.000 0.517 193 D N -0.049 120.437 120.400 0.143 0.000 2.219 193 D HA -0.094 4.498 4.640 -0.080 0.000 0.205 193 D C 1.349 177.673 176.300 0.039 0.000 0.970 193 D CA 0.728 54.787 54.000 0.097 0.000 0.851 193 D CB -0.052 40.788 40.800 0.067 0.000 0.943 193 D HN 0.515 nan 8.370 nan 0.000 0.488 194 L N -0.787 120.441 121.223 0.009 0.000 2.081 194 L HA -0.142 4.150 4.340 -0.080 0.000 0.212 194 L C 2.532 179.261 176.870 -0.235 0.000 1.080 194 L CA 1.357 56.130 54.840 -0.111 0.000 0.754 194 L CB -0.724 41.242 42.059 -0.155 0.000 0.893 194 L HN 0.082 nan 8.230 nan 0.000 0.433 195 W N -0.605 120.494 121.300 -0.335 0.000 2.342 195 W HA -0.163 4.448 4.660 -0.080 0.000 0.297 195 W C 2.469 178.517 176.519 -0.785 0.000 1.213 195 W CA 0.842 57.768 57.345 -0.698 0.000 1.251 195 W CB -0.698 28.270 29.460 -0.820 0.000 1.136 195 W HN -0.147 nan 8.180 nan 0.000 0.526 196 V N -0.226 119.563 119.914 -0.208 0.000 2.392 196 V HA -0.311 3.761 4.120 -0.080 0.000 0.249 196 V C 1.841 177.922 176.094 -0.020 0.000 1.059 196 V CA 1.707 63.979 62.300 -0.046 0.000 1.051 196 V CB -1.111 30.763 31.823 0.085 0.000 0.658 196 V HN 0.067 nan 8.190 nan 0.000 0.455 197 V N -0.722 119.149 119.914 -0.072 0.000 2.346 197 V HA -0.143 3.929 4.120 -0.080 0.000 0.244 197 V C 2.389 178.467 176.094 -0.028 0.000 1.037 197 V CA 1.453 63.732 62.300 -0.035 0.000 1.029 197 V CB -0.232 31.556 31.823 -0.058 0.000 0.663 197 V HN 0.384 nan 8.190 nan 0.000 0.454 198 V N -0.251 119.539 119.914 -0.207 0.000 2.282 198 V HA -0.267 3.804 4.120 -0.080 0.000 0.249 198 V C 2.257 178.269 176.094 -0.136 0.000 1.057 198 V CA 2.265 64.392 62.300 -0.289 0.000 1.032 198 V CB -0.784 30.630 31.823 -0.682 0.000 0.645 198 V HN 0.453 nan 8.190 nan 0.000 0.447 199 F N -0.203 119.773 119.950 0.045 0.000 2.367 199 F HA -0.006 4.472 4.527 -0.080 0.000 0.298 199 F C 2.419 178.404 175.800 0.307 0.000 1.094 199 F CA 1.101 59.202 58.000 0.168 0.000 1.409 199 F CB -0.817 38.293 39.000 0.184 0.000 1.064 199 F HN 0.159 nan 8.300 nan 0.000 0.528 200 Q N 0.085 120.129 119.800 0.407 0.000 2.079 200 Q HA -0.161 4.131 4.340 -0.080 0.000 0.200 200 Q C 2.250 178.497 176.000 0.410 0.000 0.974 200 Q CA 1.587 57.620 55.803 0.384 0.000 0.840 200 Q CB -0.741 28.138 28.738 0.235 0.000 0.898 200 Q HN 0.484 nan 8.270 nan 0.000 0.430 201 F N 0.268 120.304 119.950 0.143 0.000 2.102 201 F HA -0.280 4.198 4.527 -0.080 0.000 0.298 201 F C 2.370 178.238 175.800 0.114 0.000 1.105 201 F CA 1.299 59.355 58.000 0.093 0.000 1.239 201 F CB 0.035 39.053 39.000 0.030 0.000 0.991 201 F HN 0.266 nan 8.300 nan 0.000 0.474 202 Q N -0.278 119.656 119.800 0.223 0.000 2.112 202 Q HA -0.320 3.972 4.340 -0.080 0.000 0.206 202 Q C 1.812 177.907 176.000 0.158 0.000 0.987 202 Q CA 2.265 58.133 55.803 0.107 0.000 0.858 202 Q CB -0.278 28.565 28.738 0.175 0.000 0.905 202 Q HN 0.577 nan 8.270 nan 0.000 0.420 203 H N -0.440 118.818 119.070 0.314 0.000 2.353 203 H HA -0.081 4.427 4.556 -0.080 0.000 0.300 203 H C 1.947 177.425 175.328 0.251 0.000 1.090 203 H CA 1.853 58.113 56.048 0.353 0.000 1.327 203 H CB 0.065 30.034 29.762 0.345 0.000 1.383 203 H HN 0.249 nan 8.280 nan 0.000 0.508 204 I N -0.675 120.094 120.570 0.332 0.000 2.315 204 I HA -0.252 3.870 4.170 -0.080 0.000 0.248 204 I C 2.203 178.397 176.117 0.128 0.000 1.117 204 I CA 0.930 62.349 61.300 0.198 0.000 1.404 204 I CB -0.080 38.058 38.000 0.230 0.000 1.071 204 I HN 0.269 nan 8.210 nan 0.000 0.419 205 M N 0.350 120.022 119.600 0.119 0.000 2.064 205 M HA -0.130 4.302 4.480 -0.080 0.000 0.260 205 M C 2.162 178.471 176.300 0.014 0.000 1.073 205 M CA 1.902 57.209 55.300 0.013 0.000 1.124 205 M CB -0.269 32.253 32.600 -0.130 0.000 1.326 205 M HN -0.039 nan 8.290 nan 0.000 0.410 206 V N -0.384 119.521 119.914 -0.014 0.000 2.453 206 V HA -0.109 3.963 4.120 -0.080 0.000 0.247 206 V C 2.351 178.506 176.094 0.102 0.000 1.048 206 V CA 1.856 64.128 62.300 -0.046 0.000 1.049 206 V CB -1.528 30.031 31.823 -0.441 0.000 0.672 206 V HN 0.687 nan 8.190 nan 0.000 0.457 207 G N -0.943 107.942 108.800 0.142 0.000 2.408 207 G HA2 -0.145 3.767 3.960 -0.080 0.000 0.217 207 G HA3 -0.145 3.767 3.960 -0.080 0.000 0.217 207 G C 1.397 176.301 174.900 0.007 0.000 1.150 207 G CA 1.361 46.564 45.100 0.172 0.000 0.776 207 G HN 0.435 nan 8.290 nan 0.000 0.542 208 L N -1.068 120.132 121.223 -0.039 0.000 2.678 208 L HA 0.482 4.774 4.340 -0.080 0.000 0.211 208 L C 2.173 178.980 176.870 -0.106 0.000 1.043 208 L CA 0.446 55.215 54.840 -0.118 0.000 0.881 208 L CB 0.011 41.907 42.059 -0.273 0.000 1.361 208 L HN 0.075 nan 8.230 nan 0.000 0.484 209 I N -0.560 119.972 120.570 -0.062 0.000 2.703 209 I HA -0.082 4.039 4.170 -0.080 0.000 0.259 209 I C 2.036 178.128 176.117 -0.042 0.000 1.151 209 I CA 0.832 62.108 61.300 -0.039 0.000 1.470 209 I CB -0.038 37.965 38.000 0.005 0.000 1.112 209 I HN 0.230 nan 8.210 nan 0.000 0.437 210 L N 1.323 122.535 121.223 -0.019 0.000 2.102 210 L HA -0.017 4.275 4.340 -0.080 0.000 0.202 210 L C -0.220 176.541 176.870 -0.182 0.000 1.076 210 L CA 1.127 55.983 54.840 0.028 0.000 0.761 210 L CB -2.002 40.193 42.059 0.226 0.000 0.921 210 L HN 0.128 nan 8.230 nan 0.000 0.444 211 P HA -0.109 nan 4.420 nan 0.000 0.217 211 P C 1.621 178.646 177.300 -0.457 0.000 1.151 211 P CA 1.751 64.297 63.100 -0.923 0.000 0.828 211 P CB -0.157 30.860 31.700 -1.140 0.000 0.788 212 G N 0.592 109.236 108.800 -0.261 0.000 2.440 212 G HA2 -0.234 3.678 3.960 -0.080 0.000 0.218 212 G HA3 -0.234 3.678 3.960 -0.080 0.000 0.218 212 G C 1.659 176.485 174.900 -0.123 0.000 1.154 212 G CA 0.571 45.586 45.100 -0.141 0.000 0.767 212 G HN 0.235 nan 8.290 nan 0.000 0.552 213 I N 0.216 120.716 120.570 -0.116 0.000 2.286 213 I HA -0.158 3.964 4.170 -0.080 0.000 0.248 213 I C 2.750 178.804 176.117 -0.106 0.000 1.115 213 I CA 0.465 61.715 61.300 -0.084 0.000 1.392 213 I CB -0.147 37.819 38.000 -0.057 0.000 1.065 213 I HN 0.048 nan 8.210 nan 0.000 0.418 214 V N 0.929 120.749 119.914 -0.158 0.000 2.270 214 V HA -0.258 3.813 4.120 -0.080 0.000 0.245 214 V C 2.291 178.286 176.094 -0.164 0.000 1.043 214 V CA 1.814 64.010 62.300 -0.173 0.000 1.014 214 V CB -0.326 31.366 31.823 -0.218 0.000 0.645 214 V HN 0.280 nan 8.190 nan 0.000 0.447 215 I N -0.256 120.220 120.570 -0.156 0.000 2.127 215 I HA -0.302 3.820 4.170 -0.080 0.000 0.241 215 I C 2.316 178.477 176.117 0.072 0.000 1.075 215 I CA 1.836 63.114 61.300 -0.037 0.000 1.334 215 I CB -0.364 37.609 38.000 -0.046 0.000 1.040 215 I HN 0.239 nan 8.210 nan 0.000 0.405 216 L N -0.275 120.951 121.223 0.005 0.000 2.131 216 L HA -0.180 4.111 4.340 -0.080 0.000 0.210 216 L C 2.601 179.477 176.870 0.010 0.000 1.092 216 L CA 1.071 55.926 54.840 0.024 0.000 0.759 216 L CB -0.582 41.463 42.059 -0.024 0.000 0.903 216 L HN 0.196 nan 8.230 nan 0.000 0.435 217 S N -0.988 114.683 115.700 -0.049 0.000 2.383 217 S HA -0.171 4.251 4.470 -0.080 0.000 0.227 217 S C 2.163 176.691 174.600 -0.119 0.000 1.026 217 S CA 1.308 59.459 58.200 -0.083 0.000 0.981 217 S CB -0.471 62.657 63.200 -0.121 0.000 0.818 217 S HN 0.448 nan 8.310 nan 0.000 0.472 218 C N 0.491 119.691 119.300 -0.167 0.000 2.436 218 C HA -0.043 4.369 4.460 -0.080 0.000 0.277 218 C C 2.343 177.223 174.990 -0.184 0.000 1.241 218 C CA 0.353 59.214 59.018 -0.262 0.000 1.721 218 C CB -1.398 26.137 27.740 -0.341 0.000 2.043 218 C HN 0.618 nan 8.230 nan 0.000 0.472 219 Y N -0.280 119.993 120.300 -0.046 0.000 2.439 219 Y HA -0.163 4.339 4.550 -0.080 0.000 0.292 219 Y C 2.765 178.655 175.900 -0.017 0.000 1.130 219 Y CA 1.289 59.375 58.100 -0.022 0.000 1.254 219 Y CB -0.537 37.897 38.460 -0.044 0.000 1.000 219 Y HN 0.512 nan 8.280 nan 0.000 0.554 220 C N 0.237 119.586 119.300 0.082 0.000 2.432 220 C HA -0.177 4.235 4.460 -0.080 0.000 0.277 220 C C 2.484 177.497 174.990 0.039 0.000 1.249 220 C CA 1.068 60.112 59.018 0.043 0.000 1.725 220 C CB -1.254 26.493 27.740 0.012 0.000 2.028 220 C HN 0.556 nan 8.230 nan 0.000 0.477 221 I N 0.689 121.279 120.570 0.032 0.000 2.315 221 I HA -0.134 3.988 4.170 -0.080 0.000 0.248 221 I C 2.389 178.558 176.117 0.086 0.000 1.117 221 I CA 1.488 62.832 61.300 0.073 0.000 1.404 221 I CB -0.346 37.728 38.000 0.124 0.000 1.071 221 I HN 0.361 nan 8.210 nan 0.000 0.419 222 I N 1.176 121.788 120.570 0.071 0.000 2.094 222 I HA -0.275 3.847 4.170 -0.080 0.000 0.234 222 I C 2.522 178.669 176.117 0.049 0.000 1.063 222 I CA 1.692 63.023 61.300 0.052 0.000 1.328 222 I CB -0.470 37.539 38.000 0.015 0.000 1.058 222 I HN 0.165 nan 8.210 nan 0.000 0.400 223 I N -0.365 120.245 120.570 0.067 0.000 2.530 223 I HA -0.227 3.895 4.170 -0.080 0.000 0.257 223 I C 2.538 178.661 176.117 0.010 0.000 1.179 223 I CA 1.901 63.226 61.300 0.042 0.000 1.440 223 I CB -0.910 37.118 38.000 0.048 0.000 1.087 223 I HN 0.309 nan 8.210 nan 0.000 0.440 224 S N 1.100 116.810 115.700 0.017 0.000 2.489 224 S HA -0.023 4.399 4.470 -0.080 0.000 0.228 224 S C 1.648 176.241 174.600 -0.012 0.000 0.995 224 S CA 0.432 58.634 58.200 0.003 0.000 0.934 224 S CB -0.185 63.026 63.200 0.018 0.000 0.771 224 S HN 0.635 nan 8.310 nan 0.000 0.522 225 K N -0.324 120.076 120.400 -0.001 0.000 2.477 225 K HA 0.367 4.639 4.320 -0.080 0.000 0.208 225 K C 1.068 177.663 176.600 -0.008 0.000 1.117 225 K CA -0.096 56.192 56.287 0.002 0.000 1.039 225 K CB 0.289 32.807 32.500 0.031 0.000 0.937 225 K HN 0.155 nan 8.250 nan 0.000 0.570 226 L N 1.200 122.411 121.223 -0.019 0.000 2.042 226 L HA -0.130 4.162 4.340 -0.080 0.000 0.210 226 L C 1.640 178.500 176.870 -0.017 0.000 1.076 226 L CA 2.011 56.847 54.840 -0.008 0.000 0.749 226 L CB -0.395 41.664 42.059 -0.001 0.000 0.893 226 L HN -0.005 nan 8.230 nan 0.000 0.432 227 S N -1.681 113.961 115.700 -0.096 0.000 2.428 227 S HA -0.079 4.343 4.470 -0.080 0.000 0.230 227 S C 0.957 175.544 174.600 -0.022 0.000 1.014 227 S CA 0.949 59.074 58.200 -0.127 0.000 0.957 227 S CB -0.576 62.457 63.200 -0.278 0.000 0.784 227 S HN 0.683 nan 8.310 nan 0.000 0.499 228 H N 0.242 119.351 119.070 0.066 0.000 2.490 228 H HA 0.450 4.959 4.556 -0.080 0.000 0.285 228 H C 0.473 175.958 175.328 0.261 0.000 1.127 228 H CA -0.499 55.627 56.048 0.130 0.000 0.993 228 H CB 0.475 30.287 29.762 0.083 0.000 1.653 228 H HN 0.106 nan 8.280 nan 0.000 0.557 229 S N 0.085 115.959 115.700 0.291 0.000 4.150 229 S HA 0.044 4.465 4.470 -0.080 0.000 0.193 229 S C 0.602 175.310 174.600 0.181 0.000 1.010 229 S CA -0.751 57.554 58.200 0.175 0.000 1.650 229 S CB 0.321 63.554 63.200 0.056 0.000 0.823 229 S HN 0.190 nan 8.310 nan 0.000 0.794 230 K N 2.765 123.218 120.400 0.087 0.000 4.391 230 K HA -0.148 4.124 4.320 -0.080 0.000 0.257 230 K C 0.805 177.490 176.600 0.142 0.000 0.667 230 K CA 0.286 56.643 56.287 0.116 0.000 0.542 230 K CB -1.549 30.997 32.500 0.078 0.000 2.054 230 K HN 0.622 nan 8.250 nan 0.000 0.397 231 G N 0.045 108.928 108.800 0.140 0.000 2.956 231 G HA2 -0.136 3.776 3.960 -0.080 0.000 0.207 231 G HA3 -0.136 3.776 3.960 -0.080 0.000 0.207 231 G C 1.101 175.987 174.900 -0.024 0.000 1.162 231 G CA -0.042 45.085 45.100 0.044 0.000 0.796 231 G HN 0.602 nan 8.290 nan 0.000 0.527 232 H N -0.657 118.434 119.070 0.035 0.000 2.431 232 H HA 0.061 4.569 4.556 -0.081 0.000 0.295 232 H C 2.268 177.621 175.328 0.041 0.000 1.038 232 H CA 0.693 56.762 56.048 0.036 0.000 1.360 232 H CB 0.382 30.164 29.762 0.032 0.000 1.433 232 H HN 0.296 nan 8.280 nan 0.000 0.536 233 Q N 1.304 121.205 119.800 0.168 0.000 2.096 233 Q HA -0.047 4.245 4.340 -0.080 0.000 0.197 233 Q C 2.103 178.155 176.000 0.087 0.000 0.964 233 Q CA 0.627 56.497 55.803 0.111 0.000 0.838 233 Q CB 0.043 28.838 28.738 0.095 0.000 0.906 233 Q HN 0.395 nan 8.270 nan 0.000 0.444 234 K N 0.524 120.969 120.400 0.075 0.000 2.063 234 K HA -0.106 4.166 4.320 -0.080 0.000 0.208 234 K C 2.162 178.792 176.600 0.050 0.000 1.048 234 K CA 1.029 57.351 56.287 0.058 0.000 0.928 234 K CB -0.003 32.524 32.500 0.045 0.000 0.713 234 K HN 0.067 nan 8.250 nan 0.000 0.442 235 R N 0.404 120.926 120.500 0.037 0.000 2.148 235 R HA -0.097 4.195 4.340 -0.080 0.000 0.223 235 R C 2.150 178.478 176.300 0.047 0.000 1.088 235 R CA 1.037 57.155 56.100 0.029 0.000 0.985 235 R CB -0.024 30.272 30.300 -0.006 0.000 0.880 235 R HN 0.022 nan 8.270 nan 0.000 0.451 236 K N 0.751 121.187 120.400 0.060 0.000 2.155 236 K HA -0.031 4.241 4.320 -0.080 0.000 0.203 236 K C 1.863 178.506 176.600 0.072 0.000 1.052 236 K CA 1.197 57.525 56.287 0.068 0.000 0.948 236 K CB -0.004 32.544 32.500 0.081 0.000 0.728 236 K HN 0.111 nan 8.250 nan 0.000 0.448 237 A N 0.526 123.392 122.820 0.076 0.000 1.898 237 A HA -0.100 4.172 4.320 -0.080 0.000 0.216 237 A C 2.004 179.639 177.584 0.085 0.000 1.181 237 A CA 1.264 53.351 52.037 0.083 0.000 0.620 237 A CB -0.583 18.468 19.000 0.084 0.000 0.819 237 A HN 0.344 nan 8.150 nan 0.000 0.442 238 L N -0.174 121.099 121.223 0.082 0.000 2.093 238 L HA -0.066 4.225 4.340 -0.080 0.000 0.208 238 L C 2.257 179.184 176.870 0.094 0.000 1.085 238 L CA 2.394 57.297 54.840 0.104 0.000 0.755 238 L CB -0.485 41.631 42.059 0.094 0.000 0.904 238 L HN 0.438 nan 8.230 nan 0.000 0.435 239 K N -1.492 118.948 120.400 0.065 0.000 2.025 239 K HA -0.141 4.130 4.320 -0.080 0.000 0.207 239 K C 1.871 178.495 176.600 0.040 0.000 1.049 239 K CA 1.764 58.078 56.287 0.045 0.000 0.933 239 K CB -0.136 32.387 32.500 0.039 0.000 0.714 239 K HN 0.359 nan 8.250 nan 0.000 0.438 240 T N 0.439 115.022 114.554 0.047 0.000 2.652 240 T HA -0.197 4.105 4.350 -0.080 0.000 0.267 240 T C 1.975 176.698 174.700 0.039 0.000 1.039 240 T CA 2.216 64.337 62.100 0.035 0.000 1.153 240 T CB -0.742 68.146 68.868 0.033 0.000 0.863 240 T HN 0.598 nan 8.240 nan 0.000 0.428 241 T N 0.910 115.505 114.554 0.068 0.000 2.746 241 T HA -0.093 4.209 4.350 -0.080 0.000 0.267 241 T C 2.046 176.777 174.700 0.052 0.000 1.039 241 T CA 1.267 63.419 62.100 0.087 0.000 1.142 241 T CB -0.960 67.999 68.868 0.152 0.000 0.866 241 T HN 0.199 nan 8.240 nan 0.000 0.444 242 V N 1.367 121.292 119.914 0.018 0.000 2.343 242 V HA -0.054 4.018 4.120 -0.080 0.000 0.247 242 V C 2.745 178.803 176.094 -0.060 0.000 1.051 242 V CA 1.598 63.833 62.300 -0.107 0.000 1.036 242 V CB -0.625 31.119 31.823 -0.131 0.000 0.654 242 V HN 0.517 nan 8.190 nan 0.000 0.451 243 I N -0.613 119.952 120.570 -0.008 0.000 2.179 243 I HA -0.244 3.878 4.170 -0.080 0.000 0.242 243 I C 2.418 178.567 176.117 0.052 0.000 1.088 243 I CA 1.421 62.732 61.300 0.019 0.000 1.357 243 I CB -0.319 37.694 38.000 0.022 0.000 1.051 243 I HN 0.336 nan 8.210 nan 0.000 0.409 244 L N 1.264 122.517 121.223 0.050 0.000 1.970 244 L HA -0.228 4.064 4.340 -0.080 0.000 0.212 244 L C 2.343 179.294 176.870 0.135 0.000 1.071 244 L CA 2.009 56.899 54.840 0.084 0.000 0.751 244 L CB -0.585 41.504 42.059 0.050 0.000 0.889 244 L HN 0.105 nan 8.230 nan 0.000 0.432 245 I N -0.996 119.618 120.570 0.074 0.000 2.163 245 I HA -0.348 3.773 4.170 -0.080 0.000 0.243 245 I C 2.548 178.767 176.117 0.171 0.000 1.085 245 I CA 1.623 62.972 61.300 0.081 0.000 1.347 245 I CB -0.384 37.593 38.000 -0.037 0.000 1.044 245 I HN 0.318 nan 8.210 nan 0.000 0.408 246 L N 0.453 121.722 121.223 0.077 0.000 2.042 246 L HA -0.236 4.056 4.340 -0.080 0.000 0.210 246 L C 2.810 179.888 176.870 0.346 0.000 1.076 246 L CA 1.493 56.406 54.840 0.121 0.000 0.749 246 L CB -0.550 41.519 42.059 0.018 0.000 0.893 246 L HN 0.265 nan 8.230 nan 0.000 0.432 247 A N -0.618 122.353 122.820 0.251 0.000 1.933 247 A HA -0.270 4.001 4.320 -0.080 0.000 0.218 247 A C 2.129 179.888 177.584 0.291 0.000 1.175 247 A CA 1.445 53.620 52.037 0.230 0.000 0.628 247 A CB -0.800 18.299 19.000 0.164 0.000 0.814 247 A HN 0.435 nan 8.150 nan 0.000 0.444 248 F N 0.171 120.255 119.950 0.224 0.000 2.075 248 F HA -0.204 4.275 4.527 -0.080 0.000 0.297 248 F C 2.022 178.037 175.800 0.358 0.000 1.113 248 F CA 2.231 60.400 58.000 0.281 0.000 1.218 248 F CB -0.557 38.591 39.000 0.246 0.000 0.984 248 F HN 0.350 nan 8.300 nan 0.000 0.472 249 F N 1.066 121.253 119.950 0.396 0.000 2.161 249 F HA -0.139 4.340 4.527 -0.080 0.000 0.300 249 F C 2.085 177.962 175.800 0.129 0.000 1.089 249 F CA 1.540 59.715 58.000 0.291 0.000 1.282 249 F CB -0.915 38.251 39.000 0.277 0.000 1.010 249 F HN 0.014 nan 8.300 nan 0.000 0.485 250 A N 0.238 123.041 122.820 -0.028 0.000 1.877 250 A HA -0.184 4.088 4.320 -0.080 0.000 0.216 250 A C 2.318 179.740 177.584 -0.270 0.000 1.186 250 A CA 1.685 53.568 52.037 -0.257 0.000 0.620 250 A CB -1.696 17.333 19.000 0.047 0.000 0.822 250 A HN 0.644 nan 8.150 nan 0.000 0.443 251 C N -2.773 116.409 119.300 -0.196 0.000 2.398 251 C HA -0.204 4.207 4.460 -0.080 0.000 0.276 251 C C 2.377 177.084 174.990 -0.471 0.000 1.222 251 C CA 0.901 59.739 59.018 -0.300 0.000 1.746 251 C CB -1.835 25.719 27.740 -0.309 0.000 2.039 251 C HN 0.827 nan 8.230 nan 0.000 0.470 252 W N 0.075 121.079 121.300 -0.494 0.000 2.800 252 W HA 0.124 4.736 4.660 -0.080 0.000 0.249 252 W C 2.223 178.142 176.519 -1.000 0.000 1.294 252 W CA -0.059 56.858 57.345 -0.713 0.000 1.402 252 W CB -0.357 28.621 29.460 -0.804 0.000 1.126 252 W HN 0.226 nan 8.180 nan 0.000 0.652 253 L N 1.899 122.771 121.223 -0.586 0.000 2.046 253 L HA -0.042 4.250 4.340 -0.080 0.000 0.208 253 L C -0.752 175.976 176.870 -0.237 0.000 1.077 253 L CA 2.099 56.645 54.840 -0.491 0.000 0.747 253 L CB -1.745 39.984 42.059 -0.549 0.000 0.896 253 L HN -0.246 nan 8.230 nan 0.000 0.432 254 P HA -0.200 nan 4.420 nan 0.000 0.218 254 P C 1.296 178.601 177.300 0.008 0.000 1.149 254 P CA 1.357 64.418 63.100 -0.064 0.000 0.817 254 P CB -0.275 31.401 31.700 -0.041 0.000 0.785 255 Y N -0.655 119.575 120.300 -0.117 0.000 2.242 255 Y HA -0.228 4.274 4.550 -0.080 0.000 0.291 255 Y C 1.952 177.930 175.900 0.130 0.000 1.137 255 Y CA 1.493 59.598 58.100 0.009 0.000 1.181 255 Y CB -0.862 37.633 38.460 0.060 0.000 0.989 255 Y HN -0.121 nan 8.280 nan 0.000 0.527 256 Y N -0.099 120.239 120.300 0.063 0.000 2.274 256 Y HA -0.192 4.310 4.550 -0.080 0.000 0.290 256 Y C 2.361 178.177 175.900 -0.140 0.000 1.145 256 Y CA 0.957 59.017 58.100 -0.067 0.000 1.203 256 Y CB -1.139 37.346 38.460 0.041 0.000 0.984 256 Y HN 0.173 nan 8.280 nan 0.000 0.533 257 I N -0.437 120.155 120.570 0.035 0.000 2.252 257 I HA -0.201 3.920 4.170 -0.080 0.000 0.245 257 I C 2.692 178.736 176.117 -0.121 0.000 1.102 257 I CA 1.429 62.703 61.300 -0.044 0.000 1.385 257 I CB -0.883 37.096 38.000 -0.035 0.000 1.064 257 I HN 0.226 nan 8.210 nan 0.000 0.414 258 G N 1.431 110.160 108.800 -0.118 0.000 2.446 258 G HA2 -0.213 3.699 3.960 -0.080 0.000 0.217 258 G HA3 -0.213 3.699 3.960 -0.080 0.000 0.217 258 G C 1.598 176.385 174.900 -0.188 0.000 1.168 258 G CA 0.581 45.603 45.100 -0.130 0.000 0.771 258 G HN 0.194 nan 8.290 nan 0.000 0.551 259 I N 2.183 122.590 120.570 -0.271 0.000 2.315 259 I HA -0.153 3.969 4.170 -0.080 0.000 0.248 259 I C 3.176 179.159 176.117 -0.223 0.000 1.117 259 I CA 1.765 62.922 61.300 -0.238 0.000 1.404 259 I CB -1.127 36.703 38.000 -0.282 0.000 1.071 259 I HN 0.382 nan 8.210 nan 0.000 0.419 260 S N 1.099 116.630 115.700 -0.282 0.000 2.382 260 S HA -0.137 4.285 4.470 -0.080 0.000 0.228 260 S C 2.089 176.142 174.600 -0.911 0.000 1.027 260 S CA 0.929 58.826 58.200 -0.505 0.000 0.991 260 S CB -0.782 62.157 63.200 -0.436 0.000 0.823 260 S HN 0.412 nan 8.310 nan 0.000 0.469 261 I N 1.889 122.121 120.570 -0.563 0.000 2.202 261 I HA -0.147 3.975 4.170 -0.080 0.000 0.242 261 I C 2.570 178.597 176.117 -0.150 0.000 1.091 261 I CA 1.652 62.730 61.300 -0.370 0.000 1.368 261 I CB -0.520 37.406 38.000 -0.122 0.000 1.058 261 I HN 0.236 nan 8.210 nan 0.000 0.410 262 D N 0.654 120.989 120.400 -0.109 0.000 2.123 262 D HA -0.153 4.439 4.640 -0.080 0.000 0.196 262 D C 2.378 178.683 176.300 0.007 0.000 0.992 262 D CA 1.372 55.366 54.000 -0.010 0.000 0.833 262 D CB -0.038 40.759 40.800 -0.005 0.000 0.954 262 D HN 0.154 nan 8.370 nan 0.000 0.455 263 S N -0.019 115.641 115.700 -0.066 0.000 2.370 263 S HA -0.157 4.264 4.470 -0.080 0.000 0.226 263 S C 1.767 176.479 174.600 0.186 0.000 1.033 263 S CA 0.630 58.835 58.200 0.008 0.000 1.011 263 S CB -0.357 62.814 63.200 -0.048 0.000 0.852 263 S HN 0.240 nan 8.310 nan 0.000 0.457 264 F N 1.351 121.311 119.950 0.017 0.000 2.269 264 F HA 0.028 4.507 4.527 -0.080 0.000 0.301 264 F C 1.978 177.793 175.800 0.025 0.000 1.082 264 F CA -0.278 57.732 58.000 0.017 0.000 1.360 264 F CB -1.177 37.843 39.000 0.033 0.000 1.041 264 F HN 0.200 nan 8.300 nan 0.000 0.512 265 I N -0.573 120.138 120.570 0.235 0.000 2.162 265 I HA -0.279 3.843 4.170 -0.080 0.000 0.238 265 I C 2.408 178.587 176.117 0.103 0.000 1.076 265 I CA 1.009 62.406 61.300 0.163 0.000 1.353 265 I CB -0.631 37.474 38.000 0.174 0.000 1.063 265 I HN -0.006 nan 8.210 nan 0.000 0.408 266 L N 0.344 121.620 121.223 0.089 0.000 2.079 266 L HA -0.217 4.075 4.340 -0.080 0.000 0.210 266 L C 2.254 179.148 176.870 0.040 0.000 1.081 266 L CA 1.340 56.213 54.840 0.055 0.000 0.752 266 L CB -0.400 41.685 42.059 0.044 0.000 0.896 266 L HN 0.318 nan 8.230 nan 0.000 0.433 267 L N -0.723 120.533 121.223 0.055 0.000 2.591 267 L HA 0.006 4.297 4.340 -0.080 0.000 0.228 267 L C 0.449 177.325 176.870 0.011 0.000 1.133 267 L CA 0.130 54.986 54.840 0.027 0.000 0.880 267 L CB -0.278 41.803 42.059 0.037 0.000 1.033 267 L HN 0.302 nan 8.230 nan 0.000 0.450 268 E N -0.655 119.559 120.200 0.023 0.000 2.586 268 E HA -0.267 4.034 4.350 -0.080 0.000 0.259 268 E C 1.059 177.638 176.600 -0.036 0.000 1.107 268 E CA 0.231 56.629 56.400 -0.002 0.000 0.754 268 E CB -1.516 28.175 29.700 -0.014 0.000 1.335 268 E HN 0.546 nan 8.360 nan 0.000 0.411 269 I N 0.277 120.820 120.570 -0.045 0.000 2.617 269 I HA -0.031 4.091 4.170 -0.080 0.000 0.256 269 I C 1.502 177.536 176.117 -0.139 0.000 1.167 269 I CA 0.893 62.098 61.300 -0.159 0.000 1.469 269 I CB -0.084 37.684 38.000 -0.387 0.000 1.098 269 I HN 0.238 nan 8.210 nan 0.000 0.436 270 I N -2.264 118.281 120.570 -0.043 0.000 2.934 270 I HA 0.472 4.593 4.170 -0.080 0.000 0.306 270 I C -0.989 175.094 176.117 -0.057 0.000 1.110 270 I CA -0.845 60.419 61.300 -0.060 0.000 1.019 270 I CB 2.334 40.303 38.000 -0.051 0.000 1.227 270 I HN -0.184 nan 8.210 nan 0.000 0.434 271 K N 4.252 124.589 120.400 -0.105 0.000 2.626 271 K HA 0.402 4.674 4.320 -0.080 0.000 0.223 271 K C -1.099 175.418 176.600 -0.138 0.000 0.992 271 K CA -0.648 55.587 56.287 -0.087 0.000 1.024 271 K CB 1.549 34.011 32.500 -0.063 0.000 1.225 271 K HN 0.544 nan 8.250 nan 0.000 0.498 272 Q N 0.184 119.883 119.800 -0.167 0.000 2.418 272 Q HA 0.477 4.769 4.340 -0.080 0.000 0.276 272 Q C 0.511 176.500 176.000 -0.019 0.000 1.081 272 Q CA -0.741 54.947 55.803 -0.192 0.000 0.864 272 Q CB 1.706 30.104 28.738 -0.566 0.000 1.384 272 Q HN 0.628 nan 8.270 nan 0.000 0.467 273 G N -0.517 108.302 108.800 0.032 0.000 2.510 273 G HA2 0.249 4.161 3.960 -0.080 0.000 0.280 273 G HA3 0.249 4.161 3.960 -0.080 0.000 0.280 273 G C 0.743 175.714 174.900 0.119 0.000 1.386 273 G CA -0.290 44.848 45.100 0.063 0.000 1.047 273 G HN 0.715 nan 8.290 nan 0.000 0.527 274 c N -1.328 117.323 118.600 0.085 0.000 2.446 274 c HA 0.038 4.560 4.570 -0.080 0.000 0.277 274 c C 2.605 176.762 174.090 0.112 0.000 1.275 274 c CA 0.873 57.251 56.329 0.082 0.000 1.727 274 c CB -0.932 41.605 42.510 0.045 0.000 2.010 274 c HN 0.913 nan 8.230 nan 0.000 0.486 275 E N 0.252 120.522 120.200 0.117 0.000 2.070 275 E HA -0.267 4.035 4.350 -0.080 0.000 0.197 275 E C 1.813 178.501 176.600 0.147 0.000 1.004 275 E CA 1.563 58.035 56.400 0.120 0.000 0.805 275 E CB -0.256 29.511 29.700 0.112 0.000 0.744 275 E HN 0.690 nan 8.360 nan 0.000 0.451 276 F N 1.552 121.532 119.950 0.049 0.000 2.102 276 F HA -0.158 4.320 4.527 -0.080 0.000 0.298 276 F C 1.983 177.824 175.800 0.070 0.000 1.105 276 F CA 1.762 59.793 58.000 0.052 0.000 1.239 276 F CB -0.043 38.979 39.000 0.036 0.000 0.991 276 F HN -0.004 nan 8.300 nan 0.000 0.474 277 E N 0.055 120.381 120.200 0.211 0.000 2.085 277 E HA -0.296 4.005 4.350 -0.080 0.000 0.194 277 E C 2.112 178.742 176.600 0.051 0.000 0.994 277 E CA 1.323 57.790 56.400 0.111 0.000 0.801 277 E CB -0.630 29.158 29.700 0.146 0.000 0.743 277 E HN 0.569 nan 8.360 nan 0.000 0.453 278 N N 0.338 119.081 118.700 0.073 0.000 2.149 278 N HA -0.158 4.533 4.740 -0.080 0.000 0.188 278 N C 1.560 177.133 175.510 0.106 0.000 1.019 278 N CA 1.607 54.717 53.050 0.099 0.000 0.857 278 N CB 0.070 38.612 38.487 0.092 0.000 0.997 278 N HN 0.049 nan 8.380 nan 0.000 0.426 279 T N 0.470 115.044 114.554 0.034 0.000 2.821 279 T HA -0.037 4.264 4.350 -0.080 0.000 0.267 279 T C 2.021 176.774 174.700 0.088 0.000 1.046 279 T CA 0.870 63.011 62.100 0.067 0.000 1.139 279 T CB -0.083 68.779 68.868 -0.009 0.000 0.871 279 T HN 0.076 nan 8.240 nan 0.000 0.454 280 V N 1.101 120.949 119.914 -0.111 0.000 2.358 280 V HA -0.176 3.896 4.120 -0.080 0.000 0.246 280 V C 2.257 178.400 176.094 0.081 0.000 1.047 280 V CA 1.989 64.243 62.300 -0.077 0.000 1.035 280 V CB -0.733 30.974 31.823 -0.193 0.000 0.658 280 V HN 0.578 nan 8.190 nan 0.000 0.452 281 H N 2.057 121.140 119.070 0.021 0.000 2.352 281 H HA -0.212 4.296 4.556 -0.080 0.000 0.299 281 H C 2.218 177.583 175.328 0.061 0.000 1.097 281 H CA 2.363 58.440 56.048 0.049 0.000 1.311 281 H CB -0.117 29.673 29.762 0.046 0.000 1.377 281 H HN 0.567 nan 8.280 nan 0.000 0.504 282 K N -1.189 119.182 120.400 -0.048 0.000 2.217 282 K HA -0.117 4.155 4.320 -0.080 0.000 0.202 282 K C 1.722 178.180 176.600 -0.238 0.000 1.051 282 K CA 1.295 57.471 56.287 -0.186 0.000 0.952 282 K CB -0.455 31.977 32.500 -0.114 0.000 0.736 282 K HN 0.341 nan 8.250 nan 0.000 0.453 283 W N 1.486 122.726 121.300 -0.100 0.000 2.576 283 W HA 0.247 4.859 4.660 -0.080 0.000 0.270 283 W C 1.770 178.257 176.519 -0.053 0.000 1.255 283 W CA 0.057 57.353 57.345 -0.082 0.000 1.314 283 W CB 0.033 29.435 29.460 -0.097 0.000 1.101 283 W HN -0.082 nan 8.180 nan 0.000 0.595 284 I N -0.583 120.062 120.570 0.124 0.000 2.226 284 I HA -0.314 3.808 4.170 -0.080 0.000 0.245 284 I C 2.339 178.534 176.117 0.129 0.000 1.100 284 I CA 1.248 62.628 61.300 0.134 0.000 1.374 284 I CB -0.596 37.456 38.000 0.087 0.000 1.057 284 I HN -0.192 nan 8.210 nan 0.000 0.413 285 S N 0.682 116.362 115.700 -0.034 0.000 2.368 285 S HA -0.123 4.299 4.470 -0.080 0.000 0.225 285 S C 2.056 176.629 174.600 -0.044 0.000 1.030 285 S CA 0.990 59.171 58.200 -0.031 0.000 0.999 285 S CB -0.141 62.987 63.200 -0.120 0.000 0.844 285 S HN 0.274 nan 8.310 nan 0.000 0.459 286 I N 2.055 122.566 120.570 -0.098 0.000 2.127 286 I HA -0.185 3.937 4.170 -0.080 0.000 0.241 286 I C 2.770 178.867 176.117 -0.033 0.000 1.075 286 I CA 2.066 63.302 61.300 -0.106 0.000 1.334 286 I CB -1.575 36.249 38.000 -0.293 0.000 1.040 286 I HN 0.467 nan 8.210 nan 0.000 0.405 287 T N -2.318 112.260 114.554 0.040 0.000 2.896 287 T HA -0.160 4.141 4.350 -0.080 0.000 0.263 287 T C 1.703 176.321 174.700 -0.137 0.000 1.050 287 T CA 1.050 63.172 62.100 0.037 0.000 1.140 287 T CB -0.364 68.600 68.868 0.159 0.000 0.877 287 T HN 0.394 nan 8.240 nan 0.000 0.457 288 E N 1.774 121.893 120.200 -0.135 0.000 2.051 288 E HA -0.139 4.163 4.350 -0.080 0.000 0.192 288 E C 2.489 178.470 176.600 -1.031 0.000 0.991 288 E CA 1.128 57.181 56.400 -0.579 0.000 0.799 288 E CB -0.499 29.013 29.700 -0.313 0.000 0.748 288 E HN 0.587 nan 8.360 nan 0.000 0.449 289 A N 1.416 123.855 122.820 -0.635 0.000 1.873 289 A HA -0.217 4.054 4.320 -0.080 0.000 0.218 289 A C 2.283 179.563 177.584 -0.506 0.000 1.193 289 A CA 1.734 53.422 52.037 -0.583 0.000 0.629 289 A CB -0.956 17.838 19.000 -0.343 0.000 0.826 289 A HN 0.362 nan 8.150 nan 0.000 0.447 290 L N -0.924 120.136 121.223 -0.272 0.000 2.131 290 L HA -0.195 4.096 4.340 -0.080 0.000 0.210 290 L C 2.994 179.780 176.870 -0.140 0.000 1.092 290 L CA 0.923 55.740 54.840 -0.038 0.000 0.759 290 L CB -0.491 41.590 42.059 0.037 0.000 0.903 290 L HN 0.465 nan 8.230 nan 0.000 0.435 291 A N -0.418 122.086 122.820 -0.527 0.000 2.067 291 A HA -0.159 4.113 4.320 -0.080 0.000 0.219 291 A C 1.815 179.006 177.584 -0.655 0.000 1.158 291 A CA 1.077 52.582 52.037 -0.888 0.000 0.661 291 A CB -0.567 17.477 19.000 -1.594 0.000 0.801 291 A HN 0.332 nan 8.150 nan 0.000 0.452 292 F N -1.267 118.412 119.950 -0.453 0.000 2.604 292 F HA 0.080 4.558 4.527 -0.080 0.000 0.298 292 F C 1.450 177.019 175.800 -0.386 0.000 1.131 292 F CA -0.607 57.179 58.000 -0.357 0.000 1.457 292 F CB -1.335 37.547 39.000 -0.198 0.000 1.095 292 F HN 0.260 nan 8.300 nan 0.000 0.574 293 F N 0.427 120.314 119.950 -0.104 0.000 2.373 293 F HA -0.242 4.237 4.527 -0.080 0.000 0.300 293 F C 2.843 178.595 175.800 -0.081 0.000 1.080 293 F CA 1.360 59.305 58.000 -0.092 0.000 1.417 293 F CB -0.797 38.150 39.000 -0.088 0.000 1.070 293 F HN 0.263 nan 8.300 nan 0.000 0.546 294 H N -1.598 117.504 119.070 0.053 0.000 2.426 294 H HA -0.226 4.282 4.556 -0.080 0.000 0.298 294 H C 1.975 177.442 175.328 0.232 0.000 1.107 294 H CA 1.714 57.826 56.048 0.106 0.000 1.298 294 H CB -1.248 28.508 29.762 -0.010 0.000 1.377 294 H HN 0.356 nan 8.280 nan 0.000 0.519 295 C N 0.771 119.880 119.300 -0.318 0.000 2.437 295 C HA -0.024 4.388 4.460 -0.080 0.000 0.283 295 C C 2.623 177.649 174.990 0.060 0.000 1.424 295 C CA 0.608 59.559 59.018 -0.111 0.000 1.782 295 C CB -1.080 26.555 27.740 -0.174 0.000 1.833 295 C HN 0.752 nan 8.230 nan 0.000 0.532 296 C N -0.397 118.960 119.300 0.096 0.000 3.070 296 C HA 0.245 4.656 4.460 -0.080 0.000 0.280 296 C C 2.291 177.370 174.990 0.149 0.000 1.264 296 C CA -0.287 58.806 59.018 0.124 0.000 1.690 296 C CB -1.370 26.463 27.740 0.155 0.000 2.049 296 C HN 0.575 nan 8.230 nan 0.000 0.636 297 L N 1.976 123.304 121.223 0.175 0.000 1.994 297 L HA -0.160 4.132 4.340 -0.080 0.000 0.208 297 L C 2.680 179.628 176.870 0.131 0.000 1.071 297 L CA 1.979 56.916 54.840 0.163 0.000 0.745 297 L CB -0.838 41.349 42.059 0.214 0.000 0.892 297 L HN 0.366 nan 8.230 nan 0.000 0.431 298 N N 0.043 118.835 118.700 0.153 0.000 2.018 298 N HA -0.158 4.534 4.740 -0.080 0.000 0.196 298 N C -0.709 174.873 175.510 0.121 0.000 1.043 298 N CA 1.943 55.061 53.050 0.113 0.000 0.856 298 N CB -1.178 37.413 38.487 0.174 0.000 1.042 298 N HN 0.037 nan 8.380 nan 0.000 0.423 299 P HA -0.092 nan 4.420 nan 0.000 0.216 299 P C 1.543 178.941 177.300 0.164 0.000 1.153 299 P CA 1.226 64.448 63.100 0.203 0.000 0.858 299 P CB -0.045 31.737 31.700 0.136 0.000 0.789 300 I N -1.433 119.210 120.570 0.122 0.000 2.208 300 I HA -0.232 3.890 4.170 -0.080 0.000 0.245 300 I C 2.259 178.446 176.117 0.117 0.000 1.097 300 I CA 1.271 62.641 61.300 0.116 0.000 1.363 300 I CB -0.595 37.472 38.000 0.111 0.000 1.051 300 I HN -0.099 nan 8.210 nan 0.000 0.413 301 L N -0.670 120.587 121.223 0.056 0.000 2.261 301 L HA -0.240 4.052 4.340 -0.080 0.000 0.216 301 L C 1.951 178.817 176.870 -0.006 0.000 1.114 301 L CA 1.252 56.087 54.840 -0.008 0.000 0.777 301 L CB -0.410 41.585 42.059 -0.108 0.000 0.910 301 L HN 0.269 nan 8.230 nan 0.000 0.440 302 Y N -0.394 119.966 120.300 0.101 0.000 2.490 302 Y HA 0.243 4.745 4.550 -0.081 0.000 0.281 302 Y C 1.473 177.415 175.900 0.071 0.000 1.174 302 Y CA -0.517 57.634 58.100 0.085 0.000 1.295 302 Y CB -0.587 37.912 38.460 0.064 0.000 1.062 302 Y HN 0.017 nan 8.280 nan 0.000 0.522 303 A N -0.706 122.239 122.820 0.209 0.000 2.445 303 A HA 0.291 4.563 4.320 -0.080 0.000 0.242 303 A C 0.177 177.892 177.584 0.217 0.000 1.075 303 A CA -0.141 51.938 52.037 0.069 0.000 0.777 303 A CB -0.534 18.481 19.000 0.025 0.000 1.013 303 A HN 0.483 nan 8.150 nan 0.000 0.493 304 F N -1.597 118.430 119.950 0.129 0.000 2.988 304 F HA -0.182 4.297 4.527 -0.081 0.000 0.287 304 F C 0.368 176.227 175.800 0.099 0.000 0.781 304 F CA 0.419 58.488 58.000 0.115 0.000 1.221 304 F CB -2.253 36.898 39.000 0.253 0.000 1.392 304 F HN 0.471 nan 8.300 nan 0.000 0.425 305 L N 0.426 121.779 121.223 0.216 0.000 2.462 305 L HA 0.406 4.697 4.340 -0.080 0.000 0.272 305 L C 1.504 178.442 176.870 0.114 0.000 1.166 305 L CA 0.952 55.895 54.840 0.173 0.000 0.880 305 L CB 0.418 42.572 42.059 0.159 0.000 1.142 305 L HN 0.515 nan 8.230 nan 0.000 0.473 306 G N 2.169 111.031 108.800 0.102 0.000 2.268 306 G HA2 -0.269 3.643 3.960 -0.080 0.000 0.240 306 G HA3 -0.269 3.643 3.960 -0.080 0.000 0.240 306 G C 0.464 175.379 174.900 0.024 0.000 1.010 306 G CA -0.052 45.082 45.100 0.057 0.000 0.618 306 G HN 0.932 nan 8.290 nan 0.000 0.516 307 A N 0.517 123.349 122.820 0.020 0.000 2.445 307 A HA 0.571 4.843 4.320 -0.080 0.000 0.242 307 A C 0.417 177.889 177.584 -0.186 0.000 1.075 307 A CA 0.595 52.560 52.037 -0.120 0.000 0.777 307 A CB 0.401 19.297 19.000 -0.173 0.000 1.013 307 A HN 0.235 nan 8.150 nan 0.000 0.493 308 K N 1.262 121.508 120.400 -0.256 0.000 2.292 308 K HA 0.397 4.668 4.320 -0.080 0.000 0.257 308 K C -1.499 174.906 176.600 -0.326 0.000 0.940 308 K CA -0.104 56.077 56.287 -0.176 0.000 0.811 308 K CB 1.377 33.840 32.500 -0.062 0.000 1.120 308 K HN 0.554 nan 8.250 nan 0.000 0.428 309 F N 3.040 122.950 119.950 -0.066 0.000 2.467 309 F HA 0.279 4.757 4.527 -0.081 0.000 0.349 309 F C 1.287 177.030 175.800 -0.095 0.000 1.182 309 F CA -0.177 57.768 58.000 -0.091 0.000 1.279 309 F CB 0.450 39.375 39.000 -0.125 0.000 1.626 309 F HN 0.267 nan 8.300 nan 0.000 0.596 310 K N -0.095 120.283 120.400 -0.036 0.000 2.438 310 K HA 0.153 4.424 4.320 -0.080 0.000 0.206 310 K C 0.056 176.458 176.600 -0.331 0.000 1.081 310 K CA 0.086 56.285 56.287 -0.145 0.000 1.053 310 K CB 1.020 33.428 32.500 -0.153 0.000 0.908 310 K HN 0.218 nan 8.250 nan 0.000 0.556 311 T N 2.298 116.740 114.554 -0.185 0.000 2.781 311 T HA 0.165 4.467 4.350 -0.080 0.000 0.305 311 T C 0.115 174.828 174.700 0.021 0.000 1.001 311 T CA -0.426 61.589 62.100 -0.140 0.000 0.950 311 T CB 1.091 69.934 68.868 -0.040 0.000 0.955 311 T HN 0.130 nan 8.240 nan 0.000 0.471 312 S N 2.266 118.078 115.700 0.186 0.000 2.707 312 S HA 0.673 5.094 4.470 -0.080 0.000 0.276 312 S C 1.873 176.575 174.600 0.171 0.000 1.179 312 S CA -0.450 57.869 58.200 0.199 0.000 0.992 312 S CB 0.982 64.317 63.200 0.226 0.000 1.030 312 S HN 0.612 nan 8.310 nan 0.000 0.554 313 A N 0.563 123.441 122.820 0.096 0.000 1.986 313 A HA -0.142 4.130 4.320 -0.080 0.000 0.220 313 A C 2.277 179.888 177.584 0.044 0.000 1.171 313 A CA 1.538 53.611 52.037 0.060 0.000 0.640 313 A CB -0.947 18.075 19.000 0.037 0.000 0.811 313 A HN 0.794 nan 8.150 nan 0.000 0.451 314 Q N -0.479 119.334 119.800 0.022 0.000 2.119 314 Q HA -0.186 4.105 4.340 -0.080 0.000 0.201 314 Q C 1.668 177.599 176.000 -0.115 0.000 0.972 314 Q CA 1.911 57.672 55.803 -0.069 0.000 0.847 314 Q CB -0.762 27.893 28.738 -0.139 0.000 0.903 314 Q HN 0.901 nan 8.270 nan 0.000 0.433 315 H N 0.635 119.710 119.070 0.009 0.000 2.518 315 H HA 0.044 4.552 4.556 -0.080 0.000 0.289 315 H C 1.733 177.066 175.328 0.010 0.000 1.051 315 H CA 1.209 57.263 56.048 0.010 0.000 1.280 315 H CB 0.063 29.832 29.762 0.013 0.000 1.380 315 H HN 0.365 nan 8.280 nan 0.000 0.566 316 A N -0.035 122.845 122.820 0.101 0.000 2.044 316 A HA 0.108 4.380 4.320 -0.080 0.000 0.213 316 A C 1.913 179.515 177.584 0.030 0.000 1.169 316 A CA 0.279 52.352 52.037 0.060 0.000 0.724 316 A CB -0.052 18.979 19.000 0.052 0.000 0.840 316 A HN 0.323 nan 8.150 nan 0.000 0.463 317 L N 0.066 121.296 121.223 0.013 0.000 2.418 317 L HA 0.092 4.384 4.340 -0.080 0.000 0.218 317 L C 1.258 178.121 176.870 -0.011 0.000 1.125 317 L CA 1.078 55.917 54.840 -0.002 0.000 0.835 317 L CB -0.031 42.022 42.059 -0.010 0.000 0.953 317 L HN 0.627 nan 8.230 nan 0.000 0.454 318 T N -6.287 108.256 114.554 -0.018 0.000 2.645 318 T HA 0.159 4.461 4.350 -0.080 0.000 0.300 318 T C 0.429 175.123 174.700 -0.009 0.000 1.210 318 T CA 0.046 62.131 62.100 -0.025 0.000 1.034 318 T CB 1.288 70.123 68.868 -0.055 0.000 1.537 318 T HN -0.111 nan 8.240 nan 0.000 0.492 319 S N -0.725 114.973 115.700 -0.004 0.000 2.614 319 S HA 0.606 5.028 4.470 -0.080 0.000 0.230 319 S C 1.190 175.815 174.600 0.041 0.000 0.952 319 S CA 0.449 58.667 58.200 0.030 0.000 0.949 319 S CB -1.026 62.192 63.200 0.030 0.000 0.786 319 S HN 2.041 nan 8.310 nan 0.000 0.478 320 G N 0.968 109.733 108.800 -0.059 0.000 2.306 320 G HA2 0.075 3.986 3.960 -0.080 0.000 0.262 320 G HA3 0.075 3.986 3.960 -0.080 0.000 0.262 320 G C -1.321 173.490 174.900 -0.147 0.000 1.263 320 G CA -1.173 43.838 45.100 -0.148 0.000 1.088 320 G HN 0.490 nan 8.290 nan 0.000 0.489 321 R N 0.576 121.034 120.500 -0.069 0.000 2.732 321 R HA 0.639 4.931 4.340 -0.080 0.000 0.278 321 R C -2.484 173.837 176.300 0.035 0.000 0.976 321 R CA -1.510 54.570 56.100 -0.034 0.000 0.963 321 R CB 1.412 31.683 30.300 -0.049 0.000 1.150 321 R HN 0.421 nan 8.270 nan 0.000 0.478 322 P HA 0.036 nan 4.420 nan 0.000 0.266 322 P C -0.419 176.965 177.300 0.141 0.000 1.195 322 P CA -0.011 63.133 63.100 0.073 0.000 0.768 322 P CB 0.426 32.162 31.700 0.060 0.000 0.838 323 L N 0.910 122.209 121.223 0.126 0.000 3.632 323 L HA -0.242 4.050 4.340 -0.080 0.000 0.510 323 L C 1.215 178.235 176.870 0.249 0.000 1.299 323 L CA 0.316 55.242 54.840 0.144 0.000 0.829 323 L CB -1.403 40.733 42.059 0.128 0.000 1.559 323 L HN 0.584 nan 8.230 nan 0.000 0.857 324 E N 0.031 120.357 120.200 0.210 0.000 2.204 324 E HA -0.155 4.147 4.350 -0.080 0.000 0.194 324 E C 1.940 178.652 176.600 0.186 0.000 0.989 324 E CA 1.201 57.755 56.400 0.256 0.000 0.824 324 E CB 0.174 29.983 29.700 0.183 0.000 0.756 324 E HN 0.590 nan 8.360 nan 0.000 0.477 325 V N 1.408 121.374 119.914 0.088 0.000 2.720 325 V HA -0.189 3.883 4.120 -0.080 0.000 0.256 325 V C 2.071 178.131 176.094 -0.057 0.000 1.082 325 V CA 0.962 63.276 62.300 0.023 0.000 1.101 325 V CB -0.127 31.701 31.823 0.008 0.000 0.693 325 V HN 0.193 nan 8.190 nan 0.000 0.479 326 L N -0.649 120.472 121.223 -0.170 0.000 2.201 326 L HA 0.010 4.301 4.340 -0.080 0.000 0.212 326 L C 1.570 178.099 176.870 -0.568 0.000 1.105 326 L CA 2.099 56.656 54.840 -0.472 0.000 0.775 326 L CB -0.454 41.125 42.059 -0.801 0.000 0.913 326 L HN 0.386 nan 8.230 nan 0.000 0.440 327 F N -1.665 118.298 119.950 0.022 0.000 2.682 327 F HA 0.281 4.760 4.527 -0.080 0.000 0.308 327 F C 1.417 177.232 175.800 0.024 0.000 1.093 327 F CA -0.769 57.245 58.000 0.023 0.000 1.244 327 F CB -0.609 38.407 39.000 0.027 0.000 1.052 327 F HN -0.025 nan 8.300 nan 0.000 0.573 1003 I N 0.854 121.271 120.570 -0.255 0.000 2.394 1003 I HA -0.146 3.975 4.170 -0.080 0.000 0.251 1003 I C 1.923 178.135 176.117 0.159 0.000 1.136 1003 I CA 0.997 62.350 61.300 0.087 0.000 1.425 1003 I CB -0.065 38.122 38.000 0.313 0.000 1.079 1003 I HN 0.521 nan 8.210 nan 0.000 0.425 1004 F N 2.019 121.957 119.950 -0.020 0.000 2.075 1004 F HA -0.251 4.231 4.527 -0.076 0.000 0.297 1004 F C 2.441 178.013 175.800 -0.380 0.000 1.113 1004 F CA 1.804 59.600 58.000 -0.340 0.000 1.218 1004 F CB -0.295 38.594 39.000 -0.186 0.000 0.984 1004 F HN 0.044 nan 8.300 nan 0.000 0.472 1005 E N 0.311 120.359 120.200 -0.254 0.000 2.077 1005 E HA -0.280 4.022 4.350 -0.080 0.000 0.193 1005 E C 2.376 178.776 176.600 -0.333 0.000 0.989 1005 E CA 1.497 57.707 56.400 -0.317 0.000 0.800 1005 E CB -0.845 28.738 29.700 -0.194 0.000 0.746 1005 E HN 0.543 nan 8.360 nan 0.000 0.452 1006 M N 0.288 119.662 119.600 -0.376 0.000 2.088 1006 M HA -0.235 4.197 4.480 -0.080 0.000 0.256 1006 M C 2.153 178.259 176.300 -0.324 0.000 1.071 1006 M CA 1.661 56.642 55.300 -0.532 0.000 1.097 1006 M CB -0.083 32.226 32.600 -0.485 0.000 1.315 1006 M HN 0.072 nan 8.290 nan 0.000 0.406 1007 L N -0.990 120.074 121.223 -0.265 0.000 2.270 1007 L HA -0.096 4.195 4.340 -0.080 0.000 0.210 1007 L C 2.671 179.350 176.870 -0.317 0.000 1.104 1007 L CA 0.410 55.136 54.840 -0.189 0.000 0.804 1007 L CB -0.615 41.396 42.059 -0.081 0.000 0.937 1007 L HN 0.326 nan 8.230 nan 0.000 0.450 1008 R N 0.805 120.986 120.500 -0.531 0.000 2.159 1008 R HA -0.141 4.151 4.340 -0.080 0.000 0.237 1008 R C 1.939 178.080 176.300 -0.264 0.000 1.131 1008 R CA 1.491 57.278 56.100 -0.522 0.000 0.982 1008 R CB -0.196 29.652 30.300 -0.754 0.000 0.868 1008 R HN 0.398 nan 8.270 nan 0.000 0.453 1009 I N -0.025 120.448 120.570 -0.162 0.000 2.585 1009 I HA -0.157 3.965 4.170 -0.080 0.000 0.254 1009 I C 1.361 177.488 176.117 0.018 0.000 1.129 1009 I CA 0.688 61.970 61.300 -0.029 0.000 1.455 1009 I CB -0.143 37.919 38.000 0.103 0.000 1.111 1009 I HN -0.003 nan 8.210 nan 0.000 0.433 1010 D N 0.461 120.888 120.400 0.045 0.000 2.194 1010 D HA -0.159 4.433 4.640 -0.080 0.000 0.204 1010 D C 1.840 178.153 176.300 0.022 0.000 0.964 1010 D CA 1.236 55.286 54.000 0.083 0.000 0.846 1010 D CB 0.245 41.135 40.800 0.150 0.000 0.962 1010 D HN 0.313 nan 8.370 nan 0.000 0.490 1011 E N -0.891 119.288 120.200 -0.035 0.000 2.508 1011 E HA 0.325 4.627 4.350 -0.080 0.000 0.217 1011 E C 0.261 176.805 176.600 -0.093 0.000 0.896 1011 E CA 0.363 56.733 56.400 -0.051 0.000 1.118 1011 E CB 1.007 30.676 29.700 -0.052 0.000 1.133 1011 E HN 0.149 nan 8.360 nan 0.000 0.526 1012 G N 0.932 109.655 108.800 -0.128 0.000 2.712 1012 G HA2 -0.174 3.738 3.960 -0.080 0.000 0.686 1012 G HA3 -0.174 3.738 3.960 -0.080 0.000 0.686 1012 G C -1.237 173.563 174.900 -0.166 0.000 1.321 1012 G CA -0.273 44.744 45.100 -0.138 0.000 0.813 1012 G HN 0.230 nan 8.290 nan 0.000 0.599 1013 L N 1.003 122.134 121.223 -0.153 0.000 2.325 1013 L HA 0.847 5.139 4.340 -0.080 0.000 0.281 1013 L C 0.303 177.128 176.870 -0.074 0.000 1.004 1013 L CA -0.822 53.935 54.840 -0.137 0.000 0.823 1013 L CB 1.369 43.336 42.059 -0.154 0.000 1.236 1013 L HN 0.635 nan 8.230 nan 0.000 0.415 1014 R N 5.757 126.233 120.500 -0.040 0.000 2.272 1014 R HA 0.363 4.654 4.340 -0.080 0.000 0.323 1014 R C 0.527 176.842 176.300 0.026 0.000 1.002 1014 R CA -0.455 55.642 56.100 -0.006 0.000 0.900 1014 R CB 1.117 31.425 30.300 0.013 0.000 1.151 1014 R HN 0.817 nan 8.270 nan 0.000 0.507 1015 L N 1.383 122.621 121.223 0.024 0.000 2.291 1015 L HA -0.004 4.287 4.340 -0.080 0.000 0.214 1015 L C 0.964 177.862 176.870 0.047 0.000 1.120 1015 L CA 1.256 56.117 54.840 0.035 0.000 0.799 1015 L CB -0.158 41.917 42.059 0.027 0.000 0.925 1015 L HN 0.305 nan 8.230 nan 0.000 0.446 1016 K N 0.651 121.086 120.400 0.058 0.000 2.207 1016 K HA 0.412 4.684 4.320 -0.080 0.000 0.255 1016 K C -0.328 176.343 176.600 0.119 0.000 0.941 1016 K CA -0.717 55.617 56.287 0.078 0.000 0.825 1016 K CB 1.658 34.204 32.500 0.076 0.000 1.119 1016 K HN -0.144 nan 8.250 nan 0.000 0.430 1017 I N 4.015 124.662 120.570 0.127 0.000 2.683 1017 I HA -0.062 4.060 4.170 -0.080 0.000 0.286 1017 I C -0.465 175.795 176.117 0.239 0.000 1.175 1017 I CA 0.330 61.734 61.300 0.175 0.000 1.429 1017 I CB 0.130 38.217 38.000 0.145 0.000 1.371 1017 I HN 0.580 nan 8.210 nan 0.000 0.569 1018 Y N 7.495 127.867 120.300 0.119 0.000 2.361 1018 Y HA 0.352 4.824 4.550 -0.130 0.000 0.337 1018 Y C -0.434 175.507 175.900 0.070 0.000 0.965 1018 Y CA -0.976 57.175 58.100 0.085 0.000 1.091 1018 Y CB 1.218 39.705 38.460 0.045 0.000 1.182 1018 Y HN 0.427 nan 8.280 nan 0.000 0.450 1019 K N 6.010 126.068 120.400 -0.569 0.000 2.253 1019 K HA 0.192 4.464 4.320 -0.080 0.000 0.277 1019 K C -0.753 175.286 176.600 -0.935 0.000 1.053 1019 K CA -0.679 55.191 56.287 -0.696 0.000 0.892 1019 K CB 0.472 32.607 32.500 -0.608 0.000 1.102 1019 K HN 0.894 nan 8.250 nan 0.000 0.469 1020 D N 2.247 122.335 120.400 -0.521 0.000 2.440 1020 D HA -0.049 4.543 4.640 -0.080 0.000 0.269 1020 D C 1.017 177.227 176.300 -0.151 0.000 1.249 1020 D CA -0.188 53.679 54.000 -0.222 0.000 1.055 1020 D CB 0.172 41.036 40.800 0.107 0.000 1.104 1020 D HN 0.542 nan 8.370 nan 0.000 0.561 1021 T N -3.499 111.039 114.554 -0.027 0.000 3.085 1021 T HA -0.023 4.278 4.350 -0.080 0.000 0.263 1021 T C 0.766 175.466 174.700 -0.000 0.000 1.127 1021 T CA 0.478 62.565 62.100 -0.021 0.000 1.103 1021 T CB -0.133 68.743 68.868 0.013 0.000 0.921 1021 T HN 0.355 nan 8.240 nan 0.000 0.510 1022 E N 0.824 121.057 120.200 0.055 0.000 2.499 1022 E HA 0.324 4.626 4.350 -0.080 0.000 0.199 1022 E C 1.395 178.036 176.600 0.069 0.000 1.016 1022 E CA 0.256 56.728 56.400 0.119 0.000 0.933 1022 E CB 0.215 30.057 29.700 0.237 0.000 1.050 1022 E HN 0.654 nan 8.360 nan 0.000 0.462 1023 G N 1.034 109.786 108.800 -0.080 0.000 2.159 1023 G HA2 -0.309 3.603 3.960 -0.080 0.000 0.256 1023 G HA3 -0.309 3.603 3.960 -0.080 0.000 0.256 1023 G C -0.160 174.495 174.900 -0.408 0.000 0.977 1023 G CA -0.047 44.892 45.100 -0.267 0.000 0.652 1023 G HN 0.249 nan 8.290 nan 0.000 0.531 1024 Y N -0.027 120.122 120.300 -0.251 0.000 2.316 1024 Y HA 0.583 5.165 4.550 0.053 0.000 0.331 1024 Y C 0.603 176.356 175.900 -0.244 0.000 1.083 1024 Y CA -0.632 57.373 58.100 -0.159 0.000 1.206 1024 Y CB 0.612 39.037 38.460 -0.057 0.000 1.195 1024 Y HN 0.190 nan 8.280 nan 0.000 0.497 1025 Y N 1.468 121.829 120.300 0.102 0.000 2.326 1025 Y HA 0.464 4.977 4.550 -0.063 0.000 0.337 1025 Y C 0.548 176.515 175.900 0.111 0.000 1.023 1025 Y CA -0.342 57.801 58.100 0.073 0.000 1.143 1025 Y CB 1.712 40.189 38.460 0.028 0.000 1.183 1025 Y HN 0.495 nan 8.280 nan 0.000 0.485 1026 T N 4.237 118.948 114.554 0.262 0.000 2.903 1026 T HA 0.711 5.013 4.350 -0.080 0.000 0.299 1026 T C -1.653 173.175 174.700 0.213 0.000 1.093 1026 T CA -0.480 61.746 62.100 0.211 0.000 1.002 1026 T CB 1.341 70.315 68.868 0.178 0.000 1.127 1026 T HN 0.512 nan 8.240 nan 0.000 0.488 1027 I N 1.011 121.695 120.570 0.191 0.000 3.102 1027 I HA 0.688 4.810 4.170 -0.080 0.000 0.310 1027 I C 0.704 176.899 176.117 0.131 0.000 1.246 1027 I CA 0.846 62.243 61.300 0.162 0.000 0.979 1027 I CB 1.665 39.763 38.000 0.163 0.000 1.267 1027 I HN 0.899 nan 8.210 nan 0.000 0.451 1028 G N 4.622 113.471 108.800 0.082 0.000 2.622 1028 G HA2 -0.290 3.622 3.960 -0.080 0.000 0.307 1028 G HA3 -0.290 3.622 3.960 -0.080 0.000 0.307 1028 G C 0.191 175.094 174.900 0.005 0.000 1.226 1028 G CA 0.485 45.617 45.100 0.052 0.000 0.997 1028 G HN 0.829 nan 8.290 nan 0.000 0.551 1029 I N 3.041 123.606 120.570 -0.008 0.000 2.257 1029 I HA 0.405 4.527 4.170 -0.080 0.000 0.290 1029 I C 1.542 177.635 176.117 -0.040 0.000 1.137 1029 I CA 0.865 62.107 61.300 -0.096 0.000 1.255 1029 I CB -0.186 37.645 38.000 -0.282 0.000 1.485 1029 I HN 1.567 nan 8.210 nan 0.000 0.534 1030 G N 3.639 112.426 108.800 -0.022 0.000 2.283 1030 G HA2 -0.336 3.576 3.960 -0.080 0.000 0.280 1030 G HA3 -0.336 3.576 3.960 -0.080 0.000 0.280 1030 G C 0.162 175.068 174.900 0.010 0.000 1.029 1030 G CA 0.145 45.234 45.100 -0.020 0.000 0.840 1030 G HN 0.772 nan 8.290 nan 0.000 0.505 1031 H N -0.283 118.785 119.070 -0.003 0.000 2.782 1031 H HA 0.560 5.071 4.556 -0.074 0.000 0.285 1031 H C 0.712 176.077 175.328 0.061 0.000 1.093 1031 H CA -0.723 55.338 56.048 0.020 0.000 1.410 1031 H CB 0.369 30.156 29.762 0.040 0.000 1.439 1031 H HN 0.271 nan 8.280 nan 0.000 0.469 1032 L N 6.709 127.739 121.223 -0.322 0.000 2.367 1032 L HA 0.052 4.343 4.340 -0.080 0.000 0.275 1032 L C 0.434 177.211 176.870 -0.155 0.000 1.129 1032 L CA -0.026 54.739 54.840 -0.125 0.000 0.839 1032 L CB 0.646 42.679 42.059 -0.043 0.000 1.133 1032 L HN 0.822 nan 8.230 nan 0.000 0.453 1033 L N 2.587 123.840 121.223 0.051 0.000 2.349 1033 L HA 0.200 4.492 4.340 -0.080 0.000 0.200 1033 L C 0.461 177.377 176.870 0.077 0.000 1.064 1033 L CA 0.535 55.425 54.840 0.084 0.000 0.821 1033 L CB 0.510 42.651 42.059 0.137 0.000 1.027 1033 L HN 0.765 nan 8.230 nan 0.000 0.476 1034 T N -2.659 111.970 114.554 0.124 0.000 2.827 1034 T HA 0.277 4.579 4.350 -0.080 0.000 0.328 1034 T C -0.976 173.806 174.700 0.137 0.000 1.598 1034 T CA -0.902 61.254 62.100 0.093 0.000 1.043 1034 T CB 1.767 70.651 68.868 0.027 0.000 1.447 1034 T HN 0.206 nan 8.240 nan 0.000 0.491 1035 K N 0.531 120.939 120.400 0.013 0.000 2.972 1035 K HA 0.549 4.821 4.320 -0.080 0.000 0.209 1035 K C 0.036 176.561 176.600 -0.126 0.000 1.128 1035 K CA -0.689 55.488 56.287 -0.183 0.000 1.024 1035 K CB 0.751 32.914 32.500 -0.561 0.000 0.754 1035 K HN 0.622 nan 8.250 nan 0.000 0.454 1036 S N 0.157 115.876 115.700 0.031 0.000 2.599 1036 S HA 0.472 4.894 4.470 -0.080 0.000 0.294 1036 S C -2.075 172.603 174.600 0.129 0.000 1.094 1036 S CA -1.308 56.907 58.200 0.024 0.000 0.931 1036 S CB 1.712 64.910 63.200 -0.004 0.000 1.093 1036 S HN -0.136 nan 8.310 nan 0.000 0.488 1037 P HA -0.003 nan 4.420 nan 0.000 0.216 1037 P C 0.363 177.723 177.300 0.099 0.000 1.150 1037 P CA 0.817 63.994 63.100 0.129 0.000 0.837 1037 P CB -0.085 31.644 31.700 0.049 0.000 0.786 1038 S N -0.627 115.067 115.700 -0.010 0.000 2.525 1038 S HA 0.005 4.426 4.470 -0.080 0.000 0.285 1038 S C 1.210 175.644 174.600 -0.278 0.000 1.283 1038 S CA -0.509 57.641 58.200 -0.084 0.000 1.072 1038 S CB -0.154 62.996 63.200 -0.083 0.000 0.867 1038 S HN -0.110 nan 8.310 nan 0.000 0.492 1039 L N 6.053 127.124 121.223 -0.253 0.000 2.072 1039 L HA 0.033 4.325 4.340 -0.080 0.000 0.205 1039 L C 1.872 178.571 176.870 -0.285 0.000 1.079 1039 L CA 1.761 56.363 54.840 -0.396 0.000 0.752 1039 L CB -0.766 41.223 42.059 -0.118 0.000 0.906 1039 L HN 0.626 nan 8.230 nan 0.000 0.436 1040 N N 0.367 118.971 118.700 -0.160 0.000 2.223 1040 N HA -0.139 4.553 4.740 -0.080 0.000 0.185 1040 N C 1.817 177.257 175.510 -0.117 0.000 1.016 1040 N CA 1.464 54.449 53.050 -0.109 0.000 0.863 1040 N CB -0.382 38.066 38.487 -0.066 0.000 0.983 1040 N HN 0.539 nan 8.380 nan 0.000 0.429 1041 A N 0.823 123.558 122.820 -0.143 0.000 1.969 1041 A HA 0.077 4.349 4.320 -0.080 0.000 0.218 1041 A C 2.364 179.861 177.584 -0.145 0.000 1.169 1041 A CA 1.663 53.627 52.037 -0.121 0.000 0.635 1041 A CB -0.640 18.296 19.000 -0.108 0.000 0.810 1041 A HN 0.304 nan 8.150 nan 0.000 0.445 1042 A N 0.140 122.801 122.820 -0.265 0.000 1.877 1042 A HA -0.175 4.096 4.320 -0.080 0.000 0.216 1042 A C 2.101 179.616 177.584 -0.114 0.000 1.186 1042 A CA 1.841 53.729 52.037 -0.249 0.000 0.620 1042 A CB -0.479 18.201 19.000 -0.534 0.000 0.822 1042 A HN 0.533 nan 8.150 nan 0.000 0.443 1043 K N 0.056 120.389 120.400 -0.112 0.000 2.044 1043 K HA -0.135 4.137 4.320 -0.080 0.000 0.210 1043 K C 2.365 178.947 176.600 -0.030 0.000 1.049 1043 K CA 1.741 57.997 56.287 -0.051 0.000 0.927 1043 K CB -0.300 32.171 32.500 -0.048 0.000 0.713 1043 K HN 0.455 nan 8.250 nan 0.000 0.443 1044 S N 1.096 116.773 115.700 -0.040 0.000 2.370 1044 S HA -0.211 4.211 4.470 -0.080 0.000 0.226 1044 S C 1.973 176.568 174.600 -0.007 0.000 1.033 1044 S CA 1.612 59.798 58.200 -0.023 0.000 1.011 1044 S CB -0.218 62.965 63.200 -0.028 0.000 0.852 1044 S HN 0.344 nan 8.310 nan 0.000 0.457 1045 E N 1.079 121.275 120.200 -0.006 0.000 2.051 1045 E HA -0.129 4.173 4.350 -0.080 0.000 0.192 1045 E C 1.965 178.591 176.600 0.043 0.000 0.991 1045 E CA 0.778 57.192 56.400 0.022 0.000 0.799 1045 E CB -0.351 29.366 29.700 0.029 0.000 0.748 1045 E HN 0.309 nan 8.360 nan 0.000 0.449 1046 L N 1.042 122.289 121.223 0.040 0.000 2.042 1046 L HA -0.189 4.103 4.340 -0.080 0.000 0.210 1046 L C 1.356 178.240 176.870 0.022 0.000 1.076 1046 L CA 2.131 56.998 54.840 0.045 0.000 0.749 1046 L CB -0.622 41.463 42.059 0.043 0.000 0.893 1046 L HN 0.138 nan 8.230 nan 0.000 0.432 1047 D N -0.444 119.963 120.400 0.012 0.000 2.084 1047 D HA -0.215 4.376 4.640 -0.080 0.000 0.196 1047 D C 2.126 178.430 176.300 0.007 0.000 0.985 1047 D CA 1.420 55.424 54.000 0.006 0.000 0.826 1047 D CB -0.205 40.595 40.800 0.000 0.000 0.978 1047 D HN 0.339 nan 8.370 nan 0.000 0.456 1048 K N 0.560 120.966 120.400 0.010 0.000 2.059 1048 K HA -0.217 4.055 4.320 -0.080 0.000 0.212 1048 K C 1.950 178.559 176.600 0.014 0.000 1.050 1048 K CA 1.722 58.016 56.287 0.012 0.000 0.927 1048 K CB -0.099 32.411 32.500 0.017 0.000 0.714 1048 K HN 0.088 nan 8.250 nan 0.000 0.447 1049 A N 0.874 123.706 122.820 0.019 0.000 1.854 1049 A HA -0.084 4.188 4.320 -0.080 0.000 0.214 1049 A C 2.030 179.610 177.584 -0.006 0.000 1.192 1049 A CA 1.214 53.259 52.037 0.013 0.000 0.611 1049 A CB -0.372 18.641 19.000 0.023 0.000 0.832 1049 A HN 0.274 nan 8.150 nan 0.000 0.442 1050 I N -1.003 119.562 120.570 -0.009 0.000 2.353 1050 I HA 0.003 4.125 4.170 -0.080 0.000 0.248 1050 I C 1.840 177.953 176.117 -0.007 0.000 1.119 1050 I CA 1.679 62.971 61.300 -0.013 0.000 1.417 1050 I CB -1.664 36.331 38.000 -0.010 0.000 1.078 1050 I HN 0.591 nan 8.210 nan 0.000 0.421 1051 G N 2.288 111.087 108.800 -0.002 0.000 2.141 1051 G HA2 -0.214 3.698 3.960 -0.080 0.000 0.195 1051 G HA3 -0.214 3.698 3.960 -0.080 0.000 0.195 1051 G C 0.256 175.155 174.900 -0.001 0.000 1.012 1051 G CA 0.187 45.287 45.100 -0.001 0.000 0.696 1051 G HN 0.642 nan 8.290 nan 0.000 0.508 1052 R N -2.024 118.476 120.500 -0.001 0.000 2.709 1052 R HA 0.449 4.741 4.340 -0.080 0.000 0.270 1052 R C -0.727 175.573 176.300 0.000 0.000 1.038 1052 R CA -0.714 55.385 56.100 -0.001 0.000 0.872 1052 R CB 0.115 30.415 30.300 -0.001 0.000 1.259 1052 R HN 0.128 nan 8.270 nan 0.000 0.473 1053 N N 0.832 119.532 118.700 -0.000 0.000 2.498 1053 N HA -0.018 4.674 4.740 -0.080 0.000 0.277 1053 N C 0.805 176.316 175.510 0.001 0.000 1.208 1053 N CA 0.330 53.379 53.050 -0.001 0.000 1.029 1053 N CB 0.878 39.364 38.487 -0.002 0.000 1.403 1053 N HN 0.684 nan 8.380 nan 0.000 0.500 1054 T N 0.189 114.745 114.554 0.003 0.000 2.904 1054 T HA -0.083 4.219 4.350 -0.080 0.000 0.267 1054 T C 0.771 175.476 174.700 0.008 0.000 1.059 1054 T CA 0.360 62.464 62.100 0.007 0.000 1.137 1054 T CB -0.107 68.767 68.868 0.011 0.000 0.879 1054 T HN 0.582 nan 8.240 nan 0.000 0.467 1055 N N 1.315 120.018 118.700 0.005 0.000 2.741 1055 N HA -0.178 4.514 4.740 -0.080 0.000 0.250 1055 N C 0.964 176.482 175.510 0.012 0.000 1.115 1055 N CA 1.163 54.216 53.050 0.005 0.000 0.724 1055 N CB -1.751 36.739 38.487 0.006 0.000 1.090 1055 N HN 1.041 nan 8.380 nan 0.000 0.558 1056 G N -2.164 106.645 108.800 0.015 0.000 2.143 1056 G HA2 -0.294 3.618 3.960 -0.080 0.000 0.248 1056 G HA3 -0.294 3.618 3.960 -0.080 0.000 0.248 1056 G C -0.108 174.816 174.900 0.040 0.000 0.991 1056 G CA 0.431 45.549 45.100 0.030 0.000 0.689 1056 G HN 0.509 nan 8.290 nan 0.000 0.522 1057 V N 1.740 121.672 119.914 0.031 0.000 2.487 1057 V HA 0.753 4.825 4.120 -0.080 0.000 0.298 1057 V C 0.478 176.587 176.094 0.026 0.000 1.028 1057 V CA -0.444 61.875 62.300 0.031 0.000 0.860 1057 V CB 1.733 33.572 31.823 0.026 0.000 0.991 1057 V HN 0.677 nan 8.190 nan 0.000 0.427 1058 I N 1.435 122.022 120.570 0.029 0.000 2.892 1058 I HA 0.831 4.952 4.170 -0.080 0.000 0.306 1058 I C 0.377 176.507 176.117 0.022 0.000 1.078 1058 I CA -0.599 60.714 61.300 0.022 0.000 1.032 1058 I CB 2.476 40.489 38.000 0.022 0.000 1.229 1058 I HN 0.641 nan 8.210 nan 0.000 0.435 1059 T N -0.323 114.241 114.554 0.016 0.000 2.828 1059 T HA 0.191 4.493 4.350 -0.080 0.000 0.290 1059 T C 0.884 175.599 174.700 0.025 0.000 1.019 1059 T CA -0.437 61.672 62.100 0.015 0.000 1.031 1059 T CB 1.370 70.241 68.868 0.004 0.000 1.001 1059 T HN 0.911 nan 8.240 nan 0.000 0.531 1060 K N 0.318 120.737 120.400 0.031 0.000 2.160 1060 K HA -0.196 4.076 4.320 -0.080 0.000 0.206 1060 K C 1.290 177.901 176.600 0.018 0.000 1.047 1060 K CA 1.789 58.112 56.287 0.060 0.000 0.930 1060 K CB -0.260 32.278 32.500 0.063 0.000 0.720 1060 K HN 0.629 nan 8.250 nan 0.000 0.450 1061 D N 0.675 121.061 120.400 -0.023 0.000 2.123 1061 D HA -0.115 4.477 4.640 -0.080 0.000 0.200 1061 D C 1.663 177.934 176.300 -0.048 0.000 0.976 1061 D CA 1.110 55.071 54.000 -0.066 0.000 0.831 1061 D CB 0.053 40.821 40.800 -0.052 0.000 0.974 1061 D HN 0.347 nan 8.370 nan 0.000 0.469 1062 E N 0.517 120.707 120.200 -0.016 0.000 2.150 1062 E HA -0.058 4.244 4.350 -0.080 0.000 0.193 1062 E C 2.051 178.657 176.600 0.010 0.000 0.985 1062 E CA 0.774 57.168 56.400 -0.009 0.000 0.814 1062 E CB 0.030 29.727 29.700 -0.006 0.000 0.752 1062 E HN 0.160 nan 8.360 nan 0.000 0.466 1063 A N 1.121 123.968 122.820 0.045 0.000 1.908 1063 A HA -0.280 3.991 4.320 -0.080 0.000 0.218 1063 A C 2.048 179.757 177.584 0.208 0.000 1.181 1063 A CA 1.757 53.859 52.037 0.109 0.000 0.627 1063 A CB -0.452 18.634 19.000 0.142 0.000 0.818 1063 A HN 0.255 nan 8.150 nan 0.000 0.445 1064 E N -0.388 119.890 120.200 0.130 0.000 2.150 1064 E HA -0.207 4.095 4.350 -0.080 0.000 0.193 1064 E C 2.002 178.672 176.600 0.118 0.000 0.985 1064 E CA 1.401 57.826 56.400 0.041 0.000 0.814 1064 E CB -0.077 29.260 29.700 -0.605 0.000 0.752 1064 E HN 0.655 nan 8.360 nan 0.000 0.466 1065 K N 0.268 120.690 120.400 0.037 0.000 2.031 1065 K HA -0.092 4.179 4.320 -0.080 0.000 0.205 1065 K C 2.123 178.737 176.600 0.024 0.000 1.049 1065 K CA 0.872 57.170 56.287 0.019 0.000 0.939 1065 K CB -0.058 32.434 32.500 -0.014 0.000 0.717 1065 K HN 0.134 nan 8.250 nan 0.000 0.438 1066 L N 0.380 121.602 121.223 -0.002 0.000 2.079 1066 L HA -0.192 4.099 4.340 -0.080 0.000 0.210 1066 L C 2.404 179.293 176.870 0.031 0.000 1.081 1066 L CA 1.275 56.050 54.840 -0.107 0.000 0.752 1066 L CB -0.463 41.426 42.059 -0.285 0.000 0.896 1066 L HN 0.254 nan 8.230 nan 0.000 0.433 1067 F N 1.139 121.094 119.950 0.008 0.000 2.146 1067 F HA -0.167 4.307 4.527 -0.087 0.000 0.298 1067 F C 2.271 178.141 175.800 0.117 0.000 1.096 1067 F CA 1.507 59.551 58.000 0.075 0.000 1.275 1067 F CB -0.312 38.794 39.000 0.177 0.000 1.008 1067 F HN 0.070 nan 8.300 nan 0.000 0.480 1068 N N 0.447 119.127 118.700 -0.034 0.000 2.244 1068 N HA -0.147 4.545 4.740 -0.080 0.000 0.183 1068 N C 1.770 177.226 175.510 -0.090 0.000 1.016 1068 N CA 1.265 54.241 53.050 -0.123 0.000 0.866 1068 N CB -0.408 38.078 38.487 -0.001 0.000 0.980 1068 N HN 0.497 nan 8.380 nan 0.000 0.430 1069 Q N 0.298 120.077 119.800 -0.035 0.000 2.016 1069 Q HA -0.094 4.197 4.340 -0.080 0.000 0.200 1069 Q C 1.179 177.192 176.000 0.023 0.000 0.978 1069 Q CA 1.192 56.994 55.803 -0.002 0.000 0.833 1069 Q CB -0.015 28.733 28.738 0.016 0.000 0.895 1069 Q HN 0.317 nan 8.270 nan 0.000 0.427 1070 D N -0.133 120.295 120.400 0.046 0.000 2.133 1070 D HA -0.153 4.438 4.640 -0.080 0.000 0.195 1070 D C 1.935 178.365 176.300 0.215 0.000 0.997 1070 D CA 1.082 55.164 54.000 0.137 0.000 0.840 1070 D CB -0.153 40.705 40.800 0.096 0.000 0.947 1070 D HN 0.065 nan 8.370 nan 0.000 0.452 1071 V N 1.455 121.393 119.914 0.041 0.000 2.343 1071 V HA -0.205 3.867 4.120 -0.080 0.000 0.247 1071 V C 1.721 177.790 176.094 -0.041 0.000 1.051 1071 V CA 1.683 63.975 62.300 -0.014 0.000 1.036 1071 V CB -0.345 31.303 31.823 -0.291 0.000 0.654 1071 V HN 0.053 nan 8.190 nan 0.000 0.451 1072 D N 0.105 120.484 120.400 -0.035 0.000 2.269 1072 D HA -0.024 4.567 4.640 -0.080 0.000 0.208 1072 D C 2.109 178.397 176.300 -0.021 0.000 0.963 1072 D CA 1.291 55.275 54.000 -0.027 0.000 0.864 1072 D CB -0.100 40.690 40.800 -0.016 0.000 0.936 1072 D HN 0.456 nan 8.370 nan 0.000 0.505 1073 A N 0.751 123.577 122.820 0.011 0.000 1.898 1073 A HA 0.110 4.382 4.320 -0.080 0.000 0.214 1073 A C 2.258 179.830 177.584 -0.020 0.000 1.183 1073 A CA 1.573 53.620 52.037 0.016 0.000 0.622 1073 A CB -0.449 18.589 19.000 0.064 0.000 0.824 1073 A HN 0.207 nan 8.150 nan 0.000 0.444 1074 A N -0.520 122.279 122.820 -0.035 0.000 1.929 1074 A HA 0.086 4.358 4.320 -0.080 0.000 0.216 1074 A C 2.175 179.634 177.584 -0.209 0.000 1.176 1074 A CA 1.568 53.521 52.037 -0.141 0.000 0.628 1074 A CB -0.752 18.046 19.000 -0.337 0.000 0.816 1074 A HN 0.327 nan 8.150 nan 0.000 0.444 1075 V N -0.018 119.771 119.914 -0.209 0.000 2.307 1075 V HA -0.248 3.824 4.120 -0.080 0.000 0.245 1075 V C 2.591 178.523 176.094 -0.270 0.000 1.045 1075 V CA 2.140 64.253 62.300 -0.311 0.000 1.024 1075 V CB -0.805 30.895 31.823 -0.205 0.000 0.651 1075 V HN 0.511 nan 8.190 nan 0.000 0.449 1076 R N 0.048 120.457 120.500 -0.151 0.000 2.105 1076 R HA -0.151 4.140 4.340 -0.080 0.000 0.239 1076 R C 2.403 178.639 176.300 -0.107 0.000 1.135 1076 R CA 1.617 57.653 56.100 -0.107 0.000 0.967 1076 R CB -0.741 29.524 30.300 -0.057 0.000 0.861 1076 R HN 0.611 nan 8.270 nan 0.000 0.442 1077 G N 0.517 109.253 108.800 -0.106 0.000 2.403 1077 G HA2 -0.176 3.736 3.960 -0.080 0.000 0.216 1077 G HA3 -0.176 3.736 3.960 -0.080 0.000 0.216 1077 G C 1.425 176.256 174.900 -0.115 0.000 1.154 1077 G CA 0.224 45.271 45.100 -0.088 0.000 0.784 1077 G HN 0.161 nan 8.290 nan 0.000 0.538 1078 I N 0.457 120.917 120.570 -0.183 0.000 2.226 1078 I HA -0.111 4.011 4.170 -0.080 0.000 0.245 1078 I C 2.407 178.408 176.117 -0.193 0.000 1.100 1078 I CA 0.789 61.961 61.300 -0.214 0.000 1.374 1078 I CB -0.079 37.698 38.000 -0.371 0.000 1.057 1078 I HN 0.108 nan 8.210 nan 0.000 0.413 1079 L N 0.025 121.117 121.223 -0.219 0.000 2.551 1079 L HA -0.073 4.219 4.340 -0.080 0.000 0.228 1079 L C 2.205 179.031 176.870 -0.074 0.000 1.153 1079 L CA 0.758 55.516 54.840 -0.137 0.000 0.851 1079 L CB -0.349 41.632 42.059 -0.130 0.000 0.959 1079 L HN 0.197 nan 8.230 nan 0.000 0.451 1080 R N -1.247 119.210 120.500 -0.071 0.000 2.335 1080 R HA 0.096 4.388 4.340 -0.080 0.000 0.210 1080 R C 0.603 176.881 176.300 -0.036 0.000 0.892 1080 R CA -0.199 55.875 56.100 -0.044 0.000 1.048 1080 R CB 0.222 30.500 30.300 -0.038 0.000 1.067 1080 R HN 0.123 nan 8.270 nan 0.000 0.524 1081 N N 1.291 119.964 118.700 -0.045 0.000 2.401 1081 N HA 0.078 4.770 4.740 -0.080 0.000 0.255 1081 N C 0.497 175.993 175.510 -0.023 0.000 1.110 1081 N CA 0.063 53.094 53.050 -0.032 0.000 0.949 1081 N CB 1.627 40.092 38.487 -0.037 0.000 1.110 1081 N HN 0.104 nan 8.380 nan 0.000 0.490 1082 A N 5.066 127.877 122.820 -0.014 0.000 2.019 1082 A HA -0.116 4.156 4.320 -0.080 0.000 0.219 1082 A C 1.937 179.519 177.584 -0.004 0.000 1.164 1082 A CA 1.160 53.192 52.037 -0.008 0.000 0.644 1082 A CB -0.061 18.935 19.000 -0.006 0.000 0.805 1082 A HN 0.718 nan 8.150 nan 0.000 0.449 1083 K N -0.505 119.893 120.400 -0.004 0.000 2.103 1083 K HA 0.069 4.341 4.320 -0.080 0.000 0.204 1083 K C 1.567 178.171 176.600 0.007 0.000 1.052 1083 K CA 1.053 57.340 56.287 0.001 0.000 0.945 1083 K CB -0.249 32.252 32.500 0.002 0.000 0.722 1083 K HN 0.494 nan 8.250 nan 0.000 0.443 1084 L N 0.831 122.055 121.223 0.002 0.000 2.477 1084 L HA 0.025 4.317 4.340 -0.080 0.000 0.220 1084 L C 2.464 179.352 176.870 0.030 0.000 1.106 1084 L CA 0.223 55.070 54.840 0.011 0.000 0.851 1084 L CB -0.182 41.871 42.059 -0.011 0.000 0.994 1084 L HN 0.043 nan 8.230 nan 0.000 0.462 1085 K N 1.463 121.870 120.400 0.013 0.000 1.978 1085 K HA -0.155 4.117 4.320 -0.080 0.000 0.214 1085 K C -0.532 176.112 176.600 0.073 0.000 1.049 1085 K CA 1.940 58.241 56.287 0.024 0.000 0.939 1085 K CB -1.111 31.392 32.500 0.004 0.000 0.721 1085 K HN 0.169 nan 8.250 nan 0.000 0.441 1086 P HA -0.046 nan 4.420 nan 0.000 0.223 1086 P C 1.642 178.979 177.300 0.061 0.000 1.151 1086 P CA 0.781 63.912 63.100 0.052 0.000 0.787 1086 P CB 0.077 31.792 31.700 0.025 0.000 0.788 1087 V N -0.663 119.291 119.914 0.066 0.000 2.323 1087 V HA -0.239 3.833 4.120 -0.080 0.000 0.244 1087 V C 2.560 178.717 176.094 0.105 0.000 1.041 1087 V CA 1.571 63.908 62.300 0.062 0.000 1.025 1087 V CB -1.490 30.356 31.823 0.038 0.000 0.656 1087 V HN -0.026 nan 8.190 nan 0.000 0.451 1088 Y N 1.728 122.036 120.300 0.013 0.000 2.081 1088 Y HA -0.321 4.181 4.550 -0.081 0.000 0.280 1088 Y C 2.414 178.328 175.900 0.023 0.000 1.163 1088 Y CA 2.260 60.372 58.100 0.019 0.000 1.135 1088 Y CB -0.385 38.075 38.460 0.001 0.000 0.970 1088 Y HN 0.340 nan 8.280 nan 0.000 0.498 1089 D N -0.682 119.819 120.400 0.167 0.000 2.221 1089 D HA -0.170 4.422 4.640 -0.080 0.000 0.204 1089 D C 2.219 178.519 176.300 -0.001 0.000 0.982 1089 D CA 1.657 55.704 54.000 0.078 0.000 0.857 1089 D CB -0.490 40.366 40.800 0.094 0.000 0.934 1089 D HN 0.510 nan 8.370 nan 0.000 0.475 1090 S N -0.757 114.948 115.700 0.009 0.000 2.593 1090 S HA 0.099 4.520 4.470 -0.080 0.000 0.217 1090 S C 0.819 175.436 174.600 0.028 0.000 0.966 1090 S CA -0.280 57.932 58.200 0.019 0.000 0.914 1090 S CB 0.017 63.236 63.200 0.031 0.000 0.776 1090 S HN 0.070 nan 8.310 nan 0.000 0.523 1091 L N 2.813 124.012 121.223 -0.040 0.000 2.331 1091 L HA 0.458 4.750 4.340 -0.080 0.000 0.275 1091 L C 0.231 177.024 176.870 -0.128 0.000 1.022 1091 L CA -1.109 53.706 54.840 -0.041 0.000 0.812 1091 L CB 1.097 43.121 42.059 -0.058 0.000 1.257 1091 L HN 0.310 nan 8.230 nan 0.000 0.435 1092 D N 1.472 121.796 120.400 -0.126 0.000 2.369 1092 D HA 0.039 4.631 4.640 -0.080 0.000 0.241 1092 D C 0.892 177.067 176.300 -0.209 0.000 1.271 1092 D CA -0.037 53.860 54.000 -0.171 0.000 0.942 1092 D CB 1.194 41.855 40.800 -0.231 0.000 1.129 1092 D HN 0.580 nan 8.370 nan 0.000 0.476 1093 A N 0.668 123.382 122.820 -0.178 0.000 1.873 1093 A HA -0.170 4.101 4.320 -0.080 0.000 0.218 1093 A C 2.453 179.939 177.584 -0.163 0.000 1.193 1093 A CA 2.233 54.197 52.037 -0.123 0.000 0.629 1093 A CB -1.108 17.869 19.000 -0.039 0.000 0.826 1093 A HN 0.455 nan 8.150 nan 0.000 0.447 1094 V N -0.081 119.641 119.914 -0.320 0.000 2.295 1094 V HA -0.266 3.805 4.120 -0.080 0.000 0.246 1094 V C 2.619 178.397 176.094 -0.526 0.000 1.049 1094 V CA 2.279 64.220 62.300 -0.598 0.000 1.024 1094 V CB -0.862 30.393 31.823 -0.948 0.000 0.648 1094 V HN 0.519 nan 8.190 nan 0.000 0.447 1095 R N -0.389 119.870 120.500 -0.402 0.000 2.148 1095 R HA -0.057 4.235 4.340 -0.080 0.000 0.227 1095 R C 2.508 178.735 176.300 -0.121 0.000 1.103 1095 R CA 0.973 56.917 56.100 -0.259 0.000 0.983 1095 R CB -0.267 29.948 30.300 -0.142 0.000 0.874 1095 R HN 0.491 nan 8.270 nan 0.000 0.451 1096 R N 0.341 120.744 120.500 -0.161 0.000 2.092 1096 R HA -0.028 4.264 4.340 -0.080 0.000 0.231 1096 R C 2.326 178.611 176.300 -0.024 0.000 1.119 1096 R CA 1.223 57.248 56.100 -0.124 0.000 0.970 1096 R CB -0.290 29.822 30.300 -0.313 0.000 0.864 1096 R HN 0.168 nan 8.270 nan 0.000 0.440 1097 A N 1.375 124.162 122.820 -0.056 0.000 1.908 1097 A HA -0.168 4.104 4.320 -0.080 0.000 0.218 1097 A C 2.369 179.904 177.584 -0.083 0.000 1.181 1097 A CA 1.812 53.861 52.037 0.020 0.000 0.627 1097 A CB -0.708 18.399 19.000 0.179 0.000 0.818 1097 A HN 0.402 nan 8.150 nan 0.000 0.445 1098 A N -0.999 121.645 122.820 -0.293 0.000 1.972 1098 A HA -0.011 4.261 4.320 -0.080 0.000 0.219 1098 A C 2.111 179.494 177.584 -0.336 0.000 1.169 1098 A CA 1.717 53.420 52.037 -0.557 0.000 0.635 1098 A CB -0.460 17.726 19.000 -1.357 0.000 0.810 1098 A HN 0.578 nan 8.150 nan 0.000 0.446 1099 L N -0.409 120.802 121.223 -0.020 0.000 2.095 1099 L HA 0.070 4.362 4.340 -0.080 0.000 0.204 1099 L C 2.174 179.044 176.870 -0.000 0.000 1.080 1099 L CA 1.386 56.321 54.840 0.159 0.000 0.759 1099 L CB -0.299 41.910 42.059 0.249 0.000 0.914 1099 L HN 0.405 nan 8.230 nan 0.000 0.439 1100 I N -0.198 120.350 120.570 -0.038 0.000 2.394 1100 I HA -0.265 3.857 4.170 -0.080 0.000 0.251 1100 I C 2.264 178.214 176.117 -0.278 0.000 1.136 1100 I CA 1.068 62.237 61.300 -0.219 0.000 1.425 1100 I CB -0.539 37.348 38.000 -0.188 0.000 1.079 1100 I HN 0.429 nan 8.210 nan 0.000 0.425 1101 N N 1.662 120.336 118.700 -0.042 0.000 2.084 1101 N HA -0.194 4.498 4.740 -0.080 0.000 0.190 1101 N C 1.921 177.489 175.510 0.096 0.000 1.030 1101 N CA 1.801 54.918 53.050 0.112 0.000 0.849 1101 N CB -0.109 38.441 38.487 0.105 0.000 1.012 1101 N HN 0.279 nan 8.380 nan 0.000 0.423 1102 M N -0.157 119.441 119.600 -0.004 0.000 2.117 1102 M HA -0.114 4.317 4.480 -0.080 0.000 0.262 1102 M C 2.206 178.462 176.300 -0.072 0.000 1.065 1102 M CA 1.037 56.283 55.300 -0.091 0.000 1.114 1102 M CB -0.157 32.279 32.600 -0.273 0.000 1.361 1102 M HN -0.058 nan 8.290 nan 0.000 0.408 1103 V N -0.154 119.696 119.914 -0.107 0.000 2.407 1103 V HA -0.253 3.819 4.120 -0.080 0.000 0.248 1103 V C 2.046 178.143 176.094 0.006 0.000 1.055 1103 V CA 1.857 64.092 62.300 -0.108 0.000 1.049 1103 V CB -0.725 30.970 31.823 -0.213 0.000 0.662 1103 V HN 0.393 nan 8.190 nan 0.000 0.455 1104 F N -0.127 119.847 119.950 0.040 0.000 2.234 1104 F HA -0.228 4.252 4.527 -0.079 0.000 0.299 1104 F C 2.637 178.473 175.800 0.059 0.000 1.087 1104 F CA 1.577 59.612 58.000 0.059 0.000 1.340 1104 F CB -0.030 39.028 39.000 0.097 0.000 1.031 1104 F HN 0.197 nan 8.300 nan 0.000 0.500 1105 Q N 1.152 121.103 119.800 0.252 0.000 1.994 1105 Q HA -0.176 4.115 4.340 -0.080 0.000 0.198 1105 Q C 1.825 177.910 176.000 0.142 0.000 0.976 1105 Q CA 1.738 57.657 55.803 0.193 0.000 0.828 1105 Q CB -0.020 28.857 28.738 0.231 0.000 0.894 1105 Q HN 0.468 nan 8.270 nan 0.000 0.432 1106 M N -1.616 118.043 119.600 0.097 0.000 2.496 1106 M HA 0.443 4.875 4.480 -0.080 0.000 0.330 1106 M C 0.273 176.606 176.300 0.055 0.000 1.133 1106 M CA 0.266 55.611 55.300 0.076 0.000 0.964 1106 M CB 1.174 33.818 32.600 0.074 0.000 1.401 1106 M HN 0.210 nan 8.290 nan 0.000 0.520 1107 G N 2.073 110.909 108.800 0.060 0.000 2.819 1107 G HA2 -0.251 3.661 3.960 -0.080 0.000 0.682 1107 G HA3 -0.251 3.661 3.960 -0.080 0.000 0.682 1107 G C -0.022 174.889 174.900 0.018 0.000 1.481 1107 G CA 0.235 45.363 45.100 0.047 0.000 0.904 1107 G HN 0.672 nan 8.290 nan 0.000 0.563 1108 E N -0.597 119.606 120.200 0.006 0.000 2.077 1108 E HA -0.128 4.174 4.350 -0.080 0.000 0.193 1108 E C 2.621 179.222 176.600 0.002 0.000 0.989 1108 E CA 1.938 58.331 56.400 -0.012 0.000 0.800 1108 E CB -0.200 29.487 29.700 -0.022 0.000 0.746 1108 E HN 0.639 nan 8.360 nan 0.000 0.452 1109 T N -0.103 114.456 114.554 0.008 0.000 2.684 1109 T HA -0.162 4.140 4.350 -0.080 0.000 0.267 1109 T C 1.728 176.438 174.700 0.016 0.000 1.036 1109 T CA 1.278 63.383 62.100 0.009 0.000 1.148 1109 T CB -0.754 68.119 68.868 0.008 0.000 0.863 1109 T HN 0.417 nan 8.240 nan 0.000 0.436 1110 G N 1.231 110.048 108.800 0.027 0.000 2.459 1110 G HA2 -0.190 3.722 3.960 -0.080 0.000 0.217 1110 G HA3 -0.190 3.722 3.960 -0.080 0.000 0.217 1110 G C 1.671 176.646 174.900 0.126 0.000 1.183 1110 G CA 1.123 46.252 45.100 0.047 0.000 0.776 1110 G HN 0.476 nan 8.290 nan 0.000 0.552 1111 V N 1.406 121.388 119.914 0.114 0.000 2.759 1111 V HA 0.007 4.079 4.120 -0.080 0.000 0.256 1111 V C 3.137 179.319 176.094 0.146 0.000 1.080 1111 V CA 1.523 63.909 62.300 0.143 0.000 1.101 1111 V CB -0.675 31.134 31.823 -0.023 0.000 0.698 1111 V HN 0.461 nan 8.190 nan 0.000 0.477 1112 A N 0.806 123.671 122.820 0.074 0.000 2.119 1112 A HA 0.081 4.353 4.320 -0.080 0.000 0.217 1112 A C 2.198 179.810 177.584 0.046 0.000 1.153 1112 A CA 1.353 53.417 52.037 0.045 0.000 0.692 1112 A CB -0.619 18.390 19.000 0.015 0.000 0.799 1112 A HN 0.544 nan 8.150 nan 0.000 0.458 1113 G N -2.018 106.808 108.800 0.043 0.000 2.985 1113 G HA2 0.232 4.144 3.960 -0.080 0.000 0.209 1113 G HA3 0.232 4.144 3.960 -0.080 0.000 0.209 1113 G C 0.234 175.074 174.900 -0.100 0.000 1.165 1113 G CA -0.199 44.873 45.100 -0.046 0.000 0.776 1113 G HN 0.382 nan 8.290 nan 0.000 0.541 1114 F N 2.039 121.959 119.950 -0.050 0.000 2.669 1114 F HA 0.219 4.695 4.527 -0.086 0.000 0.353 1114 F C 1.889 177.662 175.800 -0.046 0.000 1.192 1114 F CA -0.277 57.696 58.000 -0.046 0.000 1.317 1114 F CB 0.214 39.169 39.000 -0.074 0.000 1.652 1114 F HN -0.071 nan 8.300 nan 0.000 0.608 1115 T N -0.685 113.908 114.554 0.065 0.000 2.684 1115 T HA -0.208 4.094 4.350 -0.080 0.000 0.267 1115 T C 2.025 176.739 174.700 0.024 0.000 1.036 1115 T CA 1.472 63.592 62.100 0.033 0.000 1.148 1115 T CB -0.078 68.792 68.868 0.003 0.000 0.863 1115 T HN 0.321 nan 8.240 nan 0.000 0.436 1116 N N 0.752 119.467 118.700 0.025 0.000 2.142 1116 N HA 0.019 4.711 4.740 -0.080 0.000 0.186 1116 N C 2.213 177.727 175.510 0.007 0.000 1.023 1116 N CA 0.838 53.894 53.050 0.010 0.000 0.852 1116 N CB -0.514 37.979 38.487 0.010 0.000 0.998 1116 N HN 0.199 nan 8.380 nan 0.000 0.424 1117 S N 0.735 116.461 115.700 0.043 0.000 2.368 1117 S HA 0.046 4.468 4.470 -0.080 0.000 0.225 1117 S C 2.026 176.585 174.600 -0.070 0.000 1.030 1117 S CA 0.606 58.811 58.200 0.009 0.000 0.999 1117 S CB -0.134 63.112 63.200 0.078 0.000 0.844 1117 S HN 0.235 nan 8.310 nan 0.000 0.459 1118 L N 1.368 122.562 121.223 -0.048 0.000 2.027 1118 L HA -0.149 4.142 4.340 -0.080 0.000 0.206 1118 L C 2.672 179.497 176.870 -0.075 0.000 1.074 1118 L CA 1.663 56.452 54.840 -0.085 0.000 0.745 1118 L CB -0.623 41.415 42.059 -0.035 0.000 0.898 1118 L HN 0.367 nan 8.230 nan 0.000 0.433 1119 R N 0.538 121.007 120.500 -0.052 0.000 2.103 1119 R HA -0.208 4.083 4.340 -0.080 0.000 0.242 1119 R C 2.103 178.346 176.300 -0.095 0.000 1.142 1119 R CA 1.781 57.844 56.100 -0.060 0.000 0.960 1119 R CB -0.581 29.692 30.300 -0.045 0.000 0.858 1119 R HN 0.251 nan 8.270 nan 0.000 0.439 1120 M N 0.871 120.411 119.600 -0.100 0.000 2.080 1120 M HA -0.125 4.307 4.480 -0.080 0.000 0.260 1120 M C 2.315 178.492 176.300 -0.204 0.000 1.068 1120 M CA 1.781 56.998 55.300 -0.138 0.000 1.109 1120 M CB -0.331 32.208 32.600 -0.102 0.000 1.342 1120 M HN 0.177 nan 8.290 nan 0.000 0.405 1121 L N -0.512 120.612 121.223 -0.164 0.000 2.131 1121 L HA -0.226 4.066 4.340 -0.080 0.000 0.210 1121 L C 2.623 179.416 176.870 -0.129 0.000 1.092 1121 L CA 1.282 56.051 54.840 -0.118 0.000 0.759 1121 L CB -0.703 41.270 42.059 -0.143 0.000 0.903 1121 L HN 0.432 nan 8.230 nan 0.000 0.435 1122 Q N -0.032 119.700 119.800 -0.113 0.000 2.119 1122 Q HA -0.220 4.072 4.340 -0.080 0.000 0.201 1122 Q C 2.175 178.090 176.000 -0.142 0.000 0.972 1122 Q CA 1.297 57.050 55.803 -0.084 0.000 0.847 1122 Q CB 0.094 28.799 28.738 -0.055 0.000 0.903 1122 Q HN 0.540 nan 8.270 nan 0.000 0.433 1123 Q N 0.130 119.811 119.800 -0.197 0.000 2.369 1123 Q HA -0.060 4.232 4.340 -0.080 0.000 0.206 1123 Q C -0.384 175.396 176.000 -0.367 0.000 0.963 1123 Q CA 0.610 56.279 55.803 -0.224 0.000 0.894 1123 Q CB 0.271 28.889 28.738 -0.199 0.000 0.965 1123 Q HN 0.208 nan 8.270 nan 0.000 0.475 1124 K N 0.892 120.907 120.400 -0.641 0.000 3.239 1124 K HA -0.148 4.124 4.320 -0.080 0.000 0.270 1124 K C -0.918 174.946 176.600 -1.227 0.000 1.083 1124 K CA 0.411 55.918 56.287 -1.299 0.000 0.782 1124 K CB -1.331 30.781 32.500 -0.646 0.000 1.290 1124 K HN 0.340 nan 8.250 nan 0.000 0.474 1125 R N -0.503 119.415 120.500 -0.970 0.000 2.407 1125 R HA 0.215 4.507 4.340 -0.080 0.000 0.298 1125 R C -0.002 176.059 176.300 -0.398 0.000 1.166 1125 R CA -0.835 54.913 56.100 -0.586 0.000 1.006 1125 R CB 0.076 30.197 30.300 -0.298 0.000 1.145 1125 R HN 0.227 nan 8.270 nan 0.000 0.538 1126 W N 1.418 122.710 121.300 -0.014 0.000 2.481 1126 W HA 0.035 4.647 4.660 -0.081 0.000 0.293 1126 W C 1.277 177.798 176.519 0.003 0.000 1.201 1126 W CA 0.352 57.694 57.345 -0.005 0.000 1.328 1126 W CB 0.101 29.571 29.460 0.016 0.000 1.112 1126 W HN 0.416 nan 8.180 nan 0.000 0.546 1127 D N 0.878 121.394 120.400 0.194 0.000 2.117 1127 D HA -0.186 4.406 4.640 -0.080 0.000 0.198 1127 D C 1.942 178.281 176.300 0.066 0.000 0.982 1127 D CA 1.860 55.932 54.000 0.121 0.000 0.828 1127 D CB -0.467 40.386 40.800 0.088 0.000 0.967 1127 D HN 0.490 nan 8.370 nan 0.000 0.464 1128 E N 1.190 121.407 120.200 0.028 0.000 2.107 1128 E HA -0.047 4.255 4.350 -0.080 0.000 0.191 1128 E C 2.130 178.736 176.600 0.010 0.000 0.982 1128 E CA 0.955 57.358 56.400 0.005 0.000 0.809 1128 E CB -0.198 29.490 29.700 -0.020 0.000 0.756 1128 E HN 0.100 nan 8.360 nan 0.000 0.459 1129 A N 1.866 124.692 122.820 0.009 0.000 1.940 1129 A HA -0.033 4.239 4.320 -0.080 0.000 0.219 1129 A C 2.477 180.091 177.584 0.051 0.000 1.176 1129 A CA 1.875 53.916 52.037 0.007 0.000 0.631 1129 A CB -0.684 18.302 19.000 -0.022 0.000 0.814 1129 A HN 0.420 nan 8.150 nan 0.000 0.446 1130 A N -0.899 121.979 122.820 0.096 0.000 2.016 1130 A HA 0.170 4.442 4.320 -0.080 0.000 0.217 1130 A C 2.130 179.748 177.584 0.056 0.000 1.162 1130 A CA 1.367 53.475 52.037 0.119 0.000 0.662 1130 A CB -0.533 18.556 19.000 0.149 0.000 0.812 1130 A HN 0.323 nan 8.150 nan 0.000 0.450 1131 V N 0.436 120.368 119.914 0.031 0.000 2.379 1131 V HA -0.201 3.871 4.120 -0.080 0.000 0.245 1131 V C 2.360 178.442 176.094 -0.020 0.000 1.044 1131 V CA 2.208 64.503 62.300 -0.009 0.000 1.036 1131 V CB -0.893 30.927 31.823 -0.004 0.000 0.664 1131 V HN 0.642 nan 8.190 nan 0.000 0.453 1132 N N 0.127 118.835 118.700 0.014 0.000 2.106 1132 N HA -0.078 4.614 4.740 -0.080 0.000 0.188 1132 N C 1.683 177.244 175.510 0.084 0.000 1.029 1132 N CA 1.259 54.331 53.050 0.036 0.000 0.848 1132 N CB -0.277 38.235 38.487 0.042 0.000 1.007 1132 N HN 0.369 nan 8.380 nan 0.000 0.423 1133 L N -0.152 121.147 121.223 0.126 0.000 2.127 1133 L HA -0.122 4.170 4.340 -0.080 0.000 0.211 1133 L C 2.011 179.000 176.870 0.200 0.000 1.089 1133 L CA 1.191 56.192 54.840 0.267 0.000 0.757 1133 L CB -0.442 41.810 42.059 0.322 0.000 0.899 1133 L HN 0.200 nan 8.230 nan 0.000 0.434 1134 A N -0.604 122.152 122.820 -0.106 0.000 2.209 1134 A HA -0.095 4.177 4.320 -0.080 0.000 0.212 1134 A C 1.979 179.257 177.584 -0.511 0.000 1.158 1134 A CA 0.878 52.485 52.037 -0.717 0.000 0.742 1134 A CB -0.243 18.256 19.000 -0.834 0.000 0.790 1134 A HN 0.335 nan 8.150 nan 0.000 0.472 1135 K N 0.592 120.915 120.400 -0.129 0.000 2.374 1135 K HA 0.086 4.357 4.320 -0.080 0.000 0.196 1135 K C 0.367 177.016 176.600 0.081 0.000 1.023 1135 K CA 0.367 56.636 56.287 -0.030 0.000 1.103 1135 K CB 0.369 32.863 32.500 -0.010 0.000 0.848 1135 K HN 0.553 nan 8.250 nan 0.000 0.528 1136 S N -0.355 115.461 115.700 0.195 0.000 2.672 1136 S HA 0.291 4.713 4.470 -0.080 0.000 0.276 1136 S C 0.881 175.653 174.600 0.287 0.000 1.207 1136 S CA -0.825 57.543 58.200 0.279 0.000 1.002 1136 S CB 1.917 65.438 63.200 0.534 0.000 0.998 1136 S HN 0.017 nan 8.310 nan 0.000 0.542 1137 R N -0.275 120.364 120.500 0.232 0.000 2.091 1137 R HA -0.057 4.235 4.340 -0.080 0.000 0.238 1137 R C 1.937 178.405 176.300 0.281 0.000 1.136 1137 R CA 1.975 58.196 56.100 0.201 0.000 0.959 1137 R CB -0.568 29.813 30.300 0.136 0.000 0.856 1137 R HN 0.883 nan 8.270 nan 0.000 0.437 1138 W N 0.089 121.509 121.300 0.201 0.000 2.321 1138 W HA -0.301 4.302 4.660 -0.094 0.000 0.306 1138 W C 1.848 178.491 176.519 0.207 0.000 1.217 1138 W CA 1.575 59.056 57.345 0.228 0.000 1.257 1138 W CB -0.704 28.978 29.460 0.370 0.000 1.145 1138 W HN 0.194 nan 8.180 nan 0.000 0.509 1139 Y N 1.353 121.584 120.300 -0.116 0.000 2.220 1139 Y HA -0.198 4.306 4.550 -0.078 0.000 0.291 1139 Y C 2.464 178.251 175.900 -0.187 0.000 1.129 1139 Y CA 2.427 60.308 58.100 -0.364 0.000 1.161 1139 Y CB -0.961 37.385 38.460 -0.191 0.000 0.997 1139 Y HN 0.042 nan 8.280 nan 0.000 0.522 1140 N N -0.145 118.632 118.700 0.127 0.000 2.244 1140 N HA -0.175 4.517 4.740 -0.080 0.000 0.183 1140 N C 1.633 177.119 175.510 -0.041 0.000 1.016 1140 N CA 1.693 54.780 53.050 0.061 0.000 0.866 1140 N CB -0.069 38.482 38.487 0.106 0.000 0.980 1140 N HN 0.524 nan 8.380 nan 0.000 0.430 1141 Q N -1.469 118.313 119.800 -0.031 0.000 2.089 1141 Q HA 0.049 4.341 4.340 -0.080 0.000 0.195 1141 Q C 0.143 176.086 176.000 -0.096 0.000 0.963 1141 Q CA 1.375 57.161 55.803 -0.029 0.000 0.834 1141 Q CB 0.296 29.061 28.738 0.045 0.000 0.906 1141 Q HN 0.414 nan 8.270 nan 0.000 0.452 1142 T N -1.827 112.614 114.554 -0.189 0.000 3.427 1142 T HA 0.266 4.568 4.350 -0.080 0.000 0.306 1142 T C -2.353 172.081 174.700 -0.442 0.000 1.733 1142 T CA -1.695 60.264 62.100 -0.235 0.000 1.599 1142 T CB 0.945 69.739 68.868 -0.124 0.000 0.964 1142 T HN -0.047 nan 8.240 nan 0.000 0.701 1143 P HA -0.081 nan 4.420 nan 0.000 0.216 1143 P C 1.233 178.194 177.300 -0.566 0.000 1.153 1143 P CA 0.988 63.618 63.100 -0.783 0.000 0.848 1143 P CB 0.239 31.563 31.700 -0.627 0.000 0.787 1144 N N 0.435 118.936 118.700 -0.333 0.000 2.025 1144 N HA -0.183 4.508 4.740 -0.080 0.000 0.194 1144 N C 2.044 177.434 175.510 -0.201 0.000 1.044 1144 N CA 1.282 54.199 53.050 -0.223 0.000 0.851 1144 N CB -0.994 37.404 38.487 -0.147 0.000 1.036 1144 N HN 0.195 nan 8.380 nan 0.000 0.422 1145 R N 0.802 121.202 120.500 -0.167 0.000 2.081 1145 R HA -0.016 4.276 4.340 -0.080 0.000 0.235 1145 R C 1.984 178.242 176.300 -0.071 0.000 1.131 1145 R CA 1.552 57.614 56.100 -0.064 0.000 0.960 1145 R CB -0.229 30.081 30.300 0.017 0.000 0.856 1145 R HN 0.221 nan 8.270 nan 0.000 0.436 1146 A N 0.934 123.566 122.820 -0.314 0.000 1.968 1146 A HA -0.126 4.146 4.320 -0.080 0.000 0.217 1146 A C 1.974 179.436 177.584 -0.203 0.000 1.169 1146 A CA 1.425 53.152 52.037 -0.516 0.000 0.638 1146 A CB -0.350 17.704 19.000 -1.576 0.000 0.812 1146 A HN 0.293 nan 8.150 nan 0.000 0.446 1147 K N 0.721 120.987 120.400 -0.223 0.000 2.009 1147 K HA -0.149 4.122 4.320 -0.080 0.000 0.210 1147 K C 2.047 178.632 176.600 -0.026 0.000 1.049 1147 K CA 1.981 58.243 56.287 -0.042 0.000 0.929 1147 K CB -0.462 31.976 32.500 -0.103 0.000 0.714 1147 K HN 0.483 nan 8.250 nan 0.000 0.440 1148 R N -0.118 120.321 120.500 -0.102 0.000 2.082 1148 R HA -0.112 4.180 4.340 -0.080 0.000 0.234 1148 R C 2.334 178.626 176.300 -0.012 0.000 1.136 1148 R CA 1.780 57.769 56.100 -0.184 0.000 0.935 1148 R CB -0.960 29.082 30.300 -0.431 0.000 0.842 1148 R HN 0.065 nan 8.270 nan 0.000 0.430 1149 V N 1.556 121.546 119.914 0.127 0.000 2.324 1149 V HA -0.272 3.799 4.120 -0.080 0.000 0.250 1149 V C 2.287 178.427 176.094 0.076 0.000 1.060 1149 V CA 1.898 64.283 62.300 0.142 0.000 1.042 1149 V CB -0.418 31.606 31.823 0.335 0.000 0.650 1149 V HN 0.284 nan 8.190 nan 0.000 0.450 1150 I N -0.613 120.094 120.570 0.230 0.000 2.353 1150 I HA -0.191 3.931 4.170 -0.080 0.000 0.248 1150 I C 2.500 178.722 176.117 0.176 0.000 1.119 1150 I CA 1.574 63.062 61.300 0.312 0.000 1.417 1150 I CB -0.511 37.664 38.000 0.291 0.000 1.078 1150 I HN 0.262 nan 8.210 nan 0.000 0.421 1151 T N 0.076 114.677 114.554 0.079 0.000 2.759 1151 T HA -0.175 4.127 4.350 -0.080 0.000 0.269 1151 T C 1.875 176.554 174.700 -0.034 0.000 1.042 1151 T CA 2.064 64.176 62.100 0.020 0.000 1.140 1151 T CB -0.267 68.589 68.868 -0.020 0.000 0.864 1151 T HN 0.398 nan 8.240 nan 0.000 0.455 1152 T N 1.378 115.885 114.554 -0.079 0.000 2.812 1152 T HA 0.029 4.331 4.350 -0.080 0.000 0.264 1152 T C 1.538 176.086 174.700 -0.254 0.000 1.042 1152 T CA 0.725 62.688 62.100 -0.228 0.000 1.140 1152 T CB -0.406 68.276 68.868 -0.310 0.000 0.870 1152 T HN 0.248 nan 8.240 nan 0.000 0.445 1153 F N 1.548 121.427 119.950 -0.118 0.000 2.216 1153 F HA 0.074 4.552 4.527 -0.082 0.000 0.300 1153 F C 2.495 178.195 175.800 -0.167 0.000 1.085 1153 F CA 0.501 58.425 58.000 -0.126 0.000 1.326 1153 F CB -0.424 38.595 39.000 0.032 0.000 1.027 1153 F HN 0.017 nan 8.300 nan 0.000 0.497 1154 R N -0.161 120.399 120.500 0.100 0.000 2.055 1154 R HA -0.104 4.188 4.340 -0.080 0.000 0.226 1154 R C 2.181 178.412 176.300 -0.115 0.000 1.135 1154 R CA 1.989 58.139 56.100 0.083 0.000 0.959 1154 R CB -0.371 29.994 30.300 0.108 0.000 0.854 1154 R HN 0.350 nan 8.270 nan 0.000 0.431 1155 T N -4.239 110.220 114.554 -0.159 0.000 3.015 1155 T HA 0.218 4.520 4.350 -0.080 0.000 0.250 1155 T C 1.334 175.864 174.700 -0.283 0.000 1.057 1155 T CA 0.555 62.550 62.100 -0.176 0.000 1.066 1155 T CB 0.704 69.519 68.868 -0.089 0.000 0.959 1155 T HN 0.432 nan 8.240 nan 0.000 0.488 1156 G N 1.767 110.334 108.800 -0.388 0.000 2.168 1156 G HA2 -0.254 3.658 3.960 -0.080 0.000 0.263 1156 G HA3 -0.254 3.658 3.960 -0.080 0.000 0.263 1156 G C 0.291 174.919 174.900 -0.454 0.000 0.977 1156 G CA 0.806 45.617 45.100 -0.480 0.000 0.659 1156 G HN 1.223 nan 8.290 nan 0.000 0.533 1157 T N -3.736 110.631 114.554 -0.312 0.000 2.949 1157 T HA 0.547 4.849 4.350 -0.080 0.000 0.287 1157 T C 0.427 174.959 174.700 -0.279 0.000 1.034 1157 T CA -0.470 61.499 62.100 -0.219 0.000 1.018 1157 T CB 1.350 70.211 68.868 -0.012 0.000 1.135 1157 T HN 0.315 nan 8.240 nan 0.000 0.532 1158 W N 0.407 121.734 121.300 0.045 0.000 3.433 1158 W HA 0.273 4.882 4.660 -0.084 0.000 0.376 1158 W C 0.964 177.539 176.519 0.092 0.000 1.160 1158 W CA -0.647 56.752 57.345 0.091 0.000 1.832 1158 W CB -0.352 29.152 29.460 0.074 0.000 1.011 1158 W HN 0.722 nan 8.180 nan 0.000 0.766 1159 D N 0.775 121.279 120.400 0.174 0.000 2.221 1159 D HA -0.175 4.417 4.640 -0.080 0.000 0.204 1159 D C 2.110 178.453 176.300 0.071 0.000 0.982 1159 D CA 1.492 55.557 54.000 0.109 0.000 0.857 1159 D CB -0.138 40.691 40.800 0.049 0.000 0.934 1159 D HN 0.286 nan 8.370 nan 0.000 0.475 1160 A N -0.816 122.022 122.820 0.029 0.000 2.169 1160 A HA 0.013 4.285 4.320 -0.080 0.000 0.212 1160 A C 0.427 177.844 177.584 -0.278 0.000 1.153 1160 A CA 0.540 52.482 52.037 -0.159 0.000 0.756 1160 A CB 0.008 18.836 19.000 -0.286 0.000 0.813 1160 A HN 0.103 nan 8.150 nan 0.000 0.471 1201 S N 0.000 115.750 115.700 0.084 0.000 2.498 1201 S HA 0.000 4.422 4.470 -0.080 0.000 0.327 1201 S CA 0.000 58.254 58.200 0.090 0.000 1.107 1201 S CB 0.000 63.276 63.200 0.126 0.000 0.593 1201 S HN 0.000 nan 8.310 nan 0.000 0.517