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 1avc_1_A DATA FIRST_RESID 10 DATA SEQUENCE YRGSIRDFPD FNPSQDAETL YNAMKGFGSD KEAIINLITS RSNKQRQEIC DATA SEQUENCE QNYKSLYGKD LIADLKYELT GKFERLIVGL MRPPAYADAK EIKDAISGIG DATA SEQUENCE TDEKCLIEIL ASRTNEQIHQ LVAAYKDAYE RDLEADITGD TSGHFRKMLV DATA SEQUENCE VLLQGTREED DVVSEDLVQQ DVQDLYEAGE LKWGTDEAQF IYILGNRSKQ DATA SEQUENCE HLRLVFDEYL KTTGKPIEAS IRGELSGDFE KLMLAVVKCI RSTAEYFAER DATA SEQUENCE LFKAMKGLGT RDNTLIRIMV SRSELDMLDI REIFRTKYEK SLYSMIKNDT DATA SEQUENCE SGEYKKTLLK LCGGXXXXXX QFFPEAAQVA YQMWELSAVA RVELKGTVRP DATA SEQUENCE AGDFNPDADA KALRKAMKGL GTDEDTIIDI ITHRSNAQRQ QIRQTFKSHF DATA SEQUENCE GRDLMADLKS ELSGDLARLI LGLMMPPAHY DAKQLKKAME GAGTDEKALI DATA SEQUENCE EILATRTNAE IQAINKAYKE DYHKTLEDAL SSDTSGHFKR ILISLATGNR DATA SEQUENCE EEGGEDRERA REDAQVAAEI LXXXXXXXXX XXXXXTRFMM ILCTRSYPDL DATA SEQUENCE RRVFQEFVKM TNYDVEHTIK KEMSGDVRDV FVAIVQSVKN KPLFFADKLY DATA SEQUENCE KSMKGAGTEE KTLTRIMVSR SEIDLLNIRR EFIEKYDKSL HQAIEGDTSG DATA SEQUENCE HFLKALLAIC GG 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 10 Y HA 0.000 nan 4.550 nan 0.000 0.201 10 Y C 0.000 175.840 175.900 -0.100 0.000 1.272 10 Y CA 0.000 58.077 58.100 -0.038 0.000 1.940 10 Y CB 0.000 38.443 38.460 -0.029 0.000 1.050 11 R N 2.989 123.170 120.500 -0.532 0.000 2.388 11 R HA 0.316 4.687 4.340 0.052 0.000 0.247 11 R C 0.688 176.642 176.300 -0.576 0.000 0.931 11 R CA 0.439 56.254 56.100 -0.474 0.000 1.082 11 R CB 0.214 30.334 30.300 -0.299 0.000 1.135 11 R HN 0.671 nan 8.270 nan 0.000 0.525 12 G N -0.066 108.051 108.800 -1.139 0.000 2.504 12 G HA2 0.220 4.211 3.960 0.052 0.000 0.288 12 G HA3 0.220 4.211 3.960 0.052 0.000 0.288 12 G C 0.815 175.577 174.900 -0.229 0.000 1.182 12 G CA -0.192 44.463 45.100 -0.743 0.000 0.894 12 G HN 0.175 nan 8.290 nan 0.000 0.521 13 S N -0.055 115.608 115.700 -0.060 0.000 2.421 13 S HA 0.177 4.678 4.470 0.052 0.000 0.224 13 S C 0.887 175.545 174.600 0.096 0.000 1.035 13 S CA 0.153 58.360 58.200 0.012 0.000 0.953 13 S CB -0.045 63.146 63.200 -0.015 0.000 0.810 13 S HN 0.399 nan 8.310 nan 0.000 0.497 14 I N 3.162 123.808 120.570 0.128 0.000 2.354 14 I HA 0.469 4.671 4.170 0.052 0.000 0.292 14 I C -0.090 176.137 176.117 0.183 0.000 0.989 14 I CA -0.862 60.509 61.300 0.119 0.000 1.188 14 I CB 1.539 39.574 38.000 0.057 0.000 1.342 14 I HN 0.279 nan 8.210 nan 0.000 0.457 15 R N 2.873 123.415 120.500 0.069 0.000 2.919 15 R HA 0.555 4.926 4.340 0.052 0.000 0.260 15 R C -1.249 174.994 176.300 -0.094 0.000 1.067 15 R CA -1.183 54.843 56.100 -0.125 0.000 1.003 15 R CB 0.749 30.880 30.300 -0.281 0.000 1.192 15 R HN 0.272 nan 8.270 nan 0.000 0.488 16 D N 1.109 121.411 120.400 -0.164 0.000 2.583 16 D HA -0.089 4.582 4.640 0.052 0.000 0.232 16 D C -0.829 175.457 176.300 -0.023 0.000 1.128 16 D CA 0.529 54.458 54.000 -0.119 0.000 0.859 16 D CB 0.178 40.889 40.800 -0.148 0.000 1.169 16 D HN 0.251 nan 8.370 nan 0.000 0.481 17 F N 5.377 125.229 119.950 -0.163 0.000 2.502 17 F HA 0.220 4.779 4.527 0.052 0.000 0.371 17 F C -1.883 173.912 175.800 -0.008 0.000 1.083 17 F CA -2.623 55.334 58.000 -0.071 0.000 1.174 17 F CB 0.246 39.218 39.000 -0.046 0.000 1.096 17 F HN 0.185 nan 8.300 nan 0.000 0.545 18 P HA 0.016 nan 4.420 nan 0.000 0.262 18 P C -0.708 176.257 177.300 -0.559 0.000 1.199 18 P CA 0.250 63.101 63.100 -0.415 0.000 0.763 18 P CB 0.431 31.946 31.700 -0.309 0.000 0.790 19 D N 2.867 123.130 120.400 -0.229 0.000 3.508 19 D HA -0.216 4.455 4.640 0.052 0.000 0.232 19 D C -1.413 174.844 176.300 -0.072 0.000 1.131 19 D CA 0.602 54.526 54.000 -0.127 0.000 1.040 19 D CB -1.534 39.176 40.800 -0.151 0.000 0.879 19 D HN 0.294 nan 8.370 nan 0.000 0.407 20 F N 1.622 121.537 119.950 -0.059 0.000 2.495 20 F HA 0.653 5.211 4.527 0.053 0.000 0.327 20 F C -0.708 175.166 175.800 0.124 0.000 1.103 20 F CA -1.326 56.778 58.000 0.173 0.000 0.949 20 F CB 1.256 40.475 39.000 0.367 0.000 1.142 20 F HN 0.023 nan 8.300 nan 0.000 0.457 21 N N 7.315 125.900 118.700 -0.192 0.000 2.678 21 N HA 0.215 4.986 4.740 0.052 0.000 0.231 21 N C -2.187 173.090 175.510 -0.388 0.000 1.038 21 N CA -1.766 51.083 53.050 -0.336 0.000 0.932 21 N CB 0.930 39.362 38.487 -0.092 0.000 1.176 21 N HN 0.472 nan 8.380 nan 0.000 0.511 22 P HA -0.140 nan 4.420 nan 0.000 0.215 22 P C 1.187 178.456 177.300 -0.052 0.000 1.157 22 P CA 1.278 64.204 63.100 -0.291 0.000 0.874 22 P CB 0.400 31.931 31.700 -0.280 0.000 0.790 23 S N -0.113 115.529 115.700 -0.097 0.000 2.368 23 S HA -0.211 4.290 4.470 0.052 0.000 0.225 23 S C 2.218 176.822 174.600 0.007 0.000 1.030 23 S CA 1.452 59.628 58.200 -0.039 0.000 0.999 23 S CB -0.835 62.318 63.200 -0.079 0.000 0.844 23 S HN 0.346 nan 8.310 nan 0.000 0.459 24 Q N 0.804 120.602 119.800 -0.003 0.000 2.079 24 Q HA -0.167 4.204 4.340 0.052 0.000 0.200 24 Q C 1.216 177.273 176.000 0.095 0.000 0.974 24 Q CA 1.400 57.227 55.803 0.040 0.000 0.840 24 Q CB -0.145 28.610 28.738 0.028 0.000 0.898 24 Q HN 0.368 nan 8.270 nan 0.000 0.430 25 D N 0.439 120.901 120.400 0.104 0.000 2.123 25 D HA -0.153 4.519 4.640 0.052 0.000 0.196 25 D C 1.722 178.135 176.300 0.188 0.000 0.992 25 D CA 1.422 55.508 54.000 0.144 0.000 0.833 25 D CB -0.140 40.773 40.800 0.188 0.000 0.954 25 D HN 0.427 nan 8.370 nan 0.000 0.455 26 A N 0.977 123.934 122.820 0.229 0.000 1.969 26 A HA -0.182 4.169 4.320 0.052 0.000 0.218 26 A C 2.060 179.913 177.584 0.448 0.000 1.169 26 A CA 1.258 53.528 52.037 0.388 0.000 0.635 26 A CB -0.374 18.868 19.000 0.403 0.000 0.810 26 A HN 0.208 nan 8.150 nan 0.000 0.445 27 E N -0.708 119.679 120.200 0.312 0.000 2.072 27 E HA -0.114 4.268 4.350 0.052 0.000 0.191 27 E C 1.998 178.755 176.600 0.262 0.000 0.985 27 E CA 1.555 58.140 56.400 0.309 0.000 0.801 27 E CB -0.309 29.496 29.700 0.175 0.000 0.750 27 E HN 0.609 nan 8.360 nan 0.000 0.452 28 T N 1.579 116.250 114.554 0.194 0.000 2.867 28 T HA -0.110 4.271 4.350 0.052 0.000 0.268 28 T C 1.717 176.507 174.700 0.151 0.000 1.057 28 T CA 0.576 62.764 62.100 0.147 0.000 1.136 28 T CB -0.050 68.882 68.868 0.106 0.000 0.874 28 T HN -0.022 nan 8.240 nan 0.000 0.466 29 L N 0.000 121.337 121.223 0.189 0.000 2.093 29 L HA 0.097 4.469 4.340 0.052 0.000 0.208 29 L C 2.031 179.014 176.870 0.188 0.000 1.085 29 L CA 1.340 56.275 54.840 0.158 0.000 0.755 29 L CB -1.200 40.945 42.059 0.143 0.000 0.904 29 L HN 0.294 nan 8.230 nan 0.000 0.435 30 Y N 0.736 121.113 120.300 0.128 0.000 2.163 30 Y HA -0.241 4.340 4.550 0.052 0.000 0.288 30 Y C 2.336 178.215 175.900 -0.034 0.000 1.136 30 Y CA 1.791 59.876 58.100 -0.025 0.000 1.147 30 Y CB -0.042 38.176 38.460 -0.404 0.000 0.987 30 Y HN 0.297 nan 8.280 nan 0.000 0.509 31 N N 0.283 119.081 118.700 0.164 0.000 2.309 31 N HA -0.111 4.660 4.740 0.052 0.000 0.182 31 N C 1.842 177.362 175.510 0.017 0.000 1.018 31 N CA 1.143 54.244 53.050 0.085 0.000 0.876 31 N CB -0.675 37.885 38.487 0.123 0.000 0.972 31 N HN 0.491 nan 8.380 nan 0.000 0.434 32 A N 0.693 123.531 122.820 0.030 0.000 1.930 32 A HA -0.017 4.334 4.320 0.052 0.000 0.217 32 A C 1.985 179.561 177.584 -0.012 0.000 1.175 32 A CA 1.072 53.120 52.037 0.020 0.000 0.627 32 A CB -0.357 18.666 19.000 0.038 0.000 0.815 32 A HN 0.212 nan 8.150 nan 0.000 0.443 33 M N -0.641 118.924 119.600 -0.058 0.000 2.561 33 M HA 0.113 4.624 4.480 0.052 0.000 0.238 33 M C 0.454 176.673 176.300 -0.134 0.000 1.131 33 M CA 0.237 55.487 55.300 -0.082 0.000 1.046 33 M CB 0.044 32.586 32.600 -0.097 0.000 1.532 33 M HN 0.104 nan 8.290 nan 0.000 0.497 34 K N 1.325 121.636 120.400 -0.149 0.000 2.382 34 K HA 0.335 4.687 4.320 0.052 0.000 0.275 34 K C 0.679 177.217 176.600 -0.102 0.000 1.009 34 K CA 0.735 56.929 56.287 -0.155 0.000 0.970 34 K CB 0.375 32.816 32.500 -0.099 0.000 0.934 34 K HN 0.316 nan 8.250 nan 0.000 0.479 35 G N 2.006 110.718 108.800 -0.147 0.000 2.782 35 G HA2 -0.279 3.713 3.960 0.052 0.000 0.228 35 G HA3 -0.279 3.713 3.960 0.052 0.000 0.228 35 G C -0.735 174.057 174.900 -0.181 0.000 1.372 35 G CA -0.816 44.185 45.100 -0.164 0.000 0.862 35 G HN 0.463 nan 8.290 nan 0.000 0.547 36 F N 2.452 122.401 119.950 -0.002 0.000 2.519 36 F HA 0.414 4.973 4.527 0.052 0.000 0.375 36 F C 1.650 177.441 175.800 -0.014 0.000 1.084 36 F CA 2.206 60.204 58.000 -0.004 0.000 1.147 36 F CB 0.365 39.362 39.000 -0.004 0.000 1.088 36 F HN 1.798 nan 8.300 nan 0.000 0.555 37 G N 2.529 111.395 108.800 0.109 0.000 2.481 37 G HA2 0.107 4.098 3.960 0.052 0.000 0.230 37 G HA3 0.107 4.098 3.960 0.052 0.000 0.230 37 G C -0.738 174.175 174.900 0.021 0.000 1.210 37 G CA -0.491 44.639 45.100 0.050 0.000 0.936 37 G HN 1.289 nan 8.290 nan 0.000 0.583 38 S N -1.196 114.520 115.700 0.026 0.000 2.611 38 S HA 0.502 5.003 4.470 0.052 0.000 0.270 38 S C -1.560 173.058 174.600 0.030 0.000 1.131 38 S CA 0.120 58.333 58.200 0.022 0.000 0.826 38 S CB 1.985 65.201 63.200 0.026 0.000 1.095 38 S HN 1.132 nan 8.310 nan 0.000 0.461 39 D N 0.747 121.165 120.400 0.030 0.000 2.558 39 D HA 0.304 4.975 4.640 0.052 0.000 0.221 39 D C 0.819 177.147 176.300 0.047 0.000 1.143 39 D CA -0.240 53.777 54.000 0.029 0.000 1.010 39 D CB 0.057 40.873 40.800 0.027 0.000 1.068 39 D HN 0.489 nan 8.370 nan 0.000 0.511 40 K N 0.738 121.168 120.400 0.050 0.000 2.113 40 K HA -0.170 4.181 4.320 0.052 0.000 0.208 40 K C 1.693 178.334 176.600 0.068 0.000 1.047 40 K CA 0.891 57.236 56.287 0.096 0.000 0.928 40 K CB 0.220 32.701 32.500 -0.032 0.000 0.716 40 K HN 0.208 nan 8.250 nan 0.000 0.446 41 E N 0.410 120.616 120.200 0.010 0.000 2.160 41 E HA -0.166 4.215 4.350 0.052 0.000 0.195 41 E C 1.814 178.431 176.600 0.029 0.000 0.991 41 E CA 1.381 57.785 56.400 0.006 0.000 0.810 41 E CB -0.010 29.685 29.700 -0.008 0.000 0.742 41 E HN 0.349 nan 8.360 nan 0.000 0.466 42 A N 0.268 123.110 122.820 0.036 0.000 1.903 42 A HA -0.020 4.331 4.320 0.052 0.000 0.213 42 A C 2.318 179.928 177.584 0.043 0.000 1.185 42 A CA 0.621 52.679 52.037 0.034 0.000 0.628 42 A CB -0.417 18.603 19.000 0.034 0.000 0.830 42 A HN 0.198 nan 8.150 nan 0.000 0.446 43 I N 0.786 121.397 120.570 0.068 0.000 2.179 43 I HA -0.267 3.935 4.170 0.052 0.000 0.242 43 I C 2.515 178.674 176.117 0.070 0.000 1.088 43 I CA 1.773 63.115 61.300 0.069 0.000 1.357 43 I CB -0.348 37.711 38.000 0.098 0.000 1.051 43 I HN 0.591 nan 8.210 nan 0.000 0.409 44 I N -1.246 119.400 120.570 0.127 0.000 2.252 44 I HA -0.191 4.010 4.170 0.052 0.000 0.245 44 I C 2.221 178.366 176.117 0.046 0.000 1.102 44 I CA 1.630 63.003 61.300 0.122 0.000 1.385 44 I CB -0.623 37.501 38.000 0.205 0.000 1.064 44 I HN 0.186 nan 8.210 nan 0.000 0.414 45 N N 1.244 119.960 118.700 0.028 0.000 2.223 45 N HA -0.139 4.632 4.740 0.052 0.000 0.185 45 N C 1.766 177.246 175.510 -0.049 0.000 1.016 45 N CA 1.426 54.470 53.050 -0.009 0.000 0.863 45 N CB -0.307 38.175 38.487 -0.009 0.000 0.983 45 N HN 0.373 nan 8.380 nan 0.000 0.429 46 L N 1.346 122.546 121.223 -0.038 0.000 1.971 46 L HA 0.074 4.445 4.340 0.052 0.000 0.208 46 L C 2.087 178.913 176.870 -0.073 0.000 1.083 46 L CA 1.271 56.070 54.840 -0.069 0.000 0.753 46 L CB -1.108 40.938 42.059 -0.022 0.000 0.893 46 L HN 0.035 nan 8.230 nan 0.000 0.436 47 I N -0.497 120.050 120.570 -0.038 0.000 2.185 47 I HA -0.367 3.834 4.170 0.052 0.000 0.246 47 I C 2.180 178.269 176.117 -0.048 0.000 1.088 47 I CA 1.980 63.256 61.300 -0.041 0.000 1.347 47 I CB -0.656 37.321 38.000 -0.039 0.000 1.041 47 I HN 0.371 nan 8.210 nan 0.000 0.415 48 T N -0.623 113.909 114.554 -0.038 0.000 3.118 48 T HA 0.002 4.384 4.350 0.052 0.000 0.260 48 T C 1.427 176.098 174.700 -0.049 0.000 1.139 48 T CA 0.776 62.857 62.100 -0.031 0.000 1.085 48 T CB -0.027 68.836 68.868 -0.008 0.000 0.934 48 T HN 0.201 nan 8.240 nan 0.000 0.518 49 S N 1.082 116.725 115.700 -0.095 0.000 2.574 49 S HA 0.325 4.826 4.470 0.052 0.000 0.242 49 S C 0.077 174.572 174.600 -0.175 0.000 0.982 49 S CA -0.452 57.660 58.200 -0.147 0.000 0.977 49 S CB 0.349 63.394 63.200 -0.258 0.000 0.814 49 S HN 0.255 nan 8.310 nan 0.000 0.464 50 R N 1.355 121.787 120.500 -0.112 0.000 2.698 50 R HA 0.404 4.776 4.340 0.052 0.000 0.275 50 R C -0.491 175.753 176.300 -0.092 0.000 1.001 50 R CA -0.440 55.593 56.100 -0.111 0.000 0.896 50 R CB 1.348 31.567 30.300 -0.135 0.000 1.218 50 R HN 0.269 nan 8.270 nan 0.000 0.462 51 S N 0.720 116.349 115.700 -0.118 0.000 2.584 51 S HA -0.014 4.487 4.470 0.052 0.000 0.270 51 S C 1.102 175.653 174.600 -0.082 0.000 1.346 51 S CA -0.617 57.531 58.200 -0.087 0.000 1.018 51 S CB 0.981 64.116 63.200 -0.109 0.000 0.899 51 S HN 0.739 nan 8.310 nan 0.000 0.542 52 N N 1.509 120.185 118.700 -0.040 0.000 2.289 52 N HA -0.189 4.582 4.740 0.052 0.000 0.184 52 N C 1.588 177.079 175.510 -0.032 0.000 1.016 52 N CA 1.404 54.438 53.050 -0.027 0.000 0.872 52 N CB -0.225 38.261 38.487 -0.003 0.000 0.973 52 N HN 0.816 nan 8.380 nan 0.000 0.433 53 K N 0.644 121.017 120.400 -0.046 0.000 2.062 53 K HA -0.101 4.250 4.320 0.052 0.000 0.205 53 K C 1.891 178.453 176.600 -0.064 0.000 1.051 53 K CA 0.943 57.206 56.287 -0.039 0.000 0.941 53 K CB -0.071 32.404 32.500 -0.040 0.000 0.719 53 K HN 0.220 nan 8.250 nan 0.000 0.440 54 Q N 0.205 119.895 119.800 -0.183 0.000 2.119 54 Q HA -0.060 4.311 4.340 0.052 0.000 0.201 54 Q C 2.198 178.154 176.000 -0.073 0.000 0.972 54 Q CA 1.287 56.880 55.803 -0.349 0.000 0.847 54 Q CB 0.069 28.296 28.738 -0.852 0.000 0.903 54 Q HN 0.301 nan 8.270 nan 0.000 0.433 55 R N 0.036 120.501 120.500 -0.058 0.000 2.120 55 R HA -0.127 4.244 4.340 0.052 0.000 0.234 55 R C 2.245 178.562 176.300 0.029 0.000 1.123 55 R CA 0.921 57.021 56.100 -0.001 0.000 0.975 55 R CB 0.006 30.290 30.300 -0.026 0.000 0.866 55 R HN 0.238 nan 8.270 nan 0.000 0.446 56 Q N 0.529 120.341 119.800 0.021 0.000 2.079 56 Q HA -0.140 4.232 4.340 0.052 0.000 0.200 56 Q C 1.834 177.875 176.000 0.069 0.000 0.974 56 Q CA 1.348 57.167 55.803 0.027 0.000 0.840 56 Q CB 0.015 28.762 28.738 0.014 0.000 0.898 56 Q HN 0.447 nan 8.270 nan 0.000 0.430 57 E N 0.154 120.427 120.200 0.121 0.000 2.047 57 E HA -0.121 4.260 4.350 0.052 0.000 0.191 57 E C 2.161 178.873 176.600 0.185 0.000 0.987 57 E CA 0.590 57.098 56.400 0.179 0.000 0.799 57 E CB -0.054 29.844 29.700 0.330 0.000 0.752 57 E HN 0.299 nan 8.360 nan 0.000 0.449 58 I N 0.820 121.529 120.570 0.232 0.000 2.127 58 I HA -0.356 3.846 4.170 0.052 0.000 0.241 58 I C 2.928 179.147 176.117 0.171 0.000 1.075 58 I CA 1.018 62.447 61.300 0.215 0.000 1.334 58 I CB -0.438 37.689 38.000 0.212 0.000 1.040 58 I HN 0.330 nan 8.210 nan 0.000 0.405 59 C N 0.687 120.050 119.300 0.105 0.000 2.410 59 C HA -0.186 4.305 4.460 0.052 0.000 0.281 59 C C 2.721 177.784 174.990 0.122 0.000 1.318 59 C CA 1.218 60.277 59.018 0.068 0.000 1.776 59 C CB -1.067 26.674 27.740 0.001 0.000 1.942 59 C HN 0.504 nan 8.230 nan 0.000 0.508 60 Q N 0.183 120.049 119.800 0.109 0.000 2.062 60 Q HA -0.068 4.304 4.340 0.052 0.000 0.196 60 Q C 2.263 178.327 176.000 0.106 0.000 0.967 60 Q CA 1.428 57.285 55.803 0.091 0.000 0.832 60 Q CB -0.186 28.591 28.738 0.065 0.000 0.899 60 Q HN 0.698 nan 8.270 nan 0.000 0.442 61 N N -0.324 118.444 118.700 0.113 0.000 2.223 61 N HA -0.189 4.582 4.740 0.052 0.000 0.185 61 N C 1.539 177.117 175.510 0.112 0.000 1.016 61 N CA 1.010 54.105 53.050 0.075 0.000 0.863 61 N CB -0.095 38.428 38.487 0.061 0.000 0.983 61 N HN 0.273 nan 8.380 nan 0.000 0.429 62 Y N 2.050 122.408 120.300 0.097 0.000 2.242 62 Y HA -0.127 4.454 4.550 0.053 0.000 0.291 62 Y C 2.503 178.514 175.900 0.184 0.000 1.137 62 Y CA 1.506 59.736 58.100 0.216 0.000 1.181 62 Y CB -0.078 38.506 38.460 0.207 0.000 0.989 62 Y HN -0.110 nan 8.280 nan 0.000 0.527 63 K N -0.346 120.245 120.400 0.318 0.000 2.147 63 K HA -0.158 4.193 4.320 0.052 0.000 0.205 63 K C 2.255 178.895 176.600 0.066 0.000 1.049 63 K CA 1.566 57.971 56.287 0.198 0.000 0.936 63 K CB -0.176 32.404 32.500 0.133 0.000 0.722 63 K HN 0.474 nan 8.250 nan 0.000 0.446 64 S N 0.054 115.759 115.700 0.008 0.000 2.398 64 S HA -0.055 4.447 4.470 0.052 0.000 0.220 64 S C 1.854 176.348 174.600 -0.175 0.000 1.046 64 S CA 0.089 58.251 58.200 -0.064 0.000 0.953 64 S CB -0.330 62.835 63.200 -0.059 0.000 0.856 64 S HN 0.170 nan 8.310 nan 0.000 0.506 65 L N 0.355 121.405 121.223 -0.289 0.000 2.349 65 L HA 0.122 4.493 4.340 0.052 0.000 0.220 65 L C 0.983 177.262 176.870 -0.985 0.000 1.130 65 L CA 1.503 55.956 54.840 -0.644 0.000 0.791 65 L CB -0.983 40.592 42.059 -0.806 0.000 0.918 65 L HN 0.521 nan 8.230 nan 0.000 0.444 66 Y N -2.623 117.495 120.300 -0.304 0.000 2.563 66 Y HA 0.401 4.982 4.550 0.052 0.000 0.273 66 Y C 1.714 177.515 175.900 -0.165 0.000 1.034 66 Y CA -0.004 57.899 58.100 -0.329 0.000 1.217 66 Y CB -0.126 37.992 38.460 -0.570 0.000 1.380 66 Y HN -0.060 nan 8.280 nan 0.000 0.568 67 G N 1.454 110.265 108.800 0.019 0.000 2.160 67 G HA2 -0.292 3.700 3.960 0.052 0.000 0.251 67 G HA3 -0.292 3.700 3.960 0.052 0.000 0.251 67 G C -0.052 174.901 174.900 0.089 0.000 1.008 67 G CA 0.472 45.596 45.100 0.039 0.000 0.724 67 G HN 0.336 nan 8.290 nan 0.000 0.514 68 K N -0.359 120.135 120.400 0.157 0.000 2.350 68 K HA 0.530 4.881 4.320 0.052 0.000 0.241 68 K C -1.084 175.716 176.600 0.334 0.000 0.994 68 K CA -1.054 55.372 56.287 0.231 0.000 0.839 68 K CB 1.523 34.199 32.500 0.293 0.000 1.244 68 K HN 0.022 nan 8.250 nan 0.000 0.443 69 D N 2.175 122.711 120.400 0.227 0.000 2.359 69 D HA 0.038 4.709 4.640 0.052 0.000 0.230 69 D C 0.614 176.938 176.300 0.042 0.000 1.118 69 D CA -0.323 53.757 54.000 0.134 0.000 0.844 69 D CB 1.301 42.133 40.800 0.053 0.000 1.059 69 D HN 0.327 nan 8.370 nan 0.000 0.493 70 L N 5.532 126.674 121.223 -0.135 0.000 2.042 70 L HA -0.142 4.229 4.340 0.052 0.000 0.210 70 L C 1.914 178.629 176.870 -0.259 0.000 1.076 70 L CA 1.699 56.222 54.840 -0.529 0.000 0.749 70 L CB -0.373 41.313 42.059 -0.621 0.000 0.893 70 L HN 0.581 nan 8.230 nan 0.000 0.432 71 I N -0.939 119.547 120.570 -0.141 0.000 2.286 71 I HA -0.243 3.959 4.170 0.052 0.000 0.245 71 I C 2.510 178.594 176.117 -0.054 0.000 1.104 71 I CA 1.026 62.270 61.300 -0.093 0.000 1.397 71 I CB -0.496 37.465 38.000 -0.066 0.000 1.072 71 I HN 0.346 nan 8.210 nan 0.000 0.417 72 A N 0.464 123.266 122.820 -0.030 0.000 1.902 72 A HA -0.240 4.112 4.320 0.052 0.000 0.217 72 A C 1.897 179.495 177.584 0.023 0.000 1.181 72 A CA 2.078 54.117 52.037 0.004 0.000 0.623 72 A CB -0.580 18.427 19.000 0.011 0.000 0.818 72 A HN 0.317 nan 8.150 nan 0.000 0.443 73 D N -0.082 120.322 120.400 0.007 0.000 2.117 73 D HA -0.092 4.580 4.640 0.052 0.000 0.197 73 D C 1.899 178.225 176.300 0.044 0.000 0.987 73 D CA 0.888 54.909 54.000 0.036 0.000 0.829 73 D CB -0.298 40.520 40.800 0.030 0.000 0.961 73 D HN 0.420 nan 8.370 nan 0.000 0.460 74 L N 0.391 121.591 121.223 -0.038 0.000 2.046 74 L HA -0.151 4.221 4.340 0.052 0.000 0.208 74 L C 2.308 179.163 176.870 -0.026 0.000 1.077 74 L CA 1.121 55.928 54.840 -0.055 0.000 0.747 74 L CB -0.191 41.801 42.059 -0.113 0.000 0.896 74 L HN -0.023 nan 8.230 nan 0.000 0.432 75 K N -1.105 119.293 120.400 -0.004 0.000 2.152 75 K HA -0.245 4.106 4.320 0.052 0.000 0.206 75 K C 2.025 178.658 176.600 0.055 0.000 1.048 75 K CA 1.609 57.903 56.287 0.011 0.000 0.933 75 K CB -0.134 32.380 32.500 0.025 0.000 0.721 75 K HN 0.246 nan 8.250 nan 0.000 0.447 76 Y N 1.183 121.465 120.300 -0.030 0.000 2.201 76 Y HA -0.091 4.491 4.550 0.052 0.000 0.292 76 Y C 1.882 177.774 175.900 -0.013 0.000 1.119 76 Y CA 1.326 59.415 58.100 -0.018 0.000 1.127 76 Y CB 0.059 38.507 38.460 -0.020 0.000 1.019 76 Y HN -0.079 nan 8.280 nan 0.000 0.514 77 E N 0.435 120.600 120.200 -0.060 0.000 2.409 77 E HA 0.064 4.445 4.350 0.052 0.000 0.198 77 E C -0.326 176.218 176.600 -0.094 0.000 1.024 77 E CA 0.442 56.759 56.400 -0.139 0.000 0.861 77 E CB -0.016 29.688 29.700 0.007 0.000 0.788 77 E HN 0.382 nan 8.360 nan 0.000 0.521 78 L N -1.676 119.509 121.223 -0.064 0.000 2.279 78 L HA 0.594 4.965 4.340 0.052 0.000 0.262 78 L C -0.055 176.804 176.870 -0.020 0.000 1.019 78 L CA -0.791 54.049 54.840 -0.000 0.000 0.823 78 L CB 2.283 44.318 42.059 -0.040 0.000 1.358 78 L HN -0.252 nan 8.230 nan 0.000 0.432 79 T N -0.513 114.065 114.554 0.041 0.000 2.886 79 T HA 0.631 5.013 4.350 0.052 0.000 0.330 79 T C -0.531 174.196 174.700 0.046 0.000 1.488 79 T CA 0.426 62.533 62.100 0.013 0.000 1.054 79 T CB 1.807 70.665 68.868 -0.016 0.000 1.348 79 T HN 1.184 nan 8.240 nan 0.000 0.489 80 G N 2.223 111.025 108.800 0.003 0.000 2.660 80 G HA2 -0.146 3.846 3.960 0.052 0.000 0.247 80 G HA3 -0.146 3.846 3.960 0.052 0.000 0.247 80 G C 0.376 175.251 174.900 -0.041 0.000 1.328 80 G CA 0.393 45.481 45.100 -0.020 0.000 0.884 80 G HN 0.822 nan 8.290 nan 0.000 0.531 81 K N -0.817 119.498 120.400 -0.142 0.000 2.103 81 K HA 0.030 4.381 4.320 0.052 0.000 0.207 81 K C 2.232 178.825 176.600 -0.013 0.000 1.048 81 K CA 2.178 58.321 56.287 -0.240 0.000 0.930 81 K CB -0.273 31.751 32.500 -0.793 0.000 0.716 81 K HN 0.456 nan 8.250 nan 0.000 0.444 82 F N 1.999 121.912 119.950 -0.061 0.000 2.202 82 F HA -0.200 4.358 4.527 0.051 0.000 0.301 82 F C 2.039 177.879 175.800 0.067 0.000 1.082 82 F CA 1.524 59.595 58.000 0.117 0.000 1.313 82 F CB -0.091 38.953 39.000 0.074 0.000 1.024 82 F HN 0.120 nan 8.300 nan 0.000 0.495 83 E N 0.251 120.362 120.200 -0.147 0.000 2.046 83 E HA -0.229 4.152 4.350 0.052 0.000 0.190 83 E C 2.531 179.032 176.600 -0.165 0.000 0.982 83 E CA 0.751 57.005 56.400 -0.243 0.000 0.800 83 E CB -0.286 29.353 29.700 -0.103 0.000 0.756 83 E HN 0.422 nan 8.360 nan 0.000 0.449 84 R N 0.341 120.800 120.500 -0.070 0.000 2.103 84 R HA -0.197 4.174 4.340 0.052 0.000 0.242 84 R C 2.558 178.845 176.300 -0.022 0.000 1.142 84 R CA 1.446 57.530 56.100 -0.027 0.000 0.960 84 R CB -0.311 29.992 30.300 0.006 0.000 0.858 84 R HN 0.201 nan 8.270 nan 0.000 0.439 85 L N 0.891 122.115 121.223 0.003 0.000 1.976 85 L HA -0.174 4.197 4.340 0.052 0.000 0.209 85 L C 2.095 178.915 176.870 -0.084 0.000 1.071 85 L CA 1.727 56.574 54.840 0.011 0.000 0.746 85 L CB -0.586 41.538 42.059 0.108 0.000 0.890 85 L HN 0.201 nan 8.230 nan 0.000 0.432 86 I N -0.854 119.586 120.570 -0.216 0.000 2.127 86 I HA -0.264 3.937 4.170 0.052 0.000 0.241 86 I C 2.579 178.600 176.117 -0.159 0.000 1.075 86 I CA 1.424 62.577 61.300 -0.245 0.000 1.334 86 I CB -1.288 36.431 38.000 -0.467 0.000 1.040 86 I HN 0.130 nan 8.210 nan 0.000 0.405 87 V N 1.285 121.109 119.914 -0.149 0.000 2.407 87 V HA -0.170 3.982 4.120 0.052 0.000 0.248 87 V C 2.651 178.714 176.094 -0.052 0.000 1.055 87 V CA 1.934 64.178 62.300 -0.093 0.000 1.049 87 V CB -1.350 30.428 31.823 -0.073 0.000 0.662 87 V HN 0.536 nan 8.190 nan 0.000 0.455 88 G N -0.620 108.157 108.800 -0.038 0.000 2.443 88 G HA2 -0.161 3.831 3.960 0.052 0.000 0.219 88 G HA3 -0.161 3.831 3.960 0.052 0.000 0.219 88 G C 1.513 176.406 174.900 -0.011 0.000 1.131 88 G CA 0.445 45.541 45.100 -0.007 0.000 0.775 88 G HN 0.493 nan 8.290 nan 0.000 0.547 89 L N 0.056 121.259 121.223 -0.033 0.000 2.492 89 L HA 0.141 4.512 4.340 0.052 0.000 0.223 89 L C 2.585 179.436 176.870 -0.032 0.000 1.132 89 L CA 0.126 54.947 54.840 -0.032 0.000 0.850 89 L CB -0.026 42.007 42.059 -0.044 0.000 0.966 89 L HN 0.149 nan 8.230 nan 0.000 0.454 90 M N -1.129 118.447 119.600 -0.039 0.000 2.466 90 M HA 0.056 4.568 4.480 0.052 0.000 0.265 90 M C 1.007 177.291 176.300 -0.027 0.000 1.122 90 M CA 0.693 55.968 55.300 -0.042 0.000 1.157 90 M CB -0.481 32.080 32.600 -0.064 0.000 1.352 90 M HN 0.021 nan 8.290 nan 0.000 0.464 91 R N 1.375 121.869 120.500 -0.010 0.000 2.570 91 R HA 0.113 4.485 4.340 0.052 0.000 0.277 91 R C -2.234 174.090 176.300 0.040 0.000 1.039 91 R CA -1.357 54.752 56.100 0.016 0.000 1.065 91 R CB -0.148 30.187 30.300 0.059 0.000 0.964 91 R HN -0.008 nan 8.270 nan 0.000 0.428 92 P HA 0.021 nan 4.420 nan 0.000 0.268 92 P C -2.023 175.361 177.300 0.140 0.000 1.205 92 P CA -1.124 62.028 63.100 0.086 0.000 0.771 92 P CB 0.371 32.126 31.700 0.090 0.000 0.858 93 P HA -0.353 nan 4.420 nan 0.000 0.222 93 P C 1.273 178.636 177.300 0.105 0.000 1.159 93 P CA 2.705 65.856 63.100 0.084 0.000 0.920 93 P CB -0.424 31.315 31.700 0.065 0.000 0.793 94 A N -2.230 120.668 122.820 0.130 0.000 1.898 94 A HA -0.206 4.146 4.320 0.052 0.000 0.216 94 A C 2.098 179.713 177.584 0.053 0.000 1.181 94 A CA 1.505 53.591 52.037 0.082 0.000 0.620 94 A CB -1.839 17.197 19.000 0.061 0.000 0.819 94 A HN 0.172 nan 8.150 nan 0.000 0.442 95 Y N -0.248 120.087 120.300 0.058 0.000 2.439 95 Y HA 0.070 4.651 4.550 0.052 0.000 0.292 95 Y C 2.710 178.659 175.900 0.082 0.000 1.130 95 Y CA 0.499 58.635 58.100 0.060 0.000 1.254 95 Y CB -0.267 38.202 38.460 0.014 0.000 1.000 95 Y HN 0.348 nan 8.280 nan 0.000 0.554 96 A N -0.179 122.758 122.820 0.195 0.000 1.897 96 A HA -0.134 4.217 4.320 0.052 0.000 0.215 96 A C 1.908 179.566 177.584 0.124 0.000 1.181 96 A CA 1.722 53.841 52.037 0.137 0.000 0.620 96 A CB -0.536 18.519 19.000 0.092 0.000 0.821 96 A HN 0.258 nan 8.150 nan 0.000 0.443 97 D N 0.300 120.764 120.400 0.107 0.000 2.097 97 D HA -0.089 4.583 4.640 0.052 0.000 0.195 97 D C 2.260 178.640 176.300 0.133 0.000 0.989 97 D CA 1.628 55.687 54.000 0.099 0.000 0.827 97 D CB -0.460 40.385 40.800 0.075 0.000 0.966 97 D HN 0.380 nan 8.370 nan 0.000 0.456 98 A N 0.964 123.882 122.820 0.164 0.000 1.940 98 A HA -0.265 4.087 4.320 0.052 0.000 0.219 98 A C 2.074 179.845 177.584 0.313 0.000 1.176 98 A CA 2.372 54.585 52.037 0.294 0.000 0.631 98 A CB -0.543 18.631 19.000 0.289 0.000 0.814 98 A HN 0.284 nan 8.150 nan 0.000 0.446 99 K N -0.223 120.336 120.400 0.264 0.000 2.002 99 K HA -0.170 4.181 4.320 0.052 0.000 0.209 99 K C 1.814 178.488 176.600 0.123 0.000 1.048 99 K CA 1.705 58.124 56.287 0.220 0.000 0.930 99 K CB -0.221 32.400 32.500 0.201 0.000 0.714 99 K HN 0.369 nan 8.250 nan 0.000 0.438 100 E N 0.840 121.109 120.200 0.117 0.000 2.097 100 E HA -0.195 4.186 4.350 0.052 0.000 0.196 100 E C 2.090 178.741 176.600 0.085 0.000 1.000 100 E CA 1.237 57.691 56.400 0.090 0.000 0.804 100 E CB -0.213 29.540 29.700 0.089 0.000 0.740 100 E HN 0.410 nan 8.360 nan 0.000 0.454 101 I N 1.278 121.910 120.570 0.103 0.000 2.226 101 I HA -0.220 3.981 4.170 0.052 0.000 0.245 101 I C 2.405 178.578 176.117 0.093 0.000 1.100 101 I CA 1.005 62.357 61.300 0.086 0.000 1.374 101 I CB -0.892 37.148 38.000 0.067 0.000 1.057 101 I HN 0.080 nan 8.210 nan 0.000 0.413 102 K N 1.089 121.551 120.400 0.103 0.000 1.991 102 K HA -0.216 4.135 4.320 0.052 0.000 0.212 102 K C 1.673 178.257 176.600 -0.026 0.000 1.049 102 K CA 1.844 58.115 56.287 -0.026 0.000 0.932 102 K CB -0.227 32.049 32.500 -0.373 0.000 0.717 102 K HN 0.293 nan 8.250 nan 0.000 0.441 103 D N 0.305 120.701 120.400 -0.007 0.000 2.133 103 D HA -0.178 4.494 4.640 0.052 0.000 0.195 103 D C 1.778 178.092 176.300 0.022 0.000 0.997 103 D CA 1.354 55.359 54.000 0.008 0.000 0.840 103 D CB -0.224 40.591 40.800 0.026 0.000 0.947 103 D HN 0.287 nan 8.370 nan 0.000 0.452 104 A N 1.446 124.289 122.820 0.038 0.000 1.865 104 A HA -0.151 4.201 4.320 0.052 0.000 0.217 104 A C 2.278 179.886 177.584 0.041 0.000 1.191 104 A CA 1.648 53.712 52.037 0.046 0.000 0.623 104 A CB -0.771 18.266 19.000 0.061 0.000 0.826 104 A HN 0.444 nan 8.150 nan 0.000 0.444 105 I N -4.104 116.489 120.570 0.038 0.000 3.793 105 I HA 0.252 4.454 4.170 0.052 0.000 0.315 105 I C -0.151 175.982 176.117 0.026 0.000 1.275 105 I CA 0.090 61.411 61.300 0.036 0.000 1.214 105 I CB 0.364 38.384 38.000 0.034 0.000 1.018 105 I HN 0.005 nan 8.210 nan 0.000 0.439 106 S N 1.550 117.258 115.700 0.014 0.000 2.640 106 S HA 0.820 5.321 4.470 0.052 0.000 0.320 106 S C 0.109 174.711 174.600 0.003 0.000 1.097 106 S CA -0.005 58.196 58.200 0.001 0.000 1.092 106 S CB 1.425 64.608 63.200 -0.028 0.000 0.988 106 S HN 0.791 nan 8.310 nan 0.000 0.470 107 G N 2.898 111.702 108.800 0.007 0.000 2.288 107 G HA2 0.032 4.023 3.960 0.052 0.000 0.227 107 G HA3 0.032 4.023 3.960 0.052 0.000 0.227 107 G C -0.103 174.802 174.900 0.009 0.000 1.339 107 G CA -0.557 44.548 45.100 0.008 0.000 1.057 107 G HN 0.400 nan 8.290 nan 0.000 0.470 108 I N 1.645 122.221 120.570 0.009 0.000 2.330 108 I HA 0.236 4.437 4.170 0.052 0.000 0.229 108 I C 2.568 178.690 176.117 0.009 0.000 1.063 108 I CA 2.029 63.334 61.300 0.008 0.000 1.367 108 I CB -2.001 36.003 38.000 0.007 0.000 1.158 108 I HN 0.759 nan 8.210 nan 0.000 0.411 109 G N 0.218 109.023 108.800 0.009 0.000 2.529 109 G HA2 0.327 4.318 3.960 0.052 0.000 0.234 109 G HA3 0.327 4.318 3.960 0.052 0.000 0.234 109 G C -0.761 174.148 174.900 0.015 0.000 1.527 109 G CA 0.166 45.272 45.100 0.009 0.000 1.062 109 G HN 0.370 nan 8.290 nan 0.000 0.558 110 T N 0.217 114.780 114.554 0.017 0.000 3.548 110 T HA 0.202 4.583 4.350 0.052 0.000 0.329 110 T C -1.534 173.186 174.700 0.034 0.000 0.960 110 T CA -0.502 61.616 62.100 0.029 0.000 1.041 110 T CB 1.520 70.407 68.868 0.032 0.000 1.065 110 T HN 0.410 nan 8.240 nan 0.000 0.459 111 D N 2.950 123.378 120.400 0.047 0.000 2.398 111 D HA 0.132 4.803 4.640 0.052 0.000 0.250 111 D C 1.132 177.484 176.300 0.087 0.000 1.287 111 D CA -0.219 53.815 54.000 0.057 0.000 0.992 111 D CB 0.858 41.693 40.800 0.059 0.000 1.071 111 D HN 0.535 nan 8.370 nan 0.000 0.514 112 E N 2.456 122.703 120.200 0.079 0.000 2.208 112 E HA -0.115 4.266 4.350 0.052 0.000 0.193 112 E C 1.498 178.204 176.600 0.176 0.000 0.988 112 E CA 0.840 57.327 56.400 0.145 0.000 0.828 112 E CB -0.075 29.616 29.700 -0.016 0.000 0.763 112 E HN 0.395 nan 8.360 nan 0.000 0.478 113 K N 0.260 120.729 120.400 0.115 0.000 2.097 113 K HA -0.098 4.254 4.320 0.052 0.000 0.206 113 K C 2.205 178.893 176.600 0.147 0.000 1.049 113 K CA 1.313 57.674 56.287 0.123 0.000 0.933 113 K CB -0.440 32.111 32.500 0.085 0.000 0.717 113 K HN 0.271 nan 8.250 nan 0.000 0.442 114 C N 0.764 120.141 119.300 0.130 0.000 2.486 114 C HA 0.007 4.498 4.460 0.052 0.000 0.279 114 C C 2.346 177.419 174.990 0.138 0.000 1.302 114 C CA 0.220 59.316 59.018 0.131 0.000 1.720 114 C CB -0.753 27.048 27.740 0.103 0.000 2.030 114 C HN 0.316 nan 8.230 nan 0.000 0.490 115 L N 1.142 122.450 121.223 0.141 0.000 2.042 115 L HA -0.066 4.305 4.340 0.052 0.000 0.210 115 L C 2.262 179.201 176.870 0.115 0.000 1.076 115 L CA 1.892 56.807 54.840 0.126 0.000 0.749 115 L CB -0.919 41.246 42.059 0.177 0.000 0.893 115 L HN 0.370 nan 8.230 nan 0.000 0.432 116 I N -1.200 119.476 120.570 0.177 0.000 2.286 116 I HA -0.242 3.959 4.170 0.052 0.000 0.245 116 I C 2.519 178.714 176.117 0.131 0.000 1.104 116 I CA 0.978 62.366 61.300 0.146 0.000 1.397 116 I CB -0.259 37.874 38.000 0.222 0.000 1.072 116 I HN 0.357 nan 8.210 nan 0.000 0.417 117 E N 1.493 121.824 120.200 0.219 0.000 2.058 117 E HA -0.230 4.152 4.350 0.052 0.000 0.194 117 E C 2.281 179.044 176.600 0.271 0.000 0.997 117 E CA 1.529 58.128 56.400 0.332 0.000 0.801 117 E CB 0.041 29.948 29.700 0.346 0.000 0.746 117 E HN 0.455 nan 8.360 nan 0.000 0.450 118 I N 0.308 120.993 120.570 0.192 0.000 2.188 118 I HA -0.235 3.967 4.170 0.052 0.000 0.237 118 I C 2.290 178.451 176.117 0.074 0.000 1.073 118 I CA 0.315 61.705 61.300 0.149 0.000 1.359 118 I CB -0.223 37.841 38.000 0.107 0.000 1.083 118 I HN 0.173 nan 8.210 nan 0.000 0.412 119 L N 0.871 122.110 121.223 0.027 0.000 2.129 119 L HA -0.196 4.175 4.340 0.052 0.000 0.212 119 L C 2.439 179.276 176.870 -0.055 0.000 1.087 119 L CA 2.030 56.853 54.840 -0.029 0.000 0.757 119 L CB -1.410 40.610 42.059 -0.063 0.000 0.896 119 L HN 0.267 nan 8.230 nan 0.000 0.434 120 A N -2.048 120.731 122.820 -0.068 0.000 2.132 120 A HA 0.005 4.356 4.320 0.052 0.000 0.213 120 A C 2.310 179.798 177.584 -0.160 0.000 1.154 120 A CA 1.081 53.032 52.037 -0.143 0.000 0.753 120 A CB -0.210 18.654 19.000 -0.226 0.000 0.826 120 A HN 0.503 nan 8.150 nan 0.000 0.469 121 S N -1.014 114.644 115.700 -0.071 0.000 2.506 121 S HA 0.178 4.680 4.470 0.052 0.000 0.230 121 S C 0.905 175.539 174.600 0.058 0.000 1.066 121 S CA -0.440 57.757 58.200 -0.006 0.000 0.940 121 S CB -0.173 63.136 63.200 0.181 0.000 0.818 121 S HN 0.301 nan 8.310 nan 0.000 0.518 122 R N 3.516 124.056 120.500 0.066 0.000 2.638 122 R HA 0.199 4.570 4.340 0.052 0.000 0.268 122 R C 0.857 177.148 176.300 -0.015 0.000 1.006 122 R CA 0.664 56.787 56.100 0.037 0.000 1.088 122 R CB -0.551 29.763 30.300 0.022 0.000 0.950 122 R HN 0.707 nan 8.270 nan 0.000 0.419 123 T N -1.117 113.424 114.554 -0.022 0.000 2.770 123 T HA 0.123 4.504 4.350 0.052 0.000 0.281 123 T C 1.316 175.944 174.700 -0.119 0.000 0.981 123 T CA -0.717 61.351 62.100 -0.054 0.000 0.955 123 T CB 0.681 69.531 68.868 -0.031 0.000 1.060 123 T HN 0.324 nan 8.240 nan 0.000 0.531 124 N N 0.489 119.098 118.700 -0.153 0.000 2.104 124 N HA -0.129 4.642 4.740 0.052 0.000 0.190 124 N C 1.780 177.037 175.510 -0.421 0.000 1.024 124 N CA 1.717 54.582 53.050 -0.309 0.000 0.853 124 N CB -0.631 37.741 38.487 -0.192 0.000 1.008 124 N HN 0.868 nan 8.380 nan 0.000 0.424 125 E N 1.119 121.231 120.200 -0.146 0.000 2.028 125 E HA -0.122 4.260 4.350 0.052 0.000 0.191 125 E C 1.827 178.415 176.600 -0.020 0.000 0.988 125 E CA 1.265 57.654 56.400 -0.019 0.000 0.799 125 E CB -0.153 29.566 29.700 0.031 0.000 0.755 125 E HN 0.364 nan 8.360 nan 0.000 0.447 126 Q N -0.210 119.571 119.800 -0.032 0.000 2.135 126 Q HA -0.154 4.217 4.340 0.052 0.000 0.204 126 Q C 2.112 178.098 176.000 -0.023 0.000 0.981 126 Q CA 1.334 57.133 55.803 -0.007 0.000 0.856 126 Q CB -0.100 28.640 28.738 0.003 0.000 0.902 126 Q HN 0.393 nan 8.270 nan 0.000 0.425 127 I N -0.026 120.489 120.570 -0.093 0.000 2.252 127 I HA -0.242 3.960 4.170 0.052 0.000 0.245 127 I C 1.896 177.997 176.117 -0.026 0.000 1.102 127 I CA 1.722 62.964 61.300 -0.098 0.000 1.385 127 I CB -1.039 36.850 38.000 -0.185 0.000 1.064 127 I HN 0.344 nan 8.210 nan 0.000 0.414 128 H N 0.064 119.133 119.070 -0.001 0.000 2.353 128 H HA -0.172 4.416 4.556 0.053 0.000 0.300 128 H C 2.196 177.524 175.328 0.001 0.000 1.090 128 H CA 1.066 57.114 56.048 -0.001 0.000 1.327 128 H CB 0.095 29.859 29.762 0.003 0.000 1.383 128 H HN 0.347 nan 8.280 nan 0.000 0.508 129 Q N 0.303 120.179 119.800 0.126 0.000 2.291 129 Q HA -0.083 4.288 4.340 0.052 0.000 0.205 129 Q C 2.195 178.205 176.000 0.017 0.000 0.970 129 Q CA 0.549 56.391 55.803 0.066 0.000 0.876 129 Q CB 0.172 28.948 28.738 0.063 0.000 0.935 129 Q HN 0.438 nan 8.270 nan 0.000 0.455 130 L N -0.211 121.027 121.223 0.025 0.000 2.007 130 L HA -0.146 4.225 4.340 0.052 0.000 0.205 130 L C 2.205 179.094 176.870 0.030 0.000 1.073 130 L CA 1.181 56.029 54.840 0.014 0.000 0.744 130 L CB -0.315 41.752 42.059 0.014 0.000 0.898 130 L HN 0.235 nan 8.230 nan 0.000 0.435 131 V N -2.365 117.571 119.914 0.037 0.000 2.594 131 V HA -0.163 3.988 4.120 0.052 0.000 0.253 131 V C 2.357 178.499 176.094 0.080 0.000 1.069 131 V CA 1.540 63.870 62.300 0.050 0.000 1.082 131 V CB -1.419 30.425 31.823 0.036 0.000 0.680 131 V HN 0.424 nan 8.190 nan 0.000 0.469 132 A N 0.723 123.568 122.820 0.042 0.000 1.897 132 A HA 0.233 4.584 4.320 0.052 0.000 0.215 132 A C 2.484 180.037 177.584 -0.051 0.000 1.181 132 A CA 1.885 53.933 52.037 0.018 0.000 0.620 132 A CB -1.025 17.986 19.000 0.018 0.000 0.821 132 A HN 0.961 nan 8.150 nan 0.000 0.443 133 A N -1.837 120.875 122.820 -0.180 0.000 2.015 133 A HA -0.061 4.291 4.320 0.052 0.000 0.219 133 A C 2.067 179.474 177.584 -0.295 0.000 1.163 133 A CA 1.514 53.203 52.037 -0.579 0.000 0.646 133 A CB -0.681 17.791 19.000 -0.880 0.000 0.806 133 A HN 0.661 nan 8.150 nan 0.000 0.448 134 Y N 0.743 120.975 120.300 -0.115 0.000 2.133 134 Y HA -0.142 4.439 4.550 0.053 0.000 0.287 134 Y C 2.259 178.231 175.900 0.120 0.000 1.134 134 Y CA 2.170 60.332 58.100 0.104 0.000 1.133 134 Y CB -0.078 38.435 38.460 0.089 0.000 0.987 134 Y HN 0.225 nan 8.280 nan 0.000 0.502 135 K N -0.147 120.385 120.400 0.220 0.000 2.147 135 K HA -0.198 4.153 4.320 0.052 0.000 0.205 135 K C 1.844 178.466 176.600 0.038 0.000 1.049 135 K CA 1.468 57.837 56.287 0.136 0.000 0.936 135 K CB -0.257 32.314 32.500 0.119 0.000 0.722 135 K HN 0.513 nan 8.250 nan 0.000 0.446 136 D N 0.886 121.284 120.400 -0.004 0.000 2.110 136 D HA -0.076 4.595 4.640 0.052 0.000 0.202 136 D C 1.818 178.081 176.300 -0.061 0.000 0.975 136 D CA 1.001 55.002 54.000 0.002 0.000 0.839 136 D CB 0.173 41.015 40.800 0.070 0.000 0.996 136 D HN 0.092 nan 8.370 nan 0.000 0.464 137 A N -0.769 121.942 122.820 -0.182 0.000 2.067 137 A HA -0.117 4.234 4.320 0.052 0.000 0.219 137 A C 1.017 178.093 177.584 -0.847 0.000 1.158 137 A CA 1.099 52.843 52.037 -0.488 0.000 0.661 137 A CB -0.463 18.124 19.000 -0.688 0.000 0.801 137 A HN 0.458 nan 8.150 nan 0.000 0.452 138 Y N -1.610 118.592 120.300 -0.163 0.000 2.610 138 Y HA 0.244 4.826 4.550 0.053 0.000 0.254 138 Y C 0.138 175.963 175.900 -0.125 0.000 1.110 138 Y CA -0.316 57.663 58.100 -0.202 0.000 1.238 138 Y CB 0.084 38.282 38.460 -0.436 0.000 1.322 138 Y HN 0.392 nan 8.280 nan 0.000 0.547 139 E N 1.119 121.331 120.200 0.021 0.000 2.297 139 E HA -0.245 4.136 4.350 0.052 0.000 0.228 139 E C -0.348 176.300 176.600 0.079 0.000 1.213 139 E CA 0.461 56.889 56.400 0.046 0.000 0.712 139 E CB -1.211 28.509 29.700 0.032 0.000 1.202 139 E HN 0.509 nan 8.360 nan 0.000 0.376 140 R N 0.299 120.872 120.500 0.121 0.000 2.771 140 R HA 0.285 4.656 4.340 0.052 0.000 0.274 140 R C -0.858 175.628 176.300 0.310 0.000 0.987 140 R CA -1.013 55.202 56.100 0.191 0.000 0.908 140 R CB 1.367 31.787 30.300 0.200 0.000 1.213 140 R HN -0.046 nan 8.270 nan 0.000 0.468 141 D N 2.159 122.695 120.400 0.225 0.000 2.316 141 D HA 0.027 4.698 4.640 0.052 0.000 0.245 141 D C 0.724 177.081 176.300 0.095 0.000 1.171 141 D CA -0.353 53.741 54.000 0.158 0.000 0.856 141 D CB 1.293 42.142 40.800 0.082 0.000 1.090 141 D HN 0.244 nan 8.370 nan 0.000 0.476 142 L N 4.407 125.602 121.223 -0.047 0.000 2.046 142 L HA -0.052 4.319 4.340 0.052 0.000 0.208 142 L C 1.833 178.570 176.870 -0.221 0.000 1.077 142 L CA 1.822 56.404 54.840 -0.430 0.000 0.747 142 L CB -0.686 41.045 42.059 -0.547 0.000 0.896 142 L HN 0.616 nan 8.230 nan 0.000 0.432 143 E N -0.911 119.225 120.200 -0.106 0.000 2.077 143 E HA -0.206 4.175 4.350 0.052 0.000 0.193 143 E C 2.078 178.653 176.600 -0.041 0.000 0.989 143 E CA 1.090 57.451 56.400 -0.066 0.000 0.800 143 E CB -0.026 29.655 29.700 -0.032 0.000 0.746 143 E HN 0.599 nan 8.360 nan 0.000 0.452 144 A N 1.384 124.194 122.820 -0.017 0.000 1.902 144 A HA -0.203 4.149 4.320 0.052 0.000 0.217 144 A C 1.718 179.304 177.584 0.002 0.000 1.181 144 A CA 1.814 53.853 52.037 0.003 0.000 0.623 144 A CB -0.379 18.636 19.000 0.025 0.000 0.818 144 A HN 0.184 nan 8.150 nan 0.000 0.443 145 D N 0.071 120.468 120.400 -0.004 0.000 2.117 145 D HA -0.110 4.561 4.640 0.052 0.000 0.198 145 D C 1.898 178.186 176.300 -0.019 0.000 0.982 145 D CA 0.888 54.890 54.000 0.004 0.000 0.828 145 D CB -0.275 40.536 40.800 0.018 0.000 0.967 145 D HN 0.329 nan 8.370 nan 0.000 0.464 146 I N 1.066 121.601 120.570 -0.059 0.000 2.142 146 I HA -0.196 4.006 4.170 0.052 0.000 0.240 146 I C 2.167 178.279 176.117 -0.008 0.000 1.078 146 I CA 1.204 62.478 61.300 -0.043 0.000 1.343 146 I CB -1.211 36.741 38.000 -0.080 0.000 1.046 146 I HN 0.013 nan 8.210 nan 0.000 0.405 147 T N 0.615 115.160 114.554 -0.014 0.000 2.849 147 T HA -0.117 4.265 4.350 0.052 0.000 0.270 147 T C 1.568 176.275 174.700 0.011 0.000 1.066 147 T CA 1.445 63.545 62.100 -0.000 0.000 1.130 147 T CB -0.485 68.380 68.868 -0.004 0.000 0.864 147 T HN 0.555 nan 8.240 nan 0.000 0.481 148 G N -0.217 108.590 108.800 0.012 0.000 3.284 148 G HA2 0.175 4.167 3.960 0.052 0.000 0.236 148 G HA3 0.175 4.167 3.960 0.052 0.000 0.236 148 G C 0.411 175.325 174.900 0.024 0.000 1.158 148 G CA -0.108 45.002 45.100 0.017 0.000 0.774 148 G HN 0.374 nan 8.290 nan 0.000 0.545 149 D N -0.665 119.755 120.400 0.033 0.000 2.525 149 D HA 0.157 4.828 4.640 0.052 0.000 0.231 149 D C 0.685 177.029 176.300 0.073 0.000 1.216 149 D CA 0.265 54.291 54.000 0.044 0.000 0.813 149 D CB 1.216 42.041 40.800 0.042 0.000 1.108 149 D HN 0.281 nan 8.370 nan 0.000 0.524 150 T N -2.039 112.568 114.554 0.089 0.000 2.896 150 T HA 0.801 5.182 4.350 0.052 0.000 0.297 150 T C -0.452 174.315 174.700 0.111 0.000 1.108 150 T CA -0.706 61.490 62.100 0.160 0.000 1.004 150 T CB 2.121 71.153 68.868 0.274 0.000 1.159 150 T HN -0.127 nan 8.240 nan 0.000 0.499 151 S N -0.157 115.614 115.700 0.118 0.000 2.595 151 S HA 0.950 5.452 4.470 0.052 0.000 0.281 151 S C 0.506 175.120 174.600 0.022 0.000 1.117 151 S CA -0.421 57.804 58.200 0.041 0.000 0.873 151 S CB 1.171 64.369 63.200 -0.004 0.000 1.108 151 S HN 2.226 nan 8.310 nan 0.000 0.477 152 G N 1.006 109.759 108.800 -0.079 0.000 2.693 152 G HA2 -0.225 3.766 3.960 0.052 0.000 0.226 152 G HA3 -0.225 3.766 3.960 0.052 0.000 0.226 152 G C 0.074 174.846 174.900 -0.213 0.000 1.354 152 G CA 0.416 45.371 45.100 -0.242 0.000 0.873 152 G HN 1.034 nan 8.290 nan 0.000 0.562 153 H N -0.925 117.998 119.070 -0.244 0.000 2.460 153 H HA -0.029 4.557 4.556 0.050 0.000 0.297 153 H C 2.203 177.428 175.328 -0.171 0.000 1.103 153 H CA 2.040 57.807 56.048 -0.468 0.000 1.292 153 H CB -0.046 28.933 29.762 -1.306 0.000 1.376 153 H HN 0.422 nan 8.280 nan 0.000 0.531 154 F N 1.942 121.902 119.950 0.017 0.000 2.102 154 F HA -0.197 4.360 4.527 0.051 0.000 0.298 154 F C 2.709 178.597 175.800 0.148 0.000 1.105 154 F CA 1.466 59.628 58.000 0.271 0.000 1.239 154 F CB -0.153 38.959 39.000 0.187 0.000 0.991 154 F HN -0.068 nan 8.300 nan 0.000 0.474 155 R N 0.824 121.407 120.500 0.138 0.000 2.081 155 R HA -0.179 4.192 4.340 0.052 0.000 0.235 155 R C 2.282 178.564 176.300 -0.031 0.000 1.131 155 R CA 1.717 57.828 56.100 0.020 0.000 0.960 155 R CB -0.405 29.928 30.300 0.056 0.000 0.856 155 R HN 0.286 nan 8.270 nan 0.000 0.436 156 K N 0.080 120.488 120.400 0.012 0.000 1.978 156 K HA -0.199 4.152 4.320 0.052 0.000 0.214 156 K C 2.150 178.769 176.600 0.031 0.000 1.049 156 K CA 1.945 58.250 56.287 0.029 0.000 0.939 156 K CB -0.282 32.255 32.500 0.061 0.000 0.721 156 K HN 0.073 nan 8.250 nan 0.000 0.441 157 M N 1.466 121.121 119.600 0.092 0.000 2.108 157 M HA -0.184 4.328 4.480 0.052 0.000 0.257 157 M C 1.768 178.034 176.300 -0.058 0.000 1.071 157 M CA 1.524 56.874 55.300 0.083 0.000 1.093 157 M CB -0.477 32.250 32.600 0.211 0.000 1.345 157 M HN 0.172 nan 8.290 nan 0.000 0.403 158 L N -1.813 119.308 121.223 -0.170 0.000 2.017 158 L HA -0.224 4.147 4.340 0.052 0.000 0.208 158 L C 2.308 179.110 176.870 -0.114 0.000 1.073 158 L CA 1.132 55.844 54.840 -0.212 0.000 0.745 158 L CB -0.874 40.990 42.059 -0.325 0.000 0.894 158 L HN 0.126 nan 8.230 nan 0.000 0.432 159 V N -0.490 119.378 119.914 -0.077 0.000 2.407 159 V HA -0.236 3.915 4.120 0.052 0.000 0.248 159 V C 2.443 178.521 176.094 -0.027 0.000 1.055 159 V CA 1.332 63.606 62.300 -0.044 0.000 1.049 159 V CB 0.035 31.845 31.823 -0.023 0.000 0.662 159 V HN 0.203 nan 8.190 nan 0.000 0.455 160 V N -0.185 119.720 119.914 -0.015 0.000 2.343 160 V HA -0.256 3.895 4.120 0.052 0.000 0.247 160 V C 2.217 178.296 176.094 -0.026 0.000 1.051 160 V CA 1.944 64.242 62.300 -0.003 0.000 1.036 160 V CB -0.562 31.272 31.823 0.019 0.000 0.654 160 V HN 0.466 nan 8.190 nan 0.000 0.451 161 L N -1.083 120.111 121.223 -0.047 0.000 2.291 161 L HA -0.110 4.261 4.340 0.052 0.000 0.214 161 L C 2.309 179.140 176.870 -0.064 0.000 1.120 161 L CA 0.677 55.478 54.840 -0.065 0.000 0.799 161 L CB -0.431 41.579 42.059 -0.082 0.000 0.925 161 L HN 0.295 nan 8.230 nan 0.000 0.446 162 L N -0.507 120.684 121.223 -0.054 0.000 2.156 162 L HA -0.139 4.232 4.340 0.052 0.000 0.208 162 L C 2.614 179.479 176.870 -0.008 0.000 1.095 162 L CA 1.446 56.260 54.840 -0.043 0.000 0.770 162 L CB -0.544 41.486 42.059 -0.048 0.000 0.914 162 L HN 0.250 nan 8.230 nan 0.000 0.439 163 Q N 0.090 119.893 119.800 0.005 0.000 2.226 163 Q HA -0.008 4.363 4.340 0.052 0.000 0.204 163 Q C 1.485 177.536 176.000 0.085 0.000 0.975 163 Q CA 0.901 56.736 55.803 0.053 0.000 0.866 163 Q CB -0.796 27.965 28.738 0.038 0.000 0.915 163 Q HN 0.526 nan 8.270 nan 0.000 0.440 164 G N 1.861 110.637 108.800 -0.039 0.000 2.366 164 G HA2 -0.280 3.712 3.960 0.052 0.000 0.299 164 G HA3 -0.280 3.712 3.960 0.052 0.000 0.299 164 G C 0.374 175.240 174.900 -0.057 0.000 1.020 164 G CA 0.945 45.936 45.100 -0.183 0.000 1.026 164 G HN 0.444 nan 8.290 nan 0.000 0.512 165 T N -2.909 111.646 114.554 0.002 0.000 3.331 165 T HA 0.416 4.797 4.350 0.052 0.000 0.282 165 T C 0.684 175.370 174.700 -0.023 0.000 1.010 165 T CA -0.063 62.054 62.100 0.030 0.000 0.928 165 T CB 0.430 69.326 68.868 0.047 0.000 1.154 165 T HN 0.697 nan 8.240 nan 0.000 0.516 166 R N 2.004 122.471 120.500 -0.055 0.000 2.442 166 R HA 0.117 4.488 4.340 0.052 0.000 0.291 166 R C -0.600 175.655 176.300 -0.074 0.000 1.069 166 R CA -0.170 55.880 56.100 -0.082 0.000 1.022 166 R CB 0.301 30.546 30.300 -0.093 0.000 0.976 166 R HN 0.428 nan 8.270 nan 0.000 0.443 167 E N 3.204 123.347 120.200 -0.094 0.000 2.585 167 E HA -0.097 4.284 4.350 0.052 0.000 0.252 167 E C -0.451 176.106 176.600 -0.072 0.000 0.981 167 E CA 0.511 56.861 56.400 -0.083 0.000 0.943 167 E CB 0.449 30.078 29.700 -0.118 0.000 0.923 167 E HN 0.414 nan 8.360 nan 0.000 0.486 168 E N 2.842 123.014 120.200 -0.047 0.000 2.313 168 E HA 0.065 4.446 4.350 0.052 0.000 0.272 168 E C -0.507 176.074 176.600 -0.032 0.000 1.038 168 E CA -0.634 55.744 56.400 -0.037 0.000 0.863 168 E CB 0.685 30.373 29.700 -0.021 0.000 1.060 168 E HN 0.356 nan 8.360 nan 0.000 0.402 169 D N 2.469 122.852 120.400 -0.028 0.000 2.908 169 D HA -0.091 4.580 4.640 0.052 0.000 0.215 169 D C 0.159 176.451 176.300 -0.013 0.000 1.095 169 D CA 1.448 55.436 54.000 -0.019 0.000 0.812 169 D CB 0.341 41.132 40.800 -0.016 0.000 1.180 169 D HN 0.413 nan 8.370 nan 0.000 0.512 170 D N -1.563 118.831 120.400 -0.009 0.000 3.182 170 D HA 0.110 4.781 4.640 0.052 0.000 0.352 170 D C -1.093 175.208 176.300 0.001 0.000 1.421 170 D CA -0.689 53.307 54.000 -0.005 0.000 0.912 170 D CB 0.187 40.981 40.800 -0.009 0.000 1.461 170 D HN 0.141 nan 8.370 nan 0.000 0.548 171 V N 0.848 120.764 119.914 0.003 0.000 2.508 171 V HA 0.254 4.405 4.120 0.052 0.000 0.281 171 V C 0.547 176.653 176.094 0.019 0.000 1.041 171 V CA -0.584 61.720 62.300 0.006 0.000 1.016 171 V CB 1.081 32.906 31.823 0.004 0.000 0.984 171 V HN 0.390 nan 8.190 nan 0.000 0.478 172 V N 4.942 124.869 119.914 0.022 0.000 2.637 172 V HA 0.130 4.282 4.120 0.052 0.000 0.296 172 V C 0.759 176.878 176.094 0.041 0.000 1.046 172 V CA 0.250 62.578 62.300 0.047 0.000 1.066 172 V CB 1.739 33.563 31.823 0.001 0.000 0.968 172 V HN 0.943 nan 8.190 nan 0.000 0.483 173 S N 3.079 118.827 115.700 0.079 0.000 2.543 173 S HA 0.227 4.728 4.470 0.052 0.000 0.299 173 S C 0.928 175.554 174.600 0.044 0.000 1.125 173 S CA -0.606 57.627 58.200 0.055 0.000 1.098 173 S CB 0.505 63.741 63.200 0.061 0.000 1.063 173 S HN 0.783 nan 8.310 nan 0.000 0.493 174 E N 3.147 123.352 120.200 0.008 0.000 2.301 174 E HA -0.177 4.204 4.350 0.052 0.000 0.202 174 E C 1.111 177.714 176.600 0.004 0.000 1.017 174 E CA 1.581 57.974 56.400 -0.012 0.000 0.831 174 E CB 0.025 29.717 29.700 -0.014 0.000 0.742 174 E HN 0.710 nan 8.360 nan 0.000 0.491 175 D N -1.090 119.323 120.400 0.022 0.000 2.123 175 D HA -0.109 4.562 4.640 0.052 0.000 0.200 175 D C 1.720 178.049 176.300 0.048 0.000 0.976 175 D CA 0.562 54.578 54.000 0.028 0.000 0.831 175 D CB -0.086 40.730 40.800 0.026 0.000 0.974 175 D HN 0.198 nan 8.370 nan 0.000 0.469 176 L N 0.124 121.396 121.223 0.081 0.000 2.179 176 L HA -0.029 4.342 4.340 0.052 0.000 0.208 176 L C 2.113 179.093 176.870 0.183 0.000 1.096 176 L CA 0.988 55.908 54.840 0.133 0.000 0.779 176 L CB -0.313 41.837 42.059 0.153 0.000 0.922 176 L HN -0.148 nan 8.230 nan 0.000 0.443 177 V N -0.549 119.428 119.914 0.103 0.000 2.261 177 V HA -0.283 3.868 4.120 0.052 0.000 0.246 177 V C 2.668 178.747 176.094 -0.024 0.000 1.047 177 V CA 1.779 64.011 62.300 -0.113 0.000 1.015 177 V CB -0.621 31.048 31.823 -0.255 0.000 0.642 177 V HN 0.488 nan 8.190 nan 0.000 0.446 178 Q N -0.409 119.389 119.800 -0.003 0.000 2.170 178 Q HA -0.210 4.161 4.340 0.052 0.000 0.203 178 Q C 2.264 178.287 176.000 0.038 0.000 0.976 178 Q CA 1.549 57.358 55.803 0.010 0.000 0.858 178 Q CB -0.388 28.352 28.738 0.002 0.000 0.907 178 Q HN 0.702 nan 8.270 nan 0.000 0.433 179 Q N 0.162 119.993 119.800 0.053 0.000 2.167 179 Q HA -0.154 4.217 4.340 0.052 0.000 0.202 179 Q C 0.758 176.807 176.000 0.081 0.000 0.970 179 Q CA 1.279 57.120 55.803 0.064 0.000 0.855 179 Q CB 0.245 29.022 28.738 0.065 0.000 0.911 179 Q HN 0.285 nan 8.270 nan 0.000 0.438 180 D N -0.420 120.038 120.400 0.096 0.000 2.194 180 D HA -0.073 4.598 4.640 0.052 0.000 0.204 180 D C 1.989 178.350 176.300 0.102 0.000 0.964 180 D CA 0.559 54.618 54.000 0.099 0.000 0.846 180 D CB 0.127 41.017 40.800 0.150 0.000 0.962 180 D HN 0.076 nan 8.370 nan 0.000 0.490 181 V N 0.650 120.634 119.914 0.117 0.000 2.295 181 V HA -0.246 3.905 4.120 0.052 0.000 0.246 181 V C 2.445 178.675 176.094 0.228 0.000 1.049 181 V CA 1.556 63.975 62.300 0.198 0.000 1.024 181 V CB -0.391 31.505 31.823 0.121 0.000 0.648 181 V HN 0.085 nan 8.190 nan 0.000 0.447 182 Q N -0.236 119.648 119.800 0.141 0.000 2.079 182 Q HA -0.158 4.213 4.340 0.052 0.000 0.200 182 Q C 1.943 178.067 176.000 0.207 0.000 0.974 182 Q CA 1.634 57.538 55.803 0.170 0.000 0.840 182 Q CB -0.510 28.289 28.738 0.102 0.000 0.898 182 Q HN 0.612 nan 8.270 nan 0.000 0.430 183 D N -0.829 119.653 120.400 0.137 0.000 2.116 183 D HA -0.160 4.511 4.640 0.052 0.000 0.193 183 D C 1.477 177.830 176.300 0.089 0.000 0.998 183 D CA 0.767 54.827 54.000 0.100 0.000 0.836 183 D CB -0.040 40.799 40.800 0.065 0.000 0.951 183 D HN 0.138 nan 8.370 nan 0.000 0.449 184 L N -0.206 121.053 121.223 0.061 0.000 2.027 184 L HA -0.150 4.222 4.340 0.052 0.000 0.206 184 L C 2.162 179.201 176.870 0.282 0.000 1.074 184 L CA 1.356 56.152 54.840 -0.072 0.000 0.745 184 L CB -1.408 40.540 42.059 -0.185 0.000 0.898 184 L HN 0.150 nan 8.230 nan 0.000 0.433 185 Y N 1.246 121.745 120.300 0.331 0.000 2.081 185 Y HA -0.290 4.290 4.550 0.050 0.000 0.280 185 Y C 2.536 178.574 175.900 0.230 0.000 1.163 185 Y CA 2.161 60.473 58.100 0.353 0.000 1.135 185 Y CB -0.116 38.445 38.460 0.167 0.000 0.970 185 Y HN 0.381 nan 8.280 nan 0.000 0.498 186 E N -0.545 119.760 120.200 0.174 0.000 2.107 186 E HA -0.122 4.260 4.350 0.052 0.000 0.191 186 E C 2.254 178.905 176.600 0.085 0.000 0.982 186 E CA 0.846 57.282 56.400 0.059 0.000 0.809 186 E CB -0.343 29.423 29.700 0.110 0.000 0.756 186 E HN 0.520 nan 8.360 nan 0.000 0.459 187 A N 0.982 123.902 122.820 0.168 0.000 2.168 187 A HA 0.063 4.414 4.320 0.052 0.000 0.215 187 A C 1.777 179.553 177.584 0.320 0.000 1.152 187 A CA 1.404 53.583 52.037 0.236 0.000 0.716 187 A CB -0.117 19.046 19.000 0.273 0.000 0.794 187 A HN 0.325 nan 8.150 nan 0.000 0.465 188 G N -1.165 107.820 108.800 0.308 0.000 2.449 188 G HA2 0.228 4.220 3.960 0.052 0.000 0.192 188 G HA3 0.228 4.220 3.960 0.052 0.000 0.192 188 G C 1.012 175.954 174.900 0.071 0.000 1.776 188 G CA 0.750 45.976 45.100 0.210 0.000 0.699 188 G HN 0.240 nan 8.290 nan 0.000 0.745 189 E N 0.051 120.290 120.200 0.064 0.000 2.136 189 E HA -0.161 4.221 4.350 0.052 0.000 0.202 189 E C 2.027 178.517 176.600 -0.183 0.000 1.019 189 E CA 1.108 57.475 56.400 -0.055 0.000 0.819 189 E CB -0.361 29.301 29.700 -0.063 0.000 0.739 189 E HN 0.196 nan 8.360 nan 0.000 0.458 190 L N 0.264 121.297 121.223 -0.316 0.000 2.650 190 L HA 0.111 4.482 4.340 0.052 0.000 0.235 190 L C -0.123 176.712 176.870 -0.058 0.000 1.149 190 L CA 0.860 55.563 54.840 -0.229 0.000 0.887 190 L CB -0.257 41.634 42.059 -0.279 0.000 1.021 190 L HN -0.043 nan 8.230 nan 0.000 0.441 191 K N -2.176 118.223 120.400 -0.000 0.000 2.480 191 K HA 0.198 4.549 4.320 0.052 0.000 0.258 191 K C -1.236 175.463 176.600 0.165 0.000 0.990 191 K CA -0.684 55.651 56.287 0.081 0.000 0.857 191 K CB 1.235 33.781 32.500 0.076 0.000 1.384 191 K HN -0.163 nan 8.250 nan 0.000 0.446 192 W N 2.199 123.490 121.300 -0.016 0.000 2.365 192 W HA 0.407 5.094 4.660 0.045 0.000 0.371 192 W C 0.286 176.797 176.519 -0.012 0.000 1.006 192 W CA 0.471 57.809 57.345 -0.013 0.000 1.528 192 W CB -1.035 28.421 29.460 -0.007 0.000 1.497 192 W HN 0.881 nan 8.180 nan 0.000 0.367 193 G N 2.709 111.663 108.800 0.256 0.000 2.342 193 G HA2 0.118 4.110 3.960 0.052 0.000 0.220 193 G HA3 0.118 4.110 3.960 0.052 0.000 0.220 193 G C -1.026 173.890 174.900 0.027 0.000 1.243 193 G CA -0.494 44.653 45.100 0.078 0.000 1.083 193 G HN 0.419 nan 8.290 nan 0.000 0.500 194 T N 0.178 114.717 114.554 -0.025 0.000 2.982 194 T HA 0.490 4.871 4.350 0.052 0.000 0.321 194 T C -1.577 173.103 174.700 -0.033 0.000 1.229 194 T CA -0.452 61.609 62.100 -0.065 0.000 1.044 194 T CB 2.116 70.846 68.868 -0.231 0.000 1.184 194 T HN 0.694 nan 8.240 nan 0.000 0.477 195 D N 1.862 122.300 120.400 0.064 0.000 2.470 195 D HA 0.178 4.849 4.640 0.052 0.000 0.226 195 D C 0.981 177.362 176.300 0.135 0.000 1.196 195 D CA -0.110 53.948 54.000 0.097 0.000 0.979 195 D CB 0.651 41.550 40.800 0.165 0.000 1.059 195 D HN 0.452 nan 8.370 nan 0.000 0.515 196 E N 1.774 121.951 120.200 -0.038 0.000 2.070 196 E HA -0.212 4.169 4.350 0.052 0.000 0.197 196 E C 2.003 178.652 176.600 0.082 0.000 1.004 196 E CA 1.678 58.054 56.400 -0.040 0.000 0.805 196 E CB -0.105 29.192 29.700 -0.672 0.000 0.744 196 E HN 0.528 nan 8.360 nan 0.000 0.451 197 A N 0.790 123.614 122.820 0.007 0.000 1.978 197 A HA -0.260 4.092 4.320 0.052 0.000 0.220 197 A C 2.143 179.816 177.584 0.148 0.000 1.170 197 A CA 1.385 53.462 52.037 0.068 0.000 0.636 197 A CB -0.338 18.676 19.000 0.024 0.000 0.810 197 A HN 0.113 nan 8.150 nan 0.000 0.448 198 Q N -1.132 118.776 119.800 0.181 0.000 1.994 198 Q HA -0.091 4.280 4.340 0.052 0.000 0.198 198 Q C 1.858 177.996 176.000 0.231 0.000 0.976 198 Q CA 1.445 57.366 55.803 0.196 0.000 0.828 198 Q CB -0.425 28.429 28.738 0.193 0.000 0.894 198 Q HN 0.656 nan 8.270 nan 0.000 0.432 199 F N 0.656 120.673 119.950 0.113 0.000 2.171 199 F HA -0.152 4.410 4.527 0.059 0.000 0.300 199 F C 2.318 178.183 175.800 0.107 0.000 1.090 199 F CA 0.768 58.828 58.000 0.099 0.000 1.293 199 F CB -0.381 38.660 39.000 0.069 0.000 1.013 199 F HN 0.057 nan 8.300 nan 0.000 0.486 200 I N -1.510 119.259 120.570 0.331 0.000 2.226 200 I HA -0.349 3.853 4.170 0.052 0.000 0.245 200 I C 2.350 178.569 176.117 0.170 0.000 1.100 200 I CA 1.402 62.847 61.300 0.243 0.000 1.374 200 I CB -0.517 37.636 38.000 0.255 0.000 1.057 200 I HN 0.123 nan 8.210 nan 0.000 0.413 201 Y N 1.657 121.997 120.300 0.068 0.000 2.114 201 Y HA -0.225 4.356 4.550 0.051 0.000 0.284 201 Y C 2.285 178.183 175.900 -0.004 0.000 1.143 201 Y CA 1.696 59.810 58.100 0.024 0.000 1.135 201 Y CB -0.231 38.239 38.460 0.015 0.000 0.980 201 Y HN 0.005 nan 8.280 nan 0.000 0.499 202 I N -0.261 120.258 120.570 -0.085 0.000 2.193 202 I HA -0.278 3.923 4.170 0.052 0.000 0.240 202 I C 2.153 178.178 176.117 -0.155 0.000 1.084 202 I CA 1.129 62.311 61.300 -0.198 0.000 1.365 202 I CB -0.483 37.471 38.000 -0.076 0.000 1.064 202 I HN 0.171 nan 8.210 nan 0.000 0.410 203 L N 0.667 121.861 121.223 -0.049 0.000 2.633 203 L HA -0.065 4.306 4.340 0.052 0.000 0.235 203 L C 2.018 178.867 176.870 -0.035 0.000 1.163 203 L CA 0.941 55.785 54.840 0.007 0.000 0.859 203 L CB -0.694 41.427 42.059 0.103 0.000 0.973 203 L HN 0.378 nan 8.230 nan 0.000 0.451 204 G N -1.818 106.934 108.800 -0.081 0.000 2.833 204 G HA2 -0.020 3.972 3.960 0.052 0.000 0.214 204 G HA3 -0.020 3.972 3.960 0.052 0.000 0.214 204 G C 1.249 176.059 174.900 -0.149 0.000 1.075 204 G CA -0.190 44.858 45.100 -0.088 0.000 0.799 204 G HN 0.190 nan 8.290 nan 0.000 0.541 205 N N -0.031 118.515 118.700 -0.257 0.000 2.571 205 N HA 0.082 4.854 4.740 0.052 0.000 0.195 205 N C 0.422 175.771 175.510 -0.269 0.000 1.040 205 N CA -0.165 52.707 53.050 -0.297 0.000 0.890 205 N CB 0.428 38.605 38.487 -0.517 0.000 1.233 205 N HN -0.018 nan 8.380 nan 0.000 0.435 206 R N 2.413 122.725 120.500 -0.314 0.000 2.697 206 R HA 0.016 4.387 4.340 0.052 0.000 0.265 206 R C 0.709 176.892 176.300 -0.196 0.000 1.009 206 R CA 0.104 56.020 56.100 -0.306 0.000 1.099 206 R CB -0.184 29.930 30.300 -0.311 0.000 0.965 206 R HN 0.272 nan 8.270 nan 0.000 0.428 207 S N 1.588 117.189 115.700 -0.165 0.000 2.584 207 S HA 0.073 4.574 4.470 0.052 0.000 0.270 207 S C 1.080 175.633 174.600 -0.079 0.000 1.346 207 S CA -0.574 57.570 58.200 -0.094 0.000 1.018 207 S CB 1.113 64.277 63.200 -0.060 0.000 0.899 207 S HN 0.425 nan 8.310 nan 0.000 0.542 208 K N 0.994 121.346 120.400 -0.081 0.000 2.097 208 K HA -0.185 4.166 4.320 0.052 0.000 0.206 208 K C 2.195 178.733 176.600 -0.104 0.000 1.049 208 K CA 1.469 57.697 56.287 -0.099 0.000 0.933 208 K CB -0.381 32.078 32.500 -0.069 0.000 0.717 208 K HN 0.753 nan 8.250 nan 0.000 0.442 209 Q N 0.372 120.136 119.800 -0.060 0.000 2.124 209 Q HA -0.219 4.153 4.340 0.052 0.000 0.202 209 Q C 2.171 178.134 176.000 -0.062 0.000 0.977 209 Q CA 1.603 57.374 55.803 -0.053 0.000 0.850 209 Q CB -0.054 28.669 28.738 -0.026 0.000 0.901 209 Q HN 0.489 nan 8.270 nan 0.000 0.429 210 H N -0.104 118.881 119.070 -0.142 0.000 2.276 210 H HA -0.068 4.519 4.556 0.051 0.000 0.301 210 H C 2.047 177.236 175.328 -0.232 0.000 1.073 210 H CA 1.776 57.734 56.048 -0.150 0.000 1.311 210 H CB -0.225 29.458 29.762 -0.132 0.000 1.379 210 H HN 0.173 nan 8.280 nan 0.000 0.494 211 L N 0.088 121.223 121.223 -0.147 0.000 2.043 211 L HA -0.215 4.156 4.340 0.052 0.000 0.212 211 L C 2.816 179.177 176.870 -0.848 0.000 1.075 211 L CA 1.618 56.144 54.840 -0.523 0.000 0.752 211 L CB -0.416 41.278 42.059 -0.608 0.000 0.891 211 L HN 0.291 nan 8.230 nan 0.000 0.432 212 R N -0.186 119.992 120.500 -0.538 0.000 2.117 212 R HA -0.167 4.205 4.340 0.052 0.000 0.243 212 R C 2.253 178.433 176.300 -0.199 0.000 1.143 212 R CA 1.366 57.269 56.100 -0.329 0.000 0.968 212 R CB -0.296 29.916 30.300 -0.146 0.000 0.863 212 R HN 0.323 nan 8.270 nan 0.000 0.444 213 L N -0.384 120.706 121.223 -0.223 0.000 2.240 213 L HA -0.095 4.277 4.340 0.052 0.000 0.211 213 L C 2.061 178.839 176.870 -0.153 0.000 1.106 213 L CA 0.504 55.248 54.840 -0.160 0.000 0.793 213 L CB -0.063 41.882 42.059 -0.190 0.000 0.927 213 L HN 0.074 nan 8.230 nan 0.000 0.446 214 V N -0.661 119.099 119.914 -0.257 0.000 2.379 214 V HA -0.237 3.914 4.120 0.052 0.000 0.245 214 V C 2.322 178.501 176.094 0.142 0.000 1.044 214 V CA 1.518 63.742 62.300 -0.127 0.000 1.036 214 V CB -0.478 31.228 31.823 -0.195 0.000 0.664 214 V HN 0.221 nan 8.190 nan 0.000 0.453 215 F N 0.740 120.680 119.950 -0.017 0.000 2.134 215 F HA -0.127 4.438 4.527 0.064 0.000 0.299 215 F C 2.346 178.185 175.800 0.065 0.000 1.097 215 F CA 1.220 59.228 58.000 0.014 0.000 1.264 215 F CB -1.206 37.782 39.000 -0.019 0.000 1.001 215 F HN 0.249 nan 8.300 nan 0.000 0.479 216 D N -0.111 120.423 120.400 0.223 0.000 2.117 216 D HA -0.165 4.506 4.640 0.052 0.000 0.197 216 D C 2.202 178.571 176.300 0.114 0.000 0.987 216 D CA 1.224 55.308 54.000 0.139 0.000 0.829 216 D CB -0.257 40.591 40.800 0.081 0.000 0.961 216 D HN 0.231 nan 8.370 nan 0.000 0.460 217 E N -0.502 119.756 120.200 0.097 0.000 2.072 217 E HA -0.178 4.203 4.350 0.052 0.000 0.191 217 E C 1.988 178.639 176.600 0.085 0.000 0.985 217 E CA 0.752 57.188 56.400 0.060 0.000 0.801 217 E CB -0.417 29.299 29.700 0.026 0.000 0.750 217 E HN 0.360 nan 8.360 nan 0.000 0.452 218 Y N 0.070 120.393 120.300 0.039 0.000 2.165 218 Y HA -0.224 4.355 4.550 0.049 0.000 0.286 218 Y C 2.023 177.933 175.900 0.017 0.000 1.155 218 Y CA 1.872 59.994 58.100 0.037 0.000 1.164 218 Y CB -0.297 38.224 38.460 0.102 0.000 0.978 218 Y HN 0.245 nan 8.280 nan 0.000 0.513 219 L N 0.846 122.197 121.223 0.213 0.000 2.056 219 L HA -0.134 4.237 4.340 0.052 0.000 0.207 219 L C 2.316 179.193 176.870 0.011 0.000 1.078 219 L CA 1.850 56.758 54.840 0.114 0.000 0.749 219 L CB -0.872 41.262 42.059 0.125 0.000 0.901 219 L HN 0.090 nan 8.230 nan 0.000 0.433 220 K N -0.928 119.478 120.400 0.010 0.000 2.148 220 K HA -0.107 4.245 4.320 0.052 0.000 0.204 220 K C 1.709 178.268 176.600 -0.068 0.000 1.050 220 K CA 1.677 57.953 56.287 -0.017 0.000 0.942 220 K CB -0.050 32.449 32.500 -0.001 0.000 0.724 220 K HN 0.615 nan 8.250 nan 0.000 0.446 221 T N -3.490 110.990 114.554 -0.123 0.000 3.069 221 T HA 0.112 4.493 4.350 0.052 0.000 0.252 221 T C 1.461 175.973 174.700 -0.314 0.000 1.053 221 T CA 0.412 62.396 62.100 -0.192 0.000 0.964 221 T CB 0.597 69.344 68.868 -0.201 0.000 1.005 221 T HN -0.070 nan 8.240 nan 0.000 0.532 222 T N -0.175 114.176 114.554 -0.339 0.000 3.019 222 T HA 0.511 4.892 4.350 0.052 0.000 0.247 222 T C 1.602 176.207 174.700 -0.157 0.000 0.992 222 T CA 0.744 62.606 62.100 -0.396 0.000 1.036 222 T CB 0.120 68.563 68.868 -0.708 0.000 1.063 222 T HN 0.615 nan 8.240 nan 0.000 0.476 223 G N 1.980 110.727 108.800 -0.089 0.000 2.238 223 G HA2 -0.164 3.827 3.960 0.052 0.000 0.217 223 G HA3 -0.164 3.827 3.960 0.052 0.000 0.217 223 G C -0.053 174.864 174.900 0.029 0.000 0.996 223 G CA 0.112 45.202 45.100 -0.018 0.000 0.632 223 G HN 0.637 nan 8.290 nan 0.000 0.503 224 K N 0.624 121.062 120.400 0.063 0.000 2.469 224 K HA 0.711 5.062 4.320 0.052 0.000 0.254 224 K C -3.161 173.569 176.600 0.216 0.000 0.939 224 K CA -2.346 54.013 56.287 0.121 0.000 0.812 224 K CB 3.151 35.732 32.500 0.135 0.000 1.301 224 K HN 0.045 nan 8.250 nan 0.000 0.433 225 P HA 0.004 nan 4.420 nan 0.000 0.272 225 P C 0.606 177.943 177.300 0.063 0.000 1.223 225 P CA -0.458 62.703 63.100 0.103 0.000 0.784 225 P CB 0.659 32.357 31.700 -0.004 0.000 0.923 226 I N 1.910 122.373 120.570 -0.177 0.000 2.248 226 I HA -0.290 3.912 4.170 0.052 0.000 0.248 226 I C 2.111 178.079 176.117 -0.249 0.000 1.107 226 I CA 1.741 62.760 61.300 -0.468 0.000 1.373 226 I CB -0.625 36.927 38.000 -0.747 0.000 1.055 226 I HN 0.412 nan 8.210 nan 0.000 0.418 227 E N 0.780 120.840 120.200 -0.234 0.000 2.204 227 E HA -0.193 4.188 4.350 0.052 0.000 0.194 227 E C 2.086 178.637 176.600 -0.081 0.000 0.989 227 E CA 1.206 57.508 56.400 -0.163 0.000 0.824 227 E CB -0.689 28.915 29.700 -0.161 0.000 0.756 227 E HN 0.590 nan 8.360 nan 0.000 0.477 228 A N 1.542 124.343 122.820 -0.033 0.000 2.015 228 A HA -0.063 4.288 4.320 0.052 0.000 0.219 228 A C 2.297 179.905 177.584 0.039 0.000 1.163 228 A CA 1.388 53.435 52.037 0.017 0.000 0.646 228 A CB -0.265 18.769 19.000 0.056 0.000 0.806 228 A HN 0.219 nan 8.150 nan 0.000 0.448 229 S N -0.697 115.038 115.700 0.058 0.000 2.478 229 S HA 0.140 4.641 4.470 0.052 0.000 0.222 229 S C 1.611 176.197 174.600 -0.023 0.000 1.008 229 S CA 0.638 58.887 58.200 0.081 0.000 0.928 229 S CB -0.220 63.108 63.200 0.212 0.000 0.781 229 S HN 0.549 nan 8.310 nan 0.000 0.518 230 I N 0.692 121.211 120.570 -0.086 0.000 2.339 230 I HA 0.027 4.228 4.170 0.052 0.000 0.245 230 I C 1.122 177.173 176.117 -0.109 0.000 1.096 230 I CA 0.362 61.556 61.300 -0.176 0.000 1.408 230 I CB -0.022 37.852 38.000 -0.209 0.000 1.092 230 I HN -0.009 nan 8.210 nan 0.000 0.423 231 R N 1.329 121.787 120.500 -0.070 0.000 2.494 231 R HA 0.009 4.380 4.340 0.052 0.000 0.291 231 R C 1.125 177.417 176.300 -0.013 0.000 0.953 231 R CA 1.087 57.165 56.100 -0.037 0.000 1.098 231 R CB -0.067 30.219 30.300 -0.022 0.000 0.911 231 R HN 0.559 nan 8.270 nan 0.000 0.407 232 G N 2.641 111.441 108.800 0.000 0.000 2.245 232 G HA2 -0.286 3.705 3.960 0.052 0.000 0.264 232 G HA3 -0.286 3.705 3.960 0.052 0.000 0.264 232 G C 0.585 175.506 174.900 0.035 0.000 0.985 232 G CA 0.349 45.463 45.100 0.023 0.000 0.625 232 G HN 0.629 nan 8.290 nan 0.000 0.536 233 E N -0.211 119.994 120.200 0.009 0.000 2.481 233 E HA 0.430 4.811 4.350 0.052 0.000 0.198 233 E C 1.236 177.837 176.600 0.003 0.000 1.027 233 E CA 0.267 56.675 56.400 0.014 0.000 0.900 233 E CB 0.432 30.115 29.700 -0.027 0.000 0.993 233 E HN 0.622 nan 8.360 nan 0.000 0.482 234 L N -0.974 120.260 121.223 0.018 0.000 2.194 234 L HA 0.482 4.853 4.340 0.052 0.000 0.248 234 L C -0.101 176.829 176.870 0.099 0.000 1.071 234 L CA -0.902 53.987 54.840 0.081 0.000 0.901 234 L CB 1.928 44.036 42.059 0.082 0.000 1.497 234 L HN -0.174 nan 8.230 nan 0.000 0.442 235 S N -0.948 114.847 115.700 0.159 0.000 2.546 235 S HA 0.775 5.277 4.470 0.052 0.000 0.274 235 S C -0.183 174.489 174.600 0.120 0.000 1.121 235 S CA 0.206 58.471 58.200 0.110 0.000 0.887 235 S CB 1.604 64.851 63.200 0.079 0.000 1.094 235 S HN 1.299 nan 8.310 nan 0.000 0.474 236 G N 3.522 112.356 108.800 0.058 0.000 2.578 236 G HA2 -0.288 3.703 3.960 0.052 0.000 0.275 236 G HA3 -0.288 3.703 3.960 0.052 0.000 0.275 236 G C 0.244 175.153 174.900 0.015 0.000 1.271 236 G CA 0.683 45.793 45.100 0.017 0.000 0.941 236 G HN 0.816 nan 8.290 nan 0.000 0.564 237 D N -0.512 119.831 120.400 -0.096 0.000 2.221 237 D HA -0.078 4.593 4.640 0.052 0.000 0.204 237 D C 2.007 178.393 176.300 0.143 0.000 0.982 237 D CA 1.692 55.571 54.000 -0.201 0.000 0.857 237 D CB -0.177 40.093 40.800 -0.884 0.000 0.934 237 D HN 0.311 nan 8.370 nan 0.000 0.475 238 F N 1.754 121.785 119.950 0.136 0.000 2.102 238 F HA -0.152 4.407 4.527 0.054 0.000 0.298 238 F C 2.345 178.239 175.800 0.156 0.000 1.105 238 F CA 1.572 59.748 58.000 0.293 0.000 1.239 238 F CB -0.240 38.904 39.000 0.239 0.000 0.991 238 F HN -0.094 nan 8.300 nan 0.000 0.474 239 E N 0.246 120.482 120.200 0.061 0.000 2.058 239 E HA -0.283 4.099 4.350 0.052 0.000 0.194 239 E C 2.201 178.745 176.600 -0.094 0.000 0.997 239 E CA 1.869 58.222 56.400 -0.080 0.000 0.801 239 E CB -0.167 29.534 29.700 0.001 0.000 0.746 239 E HN 0.376 nan 8.360 nan 0.000 0.450 240 K N 0.005 120.402 120.400 -0.006 0.000 2.063 240 K HA -0.166 4.185 4.320 0.052 0.000 0.208 240 K C 2.161 178.773 176.600 0.019 0.000 1.048 240 K CA 1.341 57.640 56.287 0.020 0.000 0.928 240 K CB -0.290 32.244 32.500 0.056 0.000 0.713 240 K HN 0.153 nan 8.250 nan 0.000 0.442 241 L N 0.498 121.760 121.223 0.066 0.000 2.017 241 L HA -0.140 4.232 4.340 0.052 0.000 0.208 241 L C 1.876 178.657 176.870 -0.148 0.000 1.073 241 L CA 1.806 56.668 54.840 0.036 0.000 0.745 241 L CB -0.337 41.821 42.059 0.166 0.000 0.894 241 L HN 0.183 nan 8.230 nan 0.000 0.432 242 M N -1.271 118.144 119.600 -0.309 0.000 2.296 242 M HA -0.094 4.417 4.480 0.052 0.000 0.265 242 M C 2.084 178.259 176.300 -0.209 0.000 1.064 242 M CA 1.127 56.225 55.300 -0.336 0.000 1.109 242 M CB -1.050 31.212 32.600 -0.563 0.000 1.396 242 M HN 0.285 nan 8.290 nan 0.000 0.430 243 L N -0.151 120.968 121.223 -0.172 0.000 2.240 243 L HA 0.075 4.446 4.340 0.052 0.000 0.211 243 L C 2.495 179.290 176.870 -0.124 0.000 1.106 243 L CA 1.316 56.077 54.840 -0.131 0.000 0.793 243 L CB -1.266 40.742 42.059 -0.085 0.000 0.927 243 L HN 0.212 nan 8.230 nan 0.000 0.446 244 A N -1.359 121.380 122.820 -0.134 0.000 1.930 244 A HA -0.073 4.278 4.320 0.052 0.000 0.215 244 A C 2.296 179.628 177.584 -0.420 0.000 1.176 244 A CA 1.410 53.279 52.037 -0.280 0.000 0.632 244 A CB -0.641 18.233 19.000 -0.210 0.000 0.819 244 A HN 0.173 nan 8.150 nan 0.000 0.445 245 V N -0.318 119.440 119.914 -0.260 0.000 2.343 245 V HA -0.232 3.920 4.120 0.052 0.000 0.247 245 V C 2.553 178.572 176.094 -0.125 0.000 1.051 245 V CA 1.957 64.138 62.300 -0.199 0.000 1.036 245 V CB -0.863 30.887 31.823 -0.121 0.000 0.654 245 V HN 0.353 nan 8.190 nan 0.000 0.451 246 V N -0.314 119.542 119.914 -0.096 0.000 2.233 246 V HA -0.331 3.820 4.120 0.052 0.000 0.247 246 V C 2.476 178.551 176.094 -0.032 0.000 1.050 246 V CA 2.421 64.700 62.300 -0.034 0.000 1.010 246 V CB -0.661 31.017 31.823 -0.241 0.000 0.637 246 V HN 0.486 nan 8.190 nan 0.000 0.444 247 K N -0.802 119.524 120.400 -0.125 0.000 2.034 247 K HA -0.254 4.097 4.320 0.052 0.000 0.214 247 K C 2.178 178.709 176.600 -0.115 0.000 1.051 247 K CA 2.214 58.444 56.287 -0.095 0.000 0.931 247 K CB -0.661 31.811 32.500 -0.047 0.000 0.715 247 K HN 0.503 nan 8.250 nan 0.000 0.446 248 C N 0.270 119.406 119.300 -0.274 0.000 2.429 248 C HA -0.086 4.405 4.460 0.052 0.000 0.277 248 C C 2.451 177.385 174.990 -0.093 0.000 1.262 248 C CA 0.466 59.332 59.018 -0.254 0.000 1.733 248 C CB -0.715 26.793 27.740 -0.387 0.000 2.010 248 C HN 0.427 nan 8.230 nan 0.000 0.483 249 I N 0.066 120.616 120.570 -0.034 0.000 2.226 249 I HA -0.204 3.997 4.170 0.052 0.000 0.245 249 I C 2.864 179.006 176.117 0.041 0.000 1.100 249 I CA 1.452 62.761 61.300 0.015 0.000 1.374 249 I CB -0.447 37.604 38.000 0.084 0.000 1.057 249 I HN 0.305 nan 8.210 nan 0.000 0.413 250 R N -0.162 120.401 120.500 0.105 0.000 2.057 250 R HA -0.012 4.359 4.340 0.052 0.000 0.229 250 R C 0.474 176.798 176.300 0.040 0.000 1.136 250 R CA 1.205 57.366 56.100 0.101 0.000 0.952 250 R CB 0.213 30.586 30.300 0.122 0.000 0.848 250 R HN 0.187 nan 8.270 nan 0.000 0.430 251 S N -1.292 114.421 115.700 0.021 0.000 2.599 251 S HA 0.078 4.579 4.470 0.052 0.000 0.269 251 S C 0.261 174.876 174.600 0.024 0.000 1.135 251 S CA -0.468 57.745 58.200 0.022 0.000 1.027 251 S CB 1.396 64.607 63.200 0.018 0.000 1.129 251 S HN 0.405 nan 8.310 nan 0.000 0.458 252 T N 2.096 116.673 114.554 0.038 0.000 2.951 252 T HA 0.051 4.432 4.350 0.052 0.000 0.268 252 T C 2.037 176.840 174.700 0.172 0.000 1.073 252 T CA 1.041 63.166 62.100 0.042 0.000 1.134 252 T CB -0.380 68.581 68.868 0.154 0.000 0.884 252 T HN 0.709 nan 8.240 nan 0.000 0.479 253 A N 1.921 124.854 122.820 0.188 0.000 1.902 253 A HA -0.110 4.241 4.320 0.052 0.000 0.217 253 A C 2.326 180.016 177.584 0.177 0.000 1.181 253 A CA 1.793 53.960 52.037 0.217 0.000 0.623 253 A CB -0.794 18.279 19.000 0.121 0.000 0.818 253 A HN 0.661 nan 8.150 nan 0.000 0.443 254 E N -1.826 118.431 120.200 0.096 0.000 2.106 254 E HA -0.215 4.166 4.350 0.052 0.000 0.192 254 E C 1.809 178.444 176.600 0.058 0.000 0.984 254 E CA 1.170 57.602 56.400 0.053 0.000 0.806 254 E CB -0.318 29.382 29.700 -0.000 0.000 0.750 254 E HN 0.673 nan 8.360 nan 0.000 0.458 255 Y N 0.294 120.526 120.300 -0.114 0.000 2.097 255 Y HA -0.239 4.338 4.550 0.046 0.000 0.282 255 Y C 1.660 177.461 175.900 -0.166 0.000 1.152 255 Y CA 1.896 59.861 58.100 -0.224 0.000 1.136 255 Y CB -0.534 37.659 38.460 -0.446 0.000 0.975 255 Y HN 0.065 nan 8.280 nan 0.000 0.498 256 F N -0.102 119.852 119.950 0.007 0.000 2.365 256 F HA -0.036 4.525 4.527 0.057 0.000 0.300 256 F C 2.514 178.336 175.800 0.037 0.000 1.090 256 F CA 0.823 58.793 58.000 -0.050 0.000 1.408 256 F CB -1.260 37.776 39.000 0.059 0.000 1.060 256 F HN 0.164 nan 8.300 nan 0.000 0.534 257 A N 0.728 123.700 122.820 0.253 0.000 1.877 257 A HA -0.229 4.123 4.320 0.052 0.000 0.216 257 A C 2.223 179.981 177.584 0.290 0.000 1.186 257 A CA 1.934 54.178 52.037 0.346 0.000 0.620 257 A CB -0.812 18.338 19.000 0.251 0.000 0.822 257 A HN 0.532 nan 8.150 nan 0.000 0.443 258 E N -1.408 118.858 120.200 0.109 0.000 2.112 258 E HA -0.101 4.281 4.350 0.052 0.000 0.190 258 E C 2.035 178.627 176.600 -0.012 0.000 0.979 258 E CA 0.305 56.734 56.400 0.049 0.000 0.814 258 E CB -0.319 29.371 29.700 -0.017 0.000 0.762 258 E HN 0.296 nan 8.360 nan 0.000 0.460 259 R N 0.771 121.185 120.500 -0.142 0.000 2.105 259 R HA -0.064 4.308 4.340 0.052 0.000 0.239 259 R C 2.373 178.682 176.300 0.014 0.000 1.135 259 R CA 0.964 56.963 56.100 -0.168 0.000 0.967 259 R CB -0.580 29.505 30.300 -0.359 0.000 0.861 259 R HN 0.346 nan 8.270 nan 0.000 0.442 260 L N -0.783 120.516 121.223 0.126 0.000 2.005 260 L HA -0.152 4.219 4.340 0.052 0.000 0.207 260 L C 2.342 179.329 176.870 0.195 0.000 1.072 260 L CA 1.090 56.041 54.840 0.185 0.000 0.744 260 L CB -0.505 41.726 42.059 0.286 0.000 0.895 260 L HN 0.049 nan 8.230 nan 0.000 0.433 261 F N 1.038 121.029 119.950 0.068 0.000 2.120 261 F HA -0.323 4.233 4.527 0.049 0.000 0.300 261 F C 2.397 178.084 175.800 -0.188 0.000 1.095 261 F CA 1.807 59.693 58.000 -0.190 0.000 1.249 261 F CB -0.025 38.392 39.000 -0.971 0.000 0.995 261 F HN -0.139 nan 8.300 nan 0.000 0.480 262 K N 0.255 120.660 120.400 0.008 0.000 2.097 262 K HA -0.050 4.301 4.320 0.052 0.000 0.206 262 K C 2.135 178.689 176.600 -0.077 0.000 1.049 262 K CA 1.183 57.442 56.287 -0.046 0.000 0.933 262 K CB -0.591 31.904 32.500 -0.008 0.000 0.717 262 K HN 0.334 nan 8.250 nan 0.000 0.442 263 A N -0.123 122.671 122.820 -0.043 0.000 2.119 263 A HA -0.048 4.303 4.320 0.052 0.000 0.217 263 A C 1.701 179.254 177.584 -0.052 0.000 1.153 263 A CA 1.142 53.165 52.037 -0.024 0.000 0.692 263 A CB -0.279 18.728 19.000 0.012 0.000 0.799 263 A HN 0.223 nan 8.150 nan 0.000 0.458 264 M N -0.813 118.712 119.600 -0.124 0.000 2.331 264 M HA 0.131 4.642 4.480 0.052 0.000 0.266 264 M C 0.691 176.858 176.300 -0.222 0.000 1.055 264 M CA -0.045 55.169 55.300 -0.143 0.000 1.048 264 M CB 0.171 32.690 32.600 -0.135 0.000 1.460 264 M HN 0.290 nan 8.290 nan 0.000 0.519 265 K N 2.591 122.788 120.400 -0.338 0.000 2.451 265 K HA 0.250 4.601 4.320 0.052 0.000 0.280 265 K C 0.255 176.822 176.600 -0.054 0.000 1.020 265 K CA 0.874 56.964 56.287 -0.329 0.000 1.008 265 K CB 0.201 32.489 32.500 -0.352 0.000 0.917 265 K HN 0.277 nan 8.250 nan 0.000 0.478 266 G N 2.554 111.387 108.800 0.055 0.000 2.870 266 G HA2 -0.252 3.740 3.960 0.052 0.000 0.685 266 G HA3 -0.252 3.740 3.960 0.052 0.000 0.685 266 G C -0.527 174.386 174.900 0.021 0.000 1.556 266 G CA -0.458 44.697 45.100 0.090 0.000 1.042 266 G HN 0.651 nan 8.290 nan 0.000 0.592 267 L N 1.595 122.824 121.223 0.009 0.000 2.640 267 L HA 0.374 4.745 4.340 0.052 0.000 0.300 267 L C 1.571 178.442 176.870 0.002 0.000 1.259 267 L CA 2.624 57.463 54.840 -0.001 0.000 0.879 267 L CB -0.252 41.803 42.059 -0.006 0.000 1.125 267 L HN 2.539 nan 8.230 nan 0.000 0.507 268 G N 2.008 110.807 108.800 -0.002 0.000 3.019 268 G HA2 -0.055 3.936 3.960 0.052 0.000 0.686 268 G HA3 -0.055 3.936 3.960 0.052 0.000 0.686 268 G C -0.429 174.472 174.900 0.001 0.000 1.056 268 G CA -0.485 44.616 45.100 0.001 0.000 0.774 268 G HN 0.726 nan 8.290 nan 0.000 0.583 269 T N 1.922 116.481 114.554 0.008 0.000 2.885 269 T HA 0.624 5.005 4.350 0.052 0.000 0.285 269 T C 0.638 175.352 174.700 0.023 0.000 1.019 269 T CA -0.718 61.391 62.100 0.016 0.000 1.010 269 T CB 1.674 70.569 68.868 0.044 0.000 1.022 269 T HN 0.557 nan 8.240 nan 0.000 0.466 270 R N 2.115 122.630 120.500 0.025 0.000 4.518 270 R HA 0.221 4.592 4.340 0.052 0.000 0.243 270 R C 1.065 177.398 176.300 0.054 0.000 1.720 270 R CA -0.382 55.737 56.100 0.032 0.000 1.526 270 R CB -0.898 29.418 30.300 0.027 0.000 1.425 270 R HN 0.601 nan 8.270 nan 0.000 0.787 271 D N 0.019 120.463 120.400 0.072 0.000 2.200 271 D HA -0.292 4.379 4.640 0.052 0.000 0.192 271 D C 0.876 177.247 176.300 0.117 0.000 1.008 271 D CA 1.357 55.439 54.000 0.136 0.000 0.872 271 D CB 0.207 41.055 40.800 0.081 0.000 0.923 271 D HN 0.296 nan 8.370 nan 0.000 0.447 272 N N -0.196 118.545 118.700 0.068 0.000 2.205 272 N HA -0.097 4.674 4.740 0.052 0.000 0.186 272 N C 1.702 177.253 175.510 0.069 0.000 1.015 272 N CA 1.194 54.281 53.050 0.063 0.000 0.862 272 N CB -0.207 38.307 38.487 0.045 0.000 0.986 272 N HN 0.125 nan 8.380 nan 0.000 0.429 273 T N 0.173 114.767 114.554 0.067 0.000 2.937 273 T HA 0.029 4.410 4.350 0.052 0.000 0.260 273 T C 1.742 176.479 174.700 0.062 0.000 1.051 273 T CA 0.120 62.261 62.100 0.068 0.000 1.141 273 T CB -0.149 68.757 68.868 0.063 0.000 0.879 273 T HN 0.056 nan 8.240 nan 0.000 0.459 274 L N 1.428 122.688 121.223 0.063 0.000 1.989 274 L HA 0.022 4.393 4.340 0.052 0.000 0.211 274 L C 2.104 178.990 176.870 0.028 0.000 1.071 274 L CA 1.653 56.519 54.840 0.043 0.000 0.749 274 L CB -0.705 41.387 42.059 0.056 0.000 0.890 274 L HN 0.252 nan 8.230 nan 0.000 0.431 275 I N -0.849 119.763 120.570 0.069 0.000 2.179 275 I HA -0.321 3.880 4.170 0.052 0.000 0.242 275 I C 2.731 178.861 176.117 0.023 0.000 1.088 275 I CA 1.557 62.892 61.300 0.058 0.000 1.357 275 I CB -0.398 37.674 38.000 0.120 0.000 1.051 275 I HN 0.302 nan 8.210 nan 0.000 0.409 276 R N 1.307 121.827 120.500 0.034 0.000 2.091 276 R HA -0.184 4.187 4.340 0.052 0.000 0.238 276 R C 2.290 178.574 176.300 -0.027 0.000 1.136 276 R CA 1.760 57.873 56.100 0.021 0.000 0.959 276 R CB -0.238 30.092 30.300 0.050 0.000 0.856 276 R HN 0.311 nan 8.270 nan 0.000 0.437 277 I N 0.212 120.762 120.570 -0.034 0.000 2.233 277 I HA -0.244 3.957 4.170 0.052 0.000 0.243 277 I C 2.244 178.272 176.117 -0.149 0.000 1.093 277 I CA 0.803 62.028 61.300 -0.126 0.000 1.380 277 I CB -0.137 37.841 38.000 -0.036 0.000 1.067 277 I HN 0.223 nan 8.210 nan 0.000 0.413 278 M N -0.096 119.454 119.600 -0.085 0.000 2.279 278 M HA -0.130 4.382 4.480 0.052 0.000 0.264 278 M C 2.315 178.567 176.300 -0.080 0.000 1.062 278 M CA 1.473 56.722 55.300 -0.084 0.000 1.099 278 M CB -0.907 31.647 32.600 -0.075 0.000 1.394 278 M HN 0.125 nan 8.290 nan 0.000 0.426 279 V N -0.028 119.846 119.914 -0.067 0.000 2.379 279 V HA -0.152 3.999 4.120 0.052 0.000 0.243 279 V C 2.450 178.505 176.094 -0.065 0.000 1.035 279 V CA 1.756 64.025 62.300 -0.051 0.000 1.035 279 V CB -0.632 31.175 31.823 -0.026 0.000 0.673 279 V HN 0.539 nan 8.190 nan 0.000 0.457 280 S N 0.731 116.374 115.700 -0.095 0.000 2.402 280 S HA -0.106 4.395 4.470 0.052 0.000 0.229 280 S C 1.712 176.215 174.600 -0.162 0.000 1.021 280 S CA 0.694 58.825 58.200 -0.114 0.000 0.974 280 S CB -0.225 62.896 63.200 -0.132 0.000 0.800 280 S HN 0.494 nan 8.310 nan 0.000 0.484 281 R N 1.729 122.091 120.500 -0.231 0.000 2.427 281 R HA 0.320 4.691 4.340 0.052 0.000 0.262 281 R C 1.786 178.002 176.300 -0.141 0.000 0.943 281 R CA 0.681 56.644 56.100 -0.229 0.000 1.081 281 R CB -0.918 29.163 30.300 -0.366 0.000 1.166 281 R HN 0.696 nan 8.270 nan 0.000 0.534 282 S N 0.072 115.712 115.700 -0.099 0.000 2.453 282 S HA -0.027 4.475 4.470 0.052 0.000 0.231 282 S C 1.136 175.714 174.600 -0.037 0.000 1.005 282 S CA 0.697 58.861 58.200 -0.061 0.000 0.949 282 S CB 0.104 63.282 63.200 -0.036 0.000 0.774 282 S HN 0.313 nan 8.310 nan 0.000 0.510 283 E N -0.299 119.882 120.200 -0.031 0.000 2.734 283 E HA 0.448 4.829 4.350 0.052 0.000 0.211 283 E C 0.491 177.045 176.600 -0.077 0.000 0.991 283 E CA -0.081 56.339 56.400 0.032 0.000 1.065 283 E CB 0.505 30.277 29.700 0.120 0.000 1.047 283 E HN 0.434 nan 8.360 nan 0.000 0.470 284 L N -0.056 121.076 121.223 -0.152 0.000 3.031 284 L HA 0.185 4.557 4.340 0.052 0.000 0.167 284 L C 0.227 176.980 176.870 -0.195 0.000 1.203 284 L CA 0.287 55.041 54.840 -0.144 0.000 0.857 284 L CB 0.536 42.551 42.059 -0.073 0.000 1.368 284 L HN 0.066 nan 8.230 nan 0.000 0.534 285 D N -1.759 118.558 120.400 -0.139 0.000 2.712 285 D HA 0.062 4.733 4.640 0.052 0.000 0.300 285 D C 1.198 177.449 176.300 -0.082 0.000 1.521 285 D CA -0.243 53.692 54.000 -0.109 0.000 0.790 285 D CB 0.218 41.010 40.800 -0.013 0.000 1.155 285 D HN -0.016 nan 8.370 nan 0.000 0.456 286 M N 0.284 119.815 119.600 -0.114 0.000 2.144 286 M HA -0.039 4.472 4.480 0.052 0.000 0.260 286 M C 1.020 177.288 176.300 -0.054 0.000 1.067 286 M CA 1.398 56.654 55.300 -0.073 0.000 1.095 286 M CB -0.312 32.239 32.600 -0.083 0.000 1.365 286 M HN 0.204 nan 8.290 nan 0.000 0.406 287 L N 0.025 121.184 121.223 -0.107 0.000 2.027 287 L HA -0.190 4.181 4.340 0.052 0.000 0.206 287 L C 2.106 178.952 176.870 -0.040 0.000 1.074 287 L CA 1.872 56.651 54.840 -0.101 0.000 0.745 287 L CB -1.257 40.676 42.059 -0.211 0.000 0.898 287 L HN 0.299 nan 8.230 nan 0.000 0.433 288 D N -0.674 119.697 120.400 -0.048 0.000 2.144 288 D HA -0.136 4.535 4.640 0.052 0.000 0.200 288 D C 2.418 178.769 176.300 0.086 0.000 0.978 288 D CA 1.080 55.093 54.000 0.021 0.000 0.833 288 D CB 0.042 40.844 40.800 0.004 0.000 0.961 288 D HN 0.292 nan 8.370 nan 0.000 0.470 289 I N 0.763 121.390 120.570 0.094 0.000 2.208 289 I HA -0.283 3.918 4.170 0.052 0.000 0.245 289 I C 2.556 178.806 176.117 0.221 0.000 1.097 289 I CA 1.121 62.521 61.300 0.168 0.000 1.363 289 I CB -0.034 38.063 38.000 0.163 0.000 1.051 289 I HN -0.083 nan 8.210 nan 0.000 0.413 290 R N 0.367 120.961 120.500 0.157 0.000 2.073 290 R HA -0.184 4.187 4.340 0.052 0.000 0.234 290 R C 2.223 178.681 176.300 0.264 0.000 1.134 290 R CA 1.508 57.713 56.100 0.175 0.000 0.952 290 R CB -0.256 30.094 30.300 0.083 0.000 0.850 290 R HN 0.354 nan 8.270 nan 0.000 0.433 291 E N 0.237 120.592 120.200 0.259 0.000 2.118 291 E HA -0.180 4.201 4.350 0.052 0.000 0.195 291 E C 1.839 178.705 176.600 0.443 0.000 0.992 291 E CA 1.104 57.758 56.400 0.424 0.000 0.804 291 E CB 0.029 30.032 29.700 0.505 0.000 0.741 291 E HN 0.343 nan 8.360 nan 0.000 0.458 292 I N -0.319 120.404 120.570 0.255 0.000 2.333 292 I HA -0.172 4.030 4.170 0.052 0.000 0.246 292 I C 2.007 178.229 176.117 0.174 0.000 1.106 292 I CA 0.340 61.722 61.300 0.138 0.000 1.411 292 I CB -0.120 37.913 38.000 0.055 0.000 1.082 292 I HN 0.095 nan 8.210 nan 0.000 0.420 293 F N 1.914 121.957 119.950 0.154 0.000 2.095 293 F HA -0.228 4.334 4.527 0.058 0.000 0.298 293 F C 2.755 178.703 175.800 0.246 0.000 1.104 293 F CA 1.715 59.866 58.000 0.251 0.000 1.232 293 F CB -0.320 38.842 39.000 0.270 0.000 0.987 293 F HN -0.150 nan 8.300 nan 0.000 0.475 294 R N -0.490 120.344 120.500 0.556 0.000 2.081 294 R HA -0.144 4.227 4.340 0.052 0.000 0.235 294 R C 2.017 178.514 176.300 0.328 0.000 1.131 294 R CA 2.022 58.394 56.100 0.453 0.000 0.960 294 R CB -0.628 29.909 30.300 0.394 0.000 0.856 294 R HN 0.289 nan 8.270 nan 0.000 0.436 295 T N 0.518 115.250 114.554 0.297 0.000 2.770 295 T HA -0.051 4.331 4.350 0.052 0.000 0.263 295 T C 1.705 176.329 174.700 -0.127 0.000 1.039 295 T CA 1.077 63.250 62.100 0.122 0.000 1.142 295 T CB 0.004 68.999 68.868 0.211 0.000 0.868 295 T HN 0.265 nan 8.240 nan 0.000 0.435 296 K N -0.473 119.742 120.400 -0.310 0.000 2.217 296 K HA 0.043 4.394 4.320 0.052 0.000 0.202 296 K C -0.358 175.630 176.600 -1.019 0.000 1.051 296 K CA 0.814 56.645 56.287 -0.760 0.000 0.952 296 K CB 0.167 32.008 32.500 -1.098 0.000 0.736 296 K HN 0.364 nan 8.250 nan 0.000 0.453 297 Y N -0.257 119.891 120.300 -0.253 0.000 2.570 297 Y HA 0.089 4.666 4.550 0.045 0.000 0.345 297 Y C 0.847 176.758 175.900 0.018 0.000 1.014 297 Y CA -1.289 56.671 58.100 -0.234 0.000 1.063 297 Y CB 1.397 39.585 38.460 -0.453 0.000 1.272 297 Y HN -0.130 nan 8.280 nan 0.000 0.477 298 E N 0.768 121.113 120.200 0.241 0.000 2.033 298 E HA -0.146 4.235 4.350 0.052 0.000 0.199 298 E C -0.439 176.321 176.600 0.266 0.000 1.011 298 E CA 1.469 57.999 56.400 0.216 0.000 0.815 298 E CB -0.260 29.559 29.700 0.198 0.000 0.755 298 E HN 0.463 nan 8.360 nan 0.000 0.451 299 K N 1.030 121.634 120.400 0.339 0.000 2.118 299 K HA 0.381 4.733 4.320 0.052 0.000 0.264 299 K C 0.116 176.996 176.600 0.468 0.000 1.000 299 K CA -0.280 56.208 56.287 0.335 0.000 0.929 299 K CB 1.406 34.078 32.500 0.286 0.000 1.021 299 K HN 0.133 nan 8.250 nan 0.000 0.463 300 S N 1.372 117.262 115.700 0.316 0.000 2.617 300 S HA 0.063 4.564 4.470 0.052 0.000 0.269 300 S C 1.053 175.650 174.600 -0.004 0.000 1.292 300 S CA -0.730 57.628 58.200 0.264 0.000 1.010 300 S CB 0.773 64.084 63.200 0.185 0.000 0.944 300 S HN 0.625 nan 8.310 nan 0.000 0.536 301 L N 1.701 122.700 121.223 -0.373 0.000 2.043 301 L HA -0.071 4.300 4.340 0.052 0.000 0.212 301 L C 2.060 178.767 176.870 -0.271 0.000 1.075 301 L CA 2.037 56.413 54.840 -0.774 0.000 0.752 301 L CB -1.531 40.156 42.059 -0.620 0.000 0.891 301 L HN 0.913 nan 8.230 nan 0.000 0.432 302 Y N -0.172 120.011 120.300 -0.195 0.000 2.128 302 Y HA -0.270 4.311 4.550 0.052 0.000 0.284 302 Y C 2.710 178.559 175.900 -0.085 0.000 1.154 302 Y CA 2.018 60.048 58.100 -0.116 0.000 1.149 302 Y CB -0.514 37.907 38.460 -0.065 0.000 0.976 302 Y HN 0.279 nan 8.280 nan 0.000 0.505 303 S N 0.059 115.781 115.700 0.038 0.000 2.356 303 S HA -0.278 4.223 4.470 0.052 0.000 0.223 303 S C 2.085 176.648 174.600 -0.061 0.000 1.032 303 S CA 1.644 59.841 58.200 -0.005 0.000 1.005 303 S CB -0.563 62.691 63.200 0.091 0.000 0.867 303 S HN 0.575 nan 8.310 nan 0.000 0.449 304 M N 1.181 120.755 119.600 -0.043 0.000 2.108 304 M HA -0.063 4.449 4.480 0.052 0.000 0.261 304 M C 1.758 177.990 176.300 -0.113 0.000 1.066 304 M CA 1.547 56.820 55.300 -0.045 0.000 1.107 304 M CB -0.316 32.287 32.600 0.004 0.000 1.356 304 M HN 0.249 nan 8.290 nan 0.000 0.406 305 I N -0.296 120.165 120.570 -0.182 0.000 2.252 305 I HA -0.297 3.904 4.170 0.052 0.000 0.245 305 I C 2.414 178.401 176.117 -0.217 0.000 1.102 305 I CA 1.387 62.565 61.300 -0.203 0.000 1.385 305 I CB -0.625 37.226 38.000 -0.247 0.000 1.064 305 I HN 0.363 nan 8.210 nan 0.000 0.414 306 K N 1.521 121.747 120.400 -0.290 0.000 2.152 306 K HA -0.194 4.158 4.320 0.052 0.000 0.206 306 K C 1.464 177.974 176.600 -0.149 0.000 1.048 306 K CA 1.976 58.097 56.287 -0.277 0.000 0.933 306 K CB -0.164 32.117 32.500 -0.366 0.000 0.721 306 K HN 0.458 nan 8.250 nan 0.000 0.447 307 N N -0.272 118.362 118.700 -0.109 0.000 2.415 307 N HA -0.060 4.711 4.740 0.052 0.000 0.176 307 N C 0.807 176.290 175.510 -0.046 0.000 1.042 307 N CA 0.542 53.555 53.050 -0.061 0.000 0.902 307 N CB 0.209 38.674 38.487 -0.037 0.000 0.986 307 N HN 0.154 nan 8.380 nan 0.000 0.447 308 D N -0.093 120.275 120.400 -0.053 0.000 2.327 308 D HA 0.009 4.680 4.640 0.052 0.000 0.205 308 D C 0.528 176.835 176.300 0.011 0.000 0.989 308 D CA 0.669 54.653 54.000 -0.026 0.000 0.873 308 D CB 0.352 41.131 40.800 -0.035 0.000 0.955 308 D HN 0.216 nan 8.370 nan 0.000 0.515 309 T N -3.354 111.199 114.554 -0.003 0.000 2.949 309 T HA 0.731 5.112 4.350 0.052 0.000 0.287 309 T C -0.066 174.657 174.700 0.038 0.000 1.034 309 T CA -0.753 61.391 62.100 0.073 0.000 1.018 309 T CB 2.259 71.130 68.868 0.004 0.000 1.135 309 T HN -0.149 nan 8.240 nan 0.000 0.532 310 S N -1.519 114.243 115.700 0.104 0.000 2.656 310 S HA 0.766 5.268 4.470 0.052 0.000 0.273 310 S C 0.306 174.935 174.600 0.049 0.000 1.168 310 S CA 0.498 58.720 58.200 0.037 0.000 0.817 310 S CB 0.855 64.064 63.200 0.015 0.000 1.146 310 S HN 2.191 nan 8.310 nan 0.000 0.475 311 G N 2.159 110.948 108.800 -0.017 0.000 2.562 311 G HA2 -0.220 3.772 3.960 0.052 0.000 0.250 311 G HA3 -0.220 3.772 3.960 0.052 0.000 0.250 311 G C 0.205 175.043 174.900 -0.103 0.000 1.269 311 G CA 0.880 45.941 45.100 -0.066 0.000 0.919 311 G HN 0.729 nan 8.290 nan 0.000 0.574 312 E N -1.082 118.973 120.200 -0.240 0.000 2.152 312 E HA 0.061 4.442 4.350 0.052 0.000 0.192 312 E C 2.028 178.584 176.600 -0.074 0.000 0.983 312 E CA 1.686 57.884 56.400 -0.337 0.000 0.818 312 E CB -0.237 28.869 29.700 -0.990 0.000 0.758 312 E HN 0.537 nan 8.360 nan 0.000 0.467 313 Y N 1.839 122.090 120.300 -0.082 0.000 2.151 313 Y HA -0.308 4.273 4.550 0.051 0.000 0.284 313 Y C 2.077 178.007 175.900 0.049 0.000 1.166 313 Y CA 2.109 60.292 58.100 0.139 0.000 1.163 313 Y CB -0.032 38.493 38.460 0.108 0.000 0.974 313 Y HN -0.072 nan 8.280 nan 0.000 0.511 314 K N 0.484 120.845 120.400 -0.065 0.000 2.031 314 K HA -0.207 4.145 4.320 0.052 0.000 0.205 314 K C 2.362 178.867 176.600 -0.159 0.000 1.049 314 K CA 1.553 57.731 56.287 -0.183 0.000 0.939 314 K CB -0.306 32.141 32.500 -0.088 0.000 0.717 314 K HN 0.295 nan 8.250 nan 0.000 0.438 315 K N 0.139 120.485 120.400 -0.090 0.000 2.063 315 K HA -0.131 4.220 4.320 0.052 0.000 0.208 315 K C 1.791 178.371 176.600 -0.033 0.000 1.048 315 K CA 2.171 58.424 56.287 -0.056 0.000 0.928 315 K CB -0.113 32.363 32.500 -0.041 0.000 0.713 315 K HN 0.223 nan 8.250 nan 0.000 0.442 316 T N 1.696 116.245 114.554 -0.008 0.000 2.708 316 T HA -0.122 4.259 4.350 0.052 0.000 0.266 316 T C 1.817 176.482 174.700 -0.058 0.000 1.037 316 T CA 1.317 63.427 62.100 0.017 0.000 1.146 316 T CB -0.198 68.738 68.868 0.113 0.000 0.865 316 T HN 0.149 nan 8.240 nan 0.000 0.435 317 L N 0.464 121.590 121.223 -0.162 0.000 2.042 317 L HA -0.052 4.319 4.340 0.052 0.000 0.210 317 L C 2.526 179.325 176.870 -0.118 0.000 1.076 317 L CA 1.170 55.892 54.840 -0.197 0.000 0.749 317 L CB -0.602 41.244 42.059 -0.355 0.000 0.893 317 L HN 0.267 nan 8.230 nan 0.000 0.432 318 L N -0.677 120.479 121.223 -0.112 0.000 2.201 318 L HA -0.182 4.190 4.340 0.052 0.000 0.212 318 L C 2.657 179.603 176.870 0.127 0.000 1.105 318 L CA 0.914 55.745 54.840 -0.016 0.000 0.775 318 L CB -0.448 41.551 42.059 -0.101 0.000 0.913 318 L HN 0.250 nan 8.230 nan 0.000 0.440 319 K N 0.162 120.591 120.400 0.048 0.000 2.076 319 K HA -0.015 4.336 4.320 0.052 0.000 0.204 319 K C 2.107 178.721 176.600 0.024 0.000 1.051 319 K CA 0.884 57.198 56.287 0.045 0.000 0.949 319 K CB -0.206 32.308 32.500 0.024 0.000 0.726 319 K HN 0.285 nan 8.250 nan 0.000 0.443 320 L N 0.817 122.040 121.223 -0.001 0.000 2.083 320 L HA -0.233 4.138 4.340 0.052 0.000 0.209 320 L C 2.875 179.740 176.870 -0.009 0.000 1.083 320 L CA 1.060 55.892 54.840 -0.014 0.000 0.752 320 L CB -0.474 41.561 42.059 -0.039 0.000 0.899 320 L HN 0.296 nan 8.230 nan 0.000 0.433 321 C N -0.503 118.800 119.300 0.004 0.000 2.442 321 C HA 0.029 4.520 4.460 0.052 0.000 0.279 321 C C 2.132 177.134 174.990 0.020 0.000 1.237 321 C CA 1.013 60.040 59.018 0.015 0.000 1.722 321 C CB -0.549 27.229 27.740 0.063 0.000 2.056 321 C HN 0.774 nan 8.230 nan 0.000 0.469 322 G N -0.715 108.109 108.800 0.040 0.000 3.038 322 G HA2 0.331 4.322 3.960 0.052 0.000 0.197 322 G HA3 0.331 4.322 3.960 0.052 0.000 0.197 322 G C 1.241 176.075 174.900 -0.110 0.000 1.925 322 G CA 0.789 45.879 45.100 -0.016 0.000 1.405 322 G HN 2.216 nan 8.290 nan 0.000 0.524 331 F N 0.238 120.053 119.950 -0.225 0.000 2.375 331 F HA 0.640 5.199 4.527 0.053 0.000 0.317 331 F C 0.024 175.819 175.800 -0.009 0.000 1.124 331 F CA -0.469 57.546 58.000 0.025 0.000 1.050 331 F CB 0.607 39.610 39.000 0.005 0.000 1.314 331 F HN 0.361 nan 8.300 nan 0.000 0.511 332 F N 0.699 120.768 119.950 0.198 0.000 2.593 332 F HA 0.407 4.965 4.527 0.051 0.000 0.320 332 F C -1.423 174.382 175.800 0.009 0.000 1.060 332 F CA -1.972 56.067 58.000 0.066 0.000 0.940 332 F CB 1.137 40.169 39.000 0.054 0.000 1.268 332 F HN 0.182 nan 8.300 nan 0.000 0.475 333 P HA -0.301 nan 4.420 nan 0.000 0.229 333 P C 1.284 178.604 177.300 0.033 0.000 1.152 333 P CA 1.993 65.125 63.100 0.054 0.000 0.915 333 P CB 0.359 32.098 31.700 0.066 0.000 0.784 334 E N -0.987 119.249 120.200 0.059 0.000 2.022 334 E HA 0.011 4.392 4.350 0.052 0.000 0.190 334 E C 2.093 178.651 176.600 -0.070 0.000 0.973 334 E CA 1.059 57.463 56.400 0.008 0.000 0.816 334 E CB -1.107 28.608 29.700 0.024 0.000 0.781 334 E HN 0.025 nan 8.360 nan 0.000 0.456 335 A N 0.842 123.605 122.820 -0.097 0.000 2.032 335 A HA -0.162 4.189 4.320 0.052 0.000 0.221 335 A C 2.336 179.455 177.584 -0.776 0.000 1.165 335 A CA 2.223 54.040 52.037 -0.367 0.000 0.645 335 A CB -0.986 17.869 19.000 -0.242 0.000 0.807 335 A HN 0.414 nan 8.150 nan 0.000 0.453 336 A N -0.938 121.622 122.820 -0.434 0.000 1.898 336 A HA -0.113 4.238 4.320 0.052 0.000 0.214 336 A C 2.181 179.703 177.584 -0.104 0.000 1.183 336 A CA 1.497 53.373 52.037 -0.269 0.000 0.622 336 A CB -0.532 18.469 19.000 0.001 0.000 0.824 336 A HN 0.667 nan 8.150 nan 0.000 0.444 337 Q N 0.308 120.065 119.800 -0.071 0.000 2.030 337 Q HA -0.174 4.197 4.340 0.052 0.000 0.204 337 Q C 1.944 177.966 176.000 0.037 0.000 0.986 337 Q CA 2.606 58.411 55.803 0.004 0.000 0.843 337 Q CB -0.377 28.357 28.738 -0.006 0.000 0.904 337 Q HN 0.363 nan 8.270 nan 0.000 0.420 338 V N 1.635 121.517 119.914 -0.054 0.000 2.252 338 V HA -0.338 3.814 4.120 0.052 0.000 0.249 338 V C 2.585 178.640 176.094 -0.064 0.000 1.056 338 V CA 2.099 64.358 62.300 -0.069 0.000 1.022 338 V CB -1.504 30.245 31.823 -0.124 0.000 0.641 338 V HN 0.584 nan 8.190 nan 0.000 0.445 339 A N -0.868 121.891 122.820 -0.101 0.000 1.892 339 A HA -0.323 4.029 4.320 0.052 0.000 0.218 339 A C 2.188 179.869 177.584 0.161 0.000 1.188 339 A CA 2.491 54.526 52.037 -0.003 0.000 0.631 339 A CB -0.912 18.135 19.000 0.078 0.000 0.822 339 A HN 0.680 nan 8.150 nan 0.000 0.447 340 Y N -0.200 120.165 120.300 0.108 0.000 2.114 340 Y HA -0.224 4.358 4.550 0.054 0.000 0.284 340 Y C 2.613 178.600 175.900 0.146 0.000 1.143 340 Y CA 2.331 60.542 58.100 0.185 0.000 1.135 340 Y CB -0.231 38.299 38.460 0.116 0.000 0.980 340 Y HN 0.286 nan 8.280 nan 0.000 0.499 341 Q N 0.027 119.938 119.800 0.184 0.000 2.226 341 Q HA -0.191 4.180 4.340 0.052 0.000 0.204 341 Q C 2.245 178.218 176.000 -0.046 0.000 0.975 341 Q CA 1.597 57.440 55.803 0.066 0.000 0.866 341 Q CB -0.239 28.556 28.738 0.095 0.000 0.915 341 Q HN 0.638 nan 8.270 nan 0.000 0.440 342 M N -2.097 117.442 119.600 -0.101 0.000 2.159 342 M HA -0.205 4.307 4.480 0.052 0.000 0.263 342 M C 1.563 177.693 176.300 -0.283 0.000 1.063 342 M CA 1.464 56.617 55.300 -0.246 0.000 1.110 342 M CB -0.333 32.034 32.600 -0.387 0.000 1.374 342 M HN 0.264 nan 8.290 nan 0.000 0.411 343 W N 0.271 121.507 121.300 -0.107 0.000 2.476 343 W HA -0.132 4.564 4.660 0.060 0.000 0.281 343 W C 2.385 178.815 176.519 -0.148 0.000 1.230 343 W CA 0.711 57.996 57.345 -0.100 0.000 1.287 343 W CB -0.121 29.293 29.460 -0.076 0.000 1.108 343 W HN 0.246 nan 8.180 nan 0.000 0.567 344 E N 0.944 121.128 120.200 -0.027 0.000 2.058 344 E HA -0.256 4.125 4.350 0.052 0.000 0.194 344 E C 1.992 178.589 176.600 -0.005 0.000 0.997 344 E CA 1.560 57.914 56.400 -0.077 0.000 0.801 344 E CB -0.645 28.974 29.700 -0.136 0.000 0.746 344 E HN 0.104 nan 8.360 nan 0.000 0.450 345 L N 0.640 121.854 121.223 -0.014 0.000 2.017 345 L HA -0.135 4.236 4.340 0.052 0.000 0.208 345 L C 2.454 179.329 176.870 0.008 0.000 1.073 345 L CA 2.535 57.370 54.840 -0.008 0.000 0.745 345 L CB -1.383 40.654 42.059 -0.038 0.000 0.894 345 L HN 0.317 nan 8.230 nan 0.000 0.432 346 S N -0.810 114.895 115.700 0.008 0.000 2.419 346 S HA -0.130 4.371 4.470 0.052 0.000 0.233 346 S C 2.015 176.671 174.600 0.093 0.000 1.016 346 S CA 1.183 59.411 58.200 0.046 0.000 0.974 346 S CB -0.422 62.810 63.200 0.055 0.000 0.786 346 S HN 0.593 nan 8.310 nan 0.000 0.492 347 A N 0.384 123.261 122.820 0.095 0.000 1.935 347 A HA 0.252 4.603 4.320 0.052 0.000 0.214 347 A C 2.213 179.823 177.584 0.043 0.000 1.178 347 A CA 1.213 53.294 52.037 0.073 0.000 0.640 347 A CB -0.414 18.618 19.000 0.053 0.000 0.825 347 A HN 0.506 nan 8.150 nan 0.000 0.447 348 V N -0.266 119.668 119.914 0.033 0.000 2.575 348 V HA 0.221 4.373 4.120 0.052 0.000 0.242 348 V C 1.612 177.722 176.094 0.026 0.000 1.045 348 V CA 0.223 62.537 62.300 0.025 0.000 1.065 348 V CB -1.418 30.418 31.823 0.020 0.000 0.717 348 V HN 0.513 nan 8.190 nan 0.000 0.467 349 A N 1.407 124.246 122.820 0.031 0.000 2.591 349 A HA -0.038 4.314 4.320 0.052 0.000 0.244 349 A C 0.731 178.335 177.584 0.035 0.000 1.031 349 A CA 0.422 52.479 52.037 0.033 0.000 0.767 349 A CB -0.485 18.533 19.000 0.030 0.000 0.942 349 A HN 0.481 nan 8.150 nan 0.000 0.514 350 R N 2.988 123.508 120.500 0.033 0.000 2.593 350 R HA 0.354 4.726 4.340 0.052 0.000 0.282 350 R C -0.708 175.615 176.300 0.038 0.000 1.300 350 R CA -0.244 55.874 56.100 0.032 0.000 1.221 350 R CB -0.083 30.232 30.300 0.025 0.000 1.157 350 R HN 0.600 nan 8.270 nan 0.000 0.555 351 V N 2.070 122.009 119.914 0.041 0.000 2.686 351 V HA 0.223 4.374 4.120 0.052 0.000 0.295 351 V C 0.404 176.522 176.094 0.040 0.000 1.057 351 V CA -0.471 61.855 62.300 0.043 0.000 1.012 351 V CB 1.652 33.505 31.823 0.051 0.000 1.006 351 V HN 0.586 nan 8.190 nan 0.000 0.477 352 E N 3.300 123.522 120.200 0.038 0.000 2.145 352 E HA 0.431 4.812 4.350 0.052 0.000 0.262 352 E C -1.108 175.512 176.600 0.034 0.000 0.883 352 E CA -0.500 55.919 56.400 0.032 0.000 0.748 352 E CB 1.596 31.310 29.700 0.024 0.000 1.140 352 E HN 0.559 nan 8.360 nan 0.000 0.417 353 L N 3.476 124.720 121.223 0.037 0.000 2.410 353 L HA 0.293 4.665 4.340 0.052 0.000 0.273 353 L C 0.344 177.229 176.870 0.025 0.000 1.152 353 L CA 0.409 55.273 54.840 0.040 0.000 0.855 353 L CB 0.172 42.258 42.059 0.045 0.000 1.129 353 L HN 0.274 nan 8.230 nan 0.000 0.463 354 K N 1.826 122.240 120.400 0.024 0.000 2.513 354 K HA 0.469 4.820 4.320 0.052 0.000 0.251 354 K C -0.129 176.473 176.600 0.003 0.000 0.939 354 K CA -0.555 55.737 56.287 0.010 0.000 0.793 354 K CB 2.462 34.968 32.500 0.009 0.000 1.241 354 K HN 0.739 nan 8.250 nan 0.000 0.431 355 G N -0.074 108.720 108.800 -0.011 0.000 2.543 355 G HA2 0.212 4.204 3.960 0.052 0.000 0.290 355 G HA3 0.212 4.204 3.960 0.052 0.000 0.290 355 G C 0.803 175.687 174.900 -0.026 0.000 1.310 355 G CA -0.128 44.957 45.100 -0.025 0.000 1.025 355 G HN 0.607 nan 8.290 nan 0.000 0.502 356 T N -3.478 111.052 114.554 -0.040 0.000 3.018 356 T HA 0.196 4.577 4.350 0.052 0.000 0.246 356 T C 0.986 175.660 174.700 -0.045 0.000 1.026 356 T CA 0.693 62.770 62.100 -0.038 0.000 1.081 356 T CB -0.119 68.721 68.868 -0.047 0.000 0.970 356 T HN 0.932 nan 8.240 nan 0.000 0.475 357 V N 1.664 121.540 119.914 -0.064 0.000 2.407 357 V HA 0.724 4.876 4.120 0.052 0.000 0.278 357 V C -0.854 175.205 176.094 -0.059 0.000 1.037 357 V CA -1.040 61.218 62.300 -0.071 0.000 0.900 357 V CB 1.019 32.776 31.823 -0.111 0.000 0.983 357 V HN 0.346 nan 8.190 nan 0.000 0.459 358 R N 5.443 125.916 120.500 -0.044 0.000 2.803 358 R HA 0.621 4.992 4.340 0.052 0.000 0.276 358 R C -2.639 173.626 176.300 -0.058 0.000 0.978 358 R CA -2.052 54.021 56.100 -0.046 0.000 0.939 358 R CB 1.938 32.220 30.300 -0.029 0.000 1.179 358 R HN 0.627 nan 8.270 nan 0.000 0.472 359 P HA -0.080 nan 4.420 nan 0.000 0.263 359 P C -0.950 176.300 177.300 -0.083 0.000 1.175 359 P CA 0.171 63.201 63.100 -0.117 0.000 0.761 359 P CB 0.431 32.068 31.700 -0.104 0.000 0.794 360 A N 3.614 126.365 122.820 -0.114 0.000 2.401 360 A HA 0.525 4.877 4.320 0.052 0.000 0.259 360 A C 1.006 178.607 177.584 0.029 0.000 1.103 360 A CA 0.126 52.147 52.037 -0.027 0.000 0.789 360 A CB -0.067 18.933 19.000 -0.001 0.000 1.035 360 A HN 0.620 nan 8.150 nan 0.000 0.491 361 G N 0.734 109.561 108.800 0.046 0.000 2.503 361 G HA2 0.442 4.434 3.960 0.052 0.000 0.257 361 G HA3 0.442 4.434 3.960 0.052 0.000 0.257 361 G C -0.319 174.640 174.900 0.098 0.000 1.214 361 G CA 0.112 45.250 45.100 0.063 0.000 0.839 361 G HN 0.901 nan 8.290 nan 0.000 0.559 362 D N -1.066 119.393 120.400 0.099 0.000 2.723 362 D HA -0.201 4.470 4.640 0.052 0.000 0.236 362 D C 0.026 176.412 176.300 0.145 0.000 1.138 362 D CA 0.708 54.763 54.000 0.091 0.000 0.676 362 D CB -1.173 39.661 40.800 0.057 0.000 1.069 362 D HN 0.291 nan 8.370 nan 0.000 0.430 363 F N 1.902 121.857 119.950 0.009 0.000 2.571 363 F HA 0.215 4.775 4.527 0.055 0.000 0.384 363 F C 0.508 176.316 175.800 0.013 0.000 1.058 363 F CA -0.633 57.374 58.000 0.011 0.000 1.200 363 F CB 0.347 39.353 39.000 0.010 0.000 1.077 363 F HN -0.128 nan 8.300 nan 0.000 0.558 364 N N 8.798 127.288 118.700 -0.350 0.000 2.682 364 N HA 0.304 5.075 4.740 0.052 0.000 0.252 364 N C -2.243 172.951 175.510 -0.526 0.000 1.081 364 N CA -2.024 50.774 53.050 -0.420 0.000 0.844 364 N CB 1.574 39.975 38.487 -0.143 0.000 1.167 364 N HN 0.214 nan 8.380 nan 0.000 0.523 365 P HA -0.123 nan 4.420 nan 0.000 0.216 365 P C 0.648 177.847 177.300 -0.169 0.000 1.153 365 P CA 1.270 64.089 63.100 -0.469 0.000 0.858 365 P CB 0.418 31.863 31.700 -0.424 0.000 0.789 366 D N -0.226 120.077 120.400 -0.161 0.000 2.123 366 D HA -0.170 4.501 4.640 0.052 0.000 0.196 366 D C 1.877 178.210 176.300 0.054 0.000 0.992 366 D CA 1.681 55.669 54.000 -0.019 0.000 0.833 366 D CB -0.496 40.336 40.800 0.054 0.000 0.954 366 D HN 0.165 nan 8.370 nan 0.000 0.455 367 A N 1.169 123.994 122.820 0.008 0.000 1.968 367 A HA -0.141 4.211 4.320 0.052 0.000 0.217 367 A C 1.793 179.424 177.584 0.077 0.000 1.169 367 A CA 1.233 53.295 52.037 0.042 0.000 0.638 367 A CB -0.076 18.933 19.000 0.016 0.000 0.812 367 A HN -0.022 nan 8.150 nan 0.000 0.446 368 D N 0.331 120.776 120.400 0.075 0.000 2.077 368 D HA -0.009 4.663 4.640 0.052 0.000 0.196 368 D C 2.296 178.700 176.300 0.172 0.000 0.986 368 D CA 1.656 55.732 54.000 0.127 0.000 0.829 368 D CB -0.571 40.332 40.800 0.173 0.000 0.983 368 D HN 0.351 nan 8.370 nan 0.000 0.453 369 A N 0.839 123.792 122.820 0.221 0.000 1.986 369 A HA -0.250 4.101 4.320 0.052 0.000 0.220 369 A C 2.042 179.846 177.584 0.366 0.000 1.171 369 A CA 1.663 53.941 52.037 0.401 0.000 0.640 369 A CB -0.443 18.816 19.000 0.430 0.000 0.811 369 A HN 0.138 nan 8.150 nan 0.000 0.451 370 K N -0.691 119.883 120.400 0.290 0.000 2.025 370 K HA -0.014 4.337 4.320 0.052 0.000 0.207 370 K C 2.349 179.042 176.600 0.155 0.000 1.049 370 K CA 1.056 57.499 56.287 0.261 0.000 0.933 370 K CB -0.301 32.318 32.500 0.198 0.000 0.714 370 K HN 0.430 nan 8.250 nan 0.000 0.438 371 A N 0.941 123.836 122.820 0.125 0.000 1.972 371 A HA -0.152 4.199 4.320 0.052 0.000 0.219 371 A C 1.956 179.584 177.584 0.073 0.000 1.169 371 A CA 1.238 53.325 52.037 0.084 0.000 0.635 371 A CB -0.374 18.669 19.000 0.071 0.000 0.810 371 A HN 0.110 nan 8.150 nan 0.000 0.446 372 L N -0.498 120.787 121.223 0.103 0.000 2.027 372 L HA -0.055 4.316 4.340 0.052 0.000 0.206 372 L C 2.508 179.422 176.870 0.075 0.000 1.074 372 L CA 2.187 57.071 54.840 0.074 0.000 0.745 372 L CB -1.044 41.062 42.059 0.078 0.000 0.898 372 L HN 0.527 nan 8.230 nan 0.000 0.433 373 R N 0.024 120.595 120.500 0.119 0.000 2.081 373 R HA -0.175 4.197 4.340 0.052 0.000 0.235 373 R C 2.339 178.621 176.300 -0.031 0.000 1.131 373 R CA 1.489 57.572 56.100 -0.029 0.000 0.960 373 R CB -0.327 29.683 30.300 -0.482 0.000 0.856 373 R HN 0.130 nan 8.270 nan 0.000 0.436 374 K N 0.343 120.749 120.400 0.009 0.000 2.057 374 K HA -0.033 4.319 4.320 0.052 0.000 0.206 374 K C 1.477 178.082 176.600 0.009 0.000 1.050 374 K CA 1.629 57.926 56.287 0.017 0.000 0.935 374 K CB -0.298 32.223 32.500 0.036 0.000 0.715 374 K HN 0.273 nan 8.250 nan 0.000 0.439 375 A N 0.514 123.340 122.820 0.009 0.000 2.239 375 A HA 0.032 4.383 4.320 0.052 0.000 0.209 375 A C 1.696 179.272 177.584 -0.014 0.000 1.171 375 A CA 0.665 52.701 52.037 -0.002 0.000 0.768 375 A CB -0.254 18.743 19.000 -0.006 0.000 0.790 375 A HN 0.381 nan 8.150 nan 0.000 0.478 376 M N -1.831 117.762 119.600 -0.013 0.000 2.338 376 M HA 0.170 4.681 4.480 0.052 0.000 0.276 376 M C 0.264 176.557 176.300 -0.012 0.000 1.057 376 M CA 0.091 55.379 55.300 -0.019 0.000 1.079 376 M CB 0.452 33.036 32.600 -0.026 0.000 1.547 376 M HN 0.052 nan 8.290 nan 0.000 0.549 377 K N 1.306 121.701 120.400 -0.009 0.000 2.295 377 K HA 0.444 4.795 4.320 0.052 0.000 0.270 377 K C 0.473 177.074 176.600 0.000 0.000 1.011 377 K CA 1.029 57.314 56.287 -0.004 0.000 0.953 377 K CB 0.622 33.121 32.500 -0.002 0.000 0.956 377 K HN 0.275 nan 8.250 nan 0.000 0.477 378 G N 0.883 109.684 108.800 0.002 0.000 2.610 378 G HA2 -0.231 3.760 3.960 0.052 0.000 0.304 378 G HA3 -0.231 3.760 3.960 0.052 0.000 0.304 378 G C -0.164 174.738 174.900 0.003 0.000 1.309 378 G CA -0.265 44.837 45.100 0.004 0.000 0.906 378 G HN 0.484 nan 8.290 nan 0.000 0.521 379 L N 1.208 122.434 121.223 0.004 0.000 2.022 379 L HA 0.458 4.829 4.340 0.052 0.000 0.204 379 L C 2.280 179.153 176.870 0.004 0.000 1.076 379 L CA 2.991 57.834 54.840 0.004 0.000 0.749 379 L CB -1.063 41.000 42.059 0.006 0.000 0.903 379 L HN 1.422 nan 8.230 nan 0.000 0.439 380 G N -1.335 107.469 108.800 0.006 0.000 2.572 380 G HA2 0.359 4.350 3.960 0.052 0.000 0.261 380 G HA3 0.359 4.350 3.960 0.052 0.000 0.261 380 G C -0.753 174.149 174.900 0.002 0.000 1.197 380 G CA 0.274 45.379 45.100 0.008 0.000 0.870 380 G HN 0.289 nan 8.290 nan 0.000 0.548 381 T N -0.918 113.635 114.554 -0.001 0.000 2.791 381 T HA 0.283 4.664 4.350 0.052 0.000 0.288 381 T C -0.589 174.096 174.700 -0.025 0.000 0.999 381 T CA -0.726 61.365 62.100 -0.015 0.000 0.952 381 T CB 1.288 70.141 68.868 -0.025 0.000 0.938 381 T HN 0.390 nan 8.240 nan 0.000 0.444 382 D N 3.900 124.285 120.400 -0.024 0.000 2.385 382 D HA 0.088 4.759 4.640 0.052 0.000 0.260 382 D C 0.992 177.247 176.300 -0.074 0.000 1.326 382 D CA 0.176 54.158 54.000 -0.031 0.000 1.023 382 D CB 0.609 41.401 40.800 -0.013 0.000 1.083 382 D HN 0.729 nan 8.370 nan 0.000 0.517 383 E N 1.774 121.887 120.200 -0.146 0.000 2.158 383 E HA -0.103 4.279 4.350 0.052 0.000 0.191 383 E C 1.101 177.551 176.600 -0.250 0.000 0.982 383 E CA 0.416 56.660 56.400 -0.260 0.000 0.823 383 E CB 0.318 29.713 29.700 -0.508 0.000 0.766 383 E HN 0.447 nan 8.360 nan 0.000 0.468 384 D N 0.072 120.357 120.400 -0.192 0.000 2.104 384 D HA -0.139 4.532 4.640 0.052 0.000 0.194 384 D C 1.885 178.167 176.300 -0.031 0.000 0.994 384 D CA 1.382 55.339 54.000 -0.072 0.000 0.830 384 D CB -0.284 40.527 40.800 0.018 0.000 0.959 384 D HN 0.088 nan 8.370 nan 0.000 0.452 385 T N 0.814 115.353 114.554 -0.026 0.000 2.821 385 T HA -0.051 4.330 4.350 0.052 0.000 0.267 385 T C 2.189 176.886 174.700 -0.005 0.000 1.046 385 T CA 0.386 62.483 62.100 -0.004 0.000 1.139 385 T CB -0.131 68.737 68.868 0.001 0.000 0.871 385 T HN 0.165 nan 8.240 nan 0.000 0.454 386 I N 0.374 120.924 120.570 -0.034 0.000 2.335 386 I HA -0.142 4.059 4.170 0.052 0.000 0.251 386 I C 2.041 178.142 176.117 -0.027 0.000 1.129 386 I CA 1.278 62.555 61.300 -0.039 0.000 1.402 386 I CB -0.265 37.693 38.000 -0.071 0.000 1.069 386 I HN 0.257 nan 8.210 nan 0.000 0.424 387 I N 0.053 120.606 120.570 -0.028 0.000 2.277 387 I HA -0.225 3.976 4.170 0.052 0.000 0.243 387 I C 1.957 178.126 176.117 0.086 0.000 1.094 387 I CA 1.011 62.308 61.300 -0.005 0.000 1.393 387 I CB -0.381 37.609 38.000 -0.016 0.000 1.078 387 I HN 0.136 nan 8.210 nan 0.000 0.417 388 D N 0.955 121.421 120.400 0.109 0.000 2.228 388 D HA -0.149 4.522 4.640 0.052 0.000 0.203 388 D C 2.098 178.534 176.300 0.227 0.000 0.988 388 D CA 1.459 55.563 54.000 0.172 0.000 0.864 388 D CB 0.098 40.917 40.800 0.032 0.000 0.928 388 D HN 0.389 nan 8.370 nan 0.000 0.469 389 I N 0.117 120.766 120.570 0.132 0.000 2.522 389 I HA -0.130 4.071 4.170 0.052 0.000 0.240 389 I C 2.204 178.375 176.117 0.091 0.000 1.078 389 I CA -0.033 61.334 61.300 0.112 0.000 1.422 389 I CB 0.022 38.069 38.000 0.078 0.000 1.188 389 I HN -0.146 nan 8.210 nan 0.000 0.442 390 I N 1.391 121.980 120.570 0.032 0.000 2.113 390 I HA -0.310 3.891 4.170 0.052 0.000 0.242 390 I C 2.787 178.861 176.117 -0.072 0.000 1.064 390 I CA 2.513 63.797 61.300 -0.026 0.000 1.320 390 I CB -2.025 35.943 38.000 -0.054 0.000 1.028 390 I HN 0.411 nan 8.210 nan 0.000 0.406 391 T N -2.086 112.401 114.554 -0.111 0.000 3.098 391 T HA -0.134 4.247 4.350 0.052 0.000 0.266 391 T C 0.930 175.368 174.700 -0.437 0.000 1.145 391 T CA 0.910 62.845 62.100 -0.276 0.000 1.092 391 T CB -0.739 67.916 68.868 -0.355 0.000 0.908 391 T HN 0.475 nan 8.240 nan 0.000 0.526 392 H N 0.763 119.798 119.070 -0.057 0.000 2.505 392 H HA 0.487 5.074 4.556 0.052 0.000 0.260 392 H C -0.095 175.187 175.328 -0.077 0.000 1.168 392 H CA -0.701 55.315 56.048 -0.054 0.000 0.945 392 H CB 0.313 30.057 29.762 -0.030 0.000 1.800 392 H HN 0.061 nan 8.280 nan 0.000 0.586 393 R N 0.618 121.086 120.500 -0.052 0.000 2.584 393 R HA 0.260 4.631 4.340 0.052 0.000 0.276 393 R C -0.492 175.711 176.300 -0.162 0.000 1.046 393 R CA -0.588 55.430 56.100 -0.138 0.000 0.906 393 R CB 1.732 31.937 30.300 -0.157 0.000 1.215 393 R HN 0.332 nan 8.270 nan 0.000 0.449 394 S N 0.949 116.533 115.700 -0.193 0.000 2.568 394 S HA -0.036 4.465 4.470 0.052 0.000 0.282 394 S C 1.152 175.665 174.600 -0.146 0.000 1.338 394 S CA -0.418 57.690 58.200 -0.153 0.000 1.045 394 S CB 0.986 64.098 63.200 -0.147 0.000 0.873 394 S HN 0.713 nan 8.310 nan 0.000 0.516 395 N N 2.073 120.708 118.700 -0.108 0.000 2.184 395 N HA -0.237 4.534 4.740 0.052 0.000 0.190 395 N C 1.742 177.210 175.510 -0.070 0.000 1.011 395 N CA 1.614 54.613 53.050 -0.086 0.000 0.867 395 N CB -0.605 37.844 38.487 -0.064 0.000 0.993 395 N HN 0.828 nan 8.380 nan 0.000 0.433 396 A N 0.889 123.664 122.820 -0.075 0.000 1.855 396 A HA -0.144 4.207 4.320 0.052 0.000 0.215 396 A C 2.154 179.695 177.584 -0.071 0.000 1.191 396 A CA 1.222 53.227 52.037 -0.053 0.000 0.613 396 A CB -0.708 18.264 19.000 -0.048 0.000 0.829 396 A HN 0.448 nan 8.150 nan 0.000 0.442 397 Q N -0.839 118.844 119.800 -0.195 0.000 2.181 397 Q HA -0.182 4.189 4.340 0.052 0.000 0.205 397 Q C 2.348 178.273 176.000 -0.126 0.000 0.980 397 Q CA 1.471 57.041 55.803 -0.389 0.000 0.862 397 Q CB -0.156 27.991 28.738 -0.984 0.000 0.905 397 Q HN 0.594 nan 8.270 nan 0.000 0.429 398 R N 0.022 120.461 120.500 -0.102 0.000 2.073 398 R HA -0.133 4.239 4.340 0.052 0.000 0.234 398 R C 2.239 178.551 176.300 0.021 0.000 1.134 398 R CA 1.118 57.201 56.100 -0.028 0.000 0.952 398 R CB 0.029 30.292 30.300 -0.062 0.000 0.850 398 R HN 0.224 nan 8.270 nan 0.000 0.433 399 Q N 0.259 120.066 119.800 0.011 0.000 2.234 399 Q HA -0.183 4.188 4.340 0.052 0.000 0.206 399 Q C 1.934 177.973 176.000 0.066 0.000 0.980 399 Q CA 1.209 57.029 55.803 0.028 0.000 0.869 399 Q CB -0.128 28.624 28.738 0.024 0.000 0.912 399 Q HN 0.294 nan 8.270 nan 0.000 0.436 400 Q N 0.324 120.196 119.800 0.119 0.000 2.049 400 Q HA 0.034 4.406 4.340 0.052 0.000 0.198 400 Q C 2.171 178.268 176.000 0.162 0.000 0.971 400 Q CA 0.749 56.657 55.803 0.176 0.000 0.833 400 Q CB -0.122 28.832 28.738 0.360 0.000 0.896 400 Q HN 0.440 nan 8.270 nan 0.000 0.434 401 I N 0.081 120.781 120.570 0.218 0.000 2.454 401 I HA -0.284 3.918 4.170 0.052 0.000 0.254 401 I C 2.397 178.600 176.117 0.142 0.000 1.156 401 I CA 0.913 62.321 61.300 0.180 0.000 1.433 401 I CB -0.157 37.956 38.000 0.187 0.000 1.082 401 I HN 0.134 nan 8.210 nan 0.000 0.432 402 R N 0.270 120.824 120.500 0.090 0.000 2.062 402 R HA -0.140 4.231 4.340 0.052 0.000 0.229 402 R C 2.363 178.731 176.300 0.114 0.000 1.128 402 R CA 1.270 57.412 56.100 0.069 0.000 0.960 402 R CB -0.196 30.113 30.300 0.015 0.000 0.855 402 R HN 0.393 nan 8.270 nan 0.000 0.432 403 Q N -0.562 119.285 119.800 0.078 0.000 2.030 403 Q HA -0.165 4.207 4.340 0.052 0.000 0.204 403 Q C 2.061 178.085 176.000 0.039 0.000 0.986 403 Q CA 2.304 58.141 55.803 0.057 0.000 0.843 403 Q CB -0.121 28.639 28.738 0.038 0.000 0.904 403 Q HN 0.327 nan 8.270 nan 0.000 0.420 404 T N 0.841 115.389 114.554 -0.009 0.000 2.622 404 T HA -0.208 4.174 4.350 0.052 0.000 0.266 404 T C 1.404 176.043 174.700 -0.102 0.000 1.047 404 T CA 1.474 63.458 62.100 -0.193 0.000 1.159 404 T CB -0.627 68.094 68.868 -0.245 0.000 0.863 404 T HN 0.258 nan 8.240 nan 0.000 0.422 405 F N 1.994 121.939 119.950 -0.009 0.000 2.085 405 F HA -0.235 4.323 4.527 0.053 0.000 0.299 405 F C 2.388 178.343 175.800 0.259 0.000 1.096 405 F CA 1.997 60.116 58.000 0.199 0.000 1.227 405 F CB -0.196 38.871 39.000 0.112 0.000 0.983 405 F HN 0.023 nan 8.300 nan 0.000 0.482 406 K N 0.152 120.775 120.400 0.372 0.000 2.002 406 K HA -0.170 4.181 4.320 0.052 0.000 0.209 406 K C 2.013 178.701 176.600 0.146 0.000 1.048 406 K CA 1.665 58.106 56.287 0.256 0.000 0.930 406 K CB -0.484 32.124 32.500 0.182 0.000 0.714 406 K HN 0.314 nan 8.250 nan 0.000 0.438 407 S N -0.469 115.291 115.700 0.100 0.000 2.803 407 S HA -0.058 4.444 4.470 0.052 0.000 0.226 407 S C 0.849 175.562 174.600 0.189 0.000 0.962 407 S CA 0.478 58.734 58.200 0.092 0.000 0.968 407 S CB -0.288 62.949 63.200 0.062 0.000 0.786 407 S HN 0.380 nan 8.310 nan 0.000 0.527 408 H N -0.763 118.230 119.070 -0.129 0.000 2.573 408 H HA 0.398 4.986 4.556 0.053 0.000 0.236 408 H C 0.405 175.383 175.328 -0.582 0.000 0.907 408 H CA 0.088 55.905 56.048 -0.385 0.000 1.058 408 H CB 0.005 29.467 29.762 -0.500 0.000 1.417 408 H HN 0.497 nan 8.280 nan 0.000 0.425 409 F N -0.741 119.132 119.950 -0.128 0.000 2.706 409 F HA 0.343 4.901 4.527 0.052 0.000 0.308 409 F C 1.609 177.357 175.800 -0.086 0.000 1.095 409 F CA 0.520 58.408 58.000 -0.187 0.000 1.244 409 F CB 0.802 39.554 39.000 -0.414 0.000 1.063 409 F HN 0.252 nan 8.300 nan 0.000 0.582 410 G N 1.612 110.484 108.800 0.120 0.000 2.179 410 G HA2 -0.304 3.688 3.960 0.052 0.000 0.257 410 G HA3 -0.304 3.688 3.960 0.052 0.000 0.257 410 G C 0.168 175.150 174.900 0.137 0.000 1.010 410 G CA -0.087 45.075 45.100 0.103 0.000 0.736 410 G HN 0.381 nan 8.290 nan 0.000 0.513 411 R N -0.226 120.399 120.500 0.209 0.000 2.750 411 R HA 0.448 4.819 4.340 0.052 0.000 0.281 411 R C -1.133 175.376 176.300 0.349 0.000 0.972 411 R CA -1.019 55.232 56.100 0.252 0.000 0.912 411 R CB 1.483 31.952 30.300 0.281 0.000 1.187 411 R HN 0.175 nan 8.270 nan 0.000 0.464 412 D N 2.707 123.229 120.400 0.204 0.000 2.325 412 D HA -0.008 4.663 4.640 0.052 0.000 0.251 412 D C 0.831 177.125 176.300 -0.009 0.000 1.196 412 D CA -0.235 53.832 54.000 0.112 0.000 0.866 412 D CB 1.371 42.195 40.800 0.039 0.000 1.101 412 D HN 0.284 nan 8.370 nan 0.000 0.476 413 L N 5.882 126.983 121.223 -0.204 0.000 2.042 413 L HA -0.212 4.159 4.340 0.052 0.000 0.210 413 L C 2.087 178.744 176.870 -0.356 0.000 1.076 413 L CA 1.637 56.069 54.840 -0.680 0.000 0.749 413 L CB -0.435 41.139 42.059 -0.808 0.000 0.893 413 L HN 0.521 nan 8.230 nan 0.000 0.432 414 M N -0.552 118.927 119.600 -0.201 0.000 2.065 414 M HA -0.191 4.321 4.480 0.052 0.000 0.259 414 M C 2.447 178.686 176.300 -0.103 0.000 1.069 414 M CA 2.002 57.221 55.300 -0.134 0.000 1.110 414 M CB -1.818 30.727 32.600 -0.091 0.000 1.328 414 M HN 0.437 nan 8.290 nan 0.000 0.405 415 A N 0.241 123.016 122.820 -0.076 0.000 1.940 415 A HA -0.198 4.153 4.320 0.052 0.000 0.219 415 A C 1.858 179.410 177.584 -0.053 0.000 1.176 415 A CA 2.191 54.200 52.037 -0.045 0.000 0.631 415 A CB -0.795 18.194 19.000 -0.017 0.000 0.814 415 A HN 0.436 nan 8.150 nan 0.000 0.446 416 D N -0.672 119.679 120.400 -0.082 0.000 2.123 416 D HA -0.061 4.611 4.640 0.052 0.000 0.200 416 D C 1.752 177.992 176.300 -0.100 0.000 0.976 416 D CA 0.664 54.615 54.000 -0.081 0.000 0.831 416 D CB -0.244 40.493 40.800 -0.105 0.000 0.974 416 D HN 0.254 nan 8.370 nan 0.000 0.469 417 L N 0.982 122.120 121.223 -0.141 0.000 2.027 417 L HA -0.081 4.290 4.340 0.052 0.000 0.206 417 L C 2.158 178.984 176.870 -0.074 0.000 1.074 417 L CA 1.566 56.334 54.840 -0.119 0.000 0.745 417 L CB -0.655 41.319 42.059 -0.141 0.000 0.898 417 L HN -0.057 nan 8.230 nan 0.000 0.433 418 K N -1.160 119.202 120.400 -0.063 0.000 2.063 418 K HA -0.206 4.145 4.320 0.052 0.000 0.208 418 K C 2.378 178.960 176.600 -0.029 0.000 1.048 418 K CA 1.737 58.001 56.287 -0.038 0.000 0.928 418 K CB -0.121 32.361 32.500 -0.030 0.000 0.713 418 K HN 0.358 nan 8.250 nan 0.000 0.442 419 S N 0.202 115.883 115.700 -0.031 0.000 2.387 419 S HA -0.063 4.438 4.470 0.052 0.000 0.226 419 S C 1.647 176.234 174.600 -0.022 0.000 1.026 419 S CA 0.823 59.010 58.200 -0.021 0.000 0.972 419 S CB -0.088 63.102 63.200 -0.017 0.000 0.814 419 S HN 0.284 nan 8.310 nan 0.000 0.477 420 E N 0.392 120.574 120.200 -0.031 0.000 2.371 420 E HA 0.229 4.610 4.350 0.052 0.000 0.194 420 E C 0.294 176.877 176.600 -0.028 0.000 1.012 420 E CA 0.161 56.544 56.400 -0.029 0.000 0.860 420 E CB 0.134 29.811 29.700 -0.037 0.000 0.811 420 E HN 0.544 nan 8.360 nan 0.000 0.502 421 L N 0.414 121.619 121.223 -0.031 0.000 2.334 421 L HA 0.328 4.699 4.340 0.052 0.000 0.270 421 L C 0.247 177.109 176.870 -0.014 0.000 1.018 421 L CA -0.591 54.234 54.840 -0.025 0.000 0.811 421 L CB 1.770 43.810 42.059 -0.032 0.000 1.271 421 L HN -0.090 nan 8.230 nan 0.000 0.443 422 S N -0.315 115.381 115.700 -0.007 0.000 2.596 422 S HA 0.875 5.376 4.470 0.052 0.000 0.270 422 S C -0.302 174.289 174.600 -0.014 0.000 1.155 422 S CA -0.146 58.049 58.200 -0.009 0.000 0.827 422 S CB 1.771 64.967 63.200 -0.008 0.000 1.130 422 S HN 1.293 nan 8.310 nan 0.000 0.467 423 G N 1.648 110.428 108.800 -0.033 0.000 2.645 423 G HA2 -0.196 3.796 3.960 0.052 0.000 0.239 423 G HA3 -0.196 3.796 3.960 0.052 0.000 0.239 423 G C 0.020 174.860 174.900 -0.100 0.000 1.331 423 G CA 0.460 45.518 45.100 -0.070 0.000 0.890 423 G HN 0.808 nan 8.290 nan 0.000 0.572 424 D N -0.266 119.997 120.400 -0.228 0.000 2.149 424 D HA -0.110 4.561 4.640 0.052 0.000 0.198 424 D C 2.542 178.812 176.300 -0.050 0.000 0.990 424 D CA 1.265 55.040 54.000 -0.375 0.000 0.839 424 D CB -0.099 39.949 40.800 -1.253 0.000 0.948 424 D HN 0.339 nan 8.370 nan 0.000 0.460 425 L N 0.747 122.008 121.223 0.063 0.000 1.989 425 L HA -0.217 4.155 4.340 0.052 0.000 0.211 425 L C 2.373 179.296 176.870 0.089 0.000 1.071 425 L CA 1.597 56.552 54.840 0.191 0.000 0.749 425 L CB -0.390 41.758 42.059 0.148 0.000 0.890 425 L HN -0.012 nan 8.230 nan 0.000 0.431 426 A N 0.250 123.090 122.820 0.034 0.000 1.940 426 A HA -0.291 4.061 4.320 0.052 0.000 0.219 426 A C 2.317 179.914 177.584 0.022 0.000 1.176 426 A CA 2.015 54.059 52.037 0.011 0.000 0.631 426 A CB -0.622 18.375 19.000 -0.004 0.000 0.814 426 A HN 0.586 nan 8.150 nan 0.000 0.446 427 R N -0.497 120.026 120.500 0.038 0.000 2.090 427 R HA 0.048 4.419 4.340 0.052 0.000 0.228 427 R C 2.045 178.397 176.300 0.087 0.000 1.110 427 R CA 1.347 57.486 56.100 0.064 0.000 0.973 427 R CB -0.413 29.922 30.300 0.059 0.000 0.869 427 R HN 0.491 nan 8.270 nan 0.000 0.440 428 L N 0.445 121.739 121.223 0.117 0.000 1.988 428 L HA -0.136 4.235 4.340 0.052 0.000 0.207 428 L C 2.189 179.049 176.870 -0.016 0.000 1.071 428 L CA 1.231 56.125 54.840 0.089 0.000 0.744 428 L CB -0.276 41.885 42.059 0.170 0.000 0.893 428 L HN 0.281 nan 8.230 nan 0.000 0.433 429 I N 0.290 120.854 120.570 -0.009 0.000 2.127 429 I HA -0.340 3.862 4.170 0.052 0.000 0.241 429 I C 2.635 178.710 176.117 -0.071 0.000 1.075 429 I CA 1.596 62.864 61.300 -0.053 0.000 1.334 429 I CB -1.154 36.819 38.000 -0.045 0.000 1.040 429 I HN 0.349 nan 8.210 nan 0.000 0.405 430 L N 0.316 121.512 121.223 -0.045 0.000 2.191 430 L HA -0.131 4.241 4.340 0.052 0.000 0.212 430 L C 2.528 179.364 176.870 -0.056 0.000 1.103 430 L CA 1.210 56.024 54.840 -0.043 0.000 0.769 430 L CB -0.861 41.191 42.059 -0.011 0.000 0.908 430 L HN 0.309 nan 8.230 nan 0.000 0.438 431 G N -0.193 108.555 108.800 -0.087 0.000 2.403 431 G HA2 -0.162 3.830 3.960 0.052 0.000 0.216 431 G HA3 -0.162 3.830 3.960 0.052 0.000 0.216 431 G C 1.591 176.231 174.900 -0.434 0.000 1.154 431 G CA 0.211 45.149 45.100 -0.270 0.000 0.784 431 G HN 0.234 nan 8.290 nan 0.000 0.538 432 L N 0.304 121.357 121.223 -0.283 0.000 2.201 432 L HA 0.033 4.404 4.340 0.052 0.000 0.212 432 L C 2.750 179.518 176.870 -0.170 0.000 1.105 432 L CA 0.460 55.155 54.840 -0.242 0.000 0.775 432 L CB -0.198 41.753 42.059 -0.181 0.000 0.913 432 L HN 0.142 nan 8.230 nan 0.000 0.440 433 M N -1.085 118.435 119.600 -0.132 0.000 2.492 433 M HA 0.022 4.533 4.480 0.052 0.000 0.262 433 M C 0.798 177.058 176.300 -0.068 0.000 1.090 433 M CA 0.928 56.172 55.300 -0.094 0.000 1.110 433 M CB -0.560 31.986 32.600 -0.091 0.000 1.407 433 M HN 0.182 nan 8.290 nan 0.000 0.470 434 M N 1.310 120.872 119.600 -0.064 0.000 2.216 434 M HA 0.231 4.742 4.480 0.052 0.000 0.356 434 M C -2.048 174.279 176.300 0.045 0.000 1.205 434 M CA -1.624 53.684 55.300 0.013 0.000 1.122 434 M CB 0.769 33.430 32.600 0.102 0.000 1.571 434 M HN -0.216 nan 8.290 nan 0.000 0.464 435 P HA 0.127 nan 4.420 nan 0.000 0.271 435 P C -2.182 175.212 177.300 0.157 0.000 1.216 435 P CA -0.999 62.178 63.100 0.129 0.000 0.776 435 P CB -0.070 31.756 31.700 0.210 0.000 0.881 436 P HA -0.357 nan 4.420 nan 0.000 0.216 436 P C 1.315 178.685 177.300 0.117 0.000 1.151 436 P CA 2.659 65.826 63.100 0.110 0.000 0.953 436 P CB -0.567 31.167 31.700 0.056 0.000 0.789 437 A N -1.403 121.434 122.820 0.028 0.000 1.978 437 A HA -0.266 4.085 4.320 0.052 0.000 0.220 437 A C 2.140 179.671 177.584 -0.089 0.000 1.170 437 A CA 1.768 53.768 52.037 -0.063 0.000 0.636 437 A CB -1.504 17.392 19.000 -0.173 0.000 0.810 437 A HN 0.325 nan 8.150 nan 0.000 0.448 438 H N -3.274 115.856 119.070 0.100 0.000 2.448 438 H HA -0.039 4.548 4.556 0.052 0.000 0.292 438 H C 1.929 177.353 175.328 0.160 0.000 1.035 438 H CA 1.538 57.645 56.048 0.099 0.000 1.349 438 H CB -0.359 29.434 29.762 0.053 0.000 1.425 438 H HN 0.658 nan 8.280 nan 0.000 0.539 439 Y N 2.562 122.953 120.300 0.151 0.000 2.181 439 Y HA -0.186 4.394 4.550 0.051 0.000 0.288 439 Y C 1.692 177.657 175.900 0.109 0.000 1.146 439 Y CA 1.373 59.537 58.100 0.108 0.000 1.164 439 Y CB -0.246 38.255 38.460 0.068 0.000 0.982 439 Y HN 0.032 nan 8.280 nan 0.000 0.515 440 D N 0.047 120.459 120.400 0.020 0.000 2.097 440 D HA -0.167 4.505 4.640 0.052 0.000 0.195 440 D C 2.350 178.662 176.300 0.021 0.000 0.989 440 D CA 1.628 55.594 54.000 -0.056 0.000 0.827 440 D CB -0.724 40.095 40.800 0.031 0.000 0.966 440 D HN 0.438 nan 8.370 nan 0.000 0.456 441 A N 0.908 123.811 122.820 0.138 0.000 1.908 441 A HA -0.243 4.108 4.320 0.052 0.000 0.218 441 A C 2.075 179.804 177.584 0.242 0.000 1.181 441 A CA 1.874 54.096 52.037 0.309 0.000 0.627 441 A CB -0.520 18.688 19.000 0.347 0.000 0.818 441 A HN 0.174 nan 8.150 nan 0.000 0.445 442 K N -1.087 119.424 120.400 0.185 0.000 2.025 442 K HA -0.192 4.159 4.320 0.052 0.000 0.207 442 K C 2.246 178.822 176.600 -0.039 0.000 1.049 442 K CA 1.419 57.782 56.287 0.126 0.000 0.933 442 K CB -0.166 32.428 32.500 0.156 0.000 0.714 442 K HN 0.387 nan 8.250 nan 0.000 0.438 443 Q N 0.918 120.639 119.800 -0.133 0.000 2.030 443 Q HA -0.169 4.203 4.340 0.052 0.000 0.204 443 Q C 2.316 178.274 176.000 -0.069 0.000 0.986 443 Q CA 1.487 57.190 55.803 -0.166 0.000 0.843 443 Q CB -0.549 28.014 28.738 -0.293 0.000 0.904 443 Q HN 0.358 nan 8.270 nan 0.000 0.420 444 L N 0.939 122.151 121.223 -0.018 0.000 2.042 444 L HA -0.202 4.169 4.340 0.052 0.000 0.210 444 L C 2.630 179.510 176.870 0.017 0.000 1.076 444 L CA 1.382 56.232 54.840 0.016 0.000 0.749 444 L CB -0.556 41.534 42.059 0.052 0.000 0.893 444 L HN 0.213 nan 8.230 nan 0.000 0.432 445 K N 0.658 121.052 120.400 -0.009 0.000 2.057 445 K HA -0.192 4.159 4.320 0.052 0.000 0.207 445 K C 2.049 178.559 176.600 -0.149 0.000 1.049 445 K CA 1.429 57.603 56.287 -0.189 0.000 0.931 445 K CB 0.045 32.056 32.500 -0.816 0.000 0.714 445 K HN 0.292 nan 8.250 nan 0.000 0.440 446 K N 0.099 120.432 120.400 -0.112 0.000 2.057 446 K HA -0.079 4.272 4.320 0.052 0.000 0.206 446 K C 2.181 178.759 176.600 -0.036 0.000 1.050 446 K CA 1.099 57.347 56.287 -0.065 0.000 0.935 446 K CB -0.174 32.300 32.500 -0.043 0.000 0.715 446 K HN 0.185 nan 8.250 nan 0.000 0.439 447 A N 1.131 123.936 122.820 -0.026 0.000 2.019 447 A HA -0.105 4.246 4.320 0.052 0.000 0.219 447 A C 1.938 179.522 177.584 0.000 0.000 1.164 447 A CA 1.391 53.427 52.037 -0.002 0.000 0.644 447 A CB -0.346 18.659 19.000 0.009 0.000 0.805 447 A HN 0.225 nan 8.150 nan 0.000 0.449 448 M N -0.178 119.413 119.600 -0.016 0.000 2.371 448 M HA 0.098 4.609 4.480 0.052 0.000 0.246 448 M C 0.313 176.603 176.300 -0.016 0.000 1.103 448 M CA 0.045 55.336 55.300 -0.014 0.000 1.010 448 M CB 0.222 32.808 32.600 -0.023 0.000 1.457 448 M HN 0.557 nan 8.290 nan 0.000 0.486 449 E N 0.795 120.980 120.200 -0.026 0.000 2.266 449 E HA 0.579 4.961 4.350 0.052 0.000 0.277 449 E C 0.405 176.998 176.600 -0.011 0.000 1.018 449 E CA -0.158 56.228 56.400 -0.024 0.000 0.840 449 E CB 1.205 30.880 29.700 -0.042 0.000 1.082 449 E HN 0.211 nan 8.360 nan 0.000 0.395 450 G N 1.560 110.357 108.800 -0.006 0.000 2.615 450 G HA2 -0.001 3.990 3.960 0.052 0.000 0.218 450 G HA3 -0.001 3.990 3.960 0.052 0.000 0.218 450 G C -0.426 174.476 174.900 0.003 0.000 1.339 450 G CA -0.431 44.669 45.100 -0.001 0.000 0.884 450 G HN 1.104 nan 8.290 nan 0.000 0.559 451 A N -0.126 122.697 122.820 0.005 0.000 2.328 451 A HA 0.943 5.294 4.320 0.052 0.000 0.284 451 A C 1.451 179.042 177.584 0.011 0.000 1.160 451 A CA 1.648 53.690 52.037 0.008 0.000 0.818 451 A CB 0.284 19.288 19.000 0.006 0.000 1.087 451 A HN 2.923 nan 8.150 nan 0.000 0.504 452 G N 1.104 109.914 108.800 0.016 0.000 2.795 452 G HA2 0.151 4.142 3.960 0.052 0.000 0.664 452 G HA3 0.151 4.142 3.960 0.052 0.000 0.664 452 G C -0.329 174.591 174.900 0.032 0.000 1.381 452 G CA -0.278 44.836 45.100 0.024 0.000 0.853 452 G HN 1.367 nan 8.290 nan 0.000 0.545 453 T N 0.290 114.874 114.554 0.050 0.000 2.841 453 T HA 0.495 4.876 4.350 0.052 0.000 0.283 453 T C -0.261 174.485 174.700 0.076 0.000 1.000 453 T CA -0.158 61.985 62.100 0.071 0.000 0.977 453 T CB 1.828 70.770 68.868 0.124 0.000 0.979 453 T HN 0.686 nan 8.240 nan 0.000 0.446 454 D N 2.156 122.598 120.400 0.069 0.000 2.801 454 D HA 0.107 4.778 4.640 0.052 0.000 0.232 454 D C 1.069 177.435 176.300 0.110 0.000 1.128 454 D CA -0.255 53.785 54.000 0.067 0.000 1.003 454 D CB 0.125 40.952 40.800 0.046 0.000 1.110 454 D HN 0.476 nan 8.370 nan 0.000 0.477 455 E N 0.642 120.930 120.200 0.147 0.000 2.164 455 E HA -0.284 4.097 4.350 0.052 0.000 0.206 455 E C 1.716 178.432 176.600 0.192 0.000 1.032 455 E CA 1.398 57.941 56.400 0.239 0.000 0.832 455 E CB 0.015 29.717 29.700 0.004 0.000 0.742 455 E HN 0.354 nan 8.360 nan 0.000 0.460 456 K N -0.140 120.324 120.400 0.106 0.000 2.063 456 K HA -0.143 4.208 4.320 0.052 0.000 0.208 456 K C 2.152 178.829 176.600 0.128 0.000 1.048 456 K CA 1.231 57.580 56.287 0.103 0.000 0.928 456 K CB -0.172 32.370 32.500 0.070 0.000 0.713 456 K HN 0.199 nan 8.250 nan 0.000 0.442 457 A N 1.177 124.061 122.820 0.107 0.000 1.858 457 A HA -0.144 4.208 4.320 0.052 0.000 0.216 457 A C 2.095 179.739 177.584 0.100 0.000 1.190 457 A CA 1.279 53.373 52.037 0.095 0.000 0.617 457 A CB -0.685 18.349 19.000 0.057 0.000 0.827 457 A HN 0.243 nan 8.150 nan 0.000 0.443 458 L N -0.516 120.765 121.223 0.097 0.000 2.012 458 L HA -0.227 4.144 4.340 0.052 0.000 0.210 458 L C 2.554 179.476 176.870 0.088 0.000 1.073 458 L CA 1.490 56.368 54.840 0.062 0.000 0.748 458 L CB -0.699 41.375 42.059 0.026 0.000 0.891 458 L HN 0.393 nan 8.230 nan 0.000 0.431 459 I N -0.162 120.506 120.570 0.163 0.000 2.076 459 I HA -0.344 3.857 4.170 0.052 0.000 0.237 459 I C 2.687 178.896 176.117 0.154 0.000 1.059 459 I CA 1.690 63.088 61.300 0.164 0.000 1.317 459 I CB -0.475 37.647 38.000 0.203 0.000 1.037 459 I HN 0.360 nan 8.210 nan 0.000 0.398 460 E N 1.381 121.715 120.200 0.222 0.000 2.136 460 E HA -0.287 4.094 4.350 0.052 0.000 0.208 460 E C 2.193 178.942 176.600 0.248 0.000 1.035 460 E CA 2.101 58.689 56.400 0.314 0.000 0.838 460 E CB -0.138 29.757 29.700 0.325 0.000 0.748 460 E HN 0.479 nan 8.360 nan 0.000 0.459 461 I N 0.426 121.104 120.570 0.179 0.000 2.141 461 I HA -0.254 3.947 4.170 0.052 0.000 0.236 461 I C 2.503 178.673 176.117 0.088 0.000 1.071 461 I CA 0.786 62.170 61.300 0.140 0.000 1.345 461 I CB -0.240 37.808 38.000 0.080 0.000 1.066 461 I HN 0.183 nan 8.210 nan 0.000 0.406 462 L N 0.621 121.872 121.223 0.046 0.000 2.261 462 L HA -0.156 4.215 4.340 0.052 0.000 0.216 462 L C 2.103 178.985 176.870 0.019 0.000 1.114 462 L CA 0.920 55.767 54.840 0.012 0.000 0.777 462 L CB -0.585 41.456 42.059 -0.030 0.000 0.910 462 L HN 0.289 nan 8.230 nan 0.000 0.440 463 A N -2.121 120.713 122.820 0.023 0.000 2.423 463 A HA 0.170 4.522 4.320 0.052 0.000 0.246 463 A C 1.736 179.297 177.584 -0.039 0.000 1.278 463 A CA 0.279 52.312 52.037 -0.007 0.000 0.903 463 A CB 0.030 19.003 19.000 -0.044 0.000 0.997 463 A HN 0.216 nan 8.150 nan 0.000 0.510 464 T N -1.147 113.419 114.554 0.021 0.000 3.057 464 T HA 0.183 4.564 4.350 0.052 0.000 0.254 464 T C 0.657 175.425 174.700 0.114 0.000 0.965 464 T CA -0.092 62.043 62.100 0.058 0.000 0.978 464 T CB 0.115 69.083 68.868 0.167 0.000 1.169 464 T HN 0.263 nan 8.240 nan 0.000 0.489 465 R N 3.129 123.685 120.500 0.093 0.000 2.738 465 R HA 0.385 4.757 4.340 0.052 0.000 0.268 465 R C 0.802 177.099 176.300 -0.004 0.000 1.062 465 R CA -0.039 56.095 56.100 0.058 0.000 1.158 465 R CB 0.051 30.379 30.300 0.047 0.000 1.046 465 R HN 0.428 nan 8.270 nan 0.000 0.493 466 T N -1.594 112.943 114.554 -0.030 0.000 2.897 466 T HA 0.228 4.609 4.350 0.052 0.000 0.278 466 T C 1.095 175.757 174.700 -0.064 0.000 0.981 466 T CA -0.803 61.246 62.100 -0.086 0.000 0.973 466 T CB 0.813 69.626 68.868 -0.092 0.000 1.092 466 T HN 0.327 nan 8.240 nan 0.000 0.543 467 N N 0.621 119.274 118.700 -0.079 0.000 2.061 467 N HA -0.126 4.646 4.740 0.052 0.000 0.193 467 N C 2.202 177.688 175.510 -0.040 0.000 1.030 467 N CA 1.745 54.761 53.050 -0.056 0.000 0.856 467 N CB -1.071 37.381 38.487 -0.059 0.000 1.023 467 N HN 0.816 nan 8.380 nan 0.000 0.424 468 A N 1.189 123.985 122.820 -0.039 0.000 1.902 468 A HA -0.138 4.213 4.320 0.052 0.000 0.217 468 A C 2.147 179.718 177.584 -0.022 0.000 1.181 468 A CA 1.465 53.486 52.037 -0.028 0.000 0.623 468 A CB -0.521 18.463 19.000 -0.026 0.000 0.818 468 A HN 0.352 nan 8.150 nan 0.000 0.443 469 E N -0.423 119.765 120.200 -0.019 0.000 2.072 469 E HA -0.132 4.250 4.350 0.052 0.000 0.191 469 E C 1.846 178.441 176.600 -0.009 0.000 0.985 469 E CA 1.035 57.430 56.400 -0.007 0.000 0.801 469 E CB -0.163 29.541 29.700 0.006 0.000 0.750 469 E HN 0.498 nan 8.360 nan 0.000 0.452 470 I N 1.169 121.730 120.570 -0.015 0.000 2.315 470 I HA -0.240 3.962 4.170 0.052 0.000 0.248 470 I C 2.233 178.338 176.117 -0.020 0.000 1.117 470 I CA 1.430 62.719 61.300 -0.018 0.000 1.404 470 I CB -0.889 37.096 38.000 -0.025 0.000 1.071 470 I HN 0.172 nan 8.210 nan 0.000 0.419 471 Q N 0.461 120.249 119.800 -0.021 0.000 2.050 471 Q HA -0.128 4.244 4.340 0.052 0.000 0.202 471 Q C 2.445 178.435 176.000 -0.018 0.000 0.980 471 Q CA 2.131 57.923 55.803 -0.018 0.000 0.840 471 Q CB -0.248 28.479 28.738 -0.018 0.000 0.898 471 Q HN 0.532 nan 8.270 nan 0.000 0.424 472 A N 0.479 123.284 122.820 -0.025 0.000 1.940 472 A HA -0.201 4.150 4.320 0.052 0.000 0.219 472 A C 2.012 179.563 177.584 -0.056 0.000 1.176 472 A CA 1.279 53.290 52.037 -0.043 0.000 0.631 472 A CB -0.686 18.287 19.000 -0.044 0.000 0.814 472 A HN 0.356 nan 8.150 nan 0.000 0.446 473 I N -0.203 120.351 120.570 -0.026 0.000 2.163 473 I HA -0.260 3.941 4.170 0.052 0.000 0.240 473 I C 2.228 178.374 176.117 0.049 0.000 1.081 473 I CA 1.205 62.509 61.300 0.006 0.000 1.353 473 I CB -0.499 37.514 38.000 0.021 0.000 1.054 473 I HN 0.336 nan 8.210 nan 0.000 0.407 474 N N 1.013 119.725 118.700 0.021 0.000 2.137 474 N HA -0.267 4.505 4.740 0.052 0.000 0.190 474 N C 1.793 177.347 175.510 0.073 0.000 1.017 474 N CA 1.529 54.596 53.050 0.028 0.000 0.859 474 N CB -0.250 38.233 38.487 -0.008 0.000 1.002 474 N HN 0.426 nan 8.380 nan 0.000 0.428 475 K N 0.931 121.353 120.400 0.037 0.000 2.007 475 K HA 0.037 4.388 4.320 0.052 0.000 0.206 475 K C 2.037 178.661 176.600 0.039 0.000 1.047 475 K CA 1.146 57.453 56.287 0.034 0.000 0.937 475 K CB -0.168 32.333 32.500 0.002 0.000 0.718 475 K HN 0.020 nan 8.250 nan 0.000 0.438 476 A N 0.202 122.999 122.820 -0.037 0.000 2.032 476 A HA -0.203 4.148 4.320 0.052 0.000 0.221 476 A C 2.022 179.642 177.584 0.060 0.000 1.165 476 A CA 1.425 53.398 52.037 -0.106 0.000 0.645 476 A CB -0.843 17.863 19.000 -0.489 0.000 0.807 476 A HN 0.598 nan 8.150 nan 0.000 0.453 477 Y N 0.060 120.382 120.300 0.038 0.000 2.130 477 Y HA -0.130 4.450 4.550 0.051 0.000 0.287 477 Y C 2.402 178.356 175.900 0.090 0.000 1.124 477 Y CA 2.003 60.195 58.100 0.153 0.000 1.118 477 Y CB -0.048 38.492 38.460 0.135 0.000 0.994 477 Y HN 0.074 nan 8.280 nan 0.000 0.497 478 K N 0.908 121.466 120.400 0.263 0.000 2.089 478 K HA -0.229 4.122 4.320 0.052 0.000 0.210 478 K C 1.769 178.387 176.600 0.031 0.000 1.048 478 K CA 1.929 58.315 56.287 0.165 0.000 0.926 478 K CB -0.349 32.230 32.500 0.132 0.000 0.714 478 K HN 0.562 nan 8.250 nan 0.000 0.448 479 E N 0.410 120.602 120.200 -0.013 0.000 1.996 479 E HA -0.168 4.213 4.350 0.052 0.000 0.197 479 E C 1.756 178.148 176.600 -0.347 0.000 1.002 479 E CA 1.519 57.874 56.400 -0.075 0.000 0.840 479 E CB -0.165 29.538 29.700 0.004 0.000 0.786 479 E HN 0.234 nan 8.360 nan 0.000 0.469 480 D N -0.125 119.992 120.400 -0.470 0.000 2.126 480 D HA -0.179 4.492 4.640 0.052 0.000 0.190 480 D C 0.155 175.763 176.300 -1.153 0.000 1.001 480 D CA 1.505 54.974 54.000 -0.884 0.000 0.841 480 D CB -0.313 39.723 40.800 -1.273 0.000 0.949 480 D HN 0.262 nan 8.370 nan 0.000 0.446 481 Y N -0.518 119.480 120.300 -0.504 0.000 2.575 481 Y HA 0.360 4.941 4.550 0.052 0.000 0.326 481 Y C -0.428 175.279 175.900 -0.322 0.000 0.979 481 Y CA -1.060 56.746 58.100 -0.490 0.000 1.286 481 Y CB -0.375 37.752 38.460 -0.555 0.000 1.093 481 Y HN -0.058 nan 8.280 nan 0.000 0.501 482 H N 2.732 121.839 119.070 0.061 0.000 3.991 482 H HA 0.174 4.762 4.556 0.053 0.000 0.212 482 H C 0.000 175.401 175.328 0.122 0.000 1.175 482 H CA 0.404 56.496 56.048 0.075 0.000 1.482 482 H CB -0.167 29.620 29.762 0.041 0.000 1.690 482 H HN 0.526 nan 8.280 nan 0.000 0.673 483 K N 1.150 121.690 120.400 0.234 0.000 2.712 483 K HA 0.085 4.436 4.320 0.052 0.000 0.274 483 K C -0.708 176.053 176.600 0.268 0.000 1.025 483 K CA -0.589 55.835 56.287 0.228 0.000 0.904 483 K CB 1.168 33.811 32.500 0.239 0.000 1.392 483 K HN 0.476 nan 8.250 nan 0.000 0.392 484 T N 0.792 115.433 114.554 0.145 0.000 2.918 484 T HA 0.117 4.499 4.350 0.052 0.000 0.302 484 T C 1.263 175.926 174.700 -0.063 0.000 1.045 484 T CA -0.626 61.516 62.100 0.071 0.000 1.114 484 T CB 0.860 69.741 68.868 0.022 0.000 0.965 484 T HN 0.537 nan 8.240 nan 0.000 0.540 485 L N 1.188 122.275 121.223 -0.225 0.000 2.127 485 L HA -0.034 4.337 4.340 0.052 0.000 0.211 485 L C 2.507 179.173 176.870 -0.340 0.000 1.089 485 L CA 2.173 56.671 54.840 -0.570 0.000 0.757 485 L CB -1.004 40.776 42.059 -0.464 0.000 0.899 485 L HN 0.996 nan 8.230 nan 0.000 0.434 486 E N -0.984 119.105 120.200 -0.184 0.000 2.028 486 E HA -0.238 4.144 4.350 0.052 0.000 0.190 486 E C 1.719 178.255 176.600 -0.106 0.000 0.984 486 E CA 1.367 57.688 56.400 -0.132 0.000 0.800 486 E CB -0.269 29.382 29.700 -0.082 0.000 0.758 486 E HN 0.449 nan 8.360 nan 0.000 0.448 487 D N 0.682 121.041 120.400 -0.068 0.000 2.133 487 D HA -0.187 4.484 4.640 0.052 0.000 0.195 487 D C 1.877 178.154 176.300 -0.038 0.000 0.997 487 D CA 1.704 55.685 54.000 -0.032 0.000 0.840 487 D CB -0.423 40.381 40.800 0.008 0.000 0.947 487 D HN 0.385 nan 8.370 nan 0.000 0.452 488 A N 0.326 123.109 122.820 -0.063 0.000 1.877 488 A HA -0.132 4.219 4.320 0.052 0.000 0.216 488 A C 2.396 179.927 177.584 -0.088 0.000 1.186 488 A CA 1.001 53.007 52.037 -0.052 0.000 0.620 488 A CB -0.823 18.123 19.000 -0.090 0.000 0.822 488 A HN 0.234 nan 8.150 nan 0.000 0.443 489 L N 0.355 121.492 121.223 -0.143 0.000 2.042 489 L HA -0.204 4.167 4.340 0.052 0.000 0.210 489 L C 2.763 179.568 176.870 -0.109 0.000 1.076 489 L CA 1.674 56.425 54.840 -0.148 0.000 0.749 489 L CB -0.502 41.446 42.059 -0.185 0.000 0.893 489 L HN 0.452 nan 8.230 nan 0.000 0.432 490 S N -1.544 114.106 115.700 -0.085 0.000 2.474 490 S HA -0.089 4.412 4.470 0.052 0.000 0.235 490 S C 1.984 176.561 174.600 -0.039 0.000 0.997 490 S CA 1.028 59.193 58.200 -0.059 0.000 0.949 490 S CB -0.051 63.121 63.200 -0.045 0.000 0.766 490 S HN 0.302 nan 8.310 nan 0.000 0.517 491 S N 1.182 116.862 115.700 -0.034 0.000 2.458 491 S HA 0.072 4.573 4.470 0.052 0.000 0.223 491 S C 1.296 175.887 174.600 -0.014 0.000 1.019 491 S CA 0.642 58.832 58.200 -0.016 0.000 0.937 491 S CB -0.073 63.125 63.200 -0.004 0.000 0.788 491 S HN 0.515 nan 8.310 nan 0.000 0.511 492 D N 0.684 121.070 120.400 -0.024 0.000 2.423 492 D HA 0.109 4.781 4.640 0.052 0.000 0.208 492 D C 0.661 176.960 176.300 -0.003 0.000 1.068 492 D CA 0.428 54.421 54.000 -0.012 0.000 0.860 492 D CB 0.628 41.420 40.800 -0.014 0.000 0.992 492 D HN 0.442 nan 8.370 nan 0.000 0.504 493 T N -2.632 111.906 114.554 -0.027 0.000 2.888 493 T HA 0.779 5.160 4.350 0.052 0.000 0.288 493 T C -0.178 174.514 174.700 -0.013 0.000 1.063 493 T CA -0.496 61.599 62.100 -0.008 0.000 1.010 493 T CB 1.939 70.749 68.868 -0.097 0.000 1.214 493 T HN 0.012 nan 8.240 nan 0.000 0.533 494 S N -1.524 114.187 115.700 0.018 0.000 2.661 494 S HA 0.812 5.313 4.470 0.052 0.000 0.268 494 S C 0.447 175.053 174.600 0.010 0.000 1.162 494 S CA -0.102 58.096 58.200 -0.003 0.000 0.817 494 S CB 0.718 63.915 63.200 -0.004 0.000 1.141 494 S HN 2.566 nan 8.310 nan 0.000 0.477 495 G N 0.830 109.598 108.800 -0.054 0.000 2.598 495 G HA2 -0.199 3.793 3.960 0.052 0.000 0.244 495 G HA3 -0.199 3.793 3.960 0.052 0.000 0.244 495 G C 0.383 175.207 174.900 -0.126 0.000 1.302 495 G CA 0.460 45.471 45.100 -0.149 0.000 0.903 495 G HN 1.117 nan 8.290 nan 0.000 0.575 496 H N -0.800 118.329 119.070 0.098 0.000 2.423 496 H HA -0.024 4.563 4.556 0.052 0.000 0.297 496 H C 2.393 177.801 175.328 0.133 0.000 1.075 496 H CA 1.822 57.934 56.048 0.108 0.000 1.342 496 H CB -0.195 29.639 29.762 0.120 0.000 1.395 496 H HN 0.401 nan 8.280 nan 0.000 0.530 497 F N 2.707 122.699 119.950 0.070 0.000 2.161 497 F HA -0.171 4.386 4.527 0.051 0.000 0.300 497 F C 2.421 178.208 175.800 -0.022 0.000 1.089 497 F CA 1.436 59.433 58.000 -0.005 0.000 1.282 497 F CB -0.159 38.834 39.000 -0.011 0.000 1.010 497 F HN -0.007 nan 8.300 nan 0.000 0.485 498 K N 0.355 120.708 120.400 -0.078 0.000 2.062 498 K HA -0.134 4.217 4.320 0.052 0.000 0.205 498 K C 2.311 178.837 176.600 -0.124 0.000 1.051 498 K CA 0.953 57.126 56.287 -0.190 0.000 0.941 498 K CB -0.199 32.239 32.500 -0.103 0.000 0.719 498 K HN 0.224 nan 8.250 nan 0.000 0.440 499 R N 0.455 120.935 120.500 -0.033 0.000 2.073 499 R HA -0.074 4.297 4.340 0.052 0.000 0.234 499 R C 2.474 178.776 176.300 0.004 0.000 1.134 499 R CA 1.719 57.822 56.100 0.005 0.000 0.952 499 R CB -0.392 29.950 30.300 0.070 0.000 0.850 499 R HN 0.243 nan 8.270 nan 0.000 0.433 500 I N 0.782 121.362 120.570 0.016 0.000 2.179 500 I HA -0.297 3.904 4.170 0.052 0.000 0.242 500 I C 2.385 178.457 176.117 -0.075 0.000 1.088 500 I CA 1.256 62.555 61.300 -0.001 0.000 1.357 500 I CB -0.287 37.679 38.000 -0.057 0.000 1.051 500 I HN 0.154 nan 8.210 nan 0.000 0.409 501 L N 0.361 121.475 121.223 -0.182 0.000 1.989 501 L HA -0.249 4.122 4.340 0.052 0.000 0.211 501 L C 2.613 179.389 176.870 -0.157 0.000 1.071 501 L CA 1.765 56.466 54.840 -0.232 0.000 0.749 501 L CB -0.501 41.287 42.059 -0.452 0.000 0.890 501 L HN 0.249 nan 8.230 nan 0.000 0.431 502 I N -0.814 119.669 120.570 -0.146 0.000 2.335 502 I HA -0.346 3.855 4.170 0.052 0.000 0.251 502 I C 2.839 178.916 176.117 -0.068 0.000 1.129 502 I CA 1.275 62.511 61.300 -0.107 0.000 1.402 502 I CB -0.173 37.774 38.000 -0.088 0.000 1.069 502 I HN 0.256 nan 8.210 nan 0.000 0.424 503 S N 0.931 116.605 115.700 -0.043 0.000 2.348 503 S HA -0.150 4.351 4.470 0.052 0.000 0.221 503 S C 2.025 176.614 174.600 -0.018 0.000 1.033 503 S CA 1.362 59.553 58.200 -0.014 0.000 1.010 503 S CB -0.283 62.929 63.200 0.019 0.000 0.891 503 S HN 0.351 nan 8.310 nan 0.000 0.442 504 L N 1.177 122.386 121.223 -0.024 0.000 2.083 504 L HA -0.005 4.366 4.340 0.052 0.000 0.209 504 L C 2.571 179.419 176.870 -0.036 0.000 1.083 504 L CA 1.103 55.931 54.840 -0.019 0.000 0.752 504 L CB -0.578 41.470 42.059 -0.018 0.000 0.899 504 L HN 0.386 nan 8.230 nan 0.000 0.433 505 A N -0.358 122.425 122.820 -0.062 0.000 2.258 505 A HA -0.062 4.289 4.320 0.052 0.000 0.206 505 A C 2.021 179.568 177.584 -0.062 0.000 1.222 505 A CA 1.307 53.298 52.037 -0.076 0.000 0.822 505 A CB -0.853 18.077 19.000 -0.117 0.000 0.804 505 A HN 0.524 nan 8.150 nan 0.000 0.483 506 T N -4.870 109.657 114.554 -0.044 0.000 3.022 506 T HA 0.352 4.733 4.350 0.052 0.000 0.250 506 T C 1.388 176.070 174.700 -0.029 0.000 1.060 506 T CA 0.929 63.008 62.100 -0.035 0.000 1.013 506 T CB -0.260 68.593 68.868 -0.026 0.000 0.982 506 T HN 1.473 nan 8.240 nan 0.000 0.508 507 G N 2.329 111.111 108.800 -0.030 0.000 2.416 507 G HA2 -0.309 3.683 3.960 0.052 0.000 0.301 507 G HA3 -0.309 3.683 3.960 0.052 0.000 0.301 507 G C 0.141 175.024 174.900 -0.029 0.000 0.985 507 G CA 0.449 45.531 45.100 -0.031 0.000 0.934 507 G HN 0.743 nan 8.290 nan 0.000 0.513 508 N N -0.540 118.145 118.700 -0.025 0.000 2.735 508 N HA 0.214 4.985 4.740 0.052 0.000 0.312 508 N C 0.284 175.782 175.510 -0.022 0.000 1.843 508 N CA -0.513 52.523 53.050 -0.023 0.000 0.945 508 N CB 0.222 38.698 38.487 -0.018 0.000 1.299 508 N HN 0.537 nan 8.380 nan 0.000 0.489 509 R N 0.526 121.009 120.500 -0.029 0.000 2.540 509 R HA 0.288 4.659 4.340 0.052 0.000 0.287 509 R C -0.421 175.858 176.300 -0.035 0.000 0.980 509 R CA -0.453 55.631 56.100 -0.026 0.000 0.966 509 R CB 0.981 31.264 30.300 -0.028 0.000 1.106 509 R HN 0.377 nan 8.270 nan 0.000 0.480 510 E N 1.693 121.876 120.200 -0.029 0.000 2.437 510 E HA -0.085 4.297 4.350 0.052 0.000 0.263 510 E C 0.222 176.798 176.600 -0.040 0.000 1.030 510 E CA 0.404 56.785 56.400 -0.032 0.000 0.934 510 E CB 0.763 30.444 29.700 -0.032 0.000 0.943 510 E HN 0.583 nan 8.360 nan 0.000 0.444 511 E N 1.549 121.725 120.200 -0.039 0.000 2.364 511 E HA 0.066 4.447 4.350 0.052 0.000 0.203 511 E C 1.051 177.630 176.600 -0.034 0.000 0.888 511 E CA -0.025 56.349 56.400 -0.044 0.000 0.989 511 E CB 0.379 30.053 29.700 -0.043 0.000 0.985 511 E HN 0.584 nan 8.360 nan 0.000 0.499 512 G N 1.548 110.330 108.800 -0.030 0.000 2.855 512 G HA2 0.144 4.136 3.960 0.052 0.000 0.248 512 G HA3 0.144 4.136 3.960 0.052 0.000 0.248 512 G C 0.545 175.429 174.900 -0.026 0.000 1.243 512 G CA 0.152 45.236 45.100 -0.026 0.000 0.881 512 G HN 0.154 nan 8.290 nan 0.000 0.598 513 G N -1.027 107.759 108.800 -0.024 0.000 2.570 513 G HA2 0.445 4.436 3.960 0.052 0.000 0.276 513 G HA3 0.445 4.436 3.960 0.052 0.000 0.276 513 G C 0.399 175.278 174.900 -0.035 0.000 1.346 513 G CA 0.133 45.218 45.100 -0.024 0.000 1.034 513 G HN 0.915 nan 8.290 nan 0.000 0.512 514 E N -1.206 118.970 120.200 -0.040 0.000 2.392 514 E HA 0.242 4.623 4.350 0.052 0.000 0.259 514 E C -1.209 175.362 176.600 -0.049 0.000 1.108 514 E CA -0.319 56.047 56.400 -0.057 0.000 0.916 514 E CB 1.228 30.890 29.700 -0.065 0.000 0.989 514 E HN 0.238 nan 8.360 nan 0.000 0.432 515 D N 1.208 121.574 120.400 -0.058 0.000 2.363 515 D HA 0.187 4.858 4.640 0.052 0.000 0.258 515 D C 0.383 176.655 176.300 -0.046 0.000 1.259 515 D CA -0.535 53.438 54.000 -0.045 0.000 0.921 515 D CB 0.526 41.299 40.800 -0.044 0.000 1.201 515 D HN 0.519 nan 8.370 nan 0.000 0.524 516 R N 1.184 121.662 120.500 -0.036 0.000 2.244 516 R HA -0.212 4.159 4.340 0.052 0.000 0.252 516 R C 1.141 177.426 176.300 -0.024 0.000 1.177 516 R CA 1.789 57.872 56.100 -0.028 0.000 1.004 516 R CB 0.236 30.528 30.300 -0.014 0.000 0.873 516 R HN 0.538 nan 8.270 nan 0.000 0.469 517 E N -0.510 119.676 120.200 -0.024 0.000 2.006 517 E HA -0.120 4.261 4.350 0.052 0.000 0.192 517 E C 2.033 178.619 176.600 -0.024 0.000 0.993 517 E CA 0.791 57.179 56.400 -0.020 0.000 0.808 517 E CB -0.088 29.602 29.700 -0.018 0.000 0.764 517 E HN 0.145 nan 8.360 nan 0.000 0.449 518 R N 0.415 120.895 120.500 -0.034 0.000 2.096 518 R HA -0.097 4.274 4.340 0.052 0.000 0.235 518 R C 2.271 178.540 176.300 -0.052 0.000 1.127 518 R CA 0.935 57.011 56.100 -0.041 0.000 0.968 518 R CB -0.343 29.927 30.300 -0.050 0.000 0.861 518 R HN 0.164 nan 8.270 nan 0.000 0.440 519 A N 1.201 123.983 122.820 -0.064 0.000 1.852 519 A HA -0.255 4.096 4.320 0.052 0.000 0.217 519 A C 2.132 179.689 177.584 -0.045 0.000 1.215 519 A CA 1.759 53.746 52.037 -0.083 0.000 0.641 519 A CB -0.659 18.289 19.000 -0.087 0.000 0.838 519 A HN 0.273 nan 8.150 nan 0.000 0.450 520 R N -0.763 119.727 120.500 -0.017 0.000 2.139 520 R HA -0.181 4.190 4.340 0.052 0.000 0.243 520 R C 2.230 178.541 176.300 0.020 0.000 1.145 520 R CA 1.796 57.903 56.100 0.012 0.000 0.976 520 R CB -0.241 30.066 30.300 0.012 0.000 0.866 520 R HN 0.772 nan 8.270 nan 0.000 0.449 521 E N -0.114 120.088 120.200 0.002 0.000 2.028 521 E HA -0.160 4.221 4.350 0.052 0.000 0.191 521 E C 1.532 178.138 176.600 0.011 0.000 0.988 521 E CA 1.373 57.777 56.400 0.007 0.000 0.799 521 E CB 0.082 29.778 29.700 -0.006 0.000 0.755 521 E HN 0.263 nan 8.360 nan 0.000 0.447 522 D N 0.329 120.718 120.400 -0.018 0.000 2.123 522 D HA -0.189 4.482 4.640 0.052 0.000 0.196 522 D C 1.829 178.136 176.300 0.012 0.000 0.992 522 D CA 1.319 55.297 54.000 -0.037 0.000 0.833 522 D CB -0.342 40.393 40.800 -0.108 0.000 0.954 522 D HN 0.201 nan 8.370 nan 0.000 0.455 523 A N 0.742 123.589 122.820 0.044 0.000 1.940 523 A HA -0.258 4.094 4.320 0.052 0.000 0.219 523 A C 2.150 179.889 177.584 0.258 0.000 1.176 523 A CA 1.610 53.755 52.037 0.179 0.000 0.631 523 A CB -0.672 18.440 19.000 0.188 0.000 0.814 523 A HN 0.227 nan 8.150 nan 0.000 0.446 524 Q N -0.800 119.090 119.800 0.150 0.000 2.124 524 Q HA -0.102 4.270 4.340 0.052 0.000 0.202 524 Q C 2.087 178.173 176.000 0.144 0.000 0.977 524 Q CA 1.467 57.350 55.803 0.134 0.000 0.850 524 Q CB -0.253 28.529 28.738 0.074 0.000 0.901 524 Q HN 0.489 nan 8.270 nan 0.000 0.429 525 V N 0.471 120.457 119.914 0.120 0.000 2.343 525 V HA -0.288 3.863 4.120 0.052 0.000 0.247 525 V C 2.118 178.318 176.094 0.175 0.000 1.051 525 V CA 1.868 64.238 62.300 0.117 0.000 1.036 525 V CB -0.718 31.158 31.823 0.088 0.000 0.654 525 V HN 0.426 nan 8.190 nan 0.000 0.451 526 A N -0.457 122.501 122.820 0.230 0.000 1.968 526 A HA 0.012 4.364 4.320 0.052 0.000 0.217 526 A C 2.362 180.170 177.584 0.373 0.000 1.169 526 A CA 1.674 53.851 52.037 0.232 0.000 0.638 526 A CB -0.539 18.423 19.000 -0.062 0.000 0.812 526 A HN 0.554 nan 8.150 nan 0.000 0.446 527 A N -0.312 122.817 122.820 0.514 0.000 1.930 527 A HA -0.114 4.237 4.320 0.052 0.000 0.217 527 A C 1.923 179.604 177.584 0.162 0.000 1.175 527 A CA 1.549 53.814 52.037 0.380 0.000 0.627 527 A CB -0.398 18.726 19.000 0.207 0.000 0.815 527 A HN 0.604 nan 8.150 nan 0.000 0.443 528 E N -0.287 119.983 120.200 0.116 0.000 2.047 528 E HA -0.125 4.256 4.350 0.052 0.000 0.191 528 E C 1.784 178.388 176.600 0.006 0.000 0.987 528 E CA 1.055 57.484 56.400 0.049 0.000 0.799 528 E CB -0.238 29.487 29.700 0.042 0.000 0.752 528 E HN 0.660 nan 8.360 nan 0.000 0.449 529 I N 1.159 121.718 120.570 -0.018 0.000 2.399 529 I HA -0.208 3.994 4.170 0.052 0.000 0.254 529 I C 1.414 177.467 176.117 -0.106 0.000 1.146 529 I CA 0.197 61.432 61.300 -0.107 0.000 1.412 529 I CB -0.128 37.718 38.000 -0.257 0.000 1.076 529 I HN 0.141 nan 8.210 nan 0.000 0.432 546 R N 0.219 120.765 120.500 0.077 0.000 2.073 546 R HA 0.147 4.519 4.340 0.052 0.000 0.234 546 R C 2.129 178.461 176.300 0.054 0.000 1.134 546 R CA 1.912 58.045 56.100 0.055 0.000 0.952 546 R CB -0.485 29.844 30.300 0.049 0.000 0.850 546 R HN 0.340 nan 8.270 nan 0.000 0.433 547 F N 1.381 121.281 119.950 -0.084 0.000 2.091 547 F HA -0.338 4.220 4.527 0.052 0.000 0.299 547 F C 2.454 178.162 175.800 -0.154 0.000 1.103 547 F CA 2.183 60.085 58.000 -0.163 0.000 1.228 547 F CB -0.306 38.538 39.000 -0.261 0.000 0.984 547 F HN 0.007 nan 8.300 nan 0.000 0.477 548 M N -0.609 119.054 119.600 0.105 0.000 2.065 548 M HA -0.294 4.217 4.480 0.052 0.000 0.259 548 M C 2.242 178.575 176.300 0.056 0.000 1.069 548 M CA 2.175 57.579 55.300 0.173 0.000 1.110 548 M CB -0.285 32.492 32.600 0.295 0.000 1.328 548 M HN 0.317 nan 8.290 nan 0.000 0.405 549 M N 0.687 120.303 119.600 0.028 0.000 2.106 549 M HA -0.182 4.329 4.480 0.052 0.000 0.259 549 M C 1.805 178.069 176.300 -0.060 0.000 1.068 549 M CA 1.997 57.296 55.300 -0.002 0.000 1.100 549 M CB -0.538 32.062 32.600 -0.000 0.000 1.351 549 M HN 0.368 nan 8.290 nan 0.000 0.404 550 I N -1.106 119.382 120.570 -0.137 0.000 2.179 550 I HA -0.292 3.910 4.170 0.052 0.000 0.242 550 I C 1.842 177.822 176.117 -0.228 0.000 1.088 550 I CA 0.756 61.932 61.300 -0.206 0.000 1.357 550 I CB -0.399 37.422 38.000 -0.298 0.000 1.051 550 I HN 0.214 nan 8.210 nan 0.000 0.409 551 L N -0.408 120.640 121.223 -0.291 0.000 2.395 551 L HA -0.121 4.250 4.340 0.052 0.000 0.218 551 L C 1.974 178.846 176.870 0.003 0.000 1.130 551 L CA 1.376 56.109 54.840 -0.178 0.000 0.826 551 L CB -0.844 41.078 42.059 -0.227 0.000 0.941 551 L HN 0.432 nan 8.230 nan 0.000 0.451 552 C N -1.966 117.347 119.300 0.020 0.000 3.019 552 C HA 0.109 4.601 4.460 0.052 0.000 0.295 552 C C 2.368 177.376 174.990 0.030 0.000 1.256 552 C CA 0.142 59.195 59.018 0.058 0.000 1.706 552 C CB 0.254 28.041 27.740 0.078 0.000 2.153 552 C HN 0.445 nan 8.230 nan 0.000 0.618 553 T N -0.453 114.099 114.554 -0.002 0.000 3.038 553 T HA 0.101 4.482 4.350 0.052 0.000 0.244 553 T C 0.802 175.490 174.700 -0.020 0.000 1.016 553 T CA 0.202 62.295 62.100 -0.011 0.000 1.098 553 T CB 0.081 68.937 68.868 -0.021 0.000 0.954 553 T HN 0.218 nan 8.240 nan 0.000 0.469 554 R N 3.468 123.942 120.500 -0.044 0.000 2.590 554 R HA 0.294 4.665 4.340 0.052 0.000 0.274 554 R C 0.718 177.017 176.300 -0.002 0.000 1.061 554 R CA -0.095 55.970 56.100 -0.058 0.000 1.081 554 R CB 0.162 30.383 30.300 -0.131 0.000 0.984 554 R HN 0.472 nan 8.270 nan 0.000 0.448 555 S N 1.983 117.678 115.700 -0.009 0.000 2.579 555 S HA 0.028 4.530 4.470 0.052 0.000 0.275 555 S C 1.067 175.741 174.600 0.124 0.000 1.345 555 S CA -0.426 57.797 58.200 0.039 0.000 1.031 555 S CB 0.384 63.579 63.200 -0.008 0.000 0.892 555 S HN 0.463 nan 8.310 nan 0.000 0.529 556 Y N 2.507 122.763 120.300 -0.073 0.000 2.151 556 Y HA 0.038 4.617 4.550 0.049 0.000 0.284 556 Y C -0.634 175.209 175.900 -0.095 0.000 1.166 556 Y CA 0.991 59.052 58.100 -0.066 0.000 1.163 556 Y CB -2.449 36.005 38.460 -0.011 0.000 0.974 556 Y HN 0.588 nan 8.280 nan 0.000 0.511 557 P HA -0.119 nan 4.420 nan 0.000 0.218 557 P C 1.194 178.442 177.300 -0.087 0.000 1.149 557 P CA 2.063 65.166 63.100 0.004 0.000 0.817 557 P CB 0.051 31.757 31.700 0.009 0.000 0.785 558 D N -0.758 119.575 120.400 -0.111 0.000 2.091 558 D HA -0.103 4.568 4.640 0.052 0.000 0.199 558 D C 1.929 178.022 176.300 -0.345 0.000 0.980 558 D CA 0.887 54.780 54.000 -0.179 0.000 0.831 558 D CB -0.708 40.005 40.800 -0.144 0.000 0.987 558 D HN -0.032 nan 8.370 nan 0.000 0.460 559 L N 0.142 121.102 121.223 -0.439 0.000 2.043 559 L HA -0.180 4.191 4.340 0.052 0.000 0.212 559 L C 2.739 178.833 176.870 -1.293 0.000 1.075 559 L CA 1.147 55.438 54.840 -0.916 0.000 0.752 559 L CB -0.423 41.184 42.059 -0.754 0.000 0.891 559 L HN 0.107 nan 8.230 nan 0.000 0.432 560 R N -0.055 120.042 120.500 -0.672 0.000 2.103 560 R HA -0.243 4.128 4.340 0.052 0.000 0.242 560 R C 2.392 178.417 176.300 -0.459 0.000 1.142 560 R CA 2.033 57.855 56.100 -0.463 0.000 0.960 560 R CB -0.426 29.827 30.300 -0.078 0.000 0.858 560 R HN 0.382 nan 8.270 nan 0.000 0.439 561 R N 0.732 121.020 120.500 -0.352 0.000 2.073 561 R HA -0.056 4.315 4.340 0.052 0.000 0.229 561 R C 2.016 178.149 176.300 -0.277 0.000 1.120 561 R CA 1.230 57.189 56.100 -0.234 0.000 0.967 561 R CB -0.601 29.607 30.300 -0.152 0.000 0.862 561 R HN -0.048 nan 8.270 nan 0.000 0.436 562 V N 0.930 120.577 119.914 -0.444 0.000 2.324 562 V HA -0.242 3.909 4.120 0.052 0.000 0.250 562 V C 1.987 177.933 176.094 -0.247 0.000 1.060 562 V CA 1.881 63.948 62.300 -0.388 0.000 1.042 562 V CB -0.667 30.807 31.823 -0.582 0.000 0.650 562 V HN 0.276 nan 8.190 nan 0.000 0.450 563 F N 0.050 119.757 119.950 -0.406 0.000 2.325 563 F HA -0.057 4.501 4.527 0.050 0.000 0.299 563 F C 2.479 178.138 175.800 -0.237 0.000 1.090 563 F CA 0.534 58.238 58.000 -0.494 0.000 1.392 563 F CB -1.031 37.164 39.000 -1.342 0.000 1.053 563 F HN 0.231 nan 8.300 nan 0.000 0.521 564 Q N 0.116 119.881 119.800 -0.058 0.000 2.079 564 Q HA -0.141 4.230 4.340 0.052 0.000 0.200 564 Q C 1.925 178.091 176.000 0.276 0.000 0.974 564 Q CA 1.149 57.012 55.803 0.101 0.000 0.840 564 Q CB -0.195 28.528 28.738 -0.026 0.000 0.898 564 Q HN 0.377 nan 8.270 nan 0.000 0.430 565 E N 0.144 120.446 120.200 0.170 0.000 2.208 565 E HA -0.114 4.267 4.350 0.052 0.000 0.193 565 E C 1.647 178.370 176.600 0.205 0.000 0.988 565 E CA 0.441 56.939 56.400 0.164 0.000 0.828 565 E CB -0.135 29.622 29.700 0.093 0.000 0.763 565 E HN 0.244 nan 8.360 nan 0.000 0.478 566 F N 1.520 121.535 119.950 0.109 0.000 2.084 566 F HA -0.193 4.365 4.527 0.051 0.000 0.296 566 F C 2.209 178.115 175.800 0.176 0.000 1.111 566 F CA 1.024 59.108 58.000 0.140 0.000 1.224 566 F CB -0.280 38.820 39.000 0.167 0.000 0.991 566 F HN -0.217 nan 8.300 nan 0.000 0.471 567 V N -0.020 120.064 119.914 0.283 0.000 2.594 567 V HA -0.278 3.873 4.120 0.052 0.000 0.253 567 V C 2.262 178.413 176.094 0.095 0.000 1.069 567 V CA 2.055 64.490 62.300 0.225 0.000 1.082 567 V CB -0.808 31.262 31.823 0.412 0.000 0.680 567 V HN 0.237 nan 8.190 nan 0.000 0.469 568 K N 0.203 120.666 120.400 0.105 0.000 2.366 568 K HA 0.032 4.383 4.320 0.052 0.000 0.198 568 K C 1.830 178.406 176.600 -0.039 0.000 1.044 568 K CA 0.987 57.283 56.287 0.015 0.000 0.973 568 K CB 0.049 32.575 32.500 0.043 0.000 0.767 568 K HN 0.678 nan 8.250 nan 0.000 0.475 569 M N -2.814 116.747 119.600 -0.064 0.000 2.300 569 M HA 0.198 4.709 4.480 0.052 0.000 0.313 569 M C 0.959 177.169 176.300 -0.150 0.000 0.988 569 M CA 0.297 55.545 55.300 -0.086 0.000 1.012 569 M CB 1.060 33.636 32.600 -0.041 0.000 1.586 569 M HN -0.056 nan 8.290 nan 0.000 0.562 570 T N -3.974 110.430 114.554 -0.251 0.000 2.966 570 T HA 0.284 4.665 4.350 0.052 0.000 0.254 570 T C 0.837 175.351 174.700 -0.310 0.000 0.961 570 T CA 0.520 62.478 62.100 -0.237 0.000 0.915 570 T CB -0.187 68.392 68.868 -0.483 0.000 1.186 570 T HN 0.620 nan 8.240 nan 0.000 0.505 571 N N -0.373 118.151 118.700 -0.294 0.000 2.965 571 N HA -0.154 4.618 4.740 0.052 0.000 0.232 571 N C -1.215 174.082 175.510 -0.355 0.000 0.913 571 N CA 0.744 53.609 53.050 -0.309 0.000 0.981 571 N CB -0.842 37.367 38.487 -0.463 0.000 1.077 571 N HN 0.557 nan 8.380 nan 0.000 0.589 572 Y N 0.528 120.805 120.300 -0.038 0.000 2.631 572 Y HA 0.525 5.106 4.550 0.051 0.000 0.328 572 Y C 0.327 176.420 175.900 0.321 0.000 1.118 572 Y CA -0.830 57.283 58.100 0.022 0.000 1.206 572 Y CB 0.749 39.226 38.460 0.028 0.000 1.337 572 Y HN -0.102 nan 8.280 nan 0.000 0.515 573 D N -0.991 119.742 120.400 0.555 0.000 2.181 573 D HA 0.322 4.993 4.640 0.052 0.000 0.248 573 D C 0.811 177.333 176.300 0.370 0.000 1.020 573 D CA -0.486 53.794 54.000 0.467 0.000 0.891 573 D CB 1.845 42.779 40.800 0.224 0.000 1.187 573 D HN 0.340 nan 8.370 nan 0.000 0.443 574 V N 1.766 121.771 119.914 0.153 0.000 2.317 574 V HA -0.261 3.890 4.120 0.052 0.000 0.251 574 V C 1.910 177.936 176.094 -0.114 0.000 1.065 574 V CA 1.617 63.764 62.300 -0.256 0.000 1.049 574 V CB -0.897 30.527 31.823 -0.666 0.000 0.651 574 V HN 0.629 nan 8.190 nan 0.000 0.450 575 E N 0.176 120.318 120.200 -0.097 0.000 2.147 575 E HA -0.282 4.099 4.350 0.052 0.000 0.199 575 E C 2.107 178.719 176.600 0.020 0.000 1.005 575 E CA 2.262 58.624 56.400 -0.065 0.000 0.810 575 E CB -0.427 29.208 29.700 -0.109 0.000 0.736 575 E HN 0.838 nan 8.360 nan 0.000 0.460 576 H N -0.505 118.613 119.070 0.080 0.000 2.423 576 H HA -0.016 4.572 4.556 0.053 0.000 0.297 576 H C 2.172 177.487 175.328 -0.022 0.000 1.075 576 H CA 1.220 57.292 56.048 0.039 0.000 1.342 576 H CB 0.243 30.037 29.762 0.054 0.000 1.395 576 H HN 0.033 nan 8.280 nan 0.000 0.530 577 T N 0.472 115.091 114.554 0.110 0.000 2.857 577 T HA -0.068 4.314 4.350 0.052 0.000 0.266 577 T C 2.055 176.677 174.700 -0.130 0.000 1.048 577 T CA 0.903 62.990 62.100 -0.023 0.000 1.139 577 T CB -0.066 68.780 68.868 -0.037 0.000 0.874 577 T HN 0.223 nan 8.240 nan 0.000 0.455 578 I N 0.722 121.228 120.570 -0.106 0.000 2.202 578 I HA -0.145 4.057 4.170 0.052 0.000 0.242 578 I C 2.483 178.585 176.117 -0.026 0.000 1.091 578 I CA 1.310 62.552 61.300 -0.097 0.000 1.368 578 I CB -0.255 37.758 38.000 0.022 0.000 1.058 578 I HN 0.137 nan 8.210 nan 0.000 0.410 579 K N 0.986 121.399 120.400 0.022 0.000 2.057 579 K HA -0.162 4.189 4.320 0.052 0.000 0.207 579 K C 2.109 178.711 176.600 0.003 0.000 1.049 579 K CA 1.374 57.685 56.287 0.040 0.000 0.931 579 K CB -0.108 32.445 32.500 0.089 0.000 0.714 579 K HN 0.272 nan 8.250 nan 0.000 0.440 580 K N 0.288 120.674 120.400 -0.023 0.000 2.155 580 K HA -0.073 4.278 4.320 0.052 0.000 0.203 580 K C 1.800 178.356 176.600 -0.074 0.000 1.052 580 K CA 0.785 57.038 56.287 -0.056 0.000 0.948 580 K CB 0.197 32.642 32.500 -0.092 0.000 0.728 580 K HN 0.005 nan 8.250 nan 0.000 0.448 581 E N -0.176 119.963 120.200 -0.102 0.000 2.473 581 E HA 0.197 4.579 4.350 0.052 0.000 0.204 581 E C 0.007 176.544 176.600 -0.104 0.000 0.994 581 E CA 0.266 56.591 56.400 -0.125 0.000 0.945 581 E CB 0.587 30.168 29.700 -0.197 0.000 0.990 581 E HN 0.176 nan 8.360 nan 0.000 0.493 582 M N -1.057 118.504 119.600 -0.065 0.000 2.644 582 M HA 0.355 4.866 4.480 0.052 0.000 0.304 582 M C -0.360 175.947 176.300 0.012 0.000 1.215 582 M CA -0.537 54.756 55.300 -0.011 0.000 0.871 582 M CB 2.651 35.290 32.600 0.064 0.000 1.740 582 M HN -0.295 nan 8.290 nan 0.000 0.464 583 S N -0.609 115.102 115.700 0.017 0.000 2.638 583 S HA 0.862 5.363 4.470 0.052 0.000 0.274 583 S C -0.168 174.428 174.600 -0.008 0.000 1.157 583 S CA 0.244 58.450 58.200 0.009 0.000 0.826 583 S CB 1.562 64.763 63.200 0.002 0.000 1.139 583 S HN 1.208 nan 8.310 nan 0.000 0.474 584 G N 2.754 111.541 108.800 -0.022 0.000 2.581 584 G HA2 -0.297 3.694 3.960 0.052 0.000 0.291 584 G HA3 -0.297 3.694 3.960 0.052 0.000 0.291 584 G C 0.371 175.199 174.900 -0.119 0.000 1.277 584 G CA 0.898 45.958 45.100 -0.066 0.000 0.959 584 G HN 0.745 nan 8.290 nan 0.000 0.554 585 D N -0.230 120.023 120.400 -0.245 0.000 2.127 585 D HA -0.154 4.517 4.640 0.052 0.000 0.190 585 D C 2.782 178.915 176.300 -0.278 0.000 1.000 585 D CA 2.264 55.990 54.000 -0.456 0.000 0.839 585 D CB -0.802 39.359 40.800 -1.065 0.000 0.955 585 D HN 0.351 nan 8.370 nan 0.000 0.446 586 V N 1.275 121.090 119.914 -0.165 0.000 2.317 586 V HA -0.283 3.869 4.120 0.052 0.000 0.251 586 V C 2.565 178.627 176.094 -0.053 0.000 1.065 586 V CA 2.097 64.347 62.300 -0.082 0.000 1.049 586 V CB -0.631 31.221 31.823 0.050 0.000 0.651 586 V HN 0.214 nan 8.190 nan 0.000 0.450 587 R N -0.121 120.396 120.500 0.029 0.000 2.115 587 R HA -0.133 4.238 4.340 0.052 0.000 0.226 587 R C 1.860 178.212 176.300 0.087 0.000 1.100 587 R CA 1.606 57.774 56.100 0.115 0.000 0.980 587 R CB -0.242 30.100 30.300 0.071 0.000 0.875 587 R HN 0.545 nan 8.270 nan 0.000 0.445 588 D N 0.275 120.680 120.400 0.008 0.000 2.194 588 D HA -0.093 4.578 4.640 0.052 0.000 0.204 588 D C 1.974 178.297 176.300 0.037 0.000 0.964 588 D CA 1.192 55.210 54.000 0.030 0.000 0.846 588 D CB 0.149 40.945 40.800 -0.006 0.000 0.962 588 D HN 0.177 nan 8.370 nan 0.000 0.490 589 V N 0.377 120.262 119.914 -0.049 0.000 2.307 589 V HA -0.198 3.954 4.120 0.052 0.000 0.245 589 V C 2.248 178.306 176.094 -0.061 0.000 1.045 589 V CA 1.198 63.450 62.300 -0.081 0.000 1.024 589 V CB -0.945 30.755 31.823 -0.206 0.000 0.651 589 V HN -0.044 nan 8.190 nan 0.000 0.449 590 F N 0.661 120.670 119.950 0.097 0.000 2.146 590 F HA -0.045 4.512 4.527 0.051 0.000 0.298 590 F C 2.440 178.262 175.800 0.038 0.000 1.096 590 F CA 0.879 58.931 58.000 0.087 0.000 1.275 590 F CB -1.198 37.900 39.000 0.164 0.000 1.008 590 F HN -0.065 nan 8.300 nan 0.000 0.480 591 V N -0.131 119.915 119.914 0.219 0.000 2.427 591 V HA -0.253 3.898 4.120 0.052 0.000 0.248 591 V C 2.561 178.707 176.094 0.086 0.000 1.051 591 V CA 1.569 63.947 62.300 0.129 0.000 1.048 591 V CB -1.308 30.589 31.823 0.123 0.000 0.666 591 V HN 0.337 nan 8.190 nan 0.000 0.456 592 A N -0.027 122.840 122.820 0.078 0.000 1.898 592 A HA -0.158 4.193 4.320 0.052 0.000 0.216 592 A C 2.170 179.607 177.584 -0.244 0.000 1.181 592 A CA 1.798 53.803 52.037 -0.053 0.000 0.620 592 A CB -0.476 18.528 19.000 0.007 0.000 0.819 592 A HN 0.490 nan 8.150 nan 0.000 0.442 593 I N -0.631 119.889 120.570 -0.082 0.000 2.142 593 I HA -0.214 3.988 4.170 0.052 0.000 0.240 593 I C 2.384 178.430 176.117 -0.118 0.000 1.078 593 I CA 1.172 62.426 61.300 -0.076 0.000 1.343 593 I CB -0.325 37.712 38.000 0.061 0.000 1.046 593 I HN 0.150 nan 8.210 nan 0.000 0.405 594 V N 0.308 120.202 119.914 -0.034 0.000 2.332 594 V HA -0.322 3.829 4.120 0.052 0.000 0.248 594 V C 2.443 178.564 176.094 0.045 0.000 1.055 594 V CA 1.864 64.161 62.300 -0.005 0.000 1.038 594 V CB -0.672 31.099 31.823 -0.087 0.000 0.651 594 V HN 0.479 nan 8.190 nan 0.000 0.450 595 Q N -0.655 119.122 119.800 -0.038 0.000 2.119 595 Q HA -0.184 4.188 4.340 0.052 0.000 0.201 595 Q C 2.542 178.463 176.000 -0.131 0.000 0.972 595 Q CA 1.781 57.555 55.803 -0.047 0.000 0.847 595 Q CB -0.281 28.499 28.738 0.070 0.000 0.903 595 Q HN 0.655 nan 8.270 nan 0.000 0.433 596 S N -0.130 115.391 115.700 -0.297 0.000 2.402 596 S HA -0.092 4.410 4.470 0.052 0.000 0.229 596 S C 1.909 176.435 174.600 -0.124 0.000 1.021 596 S CA 0.916 58.952 58.200 -0.272 0.000 0.974 596 S CB 0.048 63.073 63.200 -0.291 0.000 0.800 596 S HN 0.179 nan 8.310 nan 0.000 0.484 597 V N 1.145 120.890 119.914 -0.281 0.000 2.649 597 V HA 0.035 4.186 4.120 0.052 0.000 0.248 597 V C 2.496 178.666 176.094 0.127 0.000 1.054 597 V CA 1.635 63.736 62.300 -0.332 0.000 1.073 597 V CB -0.504 31.065 31.823 -0.423 0.000 0.699 597 V HN 0.446 nan 8.190 nan 0.000 0.463 598 K N 0.286 120.794 120.400 0.179 0.000 1.991 598 K HA -0.076 4.276 4.320 0.052 0.000 0.207 598 K C 0.864 177.439 176.600 -0.042 0.000 1.045 598 K CA 1.381 57.674 56.287 0.011 0.000 0.937 598 K CB 0.173 32.425 32.500 -0.414 0.000 0.720 598 K HN 0.406 nan 8.250 nan 0.000 0.438 599 N N 0.128 118.809 118.700 -0.033 0.000 2.827 599 N HA 0.054 4.826 4.740 0.052 0.000 0.240 599 N C -0.510 175.042 175.510 0.070 0.000 1.352 599 N CA -0.046 53.011 53.050 0.010 0.000 0.760 599 N CB 1.194 39.656 38.487 -0.042 0.000 1.426 599 N HN -0.000 nan 8.380 nan 0.000 0.561 600 K N 2.601 123.065 120.400 0.107 0.000 2.001 600 K HA -0.010 4.341 4.320 0.052 0.000 0.214 600 K C -1.031 175.732 176.600 0.272 0.000 1.050 600 K CA 2.119 58.492 56.287 0.143 0.000 0.934 600 K CB -0.378 32.250 32.500 0.213 0.000 0.718 600 K HN 0.321 nan 8.250 nan 0.000 0.443 601 P HA -0.195 nan 4.420 nan 0.000 0.216 601 P C 1.216 178.698 177.300 0.303 0.000 1.153 601 P CA 1.048 64.351 63.100 0.338 0.000 0.858 601 P CB -0.012 31.817 31.700 0.215 0.000 0.789 602 L N -1.214 120.126 121.223 0.195 0.000 2.017 602 L HA -0.132 4.239 4.340 0.052 0.000 0.208 602 L C 2.269 179.239 176.870 0.166 0.000 1.073 602 L CA 1.703 56.629 54.840 0.144 0.000 0.745 602 L CB -1.550 40.534 42.059 0.042 0.000 0.894 602 L HN -0.130 nan 8.230 nan 0.000 0.432 603 F N -0.679 119.261 119.950 -0.017 0.000 2.154 603 F HA -0.296 4.260 4.527 0.048 0.000 0.301 603 F C 1.843 177.600 175.800 -0.073 0.000 1.087 603 F CA 1.708 59.644 58.000 -0.107 0.000 1.274 603 F CB -0.367 38.475 39.000 -0.264 0.000 1.009 603 F HN 0.119 nan 8.300 nan 0.000 0.485 604 F N 0.310 120.366 119.950 0.176 0.000 2.234 604 F HA 0.090 4.644 4.527 0.044 0.000 0.296 604 F C 2.555 178.419 175.800 0.106 0.000 1.089 604 F CA 0.927 58.979 58.000 0.087 0.000 1.343 604 F CB -1.404 37.712 39.000 0.194 0.000 1.040 604 F HN 0.050 nan 8.300 nan 0.000 0.498 605 A N -0.197 122.848 122.820 0.375 0.000 1.933 605 A HA -0.173 4.178 4.320 0.052 0.000 0.218 605 A C 1.944 179.759 177.584 0.384 0.000 1.175 605 A CA 2.005 54.329 52.037 0.478 0.000 0.628 605 A CB -0.750 18.527 19.000 0.462 0.000 0.814 605 A HN 0.238 nan 8.150 nan 0.000 0.444 606 D N -0.282 120.241 120.400 0.205 0.000 2.117 606 D HA -0.087 4.585 4.640 0.052 0.000 0.198 606 D C 1.957 178.306 176.300 0.082 0.000 0.982 606 D CA 1.188 55.275 54.000 0.146 0.000 0.828 606 D CB -0.186 40.634 40.800 0.032 0.000 0.967 606 D HN 0.424 nan 8.370 nan 0.000 0.464 607 K N 0.067 120.436 120.400 -0.051 0.000 2.148 607 K HA -0.002 4.349 4.320 0.052 0.000 0.204 607 K C 2.240 178.896 176.600 0.092 0.000 1.050 607 K CA 0.327 56.581 56.287 -0.054 0.000 0.942 607 K CB -0.059 32.327 32.500 -0.190 0.000 0.724 607 K HN 0.168 nan 8.250 nan 0.000 0.446 608 L N -0.169 121.170 121.223 0.194 0.000 2.093 608 L HA -0.200 4.171 4.340 0.052 0.000 0.208 608 L C 2.401 179.433 176.870 0.270 0.000 1.085 608 L CA 1.094 56.066 54.840 0.220 0.000 0.755 608 L CB -0.344 41.863 42.059 0.246 0.000 0.904 608 L HN 0.188 nan 8.230 nan 0.000 0.435 609 Y N 0.931 121.346 120.300 0.193 0.000 2.145 609 Y HA -0.299 4.282 4.550 0.052 0.000 0.286 609 Y C 2.551 178.413 175.900 -0.064 0.000 1.145 609 Y CA 1.738 59.807 58.100 -0.050 0.000 1.148 609 Y CB 0.011 38.013 38.460 -0.764 0.000 0.981 609 Y HN -0.054 nan 8.280 nan 0.000 0.507 610 K N 0.153 120.592 120.400 0.065 0.000 2.032 610 K HA -0.187 4.165 4.320 0.052 0.000 0.209 610 K C 2.424 178.995 176.600 -0.049 0.000 1.048 610 K CA 1.785 58.077 56.287 0.008 0.000 0.927 610 K CB -0.451 32.086 32.500 0.061 0.000 0.712 610 K HN 0.475 nan 8.250 nan 0.000 0.441 611 S N 0.244 115.938 115.700 -0.010 0.000 2.402 611 S HA -0.187 4.314 4.470 0.052 0.000 0.233 611 S C 1.751 176.326 174.600 -0.040 0.000 1.030 611 S CA 1.398 59.596 58.200 -0.004 0.000 1.003 611 S CB -0.264 62.956 63.200 0.034 0.000 0.813 611 S HN 0.246 nan 8.310 nan 0.000 0.477 612 M N 0.736 120.277 119.600 -0.098 0.000 2.371 612 M HA 0.285 4.796 4.480 0.052 0.000 0.246 612 M C 0.576 176.738 176.300 -0.230 0.000 1.103 612 M CA -0.046 55.176 55.300 -0.130 0.000 1.010 612 M CB 0.334 32.867 32.600 -0.113 0.000 1.457 612 M HN 0.218 nan 8.290 nan 0.000 0.486 613 K N 1.640 121.868 120.400 -0.286 0.000 2.205 613 K HA 0.485 4.836 4.320 0.052 0.000 0.279 613 K C 0.177 176.691 176.600 -0.143 0.000 1.027 613 K CA 0.549 56.650 56.287 -0.311 0.000 0.932 613 K CB 0.785 33.094 32.500 -0.318 0.000 1.032 613 K HN 0.261 nan 8.250 nan 0.000 0.466 614 G N 1.965 110.698 108.800 -0.112 0.000 2.631 614 G HA2 -0.165 3.826 3.960 0.052 0.000 0.504 614 G HA3 -0.165 3.826 3.960 0.052 0.000 0.504 614 G C 0.395 175.263 174.900 -0.053 0.000 1.306 614 G CA -0.190 44.873 45.100 -0.062 0.000 0.897 614 G HN 0.730 nan 8.290 nan 0.000 0.520 615 A N -0.466 122.333 122.820 -0.036 0.000 1.929 615 A HA 0.523 4.874 4.320 0.052 0.000 0.216 615 A C 2.030 179.596 177.584 -0.029 0.000 1.176 615 A CA 2.599 54.618 52.037 -0.030 0.000 0.628 615 A CB -0.803 18.184 19.000 -0.022 0.000 0.816 615 A HN 2.361 nan 8.150 nan 0.000 0.444 616 G N -1.950 106.833 108.800 -0.028 0.000 2.525 616 G HA2 0.499 4.490 3.960 0.052 0.000 0.287 616 G HA3 0.499 4.490 3.960 0.052 0.000 0.287 616 G C -0.605 174.280 174.900 -0.026 0.000 1.350 616 G CA 0.259 45.344 45.100 -0.024 0.000 1.039 616 G HN 0.219 nan 8.290 nan 0.000 0.513 617 T N -0.559 113.985 114.554 -0.017 0.000 2.956 617 T HA 0.314 4.695 4.350 0.052 0.000 0.312 617 T C -0.927 173.775 174.700 0.003 0.000 1.151 617 T CA -0.536 61.561 62.100 -0.005 0.000 1.024 617 T CB 2.086 70.964 68.868 0.016 0.000 1.140 617 T HN 0.544 nan 8.240 nan 0.000 0.473 618 E N 2.714 122.923 120.200 0.016 0.000 2.206 618 E HA 0.111 4.492 4.350 0.052 0.000 0.244 618 E C 1.196 177.831 176.600 0.059 0.000 1.055 618 E CA -0.473 55.942 56.400 0.025 0.000 0.970 618 E CB 0.318 30.034 29.700 0.026 0.000 1.256 618 E HN 0.564 nan 8.360 nan 0.000 0.456 619 E N 3.162 123.394 120.200 0.053 0.000 2.267 619 E HA -0.261 4.120 4.350 0.052 0.000 0.197 619 E C 1.241 177.924 176.600 0.139 0.000 0.998 619 E CA 0.757 57.234 56.400 0.129 0.000 0.830 619 E CB -0.020 29.587 29.700 -0.154 0.000 0.751 619 E HN 0.406 nan 8.360 nan 0.000 0.491 620 K N 0.828 121.268 120.400 0.067 0.000 1.973 620 K HA -0.091 4.260 4.320 0.052 0.000 0.212 620 K C 2.249 178.915 176.600 0.109 0.000 1.047 620 K CA 1.862 58.196 56.287 0.078 0.000 0.937 620 K CB -0.247 32.279 32.500 0.044 0.000 0.721 620 K HN 0.066 nan 8.250 nan 0.000 0.440 621 T N 2.367 116.976 114.554 0.091 0.000 2.720 621 T HA -0.171 4.210 4.350 0.052 0.000 0.268 621 T C 1.759 176.527 174.700 0.113 0.000 1.037 621 T CA 1.392 63.553 62.100 0.101 0.000 1.144 621 T CB -0.241 68.677 68.868 0.083 0.000 0.864 621 T HN 0.204 nan 8.240 nan 0.000 0.444 622 L N 0.899 122.188 121.223 0.110 0.000 2.079 622 L HA -0.093 4.278 4.340 0.052 0.000 0.210 622 L C 2.364 179.291 176.870 0.094 0.000 1.081 622 L CA 1.880 56.776 54.840 0.094 0.000 0.752 622 L CB -1.059 41.064 42.059 0.107 0.000 0.896 622 L HN 0.150 nan 8.230 nan 0.000 0.433 623 T N -0.638 114.016 114.554 0.165 0.000 2.812 623 T HA -0.122 4.259 4.350 0.052 0.000 0.264 623 T C 1.973 176.769 174.700 0.162 0.000 1.042 623 T CA 1.298 63.497 62.100 0.165 0.000 1.140 623 T CB -0.196 68.830 68.868 0.263 0.000 0.870 623 T HN 0.345 nan 8.240 nan 0.000 0.445 624 R N 0.622 121.248 120.500 0.210 0.000 2.083 624 R HA -0.045 4.326 4.340 0.052 0.000 0.237 624 R C 2.357 178.775 176.300 0.197 0.000 1.137 624 R CA 1.484 57.751 56.100 0.279 0.000 0.951 624 R CB -0.419 29.985 30.300 0.173 0.000 0.851 624 R HN 0.383 nan 8.270 nan 0.000 0.434 625 I N 0.344 120.981 120.570 0.112 0.000 2.252 625 I HA -0.290 3.912 4.170 0.052 0.000 0.245 625 I C 2.407 178.484 176.117 -0.067 0.000 1.102 625 I CA 0.903 62.208 61.300 0.008 0.000 1.385 625 I CB -0.247 37.798 38.000 0.076 0.000 1.064 625 I HN 0.251 nan 8.210 nan 0.000 0.414 626 M N 0.160 119.737 119.600 -0.038 0.000 2.108 626 M HA -0.149 4.362 4.480 0.052 0.000 0.261 626 M C 2.406 178.645 176.300 -0.101 0.000 1.066 626 M CA 1.640 56.888 55.300 -0.087 0.000 1.107 626 M CB -0.974 31.564 32.600 -0.104 0.000 1.356 626 M HN 0.112 nan 8.290 nan 0.000 0.406 627 V N 0.386 120.255 119.914 -0.076 0.000 2.231 627 V HA -0.225 3.926 4.120 0.052 0.000 0.240 627 V C 2.513 178.548 176.094 -0.099 0.000 1.039 627 V CA 1.998 64.212 62.300 -0.142 0.000 0.998 627 V CB -1.135 30.512 31.823 -0.295 0.000 0.639 627 V HN 0.585 nan 8.190 nan 0.000 0.451 628 S N 1.178 116.896 115.700 0.029 0.000 2.400 628 S HA -0.272 4.229 4.470 0.052 0.000 0.234 628 S C 1.754 176.314 174.600 -0.067 0.000 1.049 628 S CA 1.578 59.815 58.200 0.062 0.000 1.039 628 S CB -0.441 62.841 63.200 0.136 0.000 0.856 628 S HN 0.556 nan 8.310 nan 0.000 0.465 629 R N 1.301 121.706 120.500 -0.158 0.000 2.362 629 R HA 0.294 4.665 4.340 0.052 0.000 0.227 629 R C 2.279 178.504 176.300 -0.124 0.000 0.905 629 R CA 0.770 56.754 56.100 -0.194 0.000 1.067 629 R CB -1.028 29.048 30.300 -0.373 0.000 1.078 629 R HN 0.735 nan 8.270 nan 0.000 0.516 630 S N 0.916 116.548 115.700 -0.113 0.000 2.420 630 S HA -0.149 4.352 4.470 0.052 0.000 0.237 630 S C 1.284 175.836 174.600 -0.081 0.000 1.023 630 S CA 1.240 59.379 58.200 -0.102 0.000 0.991 630 S CB -0.019 63.109 63.200 -0.119 0.000 0.792 630 S HN 0.402 nan 8.310 nan 0.000 0.488 631 E N -0.648 119.509 120.200 -0.071 0.000 2.583 631 E HA 0.421 4.803 4.350 0.052 0.000 0.213 631 E C 0.998 177.576 176.600 -0.036 0.000 0.989 631 E CA -0.099 56.269 56.400 -0.053 0.000 0.991 631 E CB 0.408 30.075 29.700 -0.055 0.000 1.040 631 E HN 0.542 nan 8.360 nan 0.000 0.481 632 I N 0.956 121.505 120.570 -0.035 0.000 3.196 632 I HA -0.011 4.190 4.170 0.052 0.000 0.248 632 I C 0.423 176.542 176.117 0.003 0.000 1.105 632 I CA 0.565 61.857 61.300 -0.013 0.000 1.482 632 I CB 0.590 38.586 38.000 -0.008 0.000 1.400 632 I HN 0.008 nan 8.210 nan 0.000 0.464 633 D N -0.253 120.146 120.400 -0.001 0.000 2.822 633 D HA 0.035 4.706 4.640 0.052 0.000 0.327 633 D C 1.049 177.363 176.300 0.023 0.000 1.577 633 D CA -0.264 53.754 54.000 0.030 0.000 0.785 633 D CB -0.440 40.408 40.800 0.081 0.000 1.199 633 D HN -0.008 nan 8.370 nan 0.000 0.443 634 L N 0.266 121.479 121.223 -0.017 0.000 2.083 634 L HA 0.040 4.411 4.340 0.052 0.000 0.209 634 L C 1.735 178.611 176.870 0.009 0.000 1.083 634 L CA 1.412 56.238 54.840 -0.024 0.000 0.752 634 L CB -0.639 41.386 42.059 -0.058 0.000 0.899 634 L HN 0.324 nan 8.230 nan 0.000 0.433 635 L N -0.285 120.944 121.223 0.011 0.000 2.046 635 L HA -0.196 4.175 4.340 0.052 0.000 0.208 635 L C 2.092 178.992 176.870 0.050 0.000 1.077 635 L CA 1.786 56.640 54.840 0.023 0.000 0.747 635 L CB -0.975 41.093 42.059 0.015 0.000 0.896 635 L HN 0.351 nan 8.230 nan 0.000 0.432 636 N N -0.291 118.445 118.700 0.060 0.000 2.069 636 N HA -0.174 4.597 4.740 0.052 0.000 0.191 636 N C 1.859 177.440 175.510 0.118 0.000 1.031 636 N CA 2.038 55.138 53.050 0.084 0.000 0.852 636 N CB -0.336 38.206 38.487 0.092 0.000 1.018 636 N HN 0.381 nan 8.380 nan 0.000 0.423 637 I N 0.502 121.153 120.570 0.135 0.000 2.286 637 I HA -0.238 3.963 4.170 0.052 0.000 0.248 637 I C 2.193 178.431 176.117 0.202 0.000 1.115 637 I CA 0.979 62.395 61.300 0.193 0.000 1.392 637 I CB -0.161 37.950 38.000 0.185 0.000 1.065 637 I HN 0.123 nan 8.210 nan 0.000 0.418 638 R N 0.553 121.128 120.500 0.125 0.000 2.105 638 R HA -0.134 4.237 4.340 0.052 0.000 0.239 638 R C 2.465 178.872 176.300 0.179 0.000 1.135 638 R CA 1.205 57.373 56.100 0.113 0.000 0.967 638 R CB -0.156 30.173 30.300 0.049 0.000 0.861 638 R HN 0.427 nan 8.270 nan 0.000 0.442 639 R N 0.375 120.962 120.500 0.145 0.000 2.062 639 R HA -0.026 4.346 4.340 0.052 0.000 0.226 639 R C 1.780 178.169 176.300 0.149 0.000 1.125 639 R CA 0.773 56.950 56.100 0.129 0.000 0.966 639 R CB -0.373 29.976 30.300 0.083 0.000 0.861 639 R HN 0.253 nan 8.270 nan 0.000 0.433 640 E N 0.637 120.931 120.200 0.156 0.000 2.209 640 E HA -0.168 4.214 4.350 0.052 0.000 0.196 640 E C 1.695 178.404 176.600 0.182 0.000 0.993 640 E CA 0.860 57.336 56.400 0.127 0.000 0.819 640 E CB -0.204 29.576 29.700 0.134 0.000 0.745 640 E HN 0.234 nan 8.360 nan 0.000 0.477 641 F N 0.995 121.041 119.950 0.161 0.000 2.128 641 F HA -0.067 4.473 4.527 0.021 0.000 0.295 641 F C 2.304 178.269 175.800 0.276 0.000 1.100 641 F CA 0.852 59.024 58.000 0.287 0.000 1.260 641 F CB -0.150 38.987 39.000 0.228 0.000 1.009 641 F HN -0.095 nan 8.300 nan 0.000 0.476 642 I N 0.085 120.918 120.570 0.438 0.000 2.315 642 I HA -0.236 3.965 4.170 0.052 0.000 0.248 642 I C 2.046 178.241 176.117 0.129 0.000 1.117 642 I CA 1.572 63.048 61.300 0.293 0.000 1.404 642 I CB -0.326 37.806 38.000 0.220 0.000 1.071 642 I HN 0.188 nan 8.210 nan 0.000 0.419 643 E N 0.404 120.646 120.200 0.070 0.000 2.106 643 E HA -0.283 4.098 4.350 0.052 0.000 0.192 643 E C 2.010 178.547 176.600 -0.104 0.000 0.984 643 E CA 1.325 57.719 56.400 -0.010 0.000 0.806 643 E CB -0.068 29.620 29.700 -0.019 0.000 0.750 643 E HN 0.423 nan 8.360 nan 0.000 0.458 644 K N -0.297 119.969 120.400 -0.224 0.000 2.314 644 K HA -0.043 4.308 4.320 0.052 0.000 0.198 644 K C 0.579 176.757 176.600 -0.702 0.000 1.045 644 K CA 0.722 56.695 56.287 -0.523 0.000 0.988 644 K CB 0.327 32.354 32.500 -0.788 0.000 0.783 644 K HN 0.108 nan 8.250 nan 0.000 0.484 645 Y N 0.691 120.879 120.300 -0.186 0.000 2.557 645 Y HA 0.227 4.802 4.550 0.042 0.000 0.247 645 Y C -0.570 175.309 175.900 -0.035 0.000 1.164 645 Y CA -0.804 57.176 58.100 -0.200 0.000 1.218 645 Y CB 0.688 38.860 38.460 -0.479 0.000 1.210 645 Y HN 0.036 nan 8.280 nan 0.000 0.529 646 D N 1.858 122.316 120.400 0.096 0.000 2.701 646 D HA -0.215 4.456 4.640 0.052 0.000 0.235 646 D C -0.417 175.979 176.300 0.159 0.000 1.155 646 D CA 1.345 55.408 54.000 0.106 0.000 0.649 646 D CB -1.034 39.807 40.800 0.069 0.000 1.050 646 D HN 0.685 nan 8.370 nan 0.000 0.425 647 K N -2.564 117.979 120.400 0.238 0.000 2.580 647 K HA 0.416 4.767 4.320 0.052 0.000 0.258 647 K C -0.274 176.549 176.600 0.373 0.000 0.936 647 K CA -0.876 55.572 56.287 0.268 0.000 0.852 647 K CB 1.036 33.703 32.500 0.278 0.000 1.329 647 K HN -0.071 nan 8.250 nan 0.000 0.430 648 S N 2.592 118.440 115.700 0.248 0.000 2.568 648 S HA 0.031 4.532 4.470 0.052 0.000 0.282 648 S C 1.013 175.684 174.600 0.118 0.000 1.338 648 S CA -0.658 57.662 58.200 0.200 0.000 1.045 648 S CB 0.739 64.015 63.200 0.127 0.000 0.873 648 S HN 0.705 nan 8.310 nan 0.000 0.516 649 L N 2.049 123.210 121.223 -0.104 0.000 2.131 649 L HA -0.103 4.268 4.340 0.052 0.000 0.210 649 L C 2.472 179.234 176.870 -0.181 0.000 1.092 649 L CA 1.906 56.471 54.840 -0.459 0.000 0.759 649 L CB -1.153 40.587 42.059 -0.533 0.000 0.903 649 L HN 0.991 nan 8.230 nan 0.000 0.435 650 H N -0.472 118.521 119.070 -0.127 0.000 2.251 650 H HA -0.218 4.368 4.556 0.050 0.000 0.294 650 H C 2.080 177.374 175.328 -0.057 0.000 1.078 650 H CA 2.519 58.517 56.048 -0.083 0.000 1.246 650 H CB 0.177 29.913 29.762 -0.043 0.000 1.358 650 H HN 0.471 nan 8.280 nan 0.000 0.488 651 Q N -0.088 119.791 119.800 0.132 0.000 2.170 651 Q HA -0.067 4.305 4.340 0.052 0.000 0.203 651 Q C 2.477 178.499 176.000 0.038 0.000 0.976 651 Q CA 1.165 57.020 55.803 0.086 0.000 0.858 651 Q CB -0.049 28.756 28.738 0.112 0.000 0.907 651 Q HN 0.456 nan 8.270 nan 0.000 0.433 652 A N 0.859 123.700 122.820 0.035 0.000 1.883 652 A HA -0.193 4.158 4.320 0.052 0.000 0.217 652 A C 2.050 179.602 177.584 -0.055 0.000 1.186 652 A CA 1.406 53.459 52.037 0.028 0.000 0.624 652 A CB -0.620 18.398 19.000 0.029 0.000 0.822 652 A HN 0.335 nan 8.150 nan 0.000 0.444 653 I N -1.174 119.320 120.570 -0.127 0.000 2.286 653 I HA -0.184 4.018 4.170 0.052 0.000 0.245 653 I C 2.458 178.500 176.117 -0.125 0.000 1.104 653 I CA 1.441 62.650 61.300 -0.151 0.000 1.397 653 I CB -0.453 37.405 38.000 -0.237 0.000 1.072 653 I HN 0.415 nan 8.210 nan 0.000 0.417 654 E N 1.046 121.165 120.200 -0.135 0.000 2.171 654 E HA -0.221 4.160 4.350 0.052 0.000 0.197 654 E C 2.169 178.742 176.600 -0.044 0.000 0.997 654 E CA 1.418 57.760 56.400 -0.096 0.000 0.810 654 E CB -0.132 29.534 29.700 -0.057 0.000 0.738 654 E HN 0.560 nan 8.360 nan 0.000 0.467 655 G N -0.595 108.187 108.800 -0.029 0.000 2.539 655 G HA2 -0.142 3.849 3.960 0.052 0.000 0.215 655 G HA3 -0.142 3.849 3.960 0.052 0.000 0.215 655 G C 0.968 175.858 174.900 -0.016 0.000 1.141 655 G CA 0.561 45.653 45.100 -0.014 0.000 0.806 655 G HN 0.144 nan 8.290 nan 0.000 0.533 656 D N -0.052 120.335 120.400 -0.022 0.000 2.320 656 D HA 0.094 4.765 4.640 0.052 0.000 0.228 656 D C 2.014 178.327 176.300 0.022 0.000 0.978 656 D CA 1.191 55.185 54.000 -0.009 0.000 0.905 656 D CB -0.060 40.730 40.800 -0.016 0.000 1.051 656 D HN 0.334 nan 8.370 nan 0.000 0.471 657 T N -2.295 112.277 114.554 0.031 0.000 2.816 657 T HA 0.616 4.997 4.350 0.052 0.000 0.282 657 T C 0.230 174.960 174.700 0.051 0.000 0.993 657 T CA -0.597 61.566 62.100 0.104 0.000 0.994 657 T CB 1.734 70.669 68.868 0.112 0.000 1.025 657 T HN -0.049 nan 8.240 nan 0.000 0.529 658 S N -1.483 114.270 115.700 0.089 0.000 2.636 658 S HA 0.690 5.191 4.470 0.052 0.000 0.268 658 S C 0.287 174.914 174.600 0.045 0.000 1.159 658 S CA 0.316 58.537 58.200 0.034 0.000 0.815 658 S CB 0.851 64.059 63.200 0.012 0.000 1.130 658 S HN 2.040 nan 8.310 nan 0.000 0.471 659 G N 1.514 110.305 108.800 -0.016 0.000 2.531 659 G HA2 -0.272 3.719 3.960 0.052 0.000 0.274 659 G HA3 -0.272 3.719 3.960 0.052 0.000 0.274 659 G C 0.378 175.252 174.900 -0.045 0.000 1.159 659 G CA 0.968 46.020 45.100 -0.080 0.000 0.969 659 G HN 0.914 nan 8.290 nan 0.000 0.554 660 H N -0.801 118.308 119.070 0.064 0.000 2.482 660 H HA 0.224 4.811 4.556 0.051 0.000 0.286 660 H C 2.204 177.586 175.328 0.090 0.000 1.017 660 H CA 1.067 57.150 56.048 0.058 0.000 1.322 660 H CB 0.050 29.845 29.762 0.055 0.000 1.426 660 H HN 0.301 nan 8.280 nan 0.000 0.546 661 F N 1.047 121.044 119.950 0.078 0.000 2.234 661 F HA -0.137 4.423 4.527 0.056 0.000 0.299 661 F C 1.996 177.789 175.800 -0.012 0.000 1.087 661 F CA 0.722 58.734 58.000 0.021 0.000 1.340 661 F CB -0.211 38.791 39.000 0.003 0.000 1.031 661 F HN 0.114 nan 8.300 nan 0.000 0.500 662 L N 0.383 121.584 121.223 -0.036 0.000 2.095 662 L HA -0.063 4.308 4.340 0.052 0.000 0.204 662 L C 2.402 179.180 176.870 -0.155 0.000 1.080 662 L CA 1.720 56.466 54.840 -0.157 0.000 0.759 662 L CB -0.961 41.058 42.059 -0.067 0.000 0.914 662 L HN -0.007 nan 8.230 nan 0.000 0.439 663 K N -0.274 120.095 120.400 -0.051 0.000 2.026 663 K HA -0.160 4.191 4.320 0.052 0.000 0.208 663 K C 2.017 178.579 176.600 -0.064 0.000 1.048 663 K CA 1.466 57.741 56.287 -0.020 0.000 0.929 663 K CB -0.282 32.268 32.500 0.083 0.000 0.713 663 K HN 0.506 nan 8.250 nan 0.000 0.439 664 A N 1.165 123.938 122.820 -0.078 0.000 1.877 664 A HA -0.159 4.192 4.320 0.052 0.000 0.216 664 A C 2.032 179.487 177.584 -0.215 0.000 1.186 664 A CA 1.087 53.050 52.037 -0.124 0.000 0.620 664 A CB -0.529 18.417 19.000 -0.090 0.000 0.822 664 A HN 0.235 nan 8.150 nan 0.000 0.443 665 L N -0.154 120.875 121.223 -0.324 0.000 2.012 665 L HA -0.111 4.260 4.340 0.052 0.000 0.210 665 L C 2.409 179.111 176.870 -0.281 0.000 1.073 665 L CA 1.562 56.178 54.840 -0.372 0.000 0.748 665 L CB -0.852 40.875 42.059 -0.553 0.000 0.891 665 L HN 0.399 nan 8.230 nan 0.000 0.431 666 L N -1.269 119.792 121.223 -0.269 0.000 2.353 666 L HA -0.180 4.191 4.340 0.052 0.000 0.220 666 L C 2.434 179.228 176.870 -0.127 0.000 1.133 666 L CA 0.800 55.487 54.840 -0.255 0.000 0.798 666 L CB -0.696 41.181 42.059 -0.303 0.000 0.922 666 L HN 0.297 nan 8.230 nan 0.000 0.445 667 A N 0.291 123.025 122.820 -0.144 0.000 1.930 667 A HA -0.087 4.264 4.320 0.052 0.000 0.215 667 A C 2.124 179.569 177.584 -0.232 0.000 1.176 667 A CA 1.020 52.952 52.037 -0.175 0.000 0.632 667 A CB -0.319 18.523 19.000 -0.264 0.000 0.819 667 A HN 0.302 nan 8.150 nan 0.000 0.445 668 I N -1.069 119.370 120.570 -0.218 0.000 2.286 668 I HA -0.238 3.963 4.170 0.052 0.000 0.245 668 I C 2.554 178.592 176.117 -0.133 0.000 1.104 668 I CA 0.854 62.040 61.300 -0.191 0.000 1.397 668 I CB -0.453 37.434 38.000 -0.187 0.000 1.072 668 I HN 0.465 nan 8.210 nan 0.000 0.417 669 C N 1.201 120.428 119.300 -0.121 0.000 2.391 669 C HA -0.115 4.376 4.460 0.052 0.000 0.276 669 C C 2.016 176.997 174.990 -0.016 0.000 1.217 669 C CA 1.336 60.312 59.018 -0.070 0.000 1.766 669 C CB -1.815 25.889 27.740 -0.059 0.000 2.046 669 C HN 0.803 nan 8.230 nan 0.000 0.475 670 G N -0.254 108.546 108.800 -0.000 0.000 2.298 670 G HA2 0.321 4.313 3.960 0.052 0.000 0.287 670 G HA3 0.321 4.313 3.960 0.052 0.000 0.287 670 G C 0.681 175.605 174.900 0.039 0.000 1.075 670 G CA 0.721 45.832 45.100 0.019 0.000 0.960 670 G HN 2.124 nan 8.290 nan 0.000 0.502 671 G N 0.000 108.851 108.800 0.085 0.000 5.446 671 G HA2 0.000 3.991 3.960 0.052 0.000 0.244 671 G HA3 0.000 3.991 3.960 0.052 0.000 0.244 671 G CA 0.000 45.083 45.100 -0.028 0.000 0.502 671 G HN 0.000 nan 8.290 nan 0.000 0.925