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 1ogg_1_B DATA FIRST_RESID 3 DATA SEQUENCE TRKAVIGYYF IPTNQINNYT ETDTSVVPFP VSNITPAKAK QLTHINFSFL DATA SEQUENCE DINSNLECAW DPATNDAKAR DVVNRLTALK AHNPSLRIMF SIGGWYYSND DATA SEQUENCE LGVSHANYVN AVKTPASRAK FAQSCVRIMK DYGFDGVDIN WEYPQAAEVD DATA SEQUENCE GFIAALQEIR TLLNQQTITD GRQALPYQLT IAGAGGAFFL SRYYSKLAQI DATA SEQUENCE VAPLDYINLM TYDLAGPWEK VTNHQAALFG DAAGPTFYNA LREANLGWSW DATA SEQUENCE EELTRAFPSP FSLTVDAAVQ QHLMMEGVPS AKIVMGVPFY GRAFKGVSGG DATA SEQUENCE NGGQYSSHST PGEDPYPSTD YWLVGCEECV RDKDPRIASY RQLEQMLQGN DATA SEQUENCE YGYQRLWNDK TKTPYLYHAQ NGLFVTYDDA ESFKYKAKYI KQQQLGGVMF DATA SEQUENCE WHLGQDNRNG DLLAALDRYF NAADYDDSQL DMGTGLRYTG VGPGNLPIMT DATA SEQUENCE APAYVPGTTY AQGALVSYQG YVWQTKWGYI TSAPGSDSAW LKVGRVA 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.711 174.700 0.019 0.000 1.109 3 T CA 0.000 62.116 62.100 0.027 0.000 1.349 3 T CB 0.000 68.886 68.868 0.031 0.000 0.612 4 R N 1.949 122.463 120.500 0.024 0.000 2.537 4 R HA 0.217 4.557 4.340 0.000 0.000 0.280 4 R C -0.221 176.055 176.300 -0.041 0.000 1.058 4 R CA -0.319 55.787 56.100 0.010 0.000 1.057 4 R CB 0.401 30.721 30.300 0.033 0.000 0.973 4 R HN 0.289 nan 8.270 nan 0.000 0.438 5 K N 2.588 122.896 120.400 -0.153 0.000 2.350 5 K HA 0.146 4.466 4.320 0.000 0.000 0.279 5 K C -0.268 176.196 176.600 -0.227 0.000 1.027 5 K CA -0.066 56.015 56.287 -0.343 0.000 0.969 5 K CB 1.414 33.317 32.500 -0.995 0.000 0.954 5 K HN 0.712 nan 8.250 nan 0.000 0.474 6 A N 2.219 124.922 122.820 -0.195 0.000 2.407 6 A HA 0.328 4.649 4.320 0.000 0.000 0.248 6 A C -0.263 177.257 177.584 -0.106 0.000 1.082 6 A CA -0.456 51.498 52.037 -0.139 0.000 0.785 6 A CB 0.423 19.178 19.000 -0.408 0.000 1.020 6 A HN 0.368 nan 8.150 nan 0.000 0.489 7 V N 4.351 124.281 119.914 0.027 0.000 2.385 7 V HA 0.245 4.366 4.120 0.000 0.000 0.277 7 V C -0.493 175.634 176.094 0.054 0.000 1.012 7 V CA 0.053 62.426 62.300 0.121 0.000 0.832 7 V CB 0.662 32.623 31.823 0.230 0.000 1.028 7 V HN 0.709 nan 8.190 nan 0.000 0.436 8 I N 4.134 124.645 120.570 -0.099 0.000 2.306 8 I HA 0.530 4.700 4.170 0.000 0.000 0.288 8 I C 0.909 176.671 176.117 -0.592 0.000 1.036 8 I CA -0.063 61.078 61.300 -0.266 0.000 1.221 8 I CB 1.411 39.199 38.000 -0.353 0.000 1.385 8 I HN 0.642 nan 8.210 nan 0.000 0.472 9 G N 5.903 114.275 108.800 -0.714 0.000 2.384 9 G HA2 0.436 4.396 3.960 0.000 0.000 0.316 9 G HA3 0.436 4.396 3.960 0.000 0.000 0.316 9 G C -0.895 173.625 174.900 -0.633 0.000 1.160 9 G CA -0.293 43.984 45.100 -1.371 0.000 0.936 9 G HN 0.325 nan 8.290 nan 0.000 0.455 10 Y N 1.079 121.065 120.300 -0.524 0.000 2.397 10 Y HA 0.267 4.817 4.550 0.000 0.000 0.335 10 Y C -0.109 175.639 175.900 -0.253 0.000 1.213 10 Y CA 0.308 58.256 58.100 -0.254 0.000 1.391 10 Y CB 0.995 39.394 38.460 -0.103 0.000 1.293 10 Y HN 0.531 nan 8.280 nan 0.000 0.557 11 Y N 5.021 125.188 120.300 -0.221 0.000 2.363 11 Y HA 0.349 4.899 4.550 0.000 0.000 0.325 11 Y C -1.756 173.902 175.900 -0.403 0.000 0.984 11 Y CA -1.919 56.064 58.100 -0.195 0.000 1.248 11 Y CB 0.278 38.723 38.460 -0.024 0.000 1.116 11 Y HN 0.494 nan 8.280 nan 0.000 0.470 12 F N 8.584 127.777 119.950 -1.261 0.000 2.391 12 F HA 0.557 5.085 4.527 0.000 0.000 0.359 12 F C -1.160 174.056 175.800 -0.973 0.000 1.122 12 F CA -1.373 55.866 58.000 -1.269 0.000 1.120 12 F CB 0.545 38.573 39.000 -1.620 0.000 1.142 12 F HN 0.495 nan 8.300 nan 0.000 0.483 13 I N 9.439 129.225 120.570 -1.306 0.000 2.476 13 I HA 0.420 4.591 4.170 0.000 0.000 0.281 13 I C -2.549 173.087 176.117 -0.802 0.000 1.040 13 I CA -2.551 58.205 61.300 -0.908 0.000 1.094 13 I CB 1.379 39.157 38.000 -0.369 0.000 1.219 13 I HN 0.394 nan 8.210 nan 0.000 0.450 14 P HA 0.106 nan 4.420 nan 0.000 0.269 14 P C 0.651 177.885 177.300 -0.110 0.000 1.211 14 P CA -0.040 62.790 63.100 -0.450 0.000 0.781 14 P CB 0.529 32.051 31.700 -0.296 0.000 0.877 15 T N 0.189 114.761 114.554 0.030 0.000 2.720 15 T HA -0.167 4.183 4.350 0.000 0.000 0.268 15 T C 1.542 176.288 174.700 0.076 0.000 1.037 15 T CA 1.828 63.998 62.100 0.117 0.000 1.144 15 T CB -0.880 68.088 68.868 0.167 0.000 0.864 15 T HN 0.628 nan 8.240 nan 0.000 0.444 16 N N 1.838 120.563 118.700 0.042 0.000 2.149 16 N HA -0.200 4.540 4.740 0.000 0.000 0.188 16 N C 1.756 177.293 175.510 0.044 0.000 1.019 16 N CA 1.410 54.483 53.050 0.037 0.000 0.857 16 N CB -0.548 37.951 38.487 0.020 0.000 0.997 16 N HN 0.488 nan 8.380 nan 0.000 0.426 17 Q N 0.187 120.005 119.800 0.031 0.000 2.123 17 Q HA 0.113 4.454 4.340 0.000 0.000 0.199 17 Q C 2.349 178.449 176.000 0.166 0.000 0.966 17 Q CA 0.864 56.710 55.803 0.071 0.000 0.845 17 Q CB 0.003 28.760 28.738 0.031 0.000 0.907 17 Q HN 0.439 nan 8.270 nan 0.000 0.439 18 I N 1.282 121.941 120.570 0.149 0.000 2.179 18 I HA -0.281 3.890 4.170 0.000 0.000 0.242 18 I C 1.551 177.748 176.117 0.133 0.000 1.088 18 I CA 0.836 62.237 61.300 0.168 0.000 1.357 18 I CB -0.268 37.823 38.000 0.153 0.000 1.051 18 I HN 0.187 nan 8.210 nan 0.000 0.409 19 N N 0.952 119.709 118.700 0.095 0.000 2.453 19 N HA -0.109 4.631 4.740 0.000 0.000 0.183 19 N C 0.650 176.205 175.510 0.075 0.000 1.041 19 N CA 0.950 54.041 53.050 0.068 0.000 0.900 19 N CB -0.290 38.228 38.487 0.053 0.000 0.961 19 N HN 0.431 nan 8.380 nan 0.000 0.443 20 N N -0.363 118.394 118.700 0.094 0.000 2.351 20 N HA -0.028 4.712 4.740 0.000 0.000 0.254 20 N C -0.731 174.833 175.510 0.090 0.000 1.241 20 N CA -0.298 52.795 53.050 0.072 0.000 0.883 20 N CB 0.369 38.880 38.487 0.039 0.000 1.202 20 N HN 0.172 nan 8.380 nan 0.000 0.512 21 Y N 2.344 122.660 120.300 0.027 0.000 2.805 21 Y HA -0.019 4.532 4.550 0.000 0.000 0.331 21 Y C 0.592 176.511 175.900 0.031 0.000 1.241 21 Y CA 0.943 59.067 58.100 0.041 0.000 1.546 21 Y CB 0.377 38.870 38.460 0.055 0.000 1.248 21 Y HN -0.094 nan 8.280 nan 0.000 0.559 22 T N 4.838 119.031 114.554 -0.601 0.000 2.889 22 T HA 0.323 4.673 4.350 0.000 0.000 0.315 22 T C -0.368 174.000 174.700 -0.553 0.000 1.291 22 T CA -0.705 61.141 62.100 -0.423 0.000 1.028 22 T CB 1.216 69.972 68.868 -0.188 0.000 1.235 22 T HN 0.740 nan 8.240 nan 0.000 0.491 23 E N 1.538 121.540 120.200 -0.329 0.000 2.548 23 E HA 0.151 4.501 4.350 0.000 0.000 0.206 23 E C 0.519 177.038 176.600 -0.135 0.000 1.005 23 E CA 0.021 56.284 56.400 -0.228 0.000 0.951 23 E CB 0.617 30.247 29.700 -0.116 0.000 1.035 23 E HN 0.726 nan 8.360 nan 0.000 0.470 24 T N -2.140 112.340 114.554 -0.122 0.000 3.231 24 T HA 0.139 4.489 4.350 0.000 0.000 0.292 24 T C -0.121 174.535 174.700 -0.073 0.000 1.001 24 T CA -0.492 61.559 62.100 -0.082 0.000 0.920 24 T CB 0.338 69.170 68.868 -0.060 0.000 1.140 24 T HN -0.148 nan 8.240 nan 0.000 0.525 25 D N 1.752 122.099 120.400 -0.087 0.000 2.337 25 D HA 0.161 4.802 4.640 0.000 0.000 0.238 25 D C 1.239 177.501 176.300 -0.064 0.000 1.331 25 D CA -0.080 53.880 54.000 -0.066 0.000 0.967 25 D CB 1.447 42.212 40.800 -0.060 0.000 1.382 25 D HN 0.178 nan 8.370 nan 0.000 0.549 26 T N -1.012 113.512 114.554 -0.051 0.000 3.025 26 T HA -0.148 4.202 4.350 0.000 0.000 0.270 26 T C 1.630 176.318 174.700 -0.020 0.000 1.126 26 T CA 1.357 63.437 62.100 -0.033 0.000 1.105 26 T CB -0.122 68.731 68.868 -0.025 0.000 0.884 26 T HN 0.206 nan 8.240 nan 0.000 0.522 27 S N 0.101 115.785 115.700 -0.025 0.000 2.489 27 S HA 0.100 4.571 4.470 0.000 0.000 0.228 27 S C 1.724 176.313 174.600 -0.019 0.000 0.995 27 S CA 0.288 58.476 58.200 -0.020 0.000 0.934 27 S CB -0.295 62.892 63.200 -0.021 0.000 0.771 27 S HN 0.410 nan 8.310 nan 0.000 0.522 28 V N 0.403 120.302 119.914 -0.026 0.000 2.690 28 V HA 0.296 4.417 4.120 0.000 0.000 0.240 28 V C 0.425 176.507 176.094 -0.021 0.000 1.078 28 V CA 0.428 62.714 62.300 -0.024 0.000 1.102 28 V CB 0.488 32.290 31.823 -0.035 0.000 0.800 28 V HN 0.403 nan 8.190 nan 0.000 0.479 29 V N 1.697 121.588 119.914 -0.039 0.000 2.327 29 V HA 0.299 4.419 4.120 0.000 0.000 0.272 29 V C -1.925 174.177 176.094 0.014 0.000 1.019 29 V CA -0.917 61.373 62.300 -0.016 0.000 0.814 29 V CB 1.222 32.977 31.823 -0.112 0.000 1.040 29 V HN 0.281 nan 8.190 nan 0.000 0.440 30 P HA -0.106 nan 4.420 nan 0.000 0.218 30 P C 0.229 177.633 177.300 0.174 0.000 1.148 30 P CA 1.430 64.588 63.100 0.095 0.000 0.822 30 P CB 0.170 31.935 31.700 0.109 0.000 0.784 31 F N 0.326 120.326 119.950 0.084 0.000 2.809 31 F HA 0.364 4.891 4.527 0.000 0.000 0.369 31 F C -2.494 173.460 175.800 0.256 0.000 1.225 31 F CA -2.727 55.365 58.000 0.154 0.000 1.201 31 F CB 1.035 40.149 39.000 0.189 0.000 1.527 31 F HN -0.190 nan 8.300 nan 0.000 0.565 32 P HA 0.048 nan 4.420 nan 0.000 0.272 32 P C 0.946 178.409 177.300 0.271 0.000 1.240 32 P CA -0.073 63.168 63.100 0.235 0.000 0.791 32 P CB 1.901 33.582 31.700 -0.032 0.000 0.978 33 V N 1.189 121.330 119.914 0.380 0.000 2.568 33 V HA -0.229 3.891 4.120 0.000 0.000 0.253 33 V C 2.588 178.737 176.094 0.092 0.000 1.072 33 V CA 2.570 64.966 62.300 0.160 0.000 1.084 33 V CB -1.756 30.131 31.823 0.108 0.000 0.676 33 V HN 0.704 nan 8.190 nan 0.000 0.469 34 S N 0.194 115.947 115.700 0.088 0.000 2.465 34 S HA -0.238 4.232 4.470 0.000 0.000 0.241 34 S C 1.584 176.161 174.600 -0.039 0.000 1.000 34 S CA 1.699 59.913 58.200 0.024 0.000 0.964 34 S CB -0.941 62.265 63.200 0.009 0.000 0.763 34 S HN 0.757 nan 8.310 nan 0.000 0.512 35 N N 0.832 119.462 118.700 -0.117 0.000 2.381 35 N HA 0.091 4.831 4.740 0.000 0.000 0.182 35 N C -0.205 175.283 175.510 -0.037 0.000 1.025 35 N CA 0.580 53.502 53.050 -0.214 0.000 0.888 35 N CB -0.174 37.878 38.487 -0.725 0.000 0.965 35 N HN 0.474 nan 8.380 nan 0.000 0.438 36 I N 1.860 122.457 120.570 0.046 0.000 2.291 36 I HA 0.048 4.219 4.170 0.000 0.000 0.292 36 I C 0.729 176.873 176.117 0.045 0.000 1.064 36 I CA -0.496 60.858 61.300 0.090 0.000 1.269 36 I CB 0.817 38.887 38.000 0.118 0.000 1.418 36 I HN 0.005 nan 8.210 nan 0.000 0.485 37 T N 2.898 117.465 114.554 0.021 0.000 2.824 37 T HA 0.309 4.659 4.350 0.000 0.000 0.277 37 T C -1.846 172.817 174.700 -0.063 0.000 0.975 37 T CA -1.780 60.299 62.100 -0.035 0.000 0.966 37 T CB 1.247 70.090 68.868 -0.041 0.000 1.054 37 T HN 0.224 nan 8.240 nan 0.000 0.533 38 P HA -0.006 nan 4.420 nan 0.000 0.218 38 P C 1.459 178.716 177.300 -0.072 0.000 1.148 38 P CA 1.322 64.232 63.100 -0.317 0.000 0.822 38 P CB -0.252 31.061 31.700 -0.645 0.000 0.784 39 A N -0.250 122.538 122.820 -0.054 0.000 1.930 39 A HA -0.136 4.185 4.320 0.000 0.000 0.215 39 A C 2.018 179.620 177.584 0.030 0.000 1.176 39 A CA 1.313 53.347 52.037 -0.004 0.000 0.632 39 A CB -0.734 18.261 19.000 -0.009 0.000 0.819 39 A HN 0.137 nan 8.150 nan 0.000 0.445 40 K N -0.130 120.294 120.400 0.040 0.000 2.228 40 K HA 0.105 4.425 4.320 0.000 0.000 0.202 40 K C 2.163 178.821 176.600 0.097 0.000 1.051 40 K CA 0.792 57.126 56.287 0.078 0.000 0.960 40 K CB -0.208 32.353 32.500 0.101 0.000 0.743 40 K HN 0.402 nan 8.250 nan 0.000 0.458 41 A N 2.156 125.030 122.820 0.090 0.000 1.972 41 A HA -0.168 4.152 4.320 0.000 0.000 0.219 41 A C 1.810 179.453 177.584 0.098 0.000 1.169 41 A CA 1.362 53.464 52.037 0.109 0.000 0.635 41 A CB -0.219 18.872 19.000 0.152 0.000 0.810 41 A HN 0.178 nan 8.150 nan 0.000 0.446 42 K N -0.457 119.994 120.400 0.086 0.000 2.283 42 K HA -0.099 4.221 4.320 0.000 0.000 0.202 42 K C 1.842 178.489 176.600 0.079 0.000 1.048 42 K CA 1.177 57.510 56.287 0.076 0.000 0.948 42 K CB -0.091 32.447 32.500 0.064 0.000 0.742 42 K HN 0.632 nan 8.250 nan 0.000 0.458 43 Q N 0.193 120.047 119.800 0.090 0.000 2.435 43 Q HA 0.068 4.408 4.340 0.000 0.000 0.207 43 Q C 0.064 176.147 176.000 0.138 0.000 0.956 43 Q CA 0.359 56.224 55.803 0.104 0.000 0.917 43 Q CB 0.190 28.986 28.738 0.096 0.000 0.997 43 Q HN 0.204 nan 8.270 nan 0.000 0.497 44 L N -0.256 121.046 121.223 0.132 0.000 2.331 44 L HA 0.240 4.580 4.340 0.000 0.000 0.275 44 L C 1.145 178.067 176.870 0.088 0.000 1.022 44 L CA -0.307 54.615 54.840 0.137 0.000 0.812 44 L CB 1.710 43.848 42.059 0.131 0.000 1.257 44 L HN 0.019 nan 8.230 nan 0.000 0.435 45 T N -3.402 111.211 114.554 0.097 0.000 3.023 45 T HA 0.213 4.563 4.350 0.000 0.000 0.249 45 T C 0.266 174.881 174.700 -0.141 0.000 1.050 45 T CA 0.257 62.373 62.100 0.025 0.000 1.088 45 T CB 0.023 68.970 68.868 0.133 0.000 0.946 45 T HN 0.525 nan 8.240 nan 0.000 0.480 46 H N -0.486 118.562 119.070 -0.036 0.000 2.894 46 H HA 0.676 5.232 4.556 0.000 0.000 0.367 46 H C -1.317 173.951 175.328 -0.098 0.000 1.144 46 H CA -0.975 55.038 56.048 -0.057 0.000 1.180 46 H CB 1.635 31.333 29.762 -0.107 0.000 1.758 46 H HN 0.142 nan 8.280 nan 0.000 0.541 47 I N 2.438 123.044 120.570 0.059 0.000 2.410 47 I HA 0.244 4.414 4.170 0.000 0.000 0.286 47 I C -0.650 175.476 176.117 0.014 0.000 1.009 47 I CA -0.790 60.514 61.300 0.007 0.000 1.111 47 I CB 1.240 39.278 38.000 0.063 0.000 1.262 47 I HN 0.487 nan 8.210 nan 0.000 0.443 48 N N 6.485 125.086 118.700 -0.165 0.000 2.527 48 N HA 0.228 4.969 4.740 0.000 0.000 0.236 48 N C -0.623 174.885 175.510 -0.002 0.000 0.999 48 N CA -0.354 52.576 53.050 -0.200 0.000 0.935 48 N CB 0.692 38.714 38.487 -0.776 0.000 1.132 48 N HN 0.399 nan 8.380 nan 0.000 0.511 49 F N 1.982 121.983 119.950 0.085 0.000 2.543 49 F HA 0.160 4.688 4.527 0.000 0.000 0.375 49 F C 0.054 175.890 175.800 0.060 0.000 1.075 49 F CA 0.251 58.359 58.000 0.180 0.000 1.225 49 F CB 0.388 39.592 39.000 0.340 0.000 1.099 49 F HN 0.213 nan 8.300 nan 0.000 0.561 50 S N 6.267 121.483 115.700 -0.807 0.000 2.521 50 S HA 0.701 5.171 4.470 0.000 0.000 0.295 50 S C -1.337 172.892 174.600 -0.619 0.000 1.098 50 S CA -0.467 57.303 58.200 -0.717 0.000 0.999 50 S CB 1.264 63.816 63.200 -1.081 0.000 1.034 50 S HN 0.466 nan 8.310 nan 0.000 0.483 51 F N 1.271 121.265 119.950 0.074 0.000 2.576 51 F HA 0.643 5.170 4.527 0.000 0.000 0.313 51 F C -0.334 175.628 175.800 0.270 0.000 1.078 51 F CA -0.865 57.270 58.000 0.226 0.000 0.921 51 F CB 1.145 40.322 39.000 0.294 0.000 1.232 51 F HN 0.334 nan 8.300 nan 0.000 0.459 52 L N 1.104 122.578 121.223 0.418 0.000 2.397 52 L HA 0.588 4.928 4.340 0.000 0.000 0.266 52 L C -0.509 176.503 176.870 0.237 0.000 1.040 52 L CA -0.141 54.767 54.840 0.113 0.000 0.800 52 L CB 1.118 43.101 42.059 -0.127 0.000 1.324 52 L HN 0.613 nan 8.230 nan 0.000 0.469 53 D N -1.256 119.146 120.400 0.004 0.000 2.744 53 D HA 0.510 5.150 4.640 0.000 0.000 0.304 53 D C -1.427 174.760 176.300 -0.187 0.000 1.179 53 D CA -0.348 53.572 54.000 -0.133 0.000 1.024 53 D CB 1.459 41.888 40.800 -0.618 0.000 1.453 53 D HN 0.242 nan 8.370 nan 0.000 0.529 54 I N 2.220 122.541 120.570 -0.414 0.000 2.378 54 I HA 0.306 4.476 4.170 0.000 0.000 0.291 54 I C 0.029 175.918 176.117 -0.380 0.000 0.992 54 I CA -0.902 60.111 61.300 -0.478 0.000 1.154 54 I CB 1.364 38.755 38.000 -1.015 0.000 1.315 54 I HN 0.328 nan 8.210 nan 0.000 0.448 55 N N 3.309 121.871 118.700 -0.229 0.000 2.448 55 N HA 0.123 4.863 4.740 0.000 0.000 0.274 55 N C 0.877 176.285 175.510 -0.170 0.000 1.239 55 N CA -0.531 52.416 53.050 -0.173 0.000 0.982 55 N CB 0.390 38.822 38.487 -0.091 0.000 1.199 55 N HN 0.543 nan 8.380 nan 0.000 0.576 56 S N -1.589 114.037 115.700 -0.123 0.000 2.442 56 S HA -0.186 4.284 4.470 0.000 0.000 0.236 56 S C 1.138 175.683 174.600 -0.093 0.000 1.007 56 S CA 0.884 59.018 58.200 -0.109 0.000 0.965 56 S CB -0.822 62.333 63.200 -0.076 0.000 0.773 56 S HN 0.738 nan 8.310 nan 0.000 0.504 57 N N 1.228 119.884 118.700 -0.073 0.000 2.521 57 N HA 0.112 4.852 4.740 0.000 0.000 0.188 57 N C -0.149 175.325 175.510 -0.059 0.000 1.146 57 N CA 0.361 53.380 53.050 -0.051 0.000 0.893 57 N CB -0.240 38.232 38.487 -0.025 0.000 0.975 57 N HN 0.423 nan 8.380 nan 0.000 0.451 58 L N 0.146 121.304 121.223 -0.109 0.000 3.717 58 L HA -0.225 4.115 4.340 0.000 0.000 0.411 58 L C -0.977 175.872 176.870 -0.034 0.000 1.233 58 L CA 0.756 55.508 54.840 -0.147 0.000 0.917 58 L CB -1.859 40.119 42.059 -0.134 0.000 1.902 58 L HN 0.290 nan 8.230 nan 0.000 0.894 59 E N -0.653 119.552 120.200 0.009 0.000 2.312 59 E HA 0.389 4.739 4.350 0.000 0.000 0.267 59 E C -0.332 176.347 176.600 0.131 0.000 0.894 59 E CA -0.807 55.676 56.400 0.139 0.000 0.773 59 E CB 2.662 32.404 29.700 0.070 0.000 1.241 59 E HN 0.273 nan 8.360 nan 0.000 0.432 60 C N 2.225 121.657 119.300 0.219 0.000 2.634 60 C HA 0.588 5.048 4.460 0.000 0.000 0.418 60 C C 0.069 175.078 174.990 0.032 0.000 1.373 60 C CA 0.220 59.330 59.018 0.153 0.000 1.756 60 C CB -1.705 26.105 27.740 0.116 0.000 2.589 60 C HN 0.652 nan 8.230 nan 0.000 0.602 61 A N 5.198 128.002 122.820 -0.027 0.000 2.601 61 A HA 0.689 5.010 4.320 0.000 0.000 0.291 61 A C -1.427 176.118 177.584 -0.064 0.000 1.075 61 A CA -0.693 51.335 52.037 -0.015 0.000 0.671 61 A CB 0.216 19.241 19.000 0.041 0.000 1.277 61 A HN 0.919 nan 8.150 nan 0.000 0.417 62 W N 0.831 122.114 121.300 -0.029 0.000 2.161 62 W HA 0.412 5.073 4.660 0.000 0.000 0.344 62 W C 0.592 177.124 176.519 0.022 0.000 1.262 62 W CA 0.911 58.261 57.345 0.008 0.000 1.270 62 W CB 0.485 29.928 29.460 -0.029 0.000 1.126 62 W HN 0.740 nan 8.180 nan 0.000 0.598 63 D N 2.213 122.816 120.400 0.338 0.000 2.493 63 D HA -0.009 4.631 4.640 0.000 0.000 0.240 63 D C -1.477 174.951 176.300 0.213 0.000 1.142 63 D CA -1.307 52.827 54.000 0.223 0.000 0.872 63 D CB 1.231 42.237 40.800 0.344 0.000 1.173 63 D HN -0.033 nan 8.370 nan 0.000 0.467 64 P HA -0.123 nan 4.420 nan 0.000 0.217 64 P C 0.823 178.181 177.300 0.097 0.000 1.148 64 P CA 1.770 64.932 63.100 0.103 0.000 0.828 64 P CB 0.081 31.822 31.700 0.068 0.000 0.783 65 A N -1.440 121.448 122.820 0.113 0.000 2.168 65 A HA -0.026 4.294 4.320 0.000 0.000 0.215 65 A C 1.000 178.637 177.584 0.090 0.000 1.152 65 A CA 0.893 52.989 52.037 0.097 0.000 0.716 65 A CB -1.400 17.666 19.000 0.110 0.000 0.794 65 A HN 0.154 nan 8.150 nan 0.000 0.465 66 T N 1.818 116.438 114.554 0.111 0.000 2.888 66 T HA 0.076 4.426 4.350 0.000 0.000 0.301 66 T C 0.273 174.961 174.700 -0.021 0.000 1.001 66 T CA -0.406 61.734 62.100 0.067 0.000 1.147 66 T CB 0.305 69.234 68.868 0.102 0.000 0.931 66 T HN 0.396 nan 8.240 nan 0.000 0.541 67 N N 2.481 121.157 118.700 -0.040 0.000 2.405 67 N HA -0.027 4.713 4.740 0.000 0.000 0.260 67 N C 0.773 176.195 175.510 -0.147 0.000 1.152 67 N CA -0.069 52.944 53.050 -0.062 0.000 0.948 67 N CB 1.004 39.470 38.487 -0.035 0.000 1.111 67 N HN 0.629 nan 8.380 nan 0.000 0.485 68 D N 3.853 124.161 120.400 -0.154 0.000 2.123 68 D HA -0.141 4.499 4.640 0.000 0.000 0.196 68 D C 1.669 177.851 176.300 -0.197 0.000 0.992 68 D CA 1.826 55.691 54.000 -0.224 0.000 0.833 68 D CB 0.236 40.959 40.800 -0.128 0.000 0.954 68 D HN 0.667 nan 8.370 nan 0.000 0.455 69 A N 0.331 123.074 122.820 -0.129 0.000 1.902 69 A HA -0.164 4.156 4.320 0.000 0.000 0.217 69 A C 2.089 179.601 177.584 -0.120 0.000 1.181 69 A CA 1.290 53.261 52.037 -0.110 0.000 0.623 69 A CB -0.366 18.591 19.000 -0.073 0.000 0.818 69 A HN 0.077 nan 8.150 nan 0.000 0.443 70 K N 0.032 120.366 120.400 -0.110 0.000 2.148 70 K HA 0.001 4.321 4.320 0.000 0.000 0.204 70 K C 2.235 178.728 176.600 -0.178 0.000 1.050 70 K CA 1.175 57.406 56.287 -0.093 0.000 0.942 70 K CB -0.742 31.743 32.500 -0.026 0.000 0.724 70 K HN 0.455 nan 8.250 nan 0.000 0.446 71 A N 1.936 124.582 122.820 -0.290 0.000 1.858 71 A HA -0.190 4.131 4.320 0.000 0.000 0.216 71 A C 2.265 179.622 177.584 -0.379 0.000 1.190 71 A CA 1.485 53.214 52.037 -0.512 0.000 0.617 71 A CB -0.486 17.837 19.000 -1.128 0.000 0.827 71 A HN 0.258 nan 8.150 nan 0.000 0.443 72 R N -0.656 119.698 120.500 -0.244 0.000 2.091 72 R HA -0.189 4.152 4.340 0.000 0.000 0.238 72 R C 2.018 178.227 176.300 -0.153 0.000 1.136 72 R CA 1.693 57.725 56.100 -0.113 0.000 0.959 72 R CB -0.504 29.730 30.300 -0.111 0.000 0.856 72 R HN 0.735 nan 8.270 nan 0.000 0.437 73 D N 0.082 120.387 120.400 -0.158 0.000 2.117 73 D HA -0.125 4.515 4.640 0.000 0.000 0.197 73 D C 1.745 177.924 176.300 -0.201 0.000 0.987 73 D CA 0.993 54.906 54.000 -0.144 0.000 0.829 73 D CB 0.190 40.927 40.800 -0.104 0.000 0.961 73 D HN -0.053 nan 8.370 nan 0.000 0.460 74 V N -0.172 119.569 119.914 -0.289 0.000 2.358 74 V HA -0.190 3.930 4.120 0.000 0.000 0.246 74 V C 2.546 178.534 176.094 -0.178 0.000 1.047 74 V CA 1.248 63.335 62.300 -0.355 0.000 1.035 74 V CB -0.275 31.364 31.823 -0.307 0.000 0.658 74 V HN 0.186 nan 8.190 nan 0.000 0.452 75 V N 0.658 120.450 119.914 -0.204 0.000 2.427 75 V HA -0.210 3.910 4.120 0.000 0.000 0.248 75 V C 2.314 178.298 176.094 -0.184 0.000 1.051 75 V CA 1.899 64.061 62.300 -0.229 0.000 1.048 75 V CB -0.862 30.735 31.823 -0.377 0.000 0.666 75 V HN 0.568 nan 8.190 nan 0.000 0.456 76 N N 0.560 119.164 118.700 -0.160 0.000 2.120 76 N HA -0.149 4.592 4.740 0.000 0.000 0.188 76 N C 1.964 177.426 175.510 -0.081 0.000 1.024 76 N CA 1.311 54.289 53.050 -0.121 0.000 0.852 76 N CB -0.367 38.058 38.487 -0.104 0.000 1.003 76 N HN 0.479 nan 8.380 nan 0.000 0.424 77 R N 0.426 120.882 120.500 -0.072 0.000 2.127 77 R HA 0.009 4.350 4.340 0.000 0.000 0.238 77 R C 2.182 178.471 176.300 -0.019 0.000 1.134 77 R CA 0.759 56.842 56.100 -0.027 0.000 0.975 77 R CB -0.251 30.043 30.300 -0.010 0.000 0.865 77 R HN 0.226 nan 8.270 nan 0.000 0.447 78 L N -0.248 120.955 121.223 -0.033 0.000 2.068 78 L HA -0.111 4.229 4.340 0.000 0.000 0.204 78 L C 2.638 179.505 176.870 -0.005 0.000 1.076 78 L CA 1.589 56.423 54.840 -0.010 0.000 0.753 78 L CB -0.763 41.319 42.059 0.039 0.000 0.910 78 L HN 0.337 nan 8.230 nan 0.000 0.439 79 T N -2.326 112.206 114.554 -0.037 0.000 2.881 79 T HA -0.113 4.237 4.350 0.000 0.000 0.270 79 T C 1.901 176.571 174.700 -0.050 0.000 1.068 79 T CA 0.868 62.943 62.100 -0.042 0.000 1.131 79 T CB -0.394 68.424 68.868 -0.082 0.000 0.871 79 T HN 0.292 nan 8.240 nan 0.000 0.479 80 A N 1.666 124.455 122.820 -0.052 0.000 2.019 80 A HA 0.156 4.477 4.320 0.000 0.000 0.219 80 A C 2.321 179.845 177.584 -0.100 0.000 1.164 80 A CA 1.075 53.072 52.037 -0.067 0.000 0.644 80 A CB -0.933 18.048 19.000 -0.031 0.000 0.805 80 A HN 0.589 nan 8.150 nan 0.000 0.449 81 L N -1.045 120.164 121.223 -0.023 0.000 2.353 81 L HA -0.153 4.187 4.340 0.000 0.000 0.220 81 L C 2.168 179.007 176.870 -0.051 0.000 1.133 81 L CA 1.164 56.029 54.840 0.043 0.000 0.798 81 L CB -0.342 41.774 42.059 0.096 0.000 0.922 81 L HN 0.333 nan 8.230 nan 0.000 0.445 82 K N 0.226 120.576 120.400 -0.084 0.000 2.362 82 K HA -0.057 4.264 4.320 0.000 0.000 0.200 82 K C 2.187 178.698 176.600 -0.148 0.000 1.046 82 K CA 0.894 57.134 56.287 -0.079 0.000 0.952 82 K CB -0.140 32.328 32.500 -0.053 0.000 0.753 82 K HN 0.283 nan 8.250 nan 0.000 0.466 83 A N 0.754 123.392 122.820 -0.303 0.000 2.019 83 A HA -0.159 4.161 4.320 0.000 0.000 0.219 83 A C 1.183 178.569 177.584 -0.331 0.000 1.164 83 A CA 1.270 53.093 52.037 -0.357 0.000 0.644 83 A CB -0.560 18.152 19.000 -0.480 0.000 0.805 83 A HN 0.417 nan 8.150 nan 0.000 0.449 84 H N -2.053 117.019 119.070 0.005 0.000 2.551 84 H HA 0.220 4.776 4.556 0.000 0.000 0.271 84 H C -0.054 175.281 175.328 0.010 0.000 0.984 84 H CA 0.300 56.354 56.048 0.009 0.000 1.164 84 H CB 0.307 30.076 29.762 0.013 0.000 1.437 84 H HN 0.385 nan 8.280 nan 0.000 0.550 85 N N 0.504 119.238 118.700 0.058 0.000 2.699 85 N HA 0.042 4.783 4.740 0.000 0.000 0.271 85 N C -2.413 173.099 175.510 0.003 0.000 1.216 85 N CA -1.703 51.372 53.050 0.042 0.000 0.844 85 N CB 1.509 40.028 38.487 0.054 0.000 1.462 85 N HN -0.102 nan 8.380 nan 0.000 0.555 86 P HA 0.018 nan 4.420 nan 0.000 0.234 86 P C 0.395 177.681 177.300 -0.023 0.000 1.167 86 P CA 0.636 63.727 63.100 -0.016 0.000 0.763 86 P CB 0.509 32.202 31.700 -0.010 0.000 0.835 87 S N -0.724 114.965 115.700 -0.019 0.000 2.517 87 S HA 0.087 4.557 4.470 0.000 0.000 0.214 87 S C 0.785 175.339 174.600 -0.076 0.000 0.991 87 S CA -0.392 57.787 58.200 -0.036 0.000 0.906 87 S CB -0.392 62.799 63.200 -0.016 0.000 0.789 87 S HN 0.083 nan 8.310 nan 0.000 0.513 88 L N 3.169 124.358 121.223 -0.057 0.000 2.416 88 L HA 0.304 4.644 4.340 0.000 0.000 0.272 88 L C -0.003 176.813 176.870 -0.089 0.000 1.161 88 L CA 0.407 55.202 54.840 -0.075 0.000 0.845 88 L CB 0.265 42.314 42.059 -0.017 0.000 1.119 88 L HN -0.007 nan 8.230 nan 0.000 0.464 89 R N 5.519 125.932 120.500 -0.146 0.000 2.599 89 R HA 0.557 4.897 4.340 0.000 0.000 0.295 89 R C -1.153 175.182 176.300 0.058 0.000 0.963 89 R CA -0.913 55.153 56.100 -0.057 0.000 0.883 89 R CB 1.666 31.889 30.300 -0.127 0.000 1.171 89 R HN 0.498 nan 8.270 nan 0.000 0.450 90 I N 4.892 125.558 120.570 0.160 0.000 2.337 90 I HA 0.248 4.419 4.170 0.000 0.000 0.285 90 I C 0.218 176.592 176.117 0.429 0.000 1.041 90 I CA -0.275 61.186 61.300 0.268 0.000 1.199 90 I CB 0.736 38.900 38.000 0.272 0.000 1.370 90 I HN 0.512 nan 8.210 nan 0.000 0.470 91 M N 6.060 125.838 119.600 0.297 0.000 2.371 91 M HA 0.484 4.964 4.480 0.000 0.000 0.301 91 M C -0.288 176.068 176.300 0.094 0.000 1.173 91 M CA -0.427 54.989 55.300 0.193 0.000 1.020 91 M CB 1.176 33.800 32.600 0.041 0.000 1.490 91 M HN 0.356 nan 8.290 nan 0.000 0.485 92 F N -1.252 118.479 119.950 -0.365 0.000 2.546 92 F HA 0.747 5.274 4.527 0.000 0.000 0.320 92 F C -0.357 175.348 175.800 -0.158 0.000 1.076 92 F CA -1.130 56.568 58.000 -0.504 0.000 0.928 92 F CB 1.270 39.487 39.000 -1.304 0.000 1.189 92 F HN 0.479 nan 8.300 nan 0.000 0.465 93 S N 3.105 118.860 115.700 0.092 0.000 2.472 93 S HA 0.731 5.201 4.470 0.000 0.000 0.303 93 S C -0.822 174.015 174.600 0.395 0.000 1.099 93 S CA -0.651 57.676 58.200 0.211 0.000 1.077 93 S CB 0.486 63.977 63.200 0.485 0.000 1.031 93 S HN 0.616 nan 8.310 nan 0.000 0.487 94 I N 4.747 125.492 120.570 0.292 0.000 2.339 94 I HA 0.618 4.789 4.170 0.000 0.000 0.290 94 I C 1.027 177.329 176.117 0.309 0.000 0.994 94 I CA -0.037 61.466 61.300 0.339 0.000 1.191 94 I CB 1.016 39.195 38.000 0.298 0.000 1.343 94 I HN 0.982 nan 8.210 nan 0.000 0.458 95 G N 4.284 113.230 108.800 0.243 0.000 2.460 95 G HA2 0.317 4.278 3.960 0.000 0.000 0.208 95 G HA3 0.317 4.278 3.960 0.000 0.000 0.208 95 G C 0.032 174.461 174.900 -0.786 0.000 1.185 95 G CA 0.067 45.103 45.100 -0.107 0.000 1.262 95 G HN 1.503 nan 8.290 nan 0.000 0.522 96 G N -1.853 106.297 108.800 -1.084 0.000 2.699 96 G HA2 0.096 4.056 3.960 0.000 0.000 0.686 96 G HA3 0.096 4.056 3.960 0.000 0.000 0.686 96 G C 0.698 175.135 174.900 -0.773 0.000 1.301 96 G CA 0.476 44.676 45.100 -1.500 0.000 0.816 96 G HN 1.930 nan 8.290 nan 0.000 0.595 97 W N 0.683 121.566 121.300 -0.696 0.000 2.333 97 W HA -0.203 4.457 4.660 0.000 0.000 0.316 97 W C 2.061 178.362 176.519 -0.364 0.000 1.215 97 W CA 2.690 59.735 57.345 -0.500 0.000 1.278 97 W CB -0.363 28.845 29.460 -0.420 0.000 1.154 97 W HN 0.726 nan 8.180 nan 0.000 0.486 98 Y N 0.411 120.486 120.300 -0.374 0.000 2.128 98 Y HA -0.333 4.218 4.550 0.000 0.000 0.284 98 Y C 2.401 178.128 175.900 -0.289 0.000 1.154 98 Y CA 2.708 60.614 58.100 -0.322 0.000 1.149 98 Y CB -1.200 37.111 38.460 -0.249 0.000 0.976 98 Y HN -0.107 nan 8.280 nan 0.000 0.505 99 Y N -0.644 119.434 120.300 -0.370 0.000 2.243 99 Y HA -0.050 4.500 4.550 0.000 0.000 0.293 99 Y C 2.783 178.358 175.900 -0.542 0.000 1.124 99 Y CA 1.068 58.929 58.100 -0.397 0.000 1.159 99 Y CB -1.003 37.364 38.460 -0.156 0.000 1.008 99 Y HN 0.279 nan 8.280 nan 0.000 0.527 100 S N -0.159 115.180 115.700 -0.601 0.000 2.539 100 S HA 0.094 4.564 4.470 0.000 0.000 0.221 100 S C 0.313 174.507 174.600 -0.677 0.000 0.987 100 S CA -0.449 57.216 58.200 -0.892 0.000 0.929 100 S CB -1.252 61.079 63.200 -1.448 0.000 0.832 100 S HN 0.482 nan 8.310 nan 0.000 0.492 101 N N 1.635 119.798 118.700 -0.896 0.000 2.340 101 N HA 0.077 4.817 4.740 0.000 0.000 0.236 101 N C 0.255 175.321 175.510 -0.740 0.000 1.296 101 N CA 0.016 52.419 53.050 -1.078 0.000 0.896 101 N CB 0.190 37.387 38.487 -2.149 0.000 1.127 101 N HN -0.178 nan 8.380 nan 0.000 0.442 102 D N 0.154 120.150 120.400 -0.673 0.000 2.172 102 D HA -0.159 4.481 4.640 0.000 0.000 0.196 102 D C 1.019 176.910 176.300 -0.681 0.000 0.999 102 D CA 1.476 54.967 54.000 -0.849 0.000 0.856 102 D CB -0.134 40.419 40.800 -0.411 0.000 0.934 102 D HN 0.549 nan 8.370 nan 0.000 0.453 103 L N -0.211 120.740 121.223 -0.454 0.000 2.741 103 L HA 0.318 4.658 4.340 0.000 0.000 0.237 103 L C 1.248 177.929 176.870 -0.314 0.000 1.178 103 L CA -0.551 54.111 54.840 -0.298 0.000 0.973 103 L CB 0.443 42.392 42.059 -0.184 0.000 1.255 103 L HN -0.137 nan 8.230 nan 0.000 0.498 104 G N 0.050 108.599 108.800 -0.418 0.000 2.539 104 G HA2 0.284 4.244 3.960 0.000 0.000 0.258 104 G HA3 0.284 4.244 3.960 0.000 0.000 0.258 104 G C 1.243 175.957 174.900 -0.311 0.000 1.202 104 G CA 0.044 44.878 45.100 -0.444 0.000 0.851 104 G HN 0.019 nan 8.290 nan 0.000 0.556 105 V N -0.916 118.768 119.914 -0.383 0.000 2.392 105 V HA -0.113 4.008 4.120 0.000 0.000 0.249 105 V C 1.886 177.890 176.094 -0.149 0.000 1.059 105 V CA 2.377 64.533 62.300 -0.240 0.000 1.051 105 V CB -0.493 31.184 31.823 -0.244 0.000 0.658 105 V HN 0.443 nan 8.190 nan 0.000 0.455 106 S N -1.150 114.468 115.700 -0.137 0.000 2.568 106 S HA 0.198 4.668 4.470 0.000 0.000 0.232 106 S C 1.436 176.025 174.600 -0.020 0.000 0.975 106 S CA 0.164 58.314 58.200 -0.084 0.000 0.949 106 S CB -0.604 62.549 63.200 -0.077 0.000 0.829 106 S HN 0.815 nan 8.310 nan 0.000 0.479 107 H N 2.590 121.551 119.070 -0.181 0.000 2.289 107 H HA -0.194 4.362 4.556 0.000 0.000 0.294 107 H C 2.219 177.448 175.328 -0.164 0.000 1.095 107 H CA 1.945 57.861 56.048 -0.219 0.000 1.256 107 H CB -0.186 29.431 29.762 -0.243 0.000 1.359 107 H HN 0.469 nan 8.280 nan 0.000 0.487 108 A N 1.251 123.971 122.820 -0.166 0.000 1.948 108 A HA -0.242 4.079 4.320 0.000 0.000 0.220 108 A C 2.210 179.617 177.584 -0.295 0.000 1.177 108 A CA 1.802 53.711 52.037 -0.214 0.000 0.636 108 A CB -0.432 18.508 19.000 -0.100 0.000 0.815 108 A HN 0.580 nan 8.150 nan 0.000 0.449 109 N N -1.094 117.423 118.700 -0.305 0.000 2.166 109 N HA -0.147 4.593 4.740 0.000 0.000 0.186 109 N C 1.453 176.572 175.510 -0.651 0.000 1.019 109 N CA 1.626 54.424 53.050 -0.421 0.000 0.856 109 N CB -0.615 37.608 38.487 -0.439 0.000 0.993 109 N HN 0.670 nan 8.380 nan 0.000 0.426 110 Y N 1.143 120.973 120.300 -0.784 0.000 2.133 110 Y HA -0.076 4.474 4.550 0.000 0.000 0.287 110 Y C 2.564 177.885 175.900 -0.966 0.000 1.134 110 Y CA 0.664 58.067 58.100 -1.161 0.000 1.133 110 Y CB -0.834 36.450 38.460 -1.960 0.000 0.987 110 Y HN -0.207 nan 8.280 nan 0.000 0.502 111 V N 0.656 120.187 119.914 -0.638 0.000 2.282 111 V HA -0.372 3.748 4.120 0.000 0.000 0.249 111 V C 1.650 177.657 176.094 -0.145 0.000 1.057 111 V CA 2.501 64.677 62.300 -0.207 0.000 1.032 111 V CB -0.834 30.870 31.823 -0.197 0.000 0.645 111 V HN 0.503 nan 8.190 nan 0.000 0.447 112 N N -0.015 118.554 118.700 -0.219 0.000 2.270 112 N HA -0.063 4.677 4.740 0.000 0.000 0.181 112 N C 1.861 177.270 175.510 -0.169 0.000 1.016 112 N CA 1.028 53.982 53.050 -0.159 0.000 0.870 112 N CB -0.300 38.091 38.487 -0.159 0.000 0.979 112 N HN 0.488 nan 8.380 nan 0.000 0.431 113 A N 0.826 123.471 122.820 -0.293 0.000 1.972 113 A HA -0.087 4.233 4.320 0.000 0.000 0.219 113 A C 2.183 179.673 177.584 -0.156 0.000 1.169 113 A CA 1.385 53.233 52.037 -0.315 0.000 0.635 113 A CB -0.599 17.969 19.000 -0.721 0.000 0.810 113 A HN 0.252 nan 8.150 nan 0.000 0.446 114 V N -3.349 116.516 119.914 -0.082 0.000 3.649 114 V HA 0.094 4.214 4.120 0.000 0.000 0.275 114 V C 1.665 177.804 176.094 0.075 0.000 1.281 114 V CA 1.135 63.478 62.300 0.072 0.000 1.143 114 V CB -0.515 31.452 31.823 0.239 0.000 0.892 114 V HN 0.403 nan 8.190 nan 0.000 0.441 115 K N 1.753 122.173 120.400 0.033 0.000 2.009 115 K HA -0.057 4.263 4.320 0.000 0.000 0.210 115 K C 1.231 177.851 176.600 0.034 0.000 1.049 115 K CA 2.036 58.343 56.287 0.034 0.000 0.929 115 K CB -0.226 32.279 32.500 0.008 0.000 0.714 115 K HN 0.791 nan 8.250 nan 0.000 0.440 116 T N -3.402 111.168 114.554 0.027 0.000 2.910 116 T HA 0.265 4.615 4.350 0.000 0.000 0.287 116 T C -2.443 172.277 174.700 0.033 0.000 1.050 116 T CA -2.018 60.098 62.100 0.027 0.000 1.011 116 T CB 1.862 70.740 68.868 0.017 0.000 1.195 116 T HN -0.269 nan 8.240 nan 0.000 0.540 117 P HA 0.022 nan 4.420 nan 0.000 0.216 117 P C 1.622 178.940 177.300 0.029 0.000 1.153 117 P CA 1.518 64.635 63.100 0.029 0.000 0.848 117 P CB -0.267 31.446 31.700 0.021 0.000 0.787 118 A N 0.043 122.877 122.820 0.023 0.000 1.898 118 A HA -0.183 4.138 4.320 0.000 0.000 0.216 118 A C 2.385 179.987 177.584 0.030 0.000 1.181 118 A CA 2.344 54.395 52.037 0.022 0.000 0.620 118 A CB -1.620 17.389 19.000 0.014 0.000 0.819 118 A HN 0.330 nan 8.150 nan 0.000 0.442 119 S N -0.082 115.636 115.700 0.029 0.000 2.368 119 S HA -0.164 4.306 4.470 0.000 0.000 0.224 119 S C 2.030 176.680 174.600 0.083 0.000 1.029 119 S CA 1.106 59.327 58.200 0.035 0.000 0.988 119 S CB -0.499 62.703 63.200 0.003 0.000 0.838 119 S HN 0.589 nan 8.310 nan 0.000 0.462 120 R N 1.565 122.117 120.500 0.087 0.000 2.091 120 R HA 0.028 4.368 4.340 0.000 0.000 0.238 120 R C 2.775 179.145 176.300 0.117 0.000 1.136 120 R CA 1.380 57.562 56.100 0.137 0.000 0.959 120 R CB -0.842 29.518 30.300 0.101 0.000 0.856 120 R HN 0.590 nan 8.270 nan 0.000 0.437 121 A N 1.427 124.286 122.820 0.065 0.000 1.902 121 A HA -0.203 4.117 4.320 0.000 0.000 0.217 121 A C 2.080 179.684 177.584 0.033 0.000 1.181 121 A CA 1.478 53.536 52.037 0.035 0.000 0.623 121 A CB -0.363 18.650 19.000 0.022 0.000 0.818 121 A HN 0.234 nan 8.150 nan 0.000 0.443 122 K N -1.609 118.822 120.400 0.053 0.000 2.097 122 K HA -0.152 4.168 4.320 0.000 0.000 0.205 122 K C 1.802 178.453 176.600 0.085 0.000 1.050 122 K CA 1.602 57.920 56.287 0.052 0.000 0.938 122 K CB -0.310 32.219 32.500 0.049 0.000 0.718 122 K HN 0.405 nan 8.250 nan 0.000 0.442 123 F N 1.384 121.314 119.950 -0.032 0.000 2.084 123 F HA -0.033 4.494 4.527 0.000 0.000 0.296 123 F C 2.017 177.805 175.800 -0.020 0.000 1.111 123 F CA 1.306 59.281 58.000 -0.042 0.000 1.224 123 F CB -0.854 38.110 39.000 -0.059 0.000 0.991 123 F HN 0.066 nan 8.300 nan 0.000 0.471 124 A N 0.315 122.993 122.820 -0.237 0.000 1.892 124 A HA -0.303 4.017 4.320 0.000 0.000 0.218 124 A C 2.149 179.591 177.584 -0.237 0.000 1.188 124 A CA 2.202 54.045 52.037 -0.322 0.000 0.631 124 A CB -1.119 17.809 19.000 -0.120 0.000 0.822 124 A HN 0.636 nan 8.150 nan 0.000 0.447 125 Q N -0.076 119.650 119.800 -0.123 0.000 2.135 125 Q HA -0.162 4.178 4.340 0.000 0.000 0.204 125 Q C 2.461 178.410 176.000 -0.085 0.000 0.981 125 Q CA 2.037 57.791 55.803 -0.081 0.000 0.856 125 Q CB -0.295 28.421 28.738 -0.037 0.000 0.902 125 Q HN 0.893 nan 8.270 nan 0.000 0.425 126 S N -0.583 115.058 115.700 -0.098 0.000 2.402 126 S HA -0.149 4.321 4.470 0.000 0.000 0.229 126 S C 2.111 176.660 174.600 -0.085 0.000 1.021 126 S CA 1.017 59.179 58.200 -0.062 0.000 0.974 126 S CB -0.620 62.573 63.200 -0.011 0.000 0.800 126 S HN 0.429 nan 8.310 nan 0.000 0.484 127 C N 1.148 120.321 119.300 -0.211 0.000 2.453 127 C HA 0.059 4.520 4.460 0.000 0.000 0.277 127 C C 2.804 177.818 174.990 0.040 0.000 1.262 127 C CA 0.651 59.614 59.018 -0.092 0.000 1.718 127 C CB -1.368 26.182 27.740 -0.317 0.000 2.031 127 C HN 0.539 nan 8.230 nan 0.000 0.480 128 V N 0.965 120.846 119.914 -0.054 0.000 2.343 128 V HA -0.208 3.912 4.120 0.000 0.000 0.247 128 V C 2.662 178.739 176.094 -0.028 0.000 1.051 128 V CA 2.076 64.344 62.300 -0.054 0.000 1.036 128 V CB -0.782 30.986 31.823 -0.090 0.000 0.654 128 V HN 0.510 nan 8.190 nan 0.000 0.451 129 R N -0.142 120.346 120.500 -0.019 0.000 2.081 129 R HA -0.147 4.193 4.340 0.000 0.000 0.235 129 R C 2.279 178.608 176.300 0.048 0.000 1.131 129 R CA 1.672 57.773 56.100 0.002 0.000 0.960 129 R CB -0.169 30.134 30.300 0.006 0.000 0.856 129 R HN 0.340 nan 8.270 nan 0.000 0.436 130 I N 1.099 121.707 120.570 0.063 0.000 2.252 130 I HA -0.297 3.874 4.170 0.000 0.000 0.245 130 I C 2.522 178.722 176.117 0.137 0.000 1.102 130 I CA 1.268 62.633 61.300 0.109 0.000 1.385 130 I CB -0.951 36.967 38.000 -0.137 0.000 1.064 130 I HN 0.410 nan 8.210 nan 0.000 0.414 131 M N 0.578 120.238 119.600 0.099 0.000 2.065 131 M HA -0.262 4.219 4.480 0.000 0.000 0.259 131 M C 2.183 178.588 176.300 0.175 0.000 1.069 131 M CA 1.931 57.397 55.300 0.275 0.000 1.110 131 M CB -0.163 32.613 32.600 0.293 0.000 1.328 131 M HN -0.007 nan 8.290 nan 0.000 0.405 132 K N 0.131 120.555 120.400 0.041 0.000 2.148 132 K HA -0.143 4.177 4.320 0.000 0.000 0.204 132 K C 1.673 178.258 176.600 -0.026 0.000 1.050 132 K CA 1.451 57.732 56.287 -0.010 0.000 0.942 132 K CB -0.803 31.666 32.500 -0.053 0.000 0.724 132 K HN 0.468 nan 8.250 nan 0.000 0.446 133 D N -0.105 120.281 120.400 -0.022 0.000 2.144 133 D HA -0.155 4.486 4.640 0.000 0.000 0.199 133 D C 1.255 177.330 176.300 -0.376 0.000 0.984 133 D CA 1.218 55.107 54.000 -0.185 0.000 0.834 133 D CB 0.079 40.769 40.800 -0.184 0.000 0.955 133 D HN 0.206 nan 8.370 nan 0.000 0.465 134 Y N -1.153 119.100 120.300 -0.078 0.000 2.462 134 Y HA 0.338 4.888 4.550 0.000 0.000 0.261 134 Y C 1.727 177.390 175.900 -0.395 0.000 1.146 134 Y CA 0.411 58.377 58.100 -0.223 0.000 1.283 134 Y CB 0.831 39.181 38.460 -0.182 0.000 1.090 134 Y HN 0.074 nan 8.280 nan 0.000 0.526 135 G N -0.329 108.381 108.800 -0.150 0.000 2.140 135 G HA2 -0.262 3.698 3.960 0.000 0.000 0.211 135 G HA3 -0.262 3.698 3.960 0.000 0.000 0.211 135 G C -0.176 174.662 174.900 -0.105 0.000 1.013 135 G CA -0.552 44.468 45.100 -0.134 0.000 0.705 135 G HN 0.119 nan 8.290 nan 0.000 0.508 136 F N 0.425 120.457 119.950 0.137 0.000 2.378 136 F HA 0.469 4.996 4.527 0.000 0.000 0.319 136 F C 1.347 177.289 175.800 0.237 0.000 1.155 136 F CA -0.307 57.817 58.000 0.207 0.000 1.157 136 F CB 0.680 39.883 39.000 0.339 0.000 1.252 136 F HN -0.009 nan 8.300 nan 0.000 0.550 137 D N 0.051 120.747 120.400 0.493 0.000 2.433 137 D HA 0.299 4.940 4.640 0.000 0.000 0.211 137 D C 0.597 177.150 176.300 0.421 0.000 1.114 137 D CA 0.417 54.674 54.000 0.428 0.000 0.837 137 D CB 0.869 41.827 40.800 0.264 0.000 0.984 137 D HN 0.616 nan 8.370 nan 0.000 0.505 138 G N -0.337 108.665 108.800 0.336 0.000 2.356 138 G HA2 0.368 4.328 3.960 0.000 0.000 0.294 138 G HA3 0.368 4.328 3.960 0.000 0.000 0.294 138 G C -1.866 172.997 174.900 -0.062 0.000 1.423 138 G CA -0.566 44.642 45.100 0.179 0.000 0.806 138 G HN -0.073 nan 8.290 nan 0.000 0.527 139 V N 0.553 120.338 119.914 -0.214 0.000 2.540 139 V HA 0.619 4.740 4.120 0.000 0.000 0.302 139 V C -0.993 174.901 176.094 -0.333 0.000 1.035 139 V CA -0.487 61.471 62.300 -0.571 0.000 0.873 139 V CB 1.759 33.312 31.823 -0.450 0.000 0.992 139 V HN 0.858 nan 8.190 nan 0.000 0.428 140 D N 3.981 124.162 120.400 -0.364 0.000 2.391 140 D HA 0.517 5.157 4.640 0.000 0.000 0.245 140 D C -0.867 175.435 176.300 0.003 0.000 1.069 140 D CA -0.406 53.539 54.000 -0.091 0.000 0.831 140 D CB 1.200 41.996 40.800 -0.007 0.000 1.204 140 D HN 0.255 nan 8.370 nan 0.000 0.503 141 I N 3.966 124.600 120.570 0.107 0.000 2.336 141 I HA 0.267 4.437 4.170 0.000 0.000 0.292 141 I C 0.158 176.423 176.117 0.247 0.000 0.991 141 I CA -0.352 61.081 61.300 0.223 0.000 1.227 141 I CB 1.047 39.234 38.000 0.313 0.000 1.366 141 I HN 0.599 nan 8.210 nan 0.000 0.466 142 N N 6.821 125.650 118.700 0.214 0.000 2.757 142 N HA 0.042 4.782 4.740 0.000 0.000 0.296 142 N C -1.044 174.412 175.510 -0.089 0.000 1.874 142 N CA -0.467 52.626 53.050 0.071 0.000 0.885 142 N CB 0.645 39.187 38.487 0.092 0.000 1.242 142 N HN 0.529 nan 8.380 nan 0.000 0.488 143 W N 2.515 123.649 121.300 -0.278 0.000 2.388 143 W HA 0.282 4.942 4.660 0.000 0.000 0.308 143 W C -0.750 175.331 176.519 -0.731 0.000 1.263 143 W CA -0.563 56.464 57.345 -0.529 0.000 1.286 143 W CB 0.155 29.401 29.460 -0.356 0.000 1.294 143 W HN 0.256 nan 8.180 nan 0.000 0.493 144 E N 6.480 126.366 120.200 -0.524 0.000 2.400 144 E HA 0.211 4.561 4.350 0.000 0.000 0.232 144 E C -1.484 174.688 176.600 -0.713 0.000 0.988 144 E CA -0.260 55.302 56.400 -1.397 0.000 0.823 144 E CB 0.604 29.540 29.700 -1.273 0.000 1.246 144 E HN 0.271 nan 8.360 nan 0.000 0.441 145 Y N 0.605 120.792 120.300 -0.188 0.000 2.581 145 Y HA 0.305 4.856 4.550 0.000 0.000 0.337 145 Y C -2.398 172.992 175.900 -0.849 0.000 1.108 145 Y CA -2.698 55.114 58.100 -0.481 0.000 1.033 145 Y CB 1.442 39.777 38.460 -0.208 0.000 1.318 145 Y HN 0.242 nan 8.280 nan 0.000 0.459 146 P HA 0.110 nan 4.420 nan 0.000 0.275 146 P C -1.440 175.577 177.300 -0.471 0.000 1.228 146 P CA -0.225 62.008 63.100 -1.445 0.000 0.786 146 P CB 1.359 31.770 31.700 -2.149 0.000 0.927 147 Q N 1.535 121.209 119.800 -0.210 0.000 2.458 147 Q HA 0.606 4.947 4.340 0.000 0.000 0.282 147 Q C 0.796 176.776 176.000 -0.033 0.000 1.106 147 Q CA -0.919 54.851 55.803 -0.056 0.000 0.814 147 Q CB 1.419 30.167 28.738 0.017 0.000 1.425 147 Q HN 0.330 nan 8.270 nan 0.000 0.437 148 A N 1.763 124.576 122.820 -0.011 0.000 2.018 148 A HA -0.434 3.887 4.320 0.000 0.000 0.316 148 A C 2.065 179.653 177.584 0.006 0.000 4.379 148 A CA 3.945 55.980 52.037 -0.003 0.000 1.023 148 A CB -2.113 16.885 19.000 -0.003 0.000 0.534 148 A HN 1.472 nan 8.150 nan 0.000 0.453 149 A N -1.423 121.406 122.820 0.016 0.000 2.070 149 A HA -0.040 4.280 4.320 0.000 0.000 0.220 149 A C 1.746 179.353 177.584 0.038 0.000 1.159 149 A CA 2.027 54.081 52.037 0.028 0.000 0.656 149 A CB -0.550 18.471 19.000 0.035 0.000 0.800 149 A HN 0.793 nan 8.150 nan 0.000 0.453 150 E N -0.820 119.395 120.200 0.025 0.000 2.447 150 E HA 0.066 4.416 4.350 0.000 0.000 0.195 150 E C 1.614 178.226 176.600 0.020 0.000 1.028 150 E CA 0.343 56.768 56.400 0.041 0.000 0.876 150 E CB 0.111 29.837 29.700 0.045 0.000 0.885 150 E HN 0.351 nan 8.360 nan 0.000 0.500 151 V N 2.004 121.914 119.914 -0.007 0.000 2.332 151 V HA -0.282 3.838 4.120 0.000 0.000 0.248 151 V C 1.548 177.723 176.094 0.134 0.000 1.055 151 V CA 2.037 64.369 62.300 0.054 0.000 1.038 151 V CB -0.376 31.482 31.823 0.058 0.000 0.651 151 V HN 0.244 nan 8.190 nan 0.000 0.450 152 D N 0.652 121.106 120.400 0.091 0.000 2.117 152 D HA -0.108 4.533 4.640 0.000 0.000 0.197 152 D C 2.215 178.575 176.300 0.100 0.000 0.987 152 D CA 1.625 55.675 54.000 0.082 0.000 0.829 152 D CB -0.635 40.199 40.800 0.057 0.000 0.961 152 D HN 0.472 nan 8.370 nan 0.000 0.460 153 G N 0.141 109.015 108.800 0.123 0.000 2.421 153 G HA2 -0.278 3.682 3.960 0.000 0.000 0.216 153 G HA3 -0.278 3.682 3.960 0.000 0.000 0.216 153 G C 1.493 176.515 174.900 0.203 0.000 1.171 153 G CA 0.373 45.559 45.100 0.142 0.000 0.775 153 G HN 0.229 nan 8.290 nan 0.000 0.543 154 F N 1.545 121.534 119.950 0.065 0.000 2.091 154 F HA -0.092 4.435 4.527 0.000 0.000 0.299 154 F C 2.452 178.281 175.800 0.049 0.000 1.103 154 F CA 1.341 59.383 58.000 0.071 0.000 1.228 154 F CB -0.343 38.608 39.000 -0.082 0.000 0.984 154 F HN 0.118 nan 8.300 nan 0.000 0.477 155 I N 0.297 120.874 120.570 0.013 0.000 2.179 155 I HA -0.321 3.849 4.170 0.000 0.000 0.242 155 I C 2.702 178.769 176.117 -0.082 0.000 1.088 155 I CA 1.480 62.717 61.300 -0.105 0.000 1.357 155 I CB -0.989 37.011 38.000 -0.001 0.000 1.051 155 I HN 0.230 nan 8.210 nan 0.000 0.409 156 A N 0.482 123.299 122.820 -0.006 0.000 1.972 156 A HA -0.165 4.155 4.320 0.000 0.000 0.219 156 A C 2.503 180.091 177.584 0.006 0.000 1.169 156 A CA 1.855 53.896 52.037 0.007 0.000 0.635 156 A CB -0.859 18.161 19.000 0.035 0.000 0.810 156 A HN 0.449 nan 8.150 nan 0.000 0.446 157 A N -0.256 122.579 122.820 0.025 0.000 1.898 157 A HA 0.000 4.321 4.320 0.000 0.000 0.216 157 A C 2.159 179.737 177.584 -0.009 0.000 1.181 157 A CA 1.413 53.494 52.037 0.074 0.000 0.620 157 A CB -0.543 18.570 19.000 0.188 0.000 0.819 157 A HN 0.469 nan 8.150 nan 0.000 0.442 158 L N -0.817 120.322 121.223 -0.140 0.000 2.056 158 L HA -0.255 4.085 4.340 0.000 0.000 0.207 158 L C 2.898 179.707 176.870 -0.102 0.000 1.078 158 L CA 1.620 56.354 54.840 -0.177 0.000 0.749 158 L CB -0.671 41.192 42.059 -0.328 0.000 0.901 158 L HN 0.481 nan 8.230 nan 0.000 0.433 159 Q N -0.296 119.456 119.800 -0.081 0.000 2.124 159 Q HA -0.275 4.065 4.340 0.000 0.000 0.202 159 Q C 2.070 178.050 176.000 -0.033 0.000 0.977 159 Q CA 1.809 57.583 55.803 -0.049 0.000 0.850 159 Q CB -0.124 28.595 28.738 -0.033 0.000 0.901 159 Q HN 0.397 nan 8.270 nan 0.000 0.429 160 E N 1.186 121.371 120.200 -0.024 0.000 2.072 160 E HA -0.135 4.215 4.350 0.000 0.000 0.191 160 E C 1.709 178.288 176.600 -0.035 0.000 0.985 160 E CA 0.925 57.315 56.400 -0.017 0.000 0.801 160 E CB -0.155 29.546 29.700 0.002 0.000 0.750 160 E HN 0.337 nan 8.360 nan 0.000 0.452 161 I N 0.402 120.940 120.570 -0.053 0.000 2.226 161 I HA -0.265 3.905 4.170 0.000 0.000 0.245 161 I C 2.552 178.636 176.117 -0.054 0.000 1.100 161 I CA 1.251 62.502 61.300 -0.081 0.000 1.374 161 I CB -0.293 37.641 38.000 -0.110 0.000 1.057 161 I HN 0.115 nan 8.210 nan 0.000 0.413 162 R N 1.139 121.613 120.500 -0.044 0.000 2.083 162 R HA -0.151 4.189 4.340 0.000 0.000 0.237 162 R C 2.127 178.420 176.300 -0.011 0.000 1.137 162 R CA 2.404 58.489 56.100 -0.026 0.000 0.951 162 R CB -1.254 29.026 30.300 -0.032 0.000 0.851 162 R HN 0.207 nan 8.270 nan 0.000 0.434 163 T N 1.571 116.116 114.554 -0.014 0.000 2.684 163 T HA -0.090 4.261 4.350 0.000 0.000 0.267 163 T C 1.758 176.457 174.700 -0.001 0.000 1.036 163 T CA 1.712 63.808 62.100 -0.005 0.000 1.148 163 T CB -0.234 68.630 68.868 -0.007 0.000 0.863 163 T HN 0.156 nan 8.240 nan 0.000 0.436 164 L N 0.343 121.558 121.223 -0.013 0.000 2.046 164 L HA -0.051 4.290 4.340 0.000 0.000 0.208 164 L C 2.545 179.415 176.870 0.001 0.000 1.077 164 L CA 1.206 56.037 54.840 -0.015 0.000 0.747 164 L CB -0.692 41.343 42.059 -0.040 0.000 0.896 164 L HN 0.265 nan 8.230 nan 0.000 0.432 165 L N -0.359 120.868 121.223 0.007 0.000 2.056 165 L HA -0.194 4.146 4.340 0.000 0.000 0.207 165 L C 2.344 179.296 176.870 0.136 0.000 1.078 165 L CA 1.016 55.893 54.840 0.062 0.000 0.749 165 L CB -0.621 41.483 42.059 0.074 0.000 0.901 165 L HN 0.326 nan 8.230 nan 0.000 0.433 166 N N -0.184 118.563 118.700 0.079 0.000 2.120 166 N HA -0.228 4.512 4.740 0.000 0.000 0.188 166 N C 1.850 177.403 175.510 0.073 0.000 1.024 166 N CA 1.035 54.127 53.050 0.070 0.000 0.852 166 N CB -0.249 38.258 38.487 0.033 0.000 1.003 166 N HN 0.237 nan 8.380 nan 0.000 0.424 167 Q N 0.739 120.573 119.800 0.057 0.000 2.119 167 Q HA -0.087 4.254 4.340 0.000 0.000 0.201 167 Q C 1.880 177.929 176.000 0.080 0.000 0.972 167 Q CA 1.375 57.208 55.803 0.050 0.000 0.847 167 Q CB -0.289 28.466 28.738 0.029 0.000 0.903 167 Q HN 0.240 nan 8.270 nan 0.000 0.433 168 Q N -0.742 119.125 119.800 0.111 0.000 2.084 168 Q HA -0.087 4.253 4.340 0.000 0.000 0.202 168 Q C 1.854 178.046 176.000 0.320 0.000 0.978 168 Q CA 2.226 58.128 55.803 0.166 0.000 0.844 168 Q CB -0.597 28.180 28.738 0.064 0.000 0.898 168 Q HN 0.456 nan 8.270 nan 0.000 0.426 169 T N 0.611 115.367 114.554 0.335 0.000 2.652 169 T HA -0.152 4.199 4.350 0.000 0.000 0.267 169 T C 1.725 176.457 174.700 0.054 0.000 1.039 169 T CA 1.605 63.778 62.100 0.122 0.000 1.153 169 T CB -0.316 68.564 68.868 0.020 0.000 0.863 169 T HN 0.266 nan 8.240 nan 0.000 0.428 170 I N 0.917 121.521 120.570 0.056 0.000 2.127 170 I HA -0.207 3.963 4.170 0.000 0.000 0.241 170 I C 2.748 178.889 176.117 0.039 0.000 1.075 170 I CA 1.275 62.594 61.300 0.031 0.000 1.334 170 I CB -0.723 37.292 38.000 0.026 0.000 1.040 170 I HN 0.256 nan 8.210 nan 0.000 0.405 171 T N 0.047 114.636 114.554 0.060 0.000 2.759 171 T HA -0.188 4.162 4.350 0.000 0.000 0.269 171 T C 1.229 175.966 174.700 0.062 0.000 1.042 171 T CA 1.560 63.693 62.100 0.055 0.000 1.140 171 T CB -0.257 68.645 68.868 0.058 0.000 0.864 171 T HN 0.300 nan 8.240 nan 0.000 0.455 172 D N 0.150 120.609 120.400 0.098 0.000 2.339 172 D HA 0.233 4.873 4.640 0.000 0.000 0.217 172 D C 1.362 177.682 176.300 0.032 0.000 1.050 172 D CA 0.337 54.392 54.000 0.091 0.000 0.856 172 D CB -0.283 40.632 40.800 0.193 0.000 0.922 172 D HN 0.449 nan 8.370 nan 0.000 0.518 173 G N 1.964 110.772 108.800 0.013 0.000 2.323 173 G HA2 -0.325 3.636 3.960 0.000 0.000 0.292 173 G HA3 -0.325 3.636 3.960 0.000 0.000 0.292 173 G C 0.757 175.628 174.900 -0.048 0.000 1.040 173 G CA -0.155 44.937 45.100 -0.014 0.000 0.942 173 G HN 0.177 nan 8.290 nan 0.000 0.506 174 R N -0.706 119.738 120.500 -0.094 0.000 2.586 174 R HA 0.165 4.505 4.340 0.000 0.000 0.306 174 R C 1.958 178.159 176.300 -0.166 0.000 1.079 174 R CA 0.068 56.057 56.100 -0.185 0.000 1.083 174 R CB 0.198 30.241 30.300 -0.427 0.000 1.306 174 R HN 0.586 nan 8.270 nan 0.000 0.567 175 Q N 0.073 119.816 119.800 -0.096 0.000 2.234 175 Q HA -0.077 4.263 4.340 0.000 0.000 0.206 175 Q C 1.921 177.879 176.000 -0.069 0.000 0.980 175 Q CA 1.934 57.694 55.803 -0.072 0.000 0.869 175 Q CB -0.092 28.620 28.738 -0.043 0.000 0.912 175 Q HN 0.322 nan 8.270 nan 0.000 0.436 176 A N -0.567 122.211 122.820 -0.070 0.000 2.014 176 A HA 0.045 4.365 4.320 0.000 0.000 0.218 176 A C 0.818 178.362 177.584 -0.067 0.000 1.163 176 A CA 0.645 52.648 52.037 -0.057 0.000 0.652 176 A CB 0.259 19.230 19.000 -0.048 0.000 0.808 176 A HN 0.288 nan 8.150 nan 0.000 0.449 177 L N 0.124 121.284 121.223 -0.104 0.000 2.448 177 L HA 0.395 4.736 4.340 0.000 0.000 0.257 177 L C -2.945 173.810 176.870 -0.193 0.000 1.504 177 L CA -1.949 52.823 54.840 -0.114 0.000 0.852 177 L CB 1.435 43.433 42.059 -0.102 0.000 1.051 177 L HN -0.138 nan 8.230 nan 0.000 0.518 178 P HA 0.018 nan 4.420 nan 0.000 0.265 178 P C -0.994 176.213 177.300 -0.154 0.000 1.187 178 P CA 0.302 63.289 63.100 -0.189 0.000 0.766 178 P CB 0.125 31.780 31.700 -0.074 0.000 0.820 179 Y N 1.062 121.382 120.300 0.034 0.000 2.610 179 Y HA 0.100 4.650 4.550 0.001 0.000 0.332 179 Y C 1.410 177.334 175.900 0.039 0.000 1.201 179 Y CA 0.817 58.946 58.100 0.048 0.000 1.465 179 Y CB 0.013 38.501 38.460 0.048 0.000 1.283 179 Y HN 0.346 nan 8.280 nan 0.000 0.563 180 Q N 1.735 121.664 119.800 0.214 0.000 2.359 180 Q HA 0.681 5.022 4.340 0.000 0.000 0.275 180 Q C -1.653 174.397 176.000 0.083 0.000 1.082 180 Q CA -1.357 54.526 55.803 0.133 0.000 0.849 180 Q CB 2.641 31.484 28.738 0.176 0.000 1.377 180 Q HN 0.539 nan 8.270 nan 0.000 0.452 181 L N 0.752 121.998 121.223 0.039 0.000 2.438 181 L HA 0.633 4.973 4.340 0.000 0.000 0.270 181 L C -1.176 175.700 176.870 0.011 0.000 0.972 181 L CA 0.077 54.914 54.840 -0.005 0.000 0.831 181 L CB 2.178 44.219 42.059 -0.030 0.000 1.273 181 L HN 0.813 nan 8.230 nan 0.000 0.405 182 T N 2.751 117.315 114.554 0.017 0.000 2.841 182 T HA 0.811 5.162 4.350 0.000 0.000 0.296 182 T C -0.439 174.304 174.700 0.072 0.000 1.166 182 T CA -0.603 61.535 62.100 0.063 0.000 1.007 182 T CB 1.540 70.467 68.868 0.098 0.000 1.253 182 T HN 0.879 nan 8.240 nan 0.000 0.511 183 I N -1.676 118.963 120.570 0.115 0.000 2.969 183 I HA 0.906 5.077 4.170 0.000 0.000 0.307 183 I C -0.836 175.390 176.117 0.182 0.000 1.149 183 I CA -1.833 59.563 61.300 0.160 0.000 1.008 183 I CB 1.928 40.041 38.000 0.188 0.000 1.232 183 I HN 0.952 nan 8.210 nan 0.000 0.435 184 A N 2.838 125.771 122.820 0.189 0.000 2.276 184 A HA 0.817 5.137 4.320 0.000 0.000 0.316 184 A C 0.074 177.747 177.584 0.149 0.000 1.229 184 A CA -0.169 51.963 52.037 0.158 0.000 0.851 184 A CB 0.553 19.613 19.000 0.100 0.000 1.165 184 A HN 1.097 nan 8.150 nan 0.000 0.513 185 G N 0.568 109.470 108.800 0.171 0.000 2.471 185 G HA2 0.646 4.606 3.960 0.000 0.000 0.332 185 G HA3 0.646 4.606 3.960 0.000 0.000 0.332 185 G C 0.213 175.291 174.900 0.296 0.000 1.176 185 G CA -0.088 45.183 45.100 0.285 0.000 0.949 185 G HN 1.408 nan 8.290 nan 0.000 0.488 186 A N -0.693 122.360 122.820 0.388 0.000 2.531 186 A HA 0.497 4.817 4.320 0.000 0.000 0.236 186 A C 1.346 178.983 177.584 0.089 0.000 1.062 186 A CA 0.668 52.766 52.037 0.102 0.000 0.760 186 A CB 0.371 19.229 19.000 -0.237 0.000 0.995 186 A HN 1.525 nan 8.150 nan 0.000 0.501 187 G N 0.971 109.774 108.800 0.005 0.000 3.324 187 G HA2 0.479 4.439 3.960 0.000 0.000 0.251 187 G HA3 0.479 4.439 3.960 0.000 0.000 0.251 187 G C 0.398 175.293 174.900 -0.008 0.000 1.072 187 G CA 0.619 45.703 45.100 -0.028 0.000 0.787 187 G HN 1.253 nan 8.290 nan 0.000 0.537 188 G N -1.451 107.349 108.800 -0.000 0.000 2.563 188 G HA2 0.540 4.501 3.960 0.000 0.000 0.302 188 G HA3 0.540 4.501 3.960 0.000 0.000 0.302 188 G C 0.741 175.571 174.900 -0.117 0.000 1.301 188 G CA 0.299 45.390 45.100 -0.016 0.000 0.965 188 G HN 0.293 nan 8.290 nan 0.000 0.480 189 A N 0.717 123.411 122.820 -0.209 0.000 1.972 189 A HA 0.080 4.400 4.320 0.000 0.000 0.219 189 A C 1.920 179.204 177.584 -0.499 0.000 1.169 189 A CA 1.529 53.304 52.037 -0.437 0.000 0.635 189 A CB -0.544 18.157 19.000 -0.499 0.000 0.810 189 A HN 0.578 nan 8.150 nan 0.000 0.446 190 F N -1.132 118.679 119.950 -0.231 0.000 2.046 190 F HA -0.135 4.392 4.527 0.000 0.000 0.297 190 F C 2.075 177.616 175.800 -0.432 0.000 1.123 190 F CA 1.638 59.427 58.000 -0.352 0.000 1.199 190 F CB -1.005 37.733 39.000 -0.437 0.000 0.972 190 F HN 0.221 nan 8.300 nan 0.000 0.474 191 F N -0.693 119.163 119.950 -0.156 0.000 2.206 191 F HA -0.082 4.445 4.527 0.000 0.000 0.298 191 F C 2.203 177.683 175.800 -0.533 0.000 1.090 191 F CA 0.553 58.315 58.000 -0.397 0.000 1.323 191 F CB -1.052 37.491 39.000 -0.761 0.000 1.028 191 F HN -0.101 nan 8.300 nan 0.000 0.492 192 L N 0.396 121.401 121.223 -0.363 0.000 2.127 192 L HA -0.190 4.150 4.340 0.000 0.000 0.211 192 L C 2.525 178.993 176.870 -0.670 0.000 1.089 192 L CA 1.969 56.434 54.840 -0.625 0.000 0.757 192 L CB -1.158 40.621 42.059 -0.467 0.000 0.899 192 L HN 0.193 nan 8.230 nan 0.000 0.434 193 S N -1.059 114.351 115.700 -0.484 0.000 2.442 193 S HA -0.217 4.254 4.470 0.000 0.000 0.236 193 S C 2.050 176.482 174.600 -0.280 0.000 1.007 193 S CA 0.895 58.858 58.200 -0.395 0.000 0.965 193 S CB -0.640 62.355 63.200 -0.342 0.000 0.773 193 S HN 0.573 nan 8.310 nan 0.000 0.504 194 R N 0.290 120.631 120.500 -0.265 0.000 2.096 194 R HA -0.069 4.272 4.340 0.000 0.000 0.235 194 R C 1.613 177.883 176.300 -0.050 0.000 1.127 194 R CA 1.837 57.871 56.100 -0.110 0.000 0.968 194 R CB -0.342 29.968 30.300 0.016 0.000 0.861 194 R HN 0.907 nan 8.270 nan 0.000 0.440 195 Y N -5.308 114.949 120.300 -0.072 0.000 2.610 195 Y HA 0.232 4.783 4.550 0.000 0.000 0.254 195 Y C 1.327 177.215 175.900 -0.020 0.000 1.110 195 Y CA -1.235 56.830 58.100 -0.057 0.000 1.238 195 Y CB -0.667 37.744 38.460 -0.082 0.000 1.322 195 Y HN -0.142 nan 8.280 nan 0.000 0.547 196 Y N 2.884 122.921 120.300 -0.438 0.000 2.102 196 Y HA -0.326 4.224 4.550 0.000 0.000 0.280 196 Y C 2.691 178.488 175.900 -0.172 0.000 1.178 196 Y CA 2.469 60.354 58.100 -0.358 0.000 1.146 196 Y CB -0.573 37.619 38.460 -0.447 0.000 0.968 196 Y HN 0.364 nan 8.280 nan 0.000 0.504 197 S N -0.815 114.772 115.700 -0.188 0.000 2.440 197 S HA -0.180 4.290 4.470 0.000 0.000 0.238 197 S C 1.383 175.886 174.600 -0.163 0.000 1.010 197 S CA 1.499 59.559 58.200 -0.232 0.000 0.972 197 S CB -0.387 62.722 63.200 -0.153 0.000 0.774 197 S HN 0.546 nan 8.310 nan 0.000 0.501 198 K N 0.250 120.605 120.400 -0.075 0.000 2.618 198 K HA 0.442 4.762 4.320 0.000 0.000 0.207 198 K C 0.981 177.596 176.600 0.025 0.000 1.058 198 K CA -0.204 56.077 56.287 -0.009 0.000 1.086 198 K CB 0.157 32.684 32.500 0.044 0.000 0.827 198 K HN 0.226 nan 8.250 nan 0.000 0.481 199 L N 0.725 121.927 121.223 -0.036 0.000 2.043 199 L HA -0.275 4.065 4.340 0.000 0.000 0.212 199 L C 2.334 179.230 176.870 0.043 0.000 1.075 199 L CA 1.691 56.552 54.840 0.035 0.000 0.752 199 L CB -0.320 41.683 42.059 -0.093 0.000 0.891 199 L HN 0.373 nan 8.230 nan 0.000 0.432 200 A N -0.705 122.115 122.820 -0.000 0.000 1.908 200 A HA -0.282 4.039 4.320 0.000 0.000 0.218 200 A C 2.086 179.684 177.584 0.023 0.000 1.181 200 A CA 1.775 53.823 52.037 0.018 0.000 0.627 200 A CB -0.484 18.521 19.000 0.009 0.000 0.818 200 A HN 0.565 nan 8.150 nan 0.000 0.445 201 Q N -0.707 119.105 119.800 0.021 0.000 2.119 201 Q HA -0.057 4.283 4.340 0.000 0.000 0.201 201 Q C 2.022 178.027 176.000 0.008 0.000 0.972 201 Q CA 1.371 57.182 55.803 0.015 0.000 0.847 201 Q CB -0.291 28.458 28.738 0.019 0.000 0.903 201 Q HN 0.736 nan 8.270 nan 0.000 0.433 202 I N -0.017 120.574 120.570 0.035 0.000 2.315 202 I HA -0.227 3.943 4.170 0.000 0.000 0.248 202 I C 2.006 178.125 176.117 0.004 0.000 1.117 202 I CA 0.832 62.144 61.300 0.020 0.000 1.404 202 I CB -0.002 38.071 38.000 0.120 0.000 1.071 202 I HN 0.032 nan 8.210 nan 0.000 0.419 203 V N 0.593 120.533 119.914 0.043 0.000 2.788 203 V HA -0.097 4.023 4.120 0.000 0.000 0.251 203 V C 2.606 178.704 176.094 0.007 0.000 1.068 203 V CA 1.263 63.589 62.300 0.043 0.000 1.090 203 V CB -0.566 31.307 31.823 0.082 0.000 0.710 203 V HN 0.431 nan 8.190 nan 0.000 0.467 204 A N 1.665 124.485 122.820 -0.001 0.000 1.903 204 A HA -0.176 4.144 4.320 0.000 0.000 0.219 204 A C 0.727 178.293 177.584 -0.029 0.000 1.191 204 A CA 2.424 54.454 52.037 -0.013 0.000 0.638 204 A CB -1.873 17.121 19.000 -0.010 0.000 0.823 204 A HN 0.599 nan 8.150 nan 0.000 0.451 205 P HA 0.167 nan 4.420 nan 0.000 0.249 205 P C -0.001 177.267 177.300 -0.053 0.000 1.229 205 P CA 0.338 63.409 63.100 -0.049 0.000 0.788 205 P CB -0.088 31.575 31.700 -0.063 0.000 1.072 206 L N -0.078 121.115 121.223 -0.050 0.000 2.360 206 L HA 0.317 4.657 4.340 0.000 0.000 0.271 206 L C 1.396 178.207 176.870 -0.099 0.000 1.057 206 L CA -0.614 54.196 54.840 -0.049 0.000 0.803 206 L CB 0.799 42.850 42.059 -0.013 0.000 1.207 206 L HN -0.269 nan 8.230 nan 0.000 0.445 207 D N 0.036 120.353 120.400 -0.139 0.000 2.240 207 D HA 0.033 4.673 4.640 0.000 0.000 0.206 207 D C -0.656 175.243 176.300 -0.668 0.000 0.963 207 D CA 1.481 55.252 54.000 -0.382 0.000 0.863 207 D CB 0.509 41.118 40.800 -0.318 0.000 0.973 207 D HN 0.305 nan 8.370 nan 0.000 0.501 208 Y N -0.755 119.538 120.300 -0.012 0.000 2.592 208 Y HA 0.360 4.910 4.550 0.000 0.000 0.334 208 Y C -0.828 175.077 175.900 0.008 0.000 1.136 208 Y CA -0.953 57.138 58.100 -0.014 0.000 1.042 208 Y CB 1.754 40.177 38.460 -0.060 0.000 1.325 208 Y HN -0.296 nan 8.280 nan 0.000 0.457 209 I N 3.165 123.857 120.570 0.203 0.000 2.355 209 I HA 0.473 4.643 4.170 0.000 0.000 0.288 209 I C -1.204 174.984 176.117 0.117 0.000 0.999 209 I CA -0.591 60.800 61.300 0.152 0.000 1.163 209 I CB 0.584 38.677 38.000 0.155 0.000 1.316 209 I HN 0.567 nan 8.210 nan 0.000 0.454 210 N N 8.850 127.621 118.700 0.119 0.000 2.437 210 N HA 0.310 5.050 4.740 0.000 0.000 0.243 210 N C -0.777 174.769 175.510 0.060 0.000 1.041 210 N CA -0.200 52.908 53.050 0.096 0.000 0.940 210 N CB 1.317 39.911 38.487 0.179 0.000 1.133 210 N HN 0.576 nan 8.380 nan 0.000 0.506 211 L N 2.146 123.364 121.223 -0.009 0.000 2.360 211 L HA 0.250 4.591 4.340 0.000 0.000 0.276 211 L C 1.168 177.960 176.870 -0.130 0.000 1.121 211 L CA 0.006 54.800 54.840 -0.076 0.000 0.845 211 L CB 0.397 42.355 42.059 -0.169 0.000 1.143 211 L HN 0.331 nan 8.230 nan 0.000 0.452 212 M N 3.406 122.879 119.600 -0.211 0.000 3.586 212 M HA 0.060 4.540 4.480 0.000 0.000 0.225 212 M C 0.362 176.218 176.300 -0.740 0.000 1.428 212 M CA -0.167 54.753 55.300 -0.632 0.000 1.613 212 M CB -0.526 31.800 32.600 -0.457 0.000 1.063 212 M HN 0.561 nan 8.290 nan 0.000 0.593 213 T N -0.009 114.258 114.554 -0.477 0.000 4.475 213 T HA 0.287 4.637 4.350 0.000 0.000 0.254 213 T C -0.526 174.132 174.700 -0.070 0.000 1.160 213 T CA -0.220 61.750 62.100 -0.216 0.000 1.091 213 T CB -1.072 67.751 68.868 -0.076 0.000 1.377 213 T HN 0.526 nan 8.240 nan 0.000 1.057 214 Y N -2.702 117.660 120.300 0.104 0.000 2.871 214 Y HA 0.530 5.080 4.550 0.000 0.000 0.331 214 Y C -0.265 175.739 175.900 0.174 0.000 1.378 214 Y CA -1.881 56.292 58.100 0.121 0.000 1.079 214 Y CB -0.183 38.346 38.460 0.115 0.000 1.441 214 Y HN 0.131 nan 8.280 nan 0.000 0.446 215 D N -0.055 120.664 120.400 0.530 0.000 2.911 215 D HA -0.166 4.474 4.640 0.000 0.000 0.227 215 D C 0.517 177.075 176.300 0.431 0.000 1.164 215 D CA 1.271 55.585 54.000 0.524 0.000 0.782 215 D CB -1.021 40.077 40.800 0.497 0.000 1.094 215 D HN 0.704 nan 8.370 nan 0.000 0.425 216 L N -1.523 119.866 121.223 0.278 0.000 2.599 216 L HA 0.286 4.626 4.340 0.000 0.000 0.230 216 L C 1.153 178.111 176.870 0.146 0.000 1.141 216 L CA 0.737 55.673 54.840 0.160 0.000 0.877 216 L CB -0.070 42.026 42.059 0.063 0.000 1.009 216 L HN 0.199 nan 8.230 nan 0.000 0.447 217 A N -0.633 122.301 122.820 0.190 0.000 2.587 217 A HA 0.852 5.172 4.320 0.000 0.000 0.293 217 A C -0.412 177.042 177.584 -0.217 0.000 1.087 217 A CA 0.037 52.111 52.037 0.062 0.000 0.692 217 A CB 1.774 20.856 19.000 0.137 0.000 1.291 217 A HN 0.079 nan 8.150 nan 0.000 0.407 218 G N -0.250 108.193 108.800 -0.596 0.000 2.338 218 G HA2 0.527 4.487 3.960 0.000 0.000 0.295 218 G HA3 0.527 4.487 3.960 0.000 0.000 0.295 218 G C -2.737 171.488 174.900 -1.125 0.000 1.461 218 G CA 0.001 44.281 45.100 -1.367 0.000 0.817 218 G HN 0.421 nan 8.290 nan 0.000 0.556 219 P HA -0.086 nan 4.420 nan 0.000 0.222 219 P C 1.294 178.602 177.300 0.012 0.000 1.142 219 P CA 1.553 64.384 63.100 -0.447 0.000 0.788 219 P CB -0.092 31.423 31.700 -0.308 0.000 0.767 220 W N -0.247 121.118 121.300 0.109 0.000 3.077 220 W HA 0.244 4.904 4.660 0.000 0.000 0.245 220 W C 0.194 176.800 176.519 0.145 0.000 1.316 220 W CA -0.212 57.198 57.345 0.108 0.000 1.537 220 W CB -0.821 28.664 29.460 0.040 0.000 1.131 220 W HN -0.224 nan 8.180 nan 0.000 0.695 221 E N 1.181 121.381 120.200 0.000 0.000 2.202 221 E HA 0.163 4.513 4.350 0.000 0.000 0.272 221 E C 0.649 177.408 176.600 0.265 0.000 0.951 221 E CA -0.525 55.959 56.400 0.139 0.000 0.813 221 E CB 1.715 31.462 29.700 0.078 0.000 1.151 221 E HN 0.129 nan 8.360 nan 0.000 0.398 222 K N 0.056 120.561 120.400 0.175 0.000 2.296 222 K HA 0.078 4.399 4.320 0.000 0.000 0.200 222 K C 0.440 177.115 176.600 0.125 0.000 1.048 222 K CA 0.501 56.852 56.287 0.106 0.000 0.966 222 K CB 0.379 32.883 32.500 0.006 0.000 0.754 222 K HN 0.119 nan 8.250 nan 0.000 0.466 223 V N 2.490 122.466 119.914 0.104 0.000 2.417 223 V HA 0.078 4.198 4.120 0.000 0.000 0.291 223 V C 0.259 176.296 176.094 -0.095 0.000 1.024 223 V CA -1.093 61.217 62.300 0.015 0.000 0.861 223 V CB 1.393 33.186 31.823 -0.050 0.000 0.985 223 V HN 0.278 nan 8.190 nan 0.000 0.436 224 T N 2.039 116.390 114.554 -0.338 0.000 2.932 224 T HA 0.378 4.728 4.350 0.000 0.000 0.312 224 T C -0.193 174.127 174.700 -0.634 0.000 1.071 224 T CA -0.117 61.422 62.100 -0.936 0.000 1.128 224 T CB 0.811 68.843 68.868 -1.394 0.000 0.984 224 T HN 0.759 nan 8.240 nan 0.000 0.549 225 N N -0.610 117.766 118.700 -0.541 0.000 3.046 225 N HA 0.171 4.911 4.740 0.000 0.000 0.243 225 N C -1.715 173.740 175.510 -0.092 0.000 1.452 225 N CA -0.736 52.200 53.050 -0.190 0.000 0.882 225 N CB 1.037 39.564 38.487 0.067 0.000 1.425 225 N HN 0.708 nan 8.380 nan 0.000 0.517 226 H N 1.318 120.474 119.070 0.144 0.000 2.803 226 H HA 0.072 4.628 4.556 0.000 0.000 0.330 226 H C 0.403 175.802 175.328 0.119 0.000 1.057 226 H CA 0.374 56.496 56.048 0.123 0.000 1.458 226 H CB 1.140 30.924 29.762 0.036 0.000 1.470 226 H HN 0.578 nan 8.280 nan 0.000 0.560 227 Q N 1.959 121.888 119.800 0.215 0.000 2.472 227 Q HA 0.193 4.534 4.340 0.000 0.000 0.208 227 Q C 0.401 176.514 176.000 0.188 0.000 0.958 227 Q CA 0.831 56.757 55.803 0.204 0.000 0.932 227 Q CB 0.724 29.597 28.738 0.225 0.000 1.007 227 Q HN 0.509 nan 8.270 nan 0.000 0.508 228 A N 0.385 123.299 122.820 0.156 0.000 3.165 228 A HA 0.661 4.982 4.320 0.000 0.000 0.212 228 A C -0.072 177.529 177.584 0.027 0.000 0.935 228 A CA -0.244 51.860 52.037 0.111 0.000 1.100 228 A CB 0.091 19.186 19.000 0.158 0.000 1.260 228 A HN 0.365 nan 8.150 nan 0.000 0.532 229 A N -0.013 122.819 122.820 0.020 0.000 2.540 229 A HA 0.386 4.706 4.320 0.000 0.000 0.239 229 A C 1.185 178.676 177.584 -0.154 0.000 1.061 229 A CA 0.362 52.348 52.037 -0.084 0.000 0.758 229 A CB 0.095 19.081 19.000 -0.023 0.000 0.991 229 A HN 1.398 nan 8.150 nan 0.000 0.502 230 L N 2.638 123.698 121.223 -0.272 0.000 2.068 230 L HA 0.285 4.626 4.340 0.000 0.000 0.204 230 L C 0.102 176.582 176.870 -0.651 0.000 1.076 230 L CA 1.697 56.220 54.840 -0.528 0.000 0.753 230 L CB -0.445 41.217 42.059 -0.661 0.000 0.910 230 L HN 0.601 nan 8.230 nan 0.000 0.439 231 F N -1.138 118.751 119.950 -0.101 0.000 2.618 231 F HA 0.660 5.188 4.527 0.000 0.000 0.332 231 F C 0.935 176.713 175.800 -0.038 0.000 1.061 231 F CA -0.929 57.045 58.000 -0.043 0.000 0.974 231 F CB 0.514 39.500 39.000 -0.024 0.000 1.310 231 F HN -0.108 nan 8.300 nan 0.000 0.491 232 G N -0.301 108.633 108.800 0.224 0.000 2.476 232 G HA2 0.412 4.372 3.960 0.000 0.000 0.286 232 G HA3 0.412 4.372 3.960 0.000 0.000 0.286 232 G C -1.689 173.245 174.900 0.056 0.000 1.177 232 G CA -0.217 44.947 45.100 0.106 0.000 0.870 232 G HN 0.500 nan 8.290 nan 0.000 0.528 233 D N 0.347 120.750 120.400 0.005 0.000 2.408 233 D HA 0.464 5.104 4.640 0.000 0.000 0.243 233 D C 1.145 177.390 176.300 -0.093 0.000 1.075 233 D CA -0.134 53.854 54.000 -0.020 0.000 0.832 233 D CB 1.665 42.486 40.800 0.034 0.000 1.162 233 D HN 0.307 nan 8.370 nan 0.000 0.515 234 A N 3.653 126.435 122.820 -0.064 0.000 1.986 234 A HA -0.099 4.222 4.320 0.000 0.000 0.220 234 A C 1.929 179.423 177.584 -0.151 0.000 1.171 234 A CA 2.041 54.028 52.037 -0.083 0.000 0.640 234 A CB -0.484 18.488 19.000 -0.046 0.000 0.811 234 A HN 0.638 nan 8.150 nan 0.000 0.451 235 A N -0.642 122.078 122.820 -0.166 0.000 2.167 235 A HA 0.423 4.743 4.320 0.000 0.000 0.214 235 A C 1.431 178.606 177.584 -0.681 0.000 1.151 235 A CA 0.888 52.787 52.037 -0.229 0.000 0.735 235 A CB -0.824 18.168 19.000 -0.013 0.000 0.802 235 A HN 0.727 nan 8.150 nan 0.000 0.467 236 G N 0.213 108.430 108.800 -0.973 0.000 2.528 236 G HA2 0.481 4.442 3.960 0.000 0.000 0.289 236 G HA3 0.481 4.442 3.960 0.000 0.000 0.289 236 G C -2.412 172.093 174.900 -0.659 0.000 1.192 236 G CA -1.301 42.885 45.100 -1.523 0.000 0.921 236 G HN 0.187 nan 8.290 nan 0.000 0.512 237 P HA 0.213 nan 4.420 nan 0.000 0.272 237 P C -0.065 177.044 177.300 -0.319 0.000 1.223 237 P CA 0.038 62.923 63.100 -0.358 0.000 0.784 237 P CB 1.128 32.629 31.700 -0.332 0.000 0.923 238 T N -1.354 112.956 114.554 -0.407 0.000 2.930 238 T HA 0.754 5.104 4.350 0.000 0.000 0.290 238 T C -0.676 173.702 174.700 -0.536 0.000 1.052 238 T CA -0.535 61.400 62.100 -0.275 0.000 1.017 238 T CB 0.943 69.738 68.868 -0.122 0.000 1.137 238 T HN 0.189 nan 8.240 nan 0.000 0.511 239 F N -0.451 119.438 119.950 -0.101 0.000 2.603 239 F HA 0.516 5.044 4.527 0.000 0.000 0.317 239 F C -0.449 175.518 175.800 0.280 0.000 1.066 239 F CA -1.576 56.476 58.000 0.088 0.000 0.941 239 F CB 1.212 40.266 39.000 0.090 0.000 1.291 239 F HN 0.727 nan 8.300 nan 0.000 0.472 240 Y N 2.401 122.951 120.300 0.417 0.000 2.526 240 Y HA 0.104 4.654 4.550 0.000 0.000 0.330 240 Y C 0.345 176.404 175.900 0.266 0.000 1.156 240 Y CA -0.419 57.862 58.100 0.302 0.000 1.419 240 Y CB 0.265 38.905 38.460 0.300 0.000 1.250 240 Y HN 0.493 nan 8.280 nan 0.000 0.540 241 N N 5.266 124.131 118.700 0.275 0.000 2.555 241 N HA 0.141 4.881 4.740 0.000 0.000 0.244 241 N C 0.483 175.953 175.510 -0.067 0.000 1.114 241 N CA 0.585 53.642 53.050 0.011 0.000 0.963 241 N CB 0.797 39.124 38.487 -0.267 0.000 1.276 241 N HN 0.886 nan 8.380 nan 0.000 0.510 242 A N 4.338 127.068 122.820 -0.150 0.000 2.131 242 A HA -0.108 4.212 4.320 0.000 0.000 0.220 242 A C 2.073 179.432 177.584 -0.376 0.000 1.158 242 A CA 0.808 52.746 52.037 -0.164 0.000 0.665 242 A CB -0.294 18.501 19.000 -0.340 0.000 0.795 242 A HN 0.753 nan 8.150 nan 0.000 0.460 243 L N -1.233 119.571 121.223 -0.698 0.000 2.265 243 L HA -0.166 4.174 4.340 0.000 0.000 0.215 243 L C 2.575 178.847 176.870 -0.997 0.000 1.117 243 L CA 1.019 55.196 54.840 -1.106 0.000 0.782 243 L CB -0.484 40.455 42.059 -1.866 0.000 0.914 243 L HN 0.393 nan 8.230 nan 0.000 0.441 244 R N -0.026 120.120 120.500 -0.590 0.000 2.241 244 R HA -0.109 4.231 4.340 0.000 0.000 0.224 244 R C 1.293 177.538 176.300 -0.092 0.000 1.101 244 R CA 0.669 56.680 56.100 -0.150 0.000 0.995 244 R CB -0.009 30.249 30.300 -0.069 0.000 0.870 244 R HN 0.332 nan 8.270 nan 0.000 0.463 245 E N -0.049 120.078 120.200 -0.122 0.000 2.481 245 E HA 0.148 4.499 4.350 0.000 0.000 0.198 245 E C -0.019 176.513 176.600 -0.114 0.000 1.027 245 E CA -0.040 56.324 56.400 -0.059 0.000 0.900 245 E CB 0.699 30.399 29.700 0.000 0.000 0.993 245 E HN 0.197 nan 8.360 nan 0.000 0.482 246 A N 1.829 124.531 122.820 -0.197 0.000 2.371 246 A HA 0.134 4.454 4.320 0.000 0.000 0.257 246 A C 0.488 177.972 177.584 -0.168 0.000 1.089 246 A CA -0.403 51.523 52.037 -0.185 0.000 0.794 246 A CB 0.040 18.914 19.000 -0.210 0.000 1.029 246 A HN -0.001 nan 8.150 nan 0.000 0.488 247 N N 2.096 120.717 118.700 -0.133 0.000 2.744 247 N HA 0.145 4.885 4.740 0.000 0.000 0.290 247 N C 0.298 175.697 175.510 -0.185 0.000 1.206 247 N CA 0.219 53.199 53.050 -0.118 0.000 1.119 247 N CB -0.574 37.873 38.487 -0.068 0.000 1.449 247 N HN 0.611 nan 8.380 nan 0.000 0.514 248 L N 0.738 121.773 121.223 -0.315 0.000 2.463 248 L HA 0.296 4.636 4.340 0.000 0.000 0.219 248 L C 1.415 178.066 176.870 -0.365 0.000 1.088 248 L CA 0.295 54.786 54.840 -0.581 0.000 0.849 248 L CB -0.138 41.098 42.059 -1.370 0.000 1.012 248 L HN 0.590 nan 8.230 nan 0.000 0.468 249 G N -0.471 108.242 108.800 -0.145 0.000 2.198 249 G HA2 -0.230 3.730 3.960 0.000 0.000 0.257 249 G HA3 -0.230 3.730 3.960 0.000 0.000 0.257 249 G C -0.419 174.650 174.900 0.282 0.000 1.042 249 G CA -0.279 44.861 45.100 0.067 0.000 0.791 249 G HN 0.117 nan 8.290 nan 0.000 0.502 250 W N 0.467 121.809 121.300 0.070 0.000 2.497 250 W HA 0.761 5.422 4.660 0.000 0.000 0.359 250 W C 1.061 177.628 176.519 0.080 0.000 1.131 250 W CA -1.098 56.283 57.345 0.060 0.000 1.280 250 W CB 0.825 30.309 29.460 0.040 0.000 1.319 250 W HN 0.564 nan 8.180 nan 0.000 0.626 251 S N 0.091 115.986 115.700 0.325 0.000 2.617 251 S HA 0.005 4.475 4.470 0.000 0.000 0.259 251 S C 0.675 175.454 174.600 0.298 0.000 1.301 251 S CA -0.284 58.081 58.200 0.273 0.000 0.984 251 S CB 0.764 64.100 63.200 0.228 0.000 0.954 251 S HN 0.592 nan 8.310 nan 0.000 0.572 252 W N 1.142 122.518 121.300 0.126 0.000 2.338 252 W HA -0.073 4.587 4.660 0.000 0.000 0.304 252 W C 2.159 178.729 176.519 0.084 0.000 1.212 252 W CA 1.708 59.115 57.345 0.105 0.000 1.264 252 W CB -0.143 29.367 29.460 0.083 0.000 1.142 252 W HN 0.785 nan 8.180 nan 0.000 0.512 253 E N 0.402 120.872 120.200 0.451 0.000 2.077 253 E HA -0.223 4.128 4.350 0.000 0.000 0.193 253 E C 1.852 178.457 176.600 0.009 0.000 0.989 253 E CA 1.834 58.391 56.400 0.261 0.000 0.800 253 E CB -0.573 29.273 29.700 0.244 0.000 0.746 253 E HN 0.575 nan 8.360 nan 0.000 0.452 254 E N 0.629 120.841 120.200 0.019 0.000 2.072 254 E HA -0.116 4.235 4.350 0.000 0.000 0.191 254 E C 2.382 178.932 176.600 -0.084 0.000 0.985 254 E CA 0.622 56.963 56.400 -0.098 0.000 0.801 254 E CB -0.109 29.516 29.700 -0.126 0.000 0.750 254 E HN 0.179 nan 8.360 nan 0.000 0.452 255 L N 0.686 121.937 121.223 0.046 0.000 2.017 255 L HA -0.173 4.167 4.340 0.000 0.000 0.208 255 L C 2.601 179.352 176.870 -0.197 0.000 1.073 255 L CA 1.308 56.178 54.840 0.050 0.000 0.745 255 L CB -0.655 41.452 42.059 0.080 0.000 0.894 255 L HN 0.172 nan 8.230 nan 0.000 0.432 256 T N -0.821 113.492 114.554 -0.402 0.000 2.746 256 T HA -0.190 4.161 4.350 0.000 0.000 0.267 256 T C 2.065 176.576 174.700 -0.314 0.000 1.039 256 T CA 1.261 63.068 62.100 -0.488 0.000 1.142 256 T CB -0.162 68.192 68.868 -0.855 0.000 0.866 256 T HN 0.258 nan 8.240 nan 0.000 0.444 257 R N 0.605 120.940 120.500 -0.276 0.000 2.090 257 R HA 0.141 4.482 4.340 0.000 0.000 0.228 257 R C 2.766 178.876 176.300 -0.317 0.000 1.110 257 R CA 1.115 57.069 56.100 -0.244 0.000 0.973 257 R CB -0.319 29.859 30.300 -0.203 0.000 0.869 257 R HN 0.352 nan 8.270 nan 0.000 0.440 258 A N 0.431 122.972 122.820 -0.466 0.000 1.968 258 A HA -0.029 4.291 4.320 0.000 0.000 0.217 258 A C 0.258 177.432 177.584 -0.683 0.000 1.169 258 A CA 0.855 52.484 52.037 -0.680 0.000 0.638 258 A CB 0.116 18.507 19.000 -1.014 0.000 0.812 258 A HN 0.160 nan 8.150 nan 0.000 0.446 259 F N 0.003 119.901 119.950 -0.087 0.000 2.453 259 F HA 0.401 4.928 4.527 0.000 0.000 0.358 259 F C -2.789 172.867 175.800 -0.239 0.000 1.129 259 F CA -3.793 54.109 58.000 -0.163 0.000 1.200 259 F CB 0.315 39.206 39.000 -0.182 0.000 1.431 259 F HN -0.096 nan 8.300 nan 0.000 0.503 260 P HA 0.079 nan 4.420 nan 0.000 0.264 260 P C -0.099 177.180 177.300 -0.036 0.000 1.183 260 P CA 0.301 63.314 63.100 -0.145 0.000 0.763 260 P CB 0.948 32.506 31.700 -0.237 0.000 0.807 261 S N 2.211 117.905 115.700 -0.010 0.000 2.562 261 S HA 0.506 4.976 4.470 0.000 0.000 0.274 261 S C -2.754 171.860 174.600 0.024 0.000 1.160 261 S CA -1.141 57.088 58.200 0.048 0.000 0.933 261 S CB 0.547 63.698 63.200 -0.083 0.000 1.100 261 S HN 0.261 nan 8.310 nan 0.000 0.468 262 P HA 0.495 nan 4.420 nan 0.000 0.272 262 P C -0.872 176.599 177.300 0.285 0.000 1.240 262 P CA -0.226 62.979 63.100 0.175 0.000 0.791 262 P CB 0.192 31.940 31.700 0.080 0.000 0.978 263 F N -2.228 117.790 119.950 0.113 0.000 2.664 263 F HA 0.594 5.121 4.527 0.000 0.000 0.317 263 F C -0.899 175.026 175.800 0.208 0.000 1.108 263 F CA -1.339 56.748 58.000 0.146 0.000 0.957 263 F CB 0.665 39.788 39.000 0.205 0.000 1.365 263 F HN 0.121 nan 8.300 nan 0.000 0.475 264 S N 2.167 117.884 115.700 0.028 0.000 2.465 264 S HA 0.401 4.871 4.470 0.000 0.000 0.279 264 S C -0.558 173.885 174.600 -0.261 0.000 1.201 264 S CA -0.417 57.733 58.200 -0.083 0.000 1.053 264 S CB 0.718 63.958 63.200 0.067 0.000 0.953 264 S HN 0.641 nan 8.310 nan 0.000 0.488 265 L N 5.886 126.887 121.223 -0.370 0.000 2.433 265 L HA 0.285 4.626 4.340 0.000 0.000 0.284 265 L C 0.618 177.435 176.870 -0.087 0.000 1.120 265 L CA 0.660 55.282 54.840 -0.364 0.000 0.879 265 L CB -0.739 41.006 42.059 -0.524 0.000 1.232 265 L HN 0.826 nan 8.230 nan 0.000 0.454 266 T N 0.050 114.604 114.554 0.001 0.000 2.864 266 T HA 0.429 4.780 4.350 0.000 0.000 0.289 266 T C 1.021 175.700 174.700 -0.034 0.000 1.082 266 T CA -0.491 61.607 62.100 -0.004 0.000 1.009 266 T CB 0.980 69.862 68.868 0.023 0.000 1.234 266 T HN -0.026 nan 8.240 nan 0.000 0.526 267 V N 0.762 120.613 119.914 -0.106 0.000 2.358 267 V HA -0.069 4.051 4.120 0.000 0.000 0.246 267 V C 2.518 178.510 176.094 -0.171 0.000 1.047 267 V CA 2.445 64.659 62.300 -0.142 0.000 1.035 267 V CB -1.011 30.688 31.823 -0.208 0.000 0.658 267 V HN 1.096 nan 8.190 nan 0.000 0.452 268 D N 0.438 120.678 120.400 -0.266 0.000 2.144 268 D HA -0.153 4.487 4.640 0.000 0.000 0.199 268 D C 2.070 178.417 176.300 0.079 0.000 0.984 268 D CA 1.474 55.402 54.000 -0.120 0.000 0.834 268 D CB -0.106 40.674 40.800 -0.034 0.000 0.955 268 D HN 0.369 nan 8.370 nan 0.000 0.465 269 A N 0.590 123.430 122.820 0.034 0.000 1.877 269 A HA 0.036 4.356 4.320 0.000 0.000 0.216 269 A C 2.444 179.869 177.584 -0.266 0.000 1.186 269 A CA 2.242 54.167 52.037 -0.186 0.000 0.620 269 A CB -1.263 17.777 19.000 0.068 0.000 0.822 269 A HN 0.351 nan 8.150 nan 0.000 0.443 270 A N -0.656 122.120 122.820 -0.073 0.000 1.877 270 A HA -0.018 4.302 4.320 0.000 0.000 0.216 270 A C 2.260 179.932 177.584 0.148 0.000 1.186 270 A CA 1.872 53.921 52.037 0.020 0.000 0.620 270 A CB -1.011 18.002 19.000 0.022 0.000 0.822 270 A HN 0.397 nan 8.150 nan 0.000 0.443 271 V N -0.009 119.968 119.914 0.104 0.000 2.295 271 V HA -0.262 3.859 4.120 0.000 0.000 0.246 271 V C 2.771 179.000 176.094 0.224 0.000 1.049 271 V CA 2.108 64.515 62.300 0.178 0.000 1.024 271 V CB -0.728 31.268 31.823 0.288 0.000 0.648 271 V HN 0.538 nan 8.190 nan 0.000 0.447 272 Q N -0.294 119.619 119.800 0.189 0.000 2.124 272 Q HA -0.223 4.117 4.340 0.000 0.000 0.202 272 Q C 2.242 178.347 176.000 0.175 0.000 0.977 272 Q CA 1.607 57.536 55.803 0.209 0.000 0.850 272 Q CB -0.456 28.461 28.738 0.299 0.000 0.901 272 Q HN 0.712 nan 8.270 nan 0.000 0.429 273 Q N -0.693 119.121 119.800 0.024 0.000 2.124 273 Q HA -0.181 4.159 4.340 0.000 0.000 0.202 273 Q C 1.830 177.972 176.000 0.237 0.000 0.977 273 Q CA 1.383 57.219 55.803 0.054 0.000 0.850 273 Q CB -0.149 28.442 28.738 -0.244 0.000 0.901 273 Q HN 0.554 nan 8.270 nan 0.000 0.429 274 H N -0.168 119.010 119.070 0.181 0.000 2.363 274 H HA -0.010 4.546 4.556 0.000 0.000 0.301 274 H C 1.804 177.233 175.328 0.169 0.000 1.074 274 H CA 1.036 57.207 56.048 0.205 0.000 1.354 274 H CB 0.017 29.872 29.762 0.155 0.000 1.397 274 H HN 0.102 nan 8.280 nan 0.000 0.516 275 L N -0.309 121.078 121.223 0.273 0.000 2.201 275 L HA -0.154 4.186 4.340 0.000 0.000 0.212 275 L C 2.167 179.136 176.870 0.166 0.000 1.105 275 L CA 0.695 55.650 54.840 0.191 0.000 0.775 275 L CB -0.296 41.862 42.059 0.166 0.000 0.913 275 L HN 0.365 nan 8.230 nan 0.000 0.440 276 M N -1.156 118.567 119.600 0.204 0.000 2.080 276 M HA -0.168 4.312 4.480 0.000 0.000 0.260 276 M C 0.831 177.225 176.300 0.156 0.000 1.068 276 M CA 1.265 56.681 55.300 0.193 0.000 1.109 276 M CB -0.201 32.573 32.600 0.290 0.000 1.342 276 M HN 0.150 nan 8.290 nan 0.000 0.405 277 M N 1.675 121.368 119.600 0.155 0.000 2.268 277 M HA 0.043 4.524 4.480 0.000 0.000 0.349 277 M C 0.194 176.531 176.300 0.062 0.000 1.485 277 M CA 0.349 55.697 55.300 0.080 0.000 1.094 277 M CB -0.162 32.405 32.600 -0.055 0.000 1.843 277 M HN 0.158 nan 8.290 nan 0.000 0.460 278 E N 1.210 121.444 120.200 0.055 0.000 2.413 278 E HA 0.222 4.573 4.350 0.000 0.000 0.263 278 E C 1.035 177.656 176.600 0.035 0.000 1.015 278 E CA 0.951 57.376 56.400 0.042 0.000 0.916 278 E CB 0.447 30.170 29.700 0.039 0.000 0.947 278 E HN 0.913 nan 8.360 nan 0.000 0.440 279 G N 2.476 111.296 108.800 0.033 0.000 2.176 279 G HA2 -0.238 3.722 3.960 0.000 0.000 0.253 279 G HA3 -0.238 3.722 3.960 0.000 0.000 0.253 279 G C -0.092 174.830 174.900 0.038 0.000 0.979 279 G CA 0.122 45.240 45.100 0.029 0.000 0.641 279 G HN 0.477 nan 8.290 nan 0.000 0.530 280 V N 3.388 123.334 119.914 0.054 0.000 2.275 280 V HA 0.412 4.533 4.120 0.000 0.000 0.272 280 V C -1.441 174.701 176.094 0.079 0.000 1.028 280 V CA -1.361 60.986 62.300 0.078 0.000 0.810 280 V CB 1.400 33.290 31.823 0.113 0.000 1.043 280 V HN 0.293 nan 8.190 nan 0.000 0.453 281 P HA 0.118 nan 4.420 nan 0.000 0.271 281 P C 1.086 178.426 177.300 0.067 0.000 1.220 281 P CA 0.070 63.201 63.100 0.051 0.000 0.768 281 P CB 1.466 33.183 31.700 0.029 0.000 0.848 282 S N 3.145 118.883 115.700 0.063 0.000 2.383 282 S HA -0.214 4.257 4.470 0.000 0.000 0.229 282 S C 1.926 176.569 174.600 0.072 0.000 1.030 282 S CA 1.082 59.324 58.200 0.069 0.000 1.002 282 S CB -1.231 61.999 63.200 0.051 0.000 0.829 282 S HN 0.518 nan 8.310 nan 0.000 0.467 283 A N 1.774 124.630 122.820 0.060 0.000 2.070 283 A HA -0.013 4.308 4.320 0.000 0.000 0.220 283 A C 2.195 179.848 177.584 0.116 0.000 1.159 283 A CA 1.374 53.454 52.037 0.072 0.000 0.656 283 A CB -0.449 18.576 19.000 0.041 0.000 0.800 283 A HN 0.639 nan 8.150 nan 0.000 0.453 284 K N -0.769 119.687 120.400 0.092 0.000 2.400 284 K HA 0.243 4.563 4.320 0.000 0.000 0.194 284 K C -0.179 176.545 176.600 0.207 0.000 1.033 284 K CA 0.016 56.375 56.287 0.121 0.000 1.021 284 K CB 0.150 32.672 32.500 0.036 0.000 0.808 284 K HN 0.460 nan 8.250 nan 0.000 0.505 285 I N 2.251 122.907 120.570 0.144 0.000 2.471 285 I HA 0.030 4.200 4.170 0.000 0.000 0.286 285 I C -0.311 175.859 176.117 0.088 0.000 1.079 285 I CA -0.369 60.991 61.300 0.101 0.000 1.398 285 I CB 1.094 39.138 38.000 0.073 0.000 1.403 285 I HN -0.269 nan 8.210 nan 0.000 0.530 286 V N 7.647 127.591 119.914 0.051 0.000 2.409 286 V HA 0.287 4.407 4.120 0.000 0.000 0.291 286 V C 0.116 176.225 176.094 0.024 0.000 1.020 286 V CA -0.647 61.654 62.300 0.003 0.000 0.848 286 V CB 1.736 33.508 31.823 -0.086 0.000 0.990 286 V HN 0.706 nan 8.190 nan 0.000 0.430 287 M N 4.452 124.088 119.600 0.059 0.000 2.146 287 M HA 0.498 4.979 4.480 0.000 0.000 0.352 287 M C 0.560 176.926 176.300 0.109 0.000 1.343 287 M CA -0.044 55.304 55.300 0.080 0.000 1.115 287 M CB 0.496 33.175 32.600 0.131 0.000 1.657 287 M HN 0.796 nan 8.290 nan 0.000 0.471 288 G N 4.066 112.933 108.800 0.111 0.000 2.476 288 G HA2 0.546 4.506 3.960 0.000 0.000 0.269 288 G HA3 0.546 4.506 3.960 0.000 0.000 0.269 288 G C -0.867 174.247 174.900 0.358 0.000 1.195 288 G CA -0.551 44.701 45.100 0.253 0.000 0.843 288 G HN 0.830 nan 8.290 nan 0.000 0.545 289 V N -0.805 119.373 119.914 0.440 0.000 2.925 289 V HA 0.861 4.981 4.120 0.000 0.000 0.311 289 V C -2.723 173.583 176.094 0.353 0.000 1.104 289 V CA -2.675 59.864 62.300 0.397 0.000 0.954 289 V CB 2.620 34.521 31.823 0.130 0.000 1.022 289 V HN 0.658 nan 8.190 nan 0.000 0.427 290 P HA 0.440 nan 4.420 nan 0.000 0.294 290 P C -0.839 176.600 177.300 0.230 0.000 1.294 290 P CA -0.244 62.715 63.100 -0.235 0.000 0.827 290 P CB 1.418 32.637 31.700 -0.801 0.000 0.992 291 F N 2.505 122.459 119.950 0.006 0.000 2.730 291 F HA 0.248 4.775 4.527 0.000 0.000 0.295 291 F C 0.321 176.212 175.800 0.153 0.000 1.143 291 F CA -0.553 57.493 58.000 0.076 0.000 1.367 291 F CB -0.605 38.421 39.000 0.044 0.000 0.970 291 F HN 0.249 nan 8.300 nan 0.000 0.514 292 Y N -2.680 117.777 120.300 0.262 0.000 2.615 292 Y HA 0.862 5.412 4.550 0.000 0.000 0.341 292 Y C -0.195 175.814 175.900 0.181 0.000 1.089 292 Y CA -2.158 56.048 58.100 0.177 0.000 1.049 292 Y CB 0.930 39.476 38.460 0.143 0.000 1.296 292 Y HN -0.110 nan 8.280 nan 0.000 0.470 293 G N 0.905 109.864 108.800 0.266 0.000 2.537 293 G HA2 0.736 4.697 3.960 0.000 0.000 0.308 293 G HA3 0.736 4.697 3.960 0.000 0.000 0.308 293 G C -1.619 173.420 174.900 0.231 0.000 1.237 293 G CA -1.581 43.639 45.100 0.199 0.000 0.968 293 G HN 0.665 nan 8.290 nan 0.000 0.481 294 R N -0.401 120.209 120.500 0.184 0.000 2.599 294 R HA 0.670 5.010 4.340 0.000 0.000 0.295 294 R C -0.536 175.824 176.300 0.100 0.000 0.963 294 R CA -0.568 55.596 56.100 0.107 0.000 0.883 294 R CB 2.271 32.620 30.300 0.082 0.000 1.171 294 R HN 0.645 nan 8.270 nan 0.000 0.450 295 A N 2.965 125.797 122.820 0.020 0.000 2.340 295 A HA 0.823 5.143 4.320 0.000 0.000 0.331 295 A C -1.231 176.465 177.584 0.187 0.000 1.140 295 A CA -0.499 51.673 52.037 0.226 0.000 0.801 295 A CB 0.753 19.899 19.000 0.244 0.000 1.234 295 A HN 0.535 nan 8.150 nan 0.000 0.469 296 F N 0.487 120.589 119.950 0.253 0.000 2.565 296 F HA 0.580 5.108 4.527 0.000 0.000 0.313 296 F C 0.376 176.110 175.800 -0.111 0.000 1.091 296 F CA -0.622 57.406 58.000 0.046 0.000 0.915 296 F CB 2.407 41.372 39.000 -0.058 0.000 1.208 296 F HN 0.695 nan 8.300 nan 0.000 0.453 297 K N -0.301 119.925 120.400 -0.289 0.000 2.295 297 K HA 0.821 5.142 4.320 0.000 0.000 0.239 297 K C 0.376 176.886 176.600 -0.150 0.000 0.991 297 K CA -0.700 55.312 56.287 -0.459 0.000 0.845 297 K CB 2.011 33.759 32.500 -1.254 0.000 1.197 297 K HN 0.937 nan 8.250 nan 0.000 0.441 298 G N 0.080 108.821 108.800 -0.098 0.000 2.160 298 G HA2 -0.232 3.729 3.960 0.000 0.000 0.244 298 G HA3 -0.232 3.729 3.960 0.000 0.000 0.244 298 G C -0.051 174.875 174.900 0.044 0.000 1.022 298 G CA 0.074 45.158 45.100 -0.025 0.000 0.741 298 G HN 1.002 nan 8.290 nan 0.000 0.508 299 V N -1.701 118.265 119.914 0.087 0.000 2.607 299 V HA 0.840 4.961 4.120 0.000 0.000 0.289 299 V C 0.775 176.920 176.094 0.085 0.000 1.053 299 V CA -0.041 62.306 62.300 0.078 0.000 0.996 299 V CB 1.551 33.426 31.823 0.085 0.000 0.995 299 V HN 0.483 nan 8.190 nan 0.000 0.476 300 S N 2.837 118.549 115.700 0.021 0.000 2.614 300 S HA 0.623 5.094 4.470 0.000 0.000 0.265 300 S C 0.606 175.225 174.600 0.033 0.000 1.303 300 S CA 0.148 58.363 58.200 0.024 0.000 1.000 300 S CB 1.218 64.407 63.200 -0.017 0.000 0.935 300 S HN 1.374 nan 8.310 nan 0.000 0.551 301 G N -0.875 107.961 108.800 0.060 0.000 2.537 301 G HA2 0.537 4.498 3.960 0.000 0.000 0.297 301 G HA3 0.537 4.498 3.960 0.000 0.000 0.297 301 G C 0.905 175.777 174.900 -0.047 0.000 1.310 301 G CA -0.129 45.004 45.100 0.054 0.000 1.027 301 G HN 1.328 nan 8.290 nan 0.000 0.505 302 G N -0.761 108.001 108.800 -0.064 0.000 2.345 302 G HA2 -0.274 3.686 3.960 0.000 0.000 0.218 302 G HA3 -0.274 3.686 3.960 0.000 0.000 0.218 302 G C 0.692 175.531 174.900 -0.101 0.000 1.058 302 G CA 0.599 45.664 45.100 -0.059 0.000 0.632 302 G HN 0.904 nan 8.290 nan 0.000 0.508 303 N N 0.651 119.240 118.700 -0.185 0.000 2.480 303 N HA 0.433 5.173 4.740 0.000 0.000 0.281 303 N C 1.293 176.641 175.510 -0.270 0.000 1.381 303 N CA 0.611 53.549 53.050 -0.186 0.000 0.903 303 N CB -0.142 38.231 38.487 -0.190 0.000 1.274 303 N HN 1.292 nan 8.380 nan 0.000 0.505 304 G N 0.325 108.887 108.800 -0.397 0.000 2.233 304 G HA2 -0.312 3.648 3.960 0.000 0.000 0.270 304 G HA3 -0.312 3.648 3.960 0.000 0.000 0.270 304 G C 0.925 175.474 174.900 -0.584 0.000 1.011 304 G CA 0.488 45.262 45.100 -0.543 0.000 0.762 304 G HN 0.815 nan 8.290 nan 0.000 0.511 305 G N -2.021 106.378 108.800 -0.668 0.000 2.176 305 G HA2 -0.258 3.702 3.960 0.000 0.000 0.253 305 G HA3 -0.258 3.702 3.960 0.000 0.000 0.253 305 G C 0.335 174.721 174.900 -0.857 0.000 0.979 305 G CA 0.905 45.773 45.100 -0.387 0.000 0.641 305 G HN 1.163 nan 8.290 nan 0.000 0.530 306 Q N -0.636 118.598 119.800 -0.944 0.000 2.332 306 Q HA 0.461 4.801 4.340 0.000 0.000 0.263 306 Q C 0.418 175.763 176.000 -1.091 0.000 0.979 306 Q CA -0.443 54.483 55.803 -1.463 0.000 0.885 306 Q CB 0.305 28.056 28.738 -1.645 0.000 1.218 306 Q HN 0.649 nan 8.270 nan 0.000 0.405 307 Y N -1.217 118.693 120.300 -0.649 0.000 3.389 307 Y HA -0.262 4.288 4.550 0.000 0.000 0.213 307 Y C -0.015 175.688 175.900 -0.328 0.000 1.272 307 Y CA 0.664 58.519 58.100 -0.409 0.000 1.444 307 Y CB -2.332 35.960 38.460 -0.280 0.000 1.445 307 Y HN 0.488 nan 8.280 nan 0.000 0.583 308 S N -0.261 115.263 115.700 -0.295 0.000 2.607 308 S HA 0.821 5.292 4.470 0.000 0.000 0.303 308 S C 0.377 174.916 174.600 -0.102 0.000 1.086 308 S CA -0.120 57.968 58.200 -0.187 0.000 0.995 308 S CB 1.336 64.409 63.200 -0.212 0.000 1.084 308 S HN 0.612 nan 8.310 nan 0.000 0.507 309 S N 1.414 117.079 115.700 -0.058 0.000 2.600 309 S HA 0.573 5.043 4.470 0.000 0.000 0.265 309 S C -0.305 174.304 174.600 0.015 0.000 1.325 309 S CA -0.098 58.073 58.200 -0.048 0.000 1.002 309 S CB 0.085 63.238 63.200 -0.077 0.000 0.921 309 S HN 1.093 nan 8.310 nan 0.000 0.554 310 H N -2.417 116.640 119.070 -0.022 0.000 2.960 310 H HA 0.671 5.227 4.556 0.000 0.000 0.323 310 H C -0.686 174.645 175.328 0.005 0.000 1.326 310 H CA -0.497 55.554 56.048 0.004 0.000 1.124 310 H CB 0.861 30.678 29.762 0.092 0.000 1.853 310 H HN 0.561 nan 8.280 nan 0.000 0.536 311 S N -0.437 115.294 115.700 0.052 0.000 2.661 311 S HA 0.258 4.728 4.470 0.000 0.000 0.245 311 S C -0.626 174.020 174.600 0.078 0.000 1.117 311 S CA -0.476 57.715 58.200 -0.015 0.000 1.091 311 S CB -0.709 62.459 63.200 -0.054 0.000 0.887 311 S HN 0.653 nan 8.310 nan 0.000 0.491 312 T N 4.549 119.317 114.554 0.356 0.000 2.780 312 T HA 0.435 4.785 4.350 0.000 0.000 0.294 312 T C -2.661 172.214 174.700 0.292 0.000 0.949 312 T CA -1.179 61.096 62.100 0.291 0.000 1.074 312 T CB 0.745 69.749 68.868 0.226 0.000 0.910 312 T HN 0.188 nan 8.240 nan 0.000 0.501 313 P HA 0.212 nan 4.420 nan 0.000 0.266 313 P C 0.855 178.313 177.300 0.264 0.000 1.195 313 P CA -0.094 63.156 63.100 0.249 0.000 0.768 313 P CB 0.448 32.303 31.700 0.258 0.000 0.838 314 G N 1.245 110.179 108.800 0.223 0.000 3.044 314 G HA2 0.034 3.994 3.960 0.000 0.000 0.223 314 G HA3 0.034 3.994 3.960 0.000 0.000 0.223 314 G C 0.006 175.045 174.900 0.232 0.000 1.123 314 G CA -0.030 45.223 45.100 0.256 0.000 0.765 314 G HN 0.417 nan 8.290 nan 0.000 0.546 315 E N 0.646 120.956 120.200 0.182 0.000 2.390 315 E HA 0.468 4.818 4.350 0.000 0.000 0.261 315 E C -1.132 175.563 176.600 0.159 0.000 1.076 315 E CA -0.010 56.476 56.400 0.143 0.000 0.905 315 E CB 1.086 30.846 29.700 0.099 0.000 0.984 315 E HN -0.003 nan 8.360 nan 0.000 0.427 316 D N 1.412 121.890 120.400 0.130 0.000 2.593 316 D HA 0.310 4.950 4.640 0.000 0.000 0.251 316 D C -2.179 174.193 176.300 0.121 0.000 1.140 316 D CA -1.360 52.719 54.000 0.133 0.000 0.855 316 D CB 0.901 41.770 40.800 0.115 0.000 1.267 316 D HN 0.272 nan 8.370 nan 0.000 0.532 317 P HA 0.132 nan 4.420 nan 0.000 0.275 317 P C -0.623 176.780 177.300 0.172 0.000 1.266 317 P CA -0.516 62.669 63.100 0.142 0.000 0.793 317 P CB 0.377 32.151 31.700 0.124 0.000 1.074 318 Y N 2.658 123.006 120.300 0.080 0.000 2.729 318 Y HA 0.026 4.576 4.550 0.000 0.000 0.331 318 Y C -0.960 174.991 175.900 0.085 0.000 1.208 318 Y CA -1.587 56.568 58.100 0.092 0.000 1.521 318 Y CB 0.022 38.540 38.460 0.097 0.000 1.233 318 Y HN 0.283 nan 8.280 nan 0.000 0.539 319 P HA -0.060 nan 4.420 nan 0.000 0.222 319 P C 0.301 177.370 177.300 -0.385 0.000 1.153 319 P CA 0.612 63.541 63.100 -0.285 0.000 0.798 319 P CB 0.444 32.037 31.700 -0.179 0.000 0.796 320 S N -0.389 114.838 115.700 -0.789 0.000 2.730 320 S HA 0.358 4.828 4.470 0.000 0.000 0.284 320 S C 1.082 175.504 174.600 -0.297 0.000 1.153 320 S CA 0.087 57.992 58.200 -0.492 0.000 0.995 320 S CB 0.785 63.736 63.200 -0.414 0.000 1.058 320 S HN 0.181 nan 8.310 nan 0.000 0.552 321 T N -1.040 113.375 114.554 -0.231 0.000 3.044 321 T HA 0.218 4.568 4.350 0.000 0.000 0.260 321 T C -0.050 174.254 174.700 -0.661 0.000 1.019 321 T CA -0.222 61.672 62.100 -0.342 0.000 0.921 321 T CB -0.224 68.547 68.868 -0.161 0.000 1.053 321 T HN 0.495 nan 8.240 nan 0.000 0.533 322 D N 1.609 121.796 120.400 -0.354 0.000 2.336 322 D HA 0.117 4.757 4.640 0.000 0.000 0.249 322 D C -1.258 174.886 176.300 -0.259 0.000 1.213 322 D CA -0.536 53.346 54.000 -0.198 0.000 0.870 322 D CB 0.053 40.908 40.800 0.091 0.000 1.076 322 D HN 0.292 nan 8.370 nan 0.000 0.483 323 Y N 4.912 125.230 120.300 0.031 0.000 2.700 323 Y HA 0.183 4.733 4.550 0.000 0.000 0.333 323 Y C 0.671 176.479 175.900 -0.153 0.000 1.036 323 Y CA -1.141 56.835 58.100 -0.207 0.000 1.287 323 Y CB 0.164 38.515 38.460 -0.181 0.000 1.132 323 Y HN 0.534 nan 8.280 nan 0.000 0.510 324 W N 1.688 123.038 121.300 0.083 0.000 3.256 324 W HA 0.250 4.911 4.660 0.000 0.000 0.269 324 W C -0.720 175.788 176.519 -0.018 0.000 1.310 324 W CA -0.417 56.940 57.345 0.021 0.000 1.673 324 W CB 0.134 29.610 29.460 0.027 0.000 1.115 324 W HN 0.332 nan 8.180 nan 0.000 0.686 325 L N 3.145 124.301 121.223 -0.113 0.000 2.334 325 L HA 0.263 4.603 4.340 0.000 0.000 0.286 325 L C 0.295 177.145 176.870 -0.033 0.000 1.108 325 L CA -0.788 54.048 54.840 -0.005 0.000 0.875 325 L CB 0.446 42.340 42.059 -0.275 0.000 1.246 325 L HN -0.206 nan 8.230 nan 0.000 0.439 326 V N 6.360 126.279 119.914 0.008 0.000 2.583 326 V HA 0.180 4.300 4.120 0.000 0.000 0.302 326 V C 1.582 177.491 176.094 -0.308 0.000 1.033 326 V CA 1.353 63.568 62.300 -0.141 0.000 1.194 326 V CB -0.178 31.495 31.823 -0.250 0.000 0.879 326 V HN 1.084 nan 8.190 nan 0.000 0.482 327 G N 3.246 111.722 108.800 -0.540 0.000 2.199 327 G HA2 -0.297 3.663 3.960 0.000 0.000 0.254 327 G HA3 -0.297 3.663 3.960 0.000 0.000 0.254 327 G C 0.564 175.257 174.900 -0.346 0.000 0.982 327 G CA 0.052 44.677 45.100 -0.792 0.000 0.632 327 G HN 0.985 nan 8.290 nan 0.000 0.529 328 C N 2.066 121.211 119.300 -0.258 0.000 2.210 328 C HA 0.582 5.042 4.460 0.000 0.000 0.377 328 C C 1.801 176.672 174.990 -0.197 0.000 1.037 328 C CA 0.167 59.054 59.018 -0.219 0.000 1.405 328 C CB -1.259 26.338 27.740 -0.238 0.000 1.802 328 C HN 0.547 nan 8.230 nan 0.000 0.495 329 E N 1.054 121.162 120.200 -0.153 0.000 2.208 329 E HA -0.176 4.174 4.350 0.000 0.000 0.193 329 E C 2.018 178.523 176.600 -0.158 0.000 0.988 329 E CA 0.811 57.131 56.400 -0.135 0.000 0.828 329 E CB 0.112 29.765 29.700 -0.080 0.000 0.763 329 E HN 0.863 nan 8.360 nan 0.000 0.478 330 E N 0.461 120.573 120.200 -0.147 0.000 2.077 330 E HA -0.207 4.143 4.350 0.000 0.000 0.193 330 E C 1.896 178.376 176.600 -0.200 0.000 0.989 330 E CA 1.252 57.570 56.400 -0.137 0.000 0.800 330 E CB -0.013 29.622 29.700 -0.107 0.000 0.746 330 E HN 0.261 nan 8.360 nan 0.000 0.452 331 C N 0.178 119.323 119.300 -0.258 0.000 2.425 331 C HA -0.087 4.373 4.460 0.000 0.000 0.277 331 C C 2.655 177.309 174.990 -0.561 0.000 1.280 331 C CA 0.508 59.308 59.018 -0.363 0.000 1.744 331 C CB -0.769 26.734 27.740 -0.394 0.000 1.989 331 C HN 0.349 nan 8.230 nan 0.000 0.491 332 V N 0.724 120.297 119.914 -0.568 0.000 2.323 332 V HA -0.175 3.945 4.120 0.000 0.000 0.244 332 V C 2.608 178.398 176.094 -0.507 0.000 1.041 332 V CA 1.708 63.525 62.300 -0.805 0.000 1.025 332 V CB -0.656 30.926 31.823 -0.401 0.000 0.656 332 V HN 0.481 nan 8.190 nan 0.000 0.451 333 R N 0.248 120.576 120.500 -0.287 0.000 2.083 333 R HA -0.150 4.190 4.340 0.000 0.000 0.237 333 R C 1.751 177.956 176.300 -0.159 0.000 1.137 333 R CA 1.726 57.724 56.100 -0.171 0.000 0.951 333 R CB -0.362 29.871 30.300 -0.112 0.000 0.851 333 R HN 0.514 nan 8.270 nan 0.000 0.434 334 D N 0.259 120.550 120.400 -0.183 0.000 2.340 334 D HA 0.013 4.654 4.640 0.000 0.000 0.220 334 D C -0.003 176.214 176.300 -0.140 0.000 1.039 334 D CA 0.275 54.199 54.000 -0.126 0.000 0.866 334 D CB 0.242 40.985 40.800 -0.095 0.000 0.913 334 D HN 0.097 nan 8.370 nan 0.000 0.523 335 K N 0.862 121.102 120.400 -0.267 0.000 3.096 335 K HA -0.173 4.147 4.320 0.000 0.000 0.266 335 K C -0.556 176.028 176.600 -0.027 0.000 1.043 335 K CA 0.546 56.728 56.287 -0.175 0.000 0.758 335 K CB -1.020 31.526 32.500 0.078 0.000 1.260 335 K HN 0.111 nan 8.250 nan 0.000 0.481 336 D N -0.607 119.636 120.400 -0.262 0.000 2.452 336 D HA 0.110 4.750 4.640 0.000 0.000 0.226 336 D C -2.176 173.799 176.300 -0.543 0.000 1.366 336 D CA -1.530 52.249 54.000 -0.368 0.000 0.986 336 D CB 1.488 42.178 40.800 -0.184 0.000 1.420 336 D HN -0.147 nan 8.370 nan 0.000 0.583 337 P HA 0.074 nan 4.420 nan 0.000 0.245 337 P C 0.699 177.472 177.300 -0.878 0.000 1.212 337 P CA 0.080 62.582 63.100 -0.997 0.000 0.774 337 P CB 0.454 31.168 31.700 -1.644 0.000 0.999 338 R N -0.740 119.432 120.500 -0.547 0.000 2.317 338 R HA 0.280 4.621 4.340 0.000 0.000 0.208 338 R C 0.892 177.107 176.300 -0.141 0.000 0.914 338 R CA 0.177 56.139 56.100 -0.230 0.000 1.060 338 R CB 0.289 30.526 30.300 -0.105 0.000 1.015 338 R HN 0.217 nan 8.270 nan 0.000 0.498 339 I N -0.185 120.292 120.570 -0.156 0.000 2.752 339 I HA 0.571 4.742 4.170 0.000 0.000 0.295 339 I C -1.921 174.154 176.117 -0.070 0.000 1.219 339 I CA -0.856 60.414 61.300 -0.049 0.000 1.030 339 I CB 2.230 40.211 38.000 -0.032 0.000 1.259 339 I HN -0.061 nan 8.210 nan 0.000 0.423 340 A N 4.787 127.609 122.820 0.003 0.000 2.517 340 A HA 0.642 4.962 4.320 0.000 0.000 0.297 340 A C -0.454 177.158 177.584 0.047 0.000 1.050 340 A CA -0.258 51.756 52.037 -0.039 0.000 0.694 340 A CB 1.419 20.338 19.000 -0.135 0.000 1.277 340 A HN 0.907 nan 8.150 nan 0.000 0.400 341 S N 1.233 116.952 115.700 0.032 0.000 2.576 341 S HA 0.190 4.660 4.470 0.000 0.000 0.272 341 S C 0.889 175.509 174.600 0.033 0.000 1.352 341 S CA 0.434 58.685 58.200 0.084 0.000 1.021 341 S CB 0.106 63.326 63.200 0.033 0.000 0.887 341 S HN 1.300 nan 8.310 nan 0.000 0.542 342 Y N 2.442 122.735 120.300 -0.011 0.000 2.165 342 Y HA -0.169 4.381 4.550 0.000 0.000 0.286 342 Y C 2.685 178.525 175.900 -0.100 0.000 1.155 342 Y CA 2.103 60.154 58.100 -0.081 0.000 1.164 342 Y CB -0.382 37.996 38.460 -0.137 0.000 0.978 342 Y HN 0.850 nan 8.280 nan 0.000 0.513 343 R N -0.043 120.390 120.500 -0.111 0.000 2.096 343 R HA -0.295 4.045 4.340 0.000 0.000 0.240 343 R C 2.372 178.539 176.300 -0.220 0.000 1.139 343 R CA 2.170 58.185 56.100 -0.142 0.000 0.952 343 R CB -0.391 29.925 30.300 0.027 0.000 0.854 343 R HN 0.425 nan 8.270 nan 0.000 0.436 344 Q N 0.574 120.268 119.800 -0.177 0.000 2.079 344 Q HA -0.066 4.274 4.340 0.000 0.000 0.200 344 Q C 2.074 177.909 176.000 -0.275 0.000 0.974 344 Q CA 1.627 57.322 55.803 -0.181 0.000 0.840 344 Q CB -0.234 28.417 28.738 -0.145 0.000 0.898 344 Q HN 0.486 nan 8.270 nan 0.000 0.430 345 L N 0.309 121.308 121.223 -0.373 0.000 2.083 345 L HA -0.167 4.174 4.340 0.000 0.000 0.209 345 L C 2.517 179.074 176.870 -0.522 0.000 1.083 345 L CA 1.757 56.296 54.840 -0.503 0.000 0.752 345 L CB -0.509 41.172 42.059 -0.630 0.000 0.899 345 L HN 0.417 nan 8.230 nan 0.000 0.433 346 E N 0.010 119.831 120.200 -0.631 0.000 2.106 346 E HA -0.253 4.097 4.350 0.000 0.000 0.192 346 E C 2.202 178.648 176.600 -0.256 0.000 0.984 346 E CA 1.043 57.137 56.400 -0.509 0.000 0.806 346 E CB 0.107 29.419 29.700 -0.647 0.000 0.750 346 E HN 0.496 nan 8.360 nan 0.000 0.458 347 Q N -0.220 119.454 119.800 -0.211 0.000 2.079 347 Q HA -0.139 4.201 4.340 0.000 0.000 0.200 347 Q C 2.163 178.163 176.000 -0.001 0.000 0.974 347 Q CA 1.761 57.513 55.803 -0.085 0.000 0.840 347 Q CB -0.010 28.691 28.738 -0.063 0.000 0.898 347 Q HN 0.339 nan 8.270 nan 0.000 0.430 348 M N -0.140 119.431 119.600 -0.048 0.000 2.159 348 M HA -0.176 4.305 4.480 0.000 0.000 0.263 348 M C 1.848 178.251 176.300 0.173 0.000 1.063 348 M CA 1.269 56.624 55.300 0.092 0.000 1.110 348 M CB -0.083 32.398 32.600 -0.199 0.000 1.374 348 M HN 0.206 nan 8.290 nan 0.000 0.411 349 L N -0.548 120.660 121.223 -0.024 0.000 2.275 349 L HA -0.206 4.134 4.340 0.000 0.000 0.215 349 L C 2.263 179.154 176.870 0.034 0.000 1.119 349 L CA 1.147 55.995 54.840 0.014 0.000 0.790 349 L CB -0.386 41.634 42.059 -0.066 0.000 0.919 349 L HN 0.416 nan 8.230 nan 0.000 0.443 350 Q N -0.854 118.953 119.800 0.012 0.000 2.302 350 Q HA -0.000 4.340 4.340 0.000 0.000 0.202 350 Q C 2.021 178.000 176.000 -0.035 0.000 0.936 350 Q CA 0.801 56.597 55.803 -0.011 0.000 0.886 350 Q CB -0.006 28.718 28.738 -0.023 0.000 0.986 350 Q HN 0.498 nan 8.270 nan 0.000 0.487 351 G N 1.257 110.051 108.800 -0.009 0.000 2.882 351 G HA2 -0.173 3.787 3.960 0.000 0.000 0.206 351 G HA3 -0.173 3.787 3.960 0.000 0.000 0.206 351 G C 0.199 174.738 174.900 -0.602 0.000 1.155 351 G CA -0.016 44.921 45.100 -0.272 0.000 0.800 351 G HN 0.412 nan 8.290 nan 0.000 0.524 352 N N -1.130 117.420 118.700 -0.250 0.000 2.667 352 N HA -0.243 4.497 4.740 0.000 0.000 0.263 352 N C -0.104 175.240 175.510 -0.277 0.000 1.038 352 N CA 0.369 53.299 53.050 -0.199 0.000 0.749 352 N CB -1.439 36.938 38.487 -0.182 0.000 0.892 352 N HN 0.447 nan 8.380 nan 0.000 0.546 353 Y N -0.693 119.642 120.300 0.059 0.000 2.467 353 Y HA 0.363 4.914 4.550 0.000 0.000 0.250 353 Y C 1.965 177.799 175.900 -0.111 0.000 1.155 353 Y CA 0.336 58.454 58.100 0.031 0.000 1.249 353 Y CB 0.413 38.953 38.460 0.132 0.000 1.146 353 Y HN 0.436 nan 8.280 nan 0.000 0.524 354 G N -0.969 107.802 108.800 -0.048 0.000 2.141 354 G HA2 -0.298 3.662 3.960 0.000 0.000 0.231 354 G HA3 -0.298 3.662 3.960 0.000 0.000 0.231 354 G C -0.356 174.284 174.900 -0.433 0.000 0.984 354 G CA -0.547 44.373 45.100 -0.300 0.000 0.660 354 G HN 0.246 nan 8.290 nan 0.000 0.525 355 Y N 1.136 121.414 120.300 -0.036 0.000 2.319 355 Y HA 0.524 5.074 4.550 0.000 0.000 0.328 355 Y C 1.087 176.977 175.900 -0.016 0.000 1.133 355 Y CA -0.060 58.040 58.100 0.000 0.000 1.265 355 Y CB 0.891 39.401 38.460 0.084 0.000 1.218 355 Y HN 0.252 nan 8.280 nan 0.000 0.508 356 Q N 3.280 123.177 119.800 0.160 0.000 2.314 356 Q HA 0.329 4.670 4.340 0.000 0.000 0.259 356 Q C -0.306 175.760 176.000 0.110 0.000 0.951 356 Q CA -1.006 54.864 55.803 0.112 0.000 0.909 356 Q CB 1.733 30.541 28.738 0.118 0.000 1.236 356 Q HN 0.378 nan 8.270 nan 0.000 0.444 357 R N 4.281 124.827 120.500 0.076 0.000 2.210 357 R HA 0.323 4.663 4.340 0.000 0.000 0.338 357 R C -1.171 175.123 176.300 -0.010 0.000 1.062 357 R CA 0.030 56.171 56.100 0.068 0.000 0.902 357 R CB -0.129 30.234 30.300 0.106 0.000 1.050 357 R HN 0.659 nan 8.270 nan 0.000 0.461 358 L N 3.400 124.500 121.223 -0.205 0.000 2.335 358 L HA 0.608 4.948 4.340 0.000 0.000 0.268 358 L C -0.225 176.533 176.870 -0.186 0.000 1.016 358 L CA -0.968 53.651 54.840 -0.369 0.000 0.805 358 L CB 1.756 43.263 42.059 -0.920 0.000 1.311 358 L HN 0.507 nan 8.230 nan 0.000 0.456 359 W N 1.713 122.910 121.300 -0.171 0.000 3.097 359 W HA 0.291 4.951 4.660 0.000 0.000 0.335 359 W C -1.585 175.059 176.519 0.209 0.000 1.114 359 W CA -0.594 56.782 57.345 0.053 0.000 1.231 359 W CB 1.903 31.368 29.460 0.008 0.000 1.388 359 W HN 0.449 nan 8.180 nan 0.000 0.485 360 N N 4.640 123.109 118.700 -0.385 0.000 2.457 360 N HA 0.011 4.751 4.740 0.000 0.000 0.250 360 N C 0.671 175.795 175.510 -0.644 0.000 0.982 360 N CA 0.112 52.964 53.050 -0.331 0.000 0.941 360 N CB 1.043 39.289 38.487 -0.402 0.000 1.120 360 N HN 0.462 nan 8.380 nan 0.000 0.505 361 D N 2.970 123.266 120.400 -0.173 0.000 2.371 361 D HA -0.091 4.550 4.640 0.000 0.000 0.221 361 D C 0.720 176.980 176.300 -0.066 0.000 0.986 361 D CA 0.696 54.706 54.000 0.017 0.000 0.899 361 D CB 0.601 41.396 40.800 -0.008 0.000 0.902 361 D HN 0.403 nan 8.370 nan 0.000 0.530 362 K N 0.446 120.776 120.400 -0.118 0.000 2.121 362 K HA 0.002 4.323 4.320 0.000 0.000 0.203 362 K C 2.313 178.869 176.600 -0.073 0.000 1.041 362 K CA 1.389 57.642 56.287 -0.056 0.000 0.969 362 K CB -0.417 32.068 32.500 -0.024 0.000 0.799 362 K HN 0.307 nan 8.250 nan 0.000 0.456 363 T N -0.553 113.865 114.554 -0.227 0.000 3.055 363 T HA 0.010 4.360 4.350 0.000 0.000 0.265 363 T C 0.504 174.960 174.700 -0.407 0.000 1.111 363 T CA 0.292 62.220 62.100 -0.287 0.000 1.118 363 T CB -0.002 68.585 68.868 -0.469 0.000 0.909 363 T HN -0.001 nan 8.240 nan 0.000 0.501 364 K N 2.072 122.119 120.400 -0.588 0.000 3.125 364 K HA -0.115 4.205 4.320 0.000 0.000 0.268 364 K C 0.017 176.036 176.600 -0.968 0.000 1.078 364 K CA 1.272 57.096 56.287 -0.772 0.000 0.775 364 K CB -2.779 29.401 32.500 -0.533 0.000 1.253 364 K HN 0.912 nan 8.250 nan 0.000 0.486 365 T N -2.447 111.340 114.554 -1.278 0.000 2.903 365 T HA 0.710 5.060 4.350 0.000 0.000 0.299 365 T C -2.916 171.311 174.700 -0.788 0.000 1.093 365 T CA -1.801 59.781 62.100 -0.863 0.000 1.002 365 T CB 3.749 72.356 68.868 -0.435 0.000 1.127 365 T HN -0.159 nan 8.240 nan 0.000 0.488 366 P HA 0.527 nan 4.420 nan 0.000 0.280 366 P C -1.623 175.738 177.300 0.102 0.000 1.272 366 P CA -0.476 62.612 63.100 -0.020 0.000 0.819 366 P CB 0.602 32.230 31.700 -0.120 0.000 1.122 367 Y N -2.091 118.282 120.300 0.123 0.000 2.592 367 Y HA 0.607 5.157 4.550 0.000 0.000 0.334 367 Y C -1.748 174.286 175.900 0.223 0.000 1.136 367 Y CA -1.458 56.723 58.100 0.135 0.000 1.042 367 Y CB 0.554 39.012 38.460 -0.004 0.000 1.325 367 Y HN 0.097 nan 8.280 nan 0.000 0.457 368 L N 3.216 124.547 121.223 0.181 0.000 2.317 368 L HA 0.514 4.854 4.340 0.000 0.000 0.281 368 L C -1.367 175.703 176.870 0.333 0.000 1.024 368 L CA -1.053 53.880 54.840 0.155 0.000 0.810 368 L CB 1.817 43.867 42.059 -0.014 0.000 1.240 368 L HN 0.788 nan 8.230 nan 0.000 0.427 369 Y N 2.581 123.027 120.300 0.244 0.000 2.406 369 Y HA 0.356 4.906 4.550 0.000 0.000 0.340 369 Y C -0.829 175.245 175.900 0.289 0.000 0.975 369 Y CA -0.874 57.412 58.100 0.310 0.000 1.056 369 Y CB 1.188 39.810 38.460 0.270 0.000 1.210 369 Y HN 0.482 nan 8.280 nan 0.000 0.448 370 H N 6.132 125.000 119.070 -0.338 0.000 2.697 370 H HA 0.498 5.055 4.556 0.000 0.000 0.270 370 H C 0.157 175.011 175.328 -0.791 0.000 1.188 370 H CA 0.493 56.264 56.048 -0.461 0.000 1.322 370 H CB 1.325 30.886 29.762 -0.335 0.000 1.405 370 H HN 0.971 nan 8.280 nan 0.000 0.502 371 A N 3.705 125.921 122.820 -1.007 0.000 1.883 371 A HA -0.221 4.099 4.320 0.000 0.000 0.217 371 A C 2.264 179.718 177.584 -0.218 0.000 1.186 371 A CA 1.772 53.381 52.037 -0.714 0.000 0.624 371 A CB -0.453 18.375 19.000 -0.287 0.000 0.822 371 A HN 0.798 nan 8.150 nan 0.000 0.444 372 Q N -0.498 119.195 119.800 -0.178 0.000 2.062 372 Q HA -0.269 4.071 4.340 0.000 0.000 0.209 372 Q C 1.180 177.237 176.000 0.094 0.000 0.996 372 Q CA 2.281 58.076 55.803 -0.015 0.000 0.859 372 Q CB -0.177 28.543 28.738 -0.030 0.000 0.920 372 Q HN 0.658 nan 8.270 nan 0.000 0.415 373 N N -1.139 117.707 118.700 0.243 0.000 2.299 373 N HA 0.158 4.898 4.740 0.000 0.000 0.187 373 N C -0.038 175.475 175.510 0.005 0.000 1.099 373 N CA 0.848 53.915 53.050 0.028 0.000 0.867 373 N CB 1.126 39.479 38.487 -0.223 0.000 0.974 373 N HN 0.432 nan 8.380 nan 0.000 0.477 374 G N 0.737 109.556 108.800 0.031 0.000 2.256 374 G HA2 -0.243 3.717 3.960 0.000 0.000 0.272 374 G HA3 -0.243 3.717 3.960 0.000 0.000 0.272 374 G C -0.451 174.523 174.900 0.123 0.000 1.076 374 G CA -0.003 45.144 45.100 0.079 0.000 0.882 374 G HN 0.217 nan 8.290 nan 0.000 0.497 375 L N -1.136 120.181 121.223 0.156 0.000 2.334 375 L HA 0.900 5.241 4.340 0.000 0.000 0.272 375 L C -0.048 177.112 176.870 0.483 0.000 1.020 375 L CA -1.323 53.680 54.840 0.272 0.000 0.812 375 L CB 1.753 43.979 42.059 0.280 0.000 1.264 375 L HN 0.145 nan 8.230 nan 0.000 0.439 376 F N 1.867 122.012 119.950 0.324 0.000 2.561 376 F HA 0.679 5.207 4.527 0.000 0.000 0.313 376 F C -1.319 174.686 175.800 0.341 0.000 1.126 376 F CA -0.620 57.568 58.000 0.313 0.000 0.918 376 F CB 1.724 40.779 39.000 0.092 0.000 1.199 376 F HN 0.032 nan 8.300 nan 0.000 0.444 377 V N 4.624 124.265 119.914 -0.454 0.000 2.483 377 V HA 0.410 4.530 4.120 0.000 0.000 0.297 377 V C -0.366 175.474 176.094 -0.424 0.000 1.027 377 V CA -0.703 61.427 62.300 -0.284 0.000 0.855 377 V CB 1.691 33.432 31.823 -0.136 0.000 0.995 377 V HN 0.846 nan 8.190 nan 0.000 0.424 378 T N 5.608 120.023 114.554 -0.233 0.000 2.767 378 T HA 0.733 5.083 4.350 0.000 0.000 0.284 378 T C -0.854 173.980 174.700 0.224 0.000 0.973 378 T CA -0.123 61.964 62.100 -0.021 0.000 0.996 378 T CB 0.363 69.273 68.868 0.070 0.000 0.927 378 T HN 0.806 nan 8.240 nan 0.000 0.456 379 Y N 1.535 121.841 120.300 0.009 0.000 2.764 379 Y HA 0.788 5.338 4.550 0.000 0.000 0.331 379 Y C -1.571 174.336 175.900 0.013 0.000 1.280 379 Y CA -1.690 56.411 58.100 0.002 0.000 1.065 379 Y CB 0.477 38.941 38.460 0.006 0.000 1.319 379 Y HN 0.499 nan 8.280 nan 0.000 0.453 380 D N 0.370 120.655 120.400 -0.192 0.000 2.419 380 D HA 0.534 5.175 4.640 0.000 0.000 0.234 380 D C -1.390 174.567 176.300 -0.573 0.000 1.014 380 D CA -0.125 53.658 54.000 -0.362 0.000 0.919 380 D CB 1.894 42.657 40.800 -0.062 0.000 1.366 380 D HN 0.729 nan 8.370 nan 0.000 0.490 381 D N -0.780 119.153 120.400 -0.778 0.000 2.812 381 D HA 0.392 5.032 4.640 0.000 0.000 0.318 381 D C 0.339 176.064 176.300 -0.959 0.000 1.234 381 D CA -0.766 52.731 54.000 -0.837 0.000 0.989 381 D CB 0.313 40.974 40.800 -0.231 0.000 1.442 381 D HN 0.285 nan 8.370 nan 0.000 0.537 382 A N -0.489 121.978 122.820 -0.588 0.000 2.024 382 A HA -0.177 4.143 4.320 0.000 0.000 0.220 382 A C 1.878 179.468 177.584 0.009 0.000 1.164 382 A CA 2.166 54.050 52.037 -0.255 0.000 0.643 382 A CB -0.926 17.990 19.000 -0.140 0.000 0.806 382 A HN 0.680 nan 8.150 nan 0.000 0.451 383 E N 0.290 120.470 120.200 -0.034 0.000 2.051 383 E HA -0.142 4.209 4.350 0.000 0.000 0.189 383 E C 2.199 178.987 176.600 0.313 0.000 0.979 383 E CA 1.321 57.745 56.400 0.040 0.000 0.803 383 E CB -0.106 29.511 29.700 -0.138 0.000 0.761 383 E HN 0.715 nan 8.360 nan 0.000 0.451 384 S N 0.051 115.988 115.700 0.395 0.000 2.399 384 S HA -0.124 4.346 4.470 0.000 0.000 0.231 384 S C 1.766 176.674 174.600 0.512 0.000 1.022 384 S CA 0.576 59.089 58.200 0.523 0.000 0.983 384 S CB -0.478 62.837 63.200 0.191 0.000 0.803 384 S HN 0.221 nan 8.310 nan 0.000 0.480 385 F N 2.450 122.513 119.950 0.188 0.000 2.333 385 F HA 0.174 4.701 4.527 0.000 0.000 0.300 385 F C 2.223 178.106 175.800 0.139 0.000 1.083 385 F CA 0.063 58.172 58.000 0.181 0.000 1.395 385 F CB -0.719 38.376 39.000 0.159 0.000 1.056 385 F HN 0.301 nan 8.300 nan 0.000 0.529 386 K N -0.857 119.592 120.400 0.082 0.000 2.057 386 K HA -0.176 4.144 4.320 0.000 0.000 0.206 386 K C 1.976 178.419 176.600 -0.261 0.000 1.050 386 K CA 1.562 57.542 56.287 -0.510 0.000 0.935 386 K CB -0.440 31.632 32.500 -0.714 0.000 0.715 386 K HN 0.200 nan 8.250 nan 0.000 0.439 387 Y N 1.424 121.792 120.300 0.112 0.000 2.200 387 Y HA -0.142 4.409 4.550 0.000 0.000 0.290 387 Y C 2.133 178.131 175.900 0.163 0.000 1.137 387 Y CA 1.194 59.389 58.100 0.157 0.000 1.163 387 Y CB -0.145 38.426 38.460 0.186 0.000 0.988 387 Y HN -0.049 nan 8.280 nan 0.000 0.518 388 K N -0.121 120.451 120.400 0.286 0.000 2.097 388 K HA -0.102 4.219 4.320 0.000 0.000 0.205 388 K C 2.372 179.134 176.600 0.270 0.000 1.050 388 K CA 1.026 57.450 56.287 0.227 0.000 0.938 388 K CB -0.328 32.279 32.500 0.179 0.000 0.718 388 K HN 0.277 nan 8.250 nan 0.000 0.442 389 A N 1.788 124.720 122.820 0.187 0.000 1.930 389 A HA -0.189 4.131 4.320 0.000 0.000 0.217 389 A C 2.053 179.799 177.584 0.271 0.000 1.175 389 A CA 1.520 53.646 52.037 0.148 0.000 0.627 389 A CB -0.295 18.583 19.000 -0.202 0.000 0.815 389 A HN 0.201 nan 8.150 nan 0.000 0.443 390 K N -1.832 118.687 120.400 0.198 0.000 2.057 390 K HA -0.175 4.146 4.320 0.000 0.000 0.206 390 K C 1.895 178.657 176.600 0.271 0.000 1.050 390 K CA 1.483 57.897 56.287 0.212 0.000 0.935 390 K CB -0.374 32.217 32.500 0.151 0.000 0.715 390 K HN 0.496 nan 8.250 nan 0.000 0.439 391 Y N 1.476 121.892 120.300 0.194 0.000 2.165 391 Y HA -0.231 4.319 4.550 0.000 0.000 0.286 391 Y C 1.755 177.763 175.900 0.179 0.000 1.155 391 Y CA 1.751 59.964 58.100 0.188 0.000 1.164 391 Y CB -0.100 38.436 38.460 0.128 0.000 0.978 391 Y HN 0.030 nan 8.280 nan 0.000 0.513 392 I N 0.077 120.845 120.570 0.330 0.000 2.163 392 I HA -0.360 3.810 4.170 0.000 0.000 0.243 392 I C 2.311 178.516 176.117 0.145 0.000 1.085 392 I CA 1.760 63.208 61.300 0.245 0.000 1.347 392 I CB -0.371 37.858 38.000 0.381 0.000 1.044 392 I HN 0.225 nan 8.210 nan 0.000 0.408 393 K N 0.295 120.823 120.400 0.214 0.000 2.025 393 K HA -0.194 4.127 4.320 0.000 0.000 0.207 393 K C 2.157 178.799 176.600 0.071 0.000 1.049 393 K CA 1.308 57.688 56.287 0.154 0.000 0.933 393 K CB -0.218 32.410 32.500 0.212 0.000 0.714 393 K HN 0.380 nan 8.250 nan 0.000 0.438 394 Q N 0.518 120.348 119.800 0.049 0.000 2.061 394 Q HA -0.160 4.181 4.340 0.000 0.000 0.204 394 Q C 1.892 177.851 176.000 -0.069 0.000 0.984 394 Q CA 1.146 56.948 55.803 -0.002 0.000 0.846 394 Q CB 0.048 28.788 28.738 0.003 0.000 0.902 394 Q HN 0.260 nan 8.270 nan 0.000 0.421 395 Q N 0.233 119.930 119.800 -0.173 0.000 2.444 395 Q HA -0.022 4.319 4.340 0.000 0.000 0.206 395 Q C -0.215 175.751 176.000 -0.057 0.000 0.948 395 Q CA 0.323 56.020 55.803 -0.176 0.000 0.946 395 Q CB 0.364 28.879 28.738 -0.371 0.000 1.027 395 Q HN 0.416 nan 8.270 nan 0.000 0.513 396 Q N 0.399 120.186 119.800 -0.021 0.000 2.453 396 Q HA -0.192 4.148 4.340 0.000 0.000 0.294 396 Q C -0.560 175.451 176.000 0.018 0.000 1.295 396 Q CA 0.257 56.064 55.803 0.007 0.000 0.853 396 Q CB -1.978 26.768 28.738 0.012 0.000 1.193 396 Q HN 0.372 nan 8.270 nan 0.000 0.461 397 L N -1.492 119.744 121.223 0.021 0.000 2.475 397 L HA 0.231 4.571 4.340 0.000 0.000 0.253 397 L C 1.868 178.755 176.870 0.028 0.000 1.198 397 L CA 0.533 55.398 54.840 0.042 0.000 0.814 397 L CB 0.166 42.266 42.059 0.067 0.000 1.134 397 L HN 0.346 nan 8.230 nan 0.000 0.478 398 G N -0.356 108.484 108.800 0.066 0.000 2.443 398 G HA2 0.307 4.267 3.960 0.000 0.000 0.219 398 G HA3 0.307 4.267 3.960 0.000 0.000 0.219 398 G C 0.572 175.433 174.900 -0.066 0.000 1.131 398 G CA 0.794 45.955 45.100 0.100 0.000 0.775 398 G HN 0.933 nan 8.290 nan 0.000 0.547 399 G N -2.066 106.661 108.800 -0.121 0.000 2.404 399 G HA2 0.386 4.346 3.960 0.000 0.000 0.253 399 G HA3 0.386 4.346 3.960 0.000 0.000 0.253 399 G C -1.767 173.087 174.900 -0.076 0.000 1.253 399 G CA 0.189 45.149 45.100 -0.234 0.000 0.917 399 G HN 0.784 nan 8.290 nan 0.000 0.480 400 V N 1.267 121.175 119.914 -0.011 0.000 2.914 400 V HA 0.888 5.009 4.120 0.000 0.000 0.314 400 V C -0.573 175.571 176.094 0.082 0.000 1.084 400 V CA -0.704 61.670 62.300 0.124 0.000 0.963 400 V CB 1.800 33.798 31.823 0.291 0.000 1.025 400 V HN 1.149 nan 8.190 nan 0.000 0.432 401 M N 6.610 126.283 119.600 0.121 0.000 2.572 401 M HA 0.689 5.169 4.480 0.000 0.000 0.299 401 M C -2.127 174.317 176.300 0.241 0.000 1.205 401 M CA -0.554 54.802 55.300 0.094 0.000 0.876 401 M CB 2.079 34.759 32.600 0.133 0.000 1.728 401 M HN 0.761 nan 8.290 nan 0.000 0.458 402 F N 1.317 121.322 119.950 0.091 0.000 2.619 402 F HA 0.737 5.264 4.527 0.000 0.000 0.308 402 F C -2.089 173.727 175.800 0.027 0.000 1.097 402 F CA -1.024 56.946 58.000 -0.049 0.000 0.953 402 F CB 1.220 39.879 39.000 -0.569 0.000 1.287 402 F HN 0.691 nan 8.300 nan 0.000 0.446 403 W N 5.523 126.879 121.300 0.094 0.000 2.411 403 W HA 0.541 5.202 4.660 0.000 0.000 0.317 403 W C -1.877 174.770 176.519 0.213 0.000 1.030 403 W CA -0.676 56.736 57.345 0.112 0.000 1.239 403 W CB 1.454 30.927 29.460 0.020 0.000 1.304 403 W HN 1.020 nan 8.180 nan 0.000 0.437 404 H N 2.284 121.153 119.070 -0.335 0.000 2.985 404 H HA 0.346 4.903 4.556 0.000 0.000 0.360 404 H C 0.572 175.763 175.328 -0.228 0.000 1.221 404 H CA -0.963 54.733 56.048 -0.586 0.000 1.121 404 H CB 1.403 30.284 29.762 -1.468 0.000 1.854 404 H HN 0.291 nan 8.280 nan 0.000 0.551 405 L N 0.936 122.170 121.223 0.019 0.000 2.064 405 L HA -0.200 4.141 4.340 0.000 0.000 0.216 405 L C 2.365 178.949 176.870 -0.477 0.000 1.077 405 L CA 2.015 56.913 54.840 0.097 0.000 0.766 405 L CB -0.597 41.630 42.059 0.280 0.000 0.890 405 L HN 1.069 nan 8.230 nan 0.000 0.435 406 G N -1.644 106.836 108.800 -0.533 0.000 2.708 406 G HA2 -0.188 3.772 3.960 0.000 0.000 0.210 406 G HA3 -0.188 3.772 3.960 0.000 0.000 0.210 406 G C 1.267 175.730 174.900 -0.729 0.000 1.141 406 G CA 0.158 44.745 45.100 -0.854 0.000 0.788 406 G HN 0.487 nan 8.290 nan 0.000 0.531 407 Q N -0.422 118.997 119.800 -0.634 0.000 2.282 407 Q HA 0.122 4.462 4.340 0.000 0.000 0.206 407 Q C 0.137 176.157 176.000 0.032 0.000 0.878 407 Q CA -0.506 55.167 55.803 -0.216 0.000 0.944 407 Q CB 0.626 29.281 28.738 -0.139 0.000 1.100 407 Q HN 0.260 nan 8.270 nan 0.000 0.509 408 D N 1.584 122.002 120.400 0.029 0.000 2.371 408 D HA -0.021 4.620 4.640 0.000 0.000 0.242 408 D C -0.083 176.345 176.300 0.214 0.000 1.218 408 D CA -0.107 53.950 54.000 0.096 0.000 0.945 408 D CB 0.681 41.558 40.800 0.129 0.000 1.137 408 D HN 0.109 nan 8.370 nan 0.000 0.464 409 N N 0.783 119.621 118.700 0.230 0.000 2.317 409 N HA 0.031 4.771 4.740 0.000 0.000 0.245 409 N C 0.951 176.614 175.510 0.254 0.000 1.294 409 N CA -0.246 52.925 53.050 0.202 0.000 0.924 409 N CB 0.403 38.973 38.487 0.138 0.000 1.186 409 N HN 0.221 nan 8.380 nan 0.000 0.495 410 R N -0.327 120.271 120.500 0.164 0.000 2.117 410 R HA -0.071 4.269 4.340 0.000 0.000 0.243 410 R C 0.534 176.886 176.300 0.087 0.000 1.143 410 R CA 1.187 57.347 56.100 0.099 0.000 0.968 410 R CB -0.694 29.617 30.300 0.018 0.000 0.863 410 R HN 0.631 nan 8.270 nan 0.000 0.444 411 N N -0.240 118.509 118.700 0.081 0.000 2.521 411 N HA -0.034 4.706 4.740 0.000 0.000 0.188 411 N C 0.643 176.205 175.510 0.087 0.000 1.146 411 N CA 0.977 54.064 53.050 0.061 0.000 0.893 411 N CB 0.277 38.785 38.487 0.035 0.000 0.975 411 N HN 0.376 nan 8.380 nan 0.000 0.451 412 G N 1.596 110.483 108.800 0.145 0.000 2.273 412 G HA2 -0.258 3.702 3.960 0.000 0.000 0.280 412 G HA3 -0.258 3.702 3.960 0.000 0.000 0.280 412 G C 0.472 175.390 174.900 0.031 0.000 1.047 412 G CA 0.414 45.601 45.100 0.145 0.000 0.869 412 G HN 0.231 nan 8.290 nan 0.000 0.502 413 D N -0.171 120.223 120.400 -0.010 0.000 2.144 413 D HA -0.063 4.578 4.640 0.000 0.000 0.199 413 D C 2.737 178.916 176.300 -0.202 0.000 0.984 413 D CA 0.937 54.888 54.000 -0.083 0.000 0.834 413 D CB -0.019 40.752 40.800 -0.048 0.000 0.955 413 D HN 0.542 nan 8.370 nan 0.000 0.465 414 L N 0.170 121.185 121.223 -0.346 0.000 2.017 414 L HA -0.157 4.184 4.340 0.000 0.000 0.208 414 L C 2.457 179.182 176.870 -0.242 0.000 1.073 414 L CA 0.604 55.137 54.840 -0.512 0.000 0.745 414 L CB -0.446 40.854 42.059 -1.265 0.000 0.894 414 L HN 0.102 nan 8.230 nan 0.000 0.432 415 L N 0.491 121.631 121.223 -0.138 0.000 2.046 415 L HA -0.140 4.201 4.340 0.000 0.000 0.208 415 L C 2.638 179.472 176.870 -0.061 0.000 1.077 415 L CA 2.044 56.864 54.840 -0.034 0.000 0.747 415 L CB -0.773 41.347 42.059 0.101 0.000 0.896 415 L HN 0.133 nan 8.230 nan 0.000 0.432 416 A N -0.347 122.425 122.820 -0.081 0.000 1.940 416 A HA -0.126 4.194 4.320 0.000 0.000 0.219 416 A C 2.468 179.897 177.584 -0.258 0.000 1.176 416 A CA 1.949 53.918 52.037 -0.113 0.000 0.631 416 A CB -1.207 17.742 19.000 -0.085 0.000 0.814 416 A HN 0.626 nan 8.150 nan 0.000 0.446 417 A N -0.184 122.427 122.820 -0.348 0.000 1.877 417 A HA -0.045 4.275 4.320 0.000 0.000 0.216 417 A C 2.180 179.142 177.584 -1.037 0.000 1.186 417 A CA 1.507 53.120 52.037 -0.705 0.000 0.620 417 A CB -0.630 18.075 19.000 -0.491 0.000 0.822 417 A HN 0.478 nan 8.150 nan 0.000 0.443 418 L N -0.568 120.335 121.223 -0.532 0.000 2.017 418 L HA -0.227 4.113 4.340 0.000 0.000 0.208 418 L C 2.470 179.135 176.870 -0.343 0.000 1.073 418 L CA 1.979 56.556 54.840 -0.438 0.000 0.745 418 L CB -0.703 41.272 42.059 -0.140 0.000 0.894 418 L HN 0.541 nan 8.230 nan 0.000 0.432 419 D N 0.003 120.313 120.400 -0.150 0.000 2.117 419 D HA -0.252 4.389 4.640 0.000 0.000 0.197 419 D C 2.298 178.541 176.300 -0.095 0.000 0.987 419 D CA 1.247 55.242 54.000 -0.008 0.000 0.829 419 D CB 0.048 40.861 40.800 0.021 0.000 0.961 419 D HN 0.079 nan 8.370 nan 0.000 0.460 420 R N -1.219 119.111 120.500 -0.283 0.000 2.073 420 R HA -0.195 4.145 4.340 0.000 0.000 0.234 420 R C 1.946 178.096 176.300 -0.250 0.000 1.134 420 R CA 1.397 57.337 56.100 -0.267 0.000 0.952 420 R CB -0.448 29.625 30.300 -0.379 0.000 0.850 420 R HN 0.259 nan 8.270 nan 0.000 0.433 421 Y N -0.405 119.583 120.300 -0.520 0.000 2.274 421 Y HA -0.141 4.410 4.550 0.000 0.000 0.290 421 Y C 1.876 177.645 175.900 -0.219 0.000 1.145 421 Y CA 0.692 58.418 58.100 -0.623 0.000 1.203 421 Y CB -0.512 37.510 38.460 -0.730 0.000 0.984 421 Y HN 0.069 nan 8.280 nan 0.000 0.533 422 F N -0.676 119.363 119.950 0.148 0.000 2.387 422 F HA 0.050 4.577 4.527 0.000 0.000 0.294 422 F C 1.613 177.487 175.800 0.123 0.000 1.093 422 F CA 0.578 58.661 58.000 0.139 0.000 1.420 422 F CB -0.239 38.818 39.000 0.096 0.000 1.086 422 F HN 0.049 nan 8.300 nan 0.000 0.531 423 N N -0.521 118.334 118.700 0.258 0.000 2.193 423 N HA 0.227 4.967 4.740 0.000 0.000 0.210 423 N C 0.431 176.028 175.510 0.146 0.000 1.215 423 N CA 0.268 53.430 53.050 0.186 0.000 0.901 423 N CB 0.454 39.032 38.487 0.153 0.000 1.060 423 N HN -0.002 nan 8.380 nan 0.000 0.508 424 A N 0.998 123.905 122.820 0.146 0.000 2.454 424 A HA 0.546 4.867 4.320 0.000 0.000 0.260 424 A C 1.402 179.082 177.584 0.159 0.000 1.106 424 A CA 0.134 52.253 52.037 0.136 0.000 0.780 424 A CB 0.429 19.506 19.000 0.129 0.000 1.044 424 A HN 0.240 nan 8.150 nan 0.000 0.498 425 A N 2.356 125.243 122.820 0.113 0.000 1.972 425 A HA -0.110 4.211 4.320 0.000 0.000 0.219 425 A C 1.415 179.054 177.584 0.092 0.000 1.169 425 A CA 1.824 53.917 52.037 0.093 0.000 0.635 425 A CB -0.390 18.650 19.000 0.067 0.000 0.810 425 A HN 0.882 nan 8.150 nan 0.000 0.446 426 D N -2.666 117.796 120.400 0.104 0.000 2.328 426 D HA 0.035 4.675 4.640 0.000 0.000 0.226 426 D C 0.103 176.485 176.300 0.138 0.000 1.066 426 D CA -0.225 53.832 54.000 0.095 0.000 0.861 426 D CB -0.488 40.358 40.800 0.077 0.000 0.912 426 D HN 0.442 nan 8.370 nan 0.000 0.521 427 Y N 1.119 121.448 120.300 0.048 0.000 2.341 427 Y HA 0.446 4.996 4.550 0.001 0.000 0.337 427 Y C -1.403 174.517 175.900 0.034 0.000 1.014 427 Y CA -1.490 56.642 58.100 0.053 0.000 1.111 427 Y CB 1.496 40.022 38.460 0.111 0.000 1.194 427 Y HN -0.187 nan 8.280 nan 0.000 0.462 428 D N 4.666 124.668 120.400 -0.665 0.000 2.476 428 D HA 0.153 4.794 4.640 0.000 0.000 0.251 428 D C -0.919 174.986 176.300 -0.658 0.000 1.291 428 D CA -0.615 53.088 54.000 -0.495 0.000 0.939 428 D CB 0.784 41.449 40.800 -0.224 0.000 1.221 428 D HN 0.673 nan 8.370 nan 0.000 0.567 429 D N 1.473 121.513 120.400 -0.600 0.000 2.427 429 D HA -0.012 4.628 4.640 0.000 0.000 0.224 429 D C 1.235 177.432 176.300 -0.172 0.000 1.157 429 D CA -0.011 53.748 54.000 -0.402 0.000 0.828 429 D CB 0.015 40.660 40.800 -0.258 0.000 0.974 429 D HN 0.187 nan 8.370 nan 0.000 0.498 430 S N 0.025 115.642 115.700 -0.140 0.000 2.419 430 S HA -0.216 4.254 4.470 0.000 0.000 0.233 430 S C 1.498 176.072 174.600 -0.044 0.000 1.016 430 S CA 0.735 58.898 58.200 -0.062 0.000 0.974 430 S CB -0.268 62.903 63.200 -0.049 0.000 0.786 430 S HN 0.152 nan 8.310 nan 0.000 0.492 431 Q N 0.422 120.183 119.800 -0.066 0.000 2.247 431 Q HA 0.415 4.755 4.340 0.000 0.000 0.204 431 Q C -0.168 175.819 176.000 -0.023 0.000 0.872 431 Q CA -0.247 55.534 55.803 -0.035 0.000 0.951 431 Q CB -0.058 28.657 28.738 -0.039 0.000 1.099 431 Q HN 0.527 nan 8.270 nan 0.000 0.501 432 L N 2.813 124.009 121.223 -0.045 0.000 2.477 432 L HA 0.049 4.389 4.340 0.000 0.000 0.272 432 L C -0.214 176.713 176.870 0.094 0.000 1.157 432 L CA 0.080 54.905 54.840 -0.024 0.000 0.889 432 L CB 0.428 42.409 42.059 -0.130 0.000 1.158 432 L HN -0.052 nan 8.230 nan 0.000 0.473 433 D N 4.904 125.405 120.400 0.169 0.000 2.336 433 D HA 0.082 4.722 4.640 0.000 0.000 0.249 433 D C 0.890 177.399 176.300 0.348 0.000 1.213 433 D CA -0.226 53.900 54.000 0.210 0.000 0.870 433 D CB 0.779 41.677 40.800 0.163 0.000 1.076 433 D HN 0.500 nan 8.370 nan 0.000 0.483 434 M N 2.899 122.683 119.600 0.305 0.000 2.686 434 M HA 0.177 4.657 4.480 0.000 0.000 0.246 434 M C 1.243 177.689 176.300 0.243 0.000 1.096 434 M CA 0.693 56.232 55.300 0.398 0.000 1.076 434 M CB -1.601 31.237 32.600 0.397 0.000 1.504 434 M HN 0.674 nan 8.290 nan 0.000 0.524 435 G N 0.715 109.599 108.800 0.140 0.000 2.782 435 G HA2 -0.228 3.732 3.960 0.000 0.000 0.228 435 G HA3 -0.228 3.732 3.960 0.000 0.000 0.228 435 G C 0.232 175.110 174.900 -0.037 0.000 1.372 435 G CA 0.096 45.230 45.100 0.057 0.000 0.862 435 G HN 0.426 nan 8.290 nan 0.000 0.547 436 T N -1.525 113.005 114.554 -0.039 0.000 3.215 436 T HA 0.601 4.951 4.350 0.000 0.000 0.271 436 T C 1.272 175.919 174.700 -0.089 0.000 1.012 436 T CA 1.038 63.093 62.100 -0.075 0.000 0.899 436 T CB 0.387 69.236 68.868 -0.033 0.000 1.089 436 T HN 1.954 nan 8.240 nan 0.000 0.552 437 G N 1.545 110.292 108.800 -0.090 0.000 2.664 437 G HA2 0.457 4.418 3.960 0.000 0.000 0.242 437 G HA3 0.457 4.418 3.960 0.000 0.000 0.242 437 G C -0.049 174.808 174.900 -0.072 0.000 1.225 437 G CA -0.801 44.290 45.100 -0.014 0.000 0.849 437 G HN 0.592 nan 8.290 nan 0.000 0.581 438 L N 0.813 122.056 121.223 0.034 0.000 2.410 438 L HA 0.249 4.589 4.340 0.000 0.000 0.273 438 L C 0.760 177.710 176.870 0.133 0.000 1.144 438 L CA -0.459 54.410 54.840 0.049 0.000 0.863 438 L CB 0.399 42.505 42.059 0.077 0.000 1.140 438 L HN 0.358 nan 8.230 nan 0.000 0.463 439 R N 1.977 122.519 120.500 0.068 0.000 2.500 439 R HA 0.277 4.617 4.340 0.000 0.000 0.277 439 R C -0.866 175.585 176.300 0.253 0.000 1.026 439 R CA -0.507 55.707 56.100 0.190 0.000 1.058 439 R CB 0.651 30.995 30.300 0.074 0.000 1.078 439 R HN 0.327 nan 8.270 nan 0.000 0.509 440 Y N 1.120 121.547 120.300 0.211 0.000 2.350 440 Y HA 0.216 4.766 4.550 0.000 0.000 0.340 440 Y C 0.005 175.980 175.900 0.125 0.000 1.006 440 Y CA -0.080 58.123 58.100 0.172 0.000 1.166 440 Y CB 0.995 39.572 38.460 0.197 0.000 1.168 440 Y HN 0.633 nan 8.280 nan 0.000 0.502 441 T N 2.595 117.021 114.554 -0.213 0.000 3.532 441 T HA 0.439 4.790 4.350 0.000 0.000 0.241 441 T C 0.245 174.782 174.700 -0.272 0.000 1.238 441 T CA -0.466 61.554 62.100 -0.133 0.000 1.405 441 T CB -0.246 68.578 68.868 -0.074 0.000 0.971 441 T HN 0.836 nan 8.240 nan 0.000 0.640 442 G N 0.610 109.187 108.800 -0.371 0.000 2.415 442 G HA2 0.554 4.514 3.960 0.000 0.000 0.269 442 G HA3 0.554 4.514 3.960 0.000 0.000 0.269 442 G C -0.852 173.986 174.900 -0.104 0.000 1.209 442 G CA -0.534 44.403 45.100 -0.272 0.000 0.835 442 G HN 0.528 nan 8.290 nan 0.000 0.534 443 V N 1.549 121.366 119.914 -0.162 0.000 2.483 443 V HA 0.773 4.893 4.120 0.000 0.000 0.297 443 V C 0.689 176.643 176.094 -0.232 0.000 1.027 443 V CA -0.125 62.089 62.300 -0.142 0.000 0.855 443 V CB 1.353 33.098 31.823 -0.129 0.000 0.995 443 V HN 1.061 nan 8.190 nan 0.000 0.424 444 G N 4.204 112.864 108.800 -0.233 0.000 2.788 444 G HA2 0.609 4.569 3.960 0.000 0.000 0.293 444 G HA3 0.609 4.569 3.960 0.000 0.000 0.293 444 G C -2.348 172.291 174.900 -0.435 0.000 1.305 444 G CA -1.531 43.314 45.100 -0.425 0.000 1.005 444 G HN 0.480 nan 8.290 nan 0.000 0.496 445 P HA -0.019 nan 4.420 nan 0.000 0.222 445 P C 1.538 178.676 177.300 -0.271 0.000 1.142 445 P CA 1.568 64.348 63.100 -0.533 0.000 0.788 445 P CB 0.293 31.518 31.700 -0.791 0.000 0.767 446 G N -0.740 107.949 108.800 -0.185 0.000 2.796 446 G HA2 -0.068 3.893 3.960 0.000 0.000 0.210 446 G HA3 -0.068 3.893 3.960 0.000 0.000 0.210 446 G C 0.693 175.578 174.900 -0.025 0.000 1.146 446 G CA -0.048 45.024 45.100 -0.046 0.000 0.779 446 G HN 0.334 nan 8.290 nan 0.000 0.535 447 N N 0.570 119.240 118.700 -0.049 0.000 2.610 447 N HA 0.189 4.929 4.740 0.000 0.000 0.307 447 N C -0.388 175.090 175.510 -0.052 0.000 1.813 447 N CA -0.346 52.689 53.050 -0.024 0.000 0.901 447 N CB -0.166 38.329 38.487 0.014 0.000 1.354 447 N HN 0.055 nan 8.380 nan 0.000 0.491 448 L N 1.445 122.625 121.223 -0.072 0.000 2.416 448 L HA 0.313 4.653 4.340 0.000 0.000 0.272 448 L C -1.595 175.236 176.870 -0.065 0.000 1.161 448 L CA -1.308 53.482 54.840 -0.084 0.000 0.845 448 L CB 0.338 42.344 42.059 -0.087 0.000 1.119 448 L HN 0.085 nan 8.230 nan 0.000 0.464 449 P HA 0.129 nan 4.420 nan 0.000 0.274 449 P C -0.581 176.681 177.300 -0.063 0.000 1.246 449 P CA -0.530 62.538 63.100 -0.054 0.000 0.795 449 P CB 0.968 32.639 31.700 -0.047 0.000 1.006 450 I N 1.450 121.986 120.570 -0.056 0.000 2.529 450 I HA 0.231 4.401 4.170 0.000 0.000 0.284 450 I C 0.943 177.027 176.117 -0.055 0.000 1.082 450 I CA 0.374 61.636 61.300 -0.064 0.000 1.406 450 I CB -0.271 37.698 38.000 -0.053 0.000 1.405 450 I HN 0.418 nan 8.210 nan 0.000 0.548 451 M N 3.968 123.532 119.600 -0.060 0.000 2.618 451 M HA 0.369 4.849 4.480 0.000 0.000 0.281 451 M C -0.792 175.488 176.300 -0.034 0.000 1.267 451 M CA -0.537 54.737 55.300 -0.043 0.000 0.845 451 M CB 2.862 35.434 32.600 -0.046 0.000 1.732 451 M HN 0.403 nan 8.290 nan 0.000 0.461 452 T N 1.456 116.000 114.554 -0.016 0.000 2.840 452 T HA 0.841 5.192 4.350 0.000 0.000 0.287 452 T C -1.347 173.362 174.700 0.014 0.000 0.991 452 T CA -0.634 61.464 62.100 -0.004 0.000 0.964 452 T CB 1.451 70.317 68.868 -0.004 0.000 0.954 452 T HN 0.711 nan 8.240 nan 0.000 0.438 453 A N 4.499 127.337 122.820 0.028 0.000 2.594 453 A HA 0.855 5.175 4.320 0.000 0.000 0.295 453 A C -3.118 174.505 177.584 0.064 0.000 1.071 453 A CA -1.750 50.317 52.037 0.050 0.000 0.685 453 A CB 0.937 19.976 19.000 0.065 0.000 1.285 453 A HN 0.539 nan 8.150 nan 0.000 0.405 454 P HA 0.358 nan 4.420 nan 0.000 0.266 454 P C 0.183 177.548 177.300 0.108 0.000 1.195 454 P CA 0.397 63.547 63.100 0.084 0.000 0.768 454 P CB 0.682 32.438 31.700 0.094 0.000 0.838 455 A N 3.412 126.296 122.820 0.106 0.000 2.507 455 A HA 0.073 4.393 4.320 0.000 0.000 0.235 455 A C -0.229 177.458 177.584 0.171 0.000 1.070 455 A CA 0.002 52.125 52.037 0.144 0.000 0.768 455 A CB -0.477 18.596 19.000 0.122 0.000 1.011 455 A HN 0.573 nan 8.150 nan 0.000 0.502 456 Y N 1.548 121.889 120.300 0.068 0.000 2.397 456 Y HA 0.399 4.949 4.550 0.000 0.000 0.335 456 Y C -0.223 175.719 175.900 0.070 0.000 1.213 456 Y CA -0.038 58.048 58.100 -0.023 0.000 1.391 456 Y CB 0.693 38.918 38.460 -0.392 0.000 1.293 456 Y HN 0.350 nan 8.280 nan 0.000 0.557 457 V N 8.550 128.043 119.914 -0.701 0.000 2.325 457 V HA 0.303 4.423 4.120 0.000 0.000 0.280 457 V C -2.293 173.273 176.094 -0.880 0.000 1.016 457 V CA -2.096 59.858 62.300 -0.577 0.000 0.818 457 V CB 0.946 32.622 31.823 -0.245 0.000 1.019 457 V HN 0.741 nan 8.190 nan 0.000 0.434 458 P HA 0.212 nan 4.420 nan 0.000 0.265 458 P C 1.108 178.296 177.300 -0.186 0.000 1.187 458 P CA 1.467 64.367 63.100 -0.334 0.000 0.766 458 P CB 0.672 32.331 31.700 -0.069 0.000 0.820 459 G N 1.185 109.940 108.800 -0.075 0.000 2.195 459 G HA2 -0.209 3.751 3.960 0.000 0.000 0.246 459 G HA3 -0.209 3.751 3.960 0.000 0.000 0.246 459 G C 0.323 175.165 174.900 -0.096 0.000 0.984 459 G CA 0.160 45.226 45.100 -0.056 0.000 0.633 459 G HN 0.614 nan 8.290 nan 0.000 0.525 460 T N 1.576 116.021 114.554 -0.181 0.000 2.913 460 T HA 0.578 4.928 4.350 0.000 0.000 0.287 460 T C 0.183 174.716 174.700 -0.278 0.000 1.008 460 T CA 0.523 62.443 62.100 -0.300 0.000 1.067 460 T CB 1.644 70.193 68.868 -0.532 0.000 0.996 460 T HN 0.184 nan 8.240 nan 0.000 0.513 461 T N 2.740 117.109 114.554 -0.307 0.000 2.771 461 T HA 0.481 4.832 4.350 0.000 0.000 0.281 461 T C -0.998 173.501 174.700 -0.336 0.000 0.982 461 T CA -0.360 61.635 62.100 -0.176 0.000 0.978 461 T CB 0.227 69.059 68.868 -0.060 0.000 0.930 461 T HN 0.370 nan 8.240 nan 0.000 0.447 462 Y N 1.260 121.558 120.300 -0.004 0.000 2.420 462 Y HA 0.635 5.185 4.550 0.000 0.000 0.334 462 Y C 0.607 176.396 175.900 -0.184 0.000 1.094 462 Y CA -1.013 57.048 58.100 -0.065 0.000 1.126 462 Y CB 1.122 39.567 38.460 -0.025 0.000 1.217 462 Y HN 0.770 nan 8.280 nan 0.000 0.462 463 A N 2.090 124.912 122.820 0.003 0.000 2.257 463 A HA 0.332 4.652 4.320 0.000 0.000 0.289 463 A C -0.195 177.329 177.584 -0.099 0.000 1.095 463 A CA -0.740 51.235 52.037 -0.103 0.000 0.836 463 A CB 0.559 19.505 19.000 -0.091 0.000 1.111 463 A HN 0.671 nan 8.150 nan 0.000 0.497 464 Q N -0.086 119.660 119.800 -0.090 0.000 2.361 464 Q HA 0.297 4.637 4.340 0.000 0.000 0.276 464 Q C 1.044 176.998 176.000 -0.076 0.000 1.022 464 Q CA 1.572 57.319 55.803 -0.093 0.000 0.898 464 Q CB 0.585 29.317 28.738 -0.009 0.000 1.246 464 Q HN 1.917 nan 8.270 nan 0.000 0.410 465 G N 2.413 111.155 108.800 -0.098 0.000 2.184 465 G HA2 -0.309 3.651 3.960 0.000 0.000 0.264 465 G HA3 -0.309 3.651 3.960 0.000 0.000 0.264 465 G C 0.277 175.162 174.900 -0.025 0.000 0.975 465 G CA 0.386 45.457 45.100 -0.049 0.000 0.642 465 G HN 1.041 nan 8.290 nan 0.000 0.536 466 A N -0.226 122.569 122.820 -0.043 0.000 2.462 466 A HA 0.676 4.997 4.320 0.000 0.000 0.243 466 A C 0.302 177.925 177.584 0.065 0.000 1.076 466 A CA 0.355 52.409 52.037 0.030 0.000 0.773 466 A CB 0.385 19.438 19.000 0.088 0.000 1.010 466 A HN 0.942 nan 8.150 nan 0.000 0.493 467 L N 2.686 123.969 121.223 0.101 0.000 2.333 467 L HA 0.637 4.978 4.340 0.000 0.000 0.280 467 L C -0.304 176.641 176.870 0.126 0.000 1.004 467 L CA -0.738 54.182 54.840 0.134 0.000 0.820 467 L CB 1.858 43.969 42.059 0.087 0.000 1.247 467 L HN 0.687 nan 8.230 nan 0.000 0.416 468 V N -0.140 119.861 119.914 0.146 0.000 3.078 468 V HA 0.826 4.946 4.120 0.000 0.000 0.311 468 V C -0.276 175.920 176.094 0.170 0.000 1.138 468 V CA -0.668 61.686 62.300 0.091 0.000 1.007 468 V CB 2.033 33.809 31.823 -0.077 0.000 1.045 468 V HN 0.731 nan 8.190 nan 0.000 0.432 469 S N 2.006 117.815 115.700 0.181 0.000 2.509 469 S HA 0.871 5.341 4.470 0.000 0.000 0.297 469 S C -1.065 173.741 174.600 0.345 0.000 1.118 469 S CA -0.575 57.760 58.200 0.226 0.000 1.074 469 S CB 1.406 64.676 63.200 0.117 0.000 1.038 469 S HN 1.787 nan 8.310 nan 0.000 0.498 470 Y N 1.102 121.550 120.300 0.246 0.000 2.357 470 Y HA 0.232 4.782 4.550 0.000 0.000 0.319 470 Y C -0.718 175.354 175.900 0.287 0.000 1.225 470 Y CA -0.450 57.746 58.100 0.160 0.000 1.095 470 Y CB 0.893 39.281 38.460 -0.122 0.000 1.302 470 Y HN 0.965 nan 8.280 nan 0.000 0.429 471 Q N 4.436 124.053 119.800 -0.305 0.000 2.451 471 Q HA -0.236 4.105 4.340 0.000 0.000 0.305 471 Q C 1.032 177.051 176.000 0.032 0.000 1.345 471 Q CA 1.446 57.128 55.803 -0.201 0.000 0.854 471 Q CB -1.673 26.883 28.738 -0.303 0.000 1.162 471 Q HN 1.729 nan 8.270 nan 0.000 0.440 472 G N -2.007 106.753 108.800 -0.068 0.000 2.199 472 G HA2 -0.337 3.624 3.960 0.000 0.000 0.254 472 G HA3 -0.337 3.624 3.960 0.000 0.000 0.254 472 G C -0.294 174.260 174.900 -0.577 0.000 0.982 472 G CA 0.478 45.400 45.100 -0.297 0.000 0.632 472 G HN 0.400 nan 8.290 nan 0.000 0.529 473 Y N -1.277 118.979 120.300 -0.074 0.000 2.605 473 Y HA 0.661 5.211 4.550 0.001 0.000 0.343 473 Y C 0.256 175.950 175.900 -0.344 0.000 1.036 473 Y CA -1.163 56.732 58.100 -0.342 0.000 1.065 473 Y CB 2.085 40.062 38.460 -0.804 0.000 1.288 473 Y HN 0.083 nan 8.280 nan 0.000 0.481 474 V N 1.547 121.310 119.914 -0.252 0.000 2.427 474 V HA 0.301 4.421 4.120 0.000 0.000 0.286 474 V C -1.179 174.746 176.094 -0.282 0.000 1.034 474 V CA -0.812 61.413 62.300 -0.125 0.000 0.893 474 V CB 0.512 32.296 31.823 -0.066 0.000 0.982 474 V HN 0.658 nan 8.190 nan 0.000 0.452 475 W N 2.776 124.089 121.300 0.021 0.000 2.781 475 W HA 0.733 5.393 4.660 0.000 0.000 0.345 475 W C -0.149 176.485 176.519 0.191 0.000 1.085 475 W CA -0.594 56.791 57.345 0.067 0.000 1.198 475 W CB 1.419 30.846 29.460 -0.055 0.000 1.423 475 W HN 0.406 nan 8.180 nan 0.000 0.532 476 Q N 1.188 121.257 119.800 0.448 0.000 2.323 476 Q HA 0.430 4.771 4.340 0.000 0.000 0.271 476 Q C -0.401 175.620 176.000 0.034 0.000 1.048 476 Q CA -0.592 55.347 55.803 0.227 0.000 0.792 476 Q CB 1.912 30.701 28.738 0.085 0.000 1.280 476 Q HN 0.542 nan 8.270 nan 0.000 0.441 477 T N 0.691 115.061 114.554 -0.307 0.000 2.884 477 T HA 0.271 4.622 4.350 0.000 0.000 0.298 477 T C 0.436 174.882 174.700 -0.424 0.000 0.998 477 T CA -0.436 61.239 62.100 -0.708 0.000 1.124 477 T CB 1.024 69.333 68.868 -0.931 0.000 0.931 477 T HN 0.682 nan 8.240 nan 0.000 0.531 478 K N 1.593 121.681 120.400 -0.520 0.000 2.393 478 K HA 0.234 4.554 4.320 0.000 0.000 0.193 478 K C -0.202 176.420 176.600 0.037 0.000 1.026 478 K CA -0.101 56.069 56.287 -0.195 0.000 1.064 478 K CB 0.167 32.615 32.500 -0.087 0.000 0.833 478 K HN 0.852 nan 8.250 nan 0.000 0.521 479 W N -1.554 119.668 121.300 -0.129 0.000 2.959 479 W HA 0.575 5.236 4.660 0.001 0.000 0.358 479 W C -0.447 176.014 176.519 -0.097 0.000 1.228 479 W CA -1.512 55.781 57.345 -0.086 0.000 1.183 479 W CB -0.111 29.314 29.460 -0.059 0.000 1.467 479 W HN -0.159 nan 8.180 nan 0.000 0.578 480 G N -0.481 108.481 108.800 0.270 0.000 2.580 480 G HA2 0.416 4.376 3.960 0.000 0.000 0.278 480 G HA3 0.416 4.376 3.960 0.000 0.000 0.278 480 G C -1.036 174.041 174.900 0.295 0.000 1.212 480 G CA -0.487 44.704 45.100 0.151 0.000 0.939 480 G HN 1.062 nan 8.290 nan 0.000 0.513 481 Y N -2.342 117.989 120.300 0.050 0.000 3.234 481 Y HA -0.161 4.390 4.550 0.001 0.000 0.207 481 Y C 0.591 176.522 175.900 0.051 0.000 1.316 481 Y CA -0.289 57.841 58.100 0.050 0.000 1.309 481 Y CB -1.762 36.735 38.460 0.062 0.000 1.408 481 Y HN 0.227 nan 8.280 nan 0.000 0.544 482 I N 0.992 121.607 120.570 0.076 0.000 2.452 482 I HA 0.075 4.245 4.170 0.000 0.000 0.287 482 I C 1.421 177.652 176.117 0.191 0.000 1.079 482 I CA 0.692 62.013 61.300 0.035 0.000 1.387 482 I CB 0.833 38.659 38.000 -0.289 0.000 1.404 482 I HN 0.419 nan 8.210 nan 0.000 0.522 483 T N 0.293 114.964 114.554 0.193 0.000 3.044 483 T HA 0.139 4.489 4.350 0.000 0.000 0.260 483 T C 0.676 175.514 174.700 0.230 0.000 1.019 483 T CA -0.343 61.878 62.100 0.202 0.000 0.921 483 T CB -0.026 68.925 68.868 0.137 0.000 1.053 483 T HN 0.545 nan 8.240 nan 0.000 0.533 484 S N 1.228 117.071 115.700 0.237 0.000 2.632 484 S HA 0.796 5.266 4.470 0.000 0.000 0.271 484 S C 0.288 174.973 174.600 0.142 0.000 1.260 484 S CA -0.774 57.532 58.200 0.178 0.000 1.010 484 S CB 1.177 64.466 63.200 0.147 0.000 0.965 484 S HN 0.604 nan 8.310 nan 0.000 0.534 485 A N 1.797 124.498 122.820 -0.199 0.000 2.322 485 A HA 0.666 4.986 4.320 0.000 0.000 0.269 485 A C -2.658 174.169 177.584 -1.261 0.000 1.094 485 A CA -2.052 49.407 52.037 -0.963 0.000 0.807 485 A CB -0.622 17.935 19.000 -0.739 0.000 1.047 485 A HN 0.656 nan 8.150 nan 0.000 0.487 486 P HA 0.254 nan 4.420 nan 0.000 0.264 486 P C 1.022 177.396 177.300 -1.543 0.000 1.193 486 P CA 2.005 63.621 63.100 -2.474 0.000 0.763 486 P CB 0.724 30.685 31.700 -2.898 0.000 0.810 487 G N 2.582 110.655 108.800 -1.213 0.000 2.253 487 G HA2 -0.304 3.656 3.960 0.000 0.000 0.251 487 G HA3 -0.304 3.656 3.960 0.000 0.000 0.251 487 G C 1.079 175.812 174.900 -0.280 0.000 0.998 487 G CA 0.522 45.219 45.100 -0.672 0.000 0.621 487 G HN 0.606 nan 8.290 nan 0.000 0.524 488 S N 0.449 115.988 115.700 -0.268 0.000 2.593 488 S HA 0.424 4.895 4.470 0.000 0.000 0.217 488 S C 0.387 174.971 174.600 -0.026 0.000 0.966 488 S CA 0.983 59.115 58.200 -0.112 0.000 0.914 488 S CB 0.187 63.320 63.200 -0.111 0.000 0.776 488 S HN 1.315 nan 8.310 nan 0.000 0.523 489 D N -0.274 120.126 120.400 0.000 0.000 2.694 489 D HA 0.071 4.711 4.640 0.000 0.000 0.260 489 D C 0.198 176.549 176.300 0.086 0.000 1.250 489 D CA -0.025 54.016 54.000 0.067 0.000 0.763 489 D CB 0.738 41.595 40.800 0.095 0.000 1.311 489 D HN 0.081 nan 8.370 nan 0.000 0.420 490 S N -0.847 114.932 115.700 0.132 0.000 2.584 490 S HA 0.026 4.497 4.470 0.000 0.000 0.240 490 S C 1.679 176.283 174.600 0.007 0.000 0.975 490 S CA 0.781 59.075 58.200 0.157 0.000 0.949 490 S CB -0.507 62.849 63.200 0.259 0.000 0.761 490 S HN 0.691 nan 8.310 nan 0.000 0.536 491 A N 0.151 122.834 122.820 -0.229 0.000 2.067 491 A HA 0.239 4.559 4.320 0.000 0.000 0.217 491 A C 0.341 177.430 177.584 -0.825 0.000 1.156 491 A CA -0.030 51.386 52.037 -1.035 0.000 0.683 491 A CB -0.365 18.032 19.000 -1.004 0.000 0.808 491 A HN 0.680 nan 8.150 nan 0.000 0.455 492 W N -0.928 120.164 121.300 -0.346 0.000 2.520 492 W HA 0.580 5.241 4.660 0.000 0.000 0.323 492 W C -0.508 176.033 176.519 0.037 0.000 1.062 492 W CA -0.862 56.371 57.345 -0.186 0.000 1.215 492 W CB 1.172 30.479 29.460 -0.255 0.000 1.340 492 W HN 0.072 nan 8.180 nan 0.000 0.516 493 L N 4.073 125.481 121.223 0.309 0.000 2.296 493 L HA 0.433 4.774 4.340 0.000 0.000 0.286 493 L C 0.070 177.057 176.870 0.195 0.000 1.023 493 L CA -0.963 54.002 54.840 0.209 0.000 0.812 493 L CB 0.974 43.078 42.059 0.075 0.000 1.223 493 L HN 0.334 nan 8.230 nan 0.000 0.421 494 K N 4.126 124.505 120.400 -0.036 0.000 2.363 494 K HA 0.233 4.554 4.320 0.000 0.000 0.289 494 K C 0.467 176.864 176.600 -0.338 0.000 1.063 494 K CA 0.200 56.161 56.287 -0.543 0.000 0.967 494 K CB 0.504 32.518 32.500 -0.811 0.000 0.987 494 K HN 0.715 nan 8.250 nan 0.000 0.473 495 V N 0.721 120.473 119.914 -0.270 0.000 3.605 495 V HA 0.443 4.563 4.120 0.000 0.000 0.284 495 V C 0.486 176.488 176.094 -0.153 0.000 1.386 495 V CA 0.324 62.523 62.300 -0.169 0.000 1.053 495 V CB 0.463 32.235 31.823 -0.086 0.000 0.857 495 V HN 0.688 nan 8.190 nan 0.000 0.436 496 G N -0.121 108.574 108.800 -0.174 0.000 2.608 496 G HA2 0.640 4.600 3.960 0.000 0.000 0.291 496 G HA3 0.640 4.600 3.960 0.000 0.000 0.291 496 G C -1.644 173.188 174.900 -0.114 0.000 1.425 496 G CA -1.165 43.862 45.100 -0.121 0.000 0.787 496 G HN 0.170 nan 8.290 nan 0.000 0.484 497 R N -0.643 119.777 120.500 -0.133 0.000 2.664 497 R HA 0.623 4.963 4.340 0.000 0.000 0.286 497 R C -0.623 175.557 176.300 -0.200 0.000 0.967 497 R CA -0.728 55.231 56.100 -0.235 0.000 0.933 497 R CB 2.486 32.656 30.300 -0.217 0.000 1.146 497 R HN 0.298 nan 8.270 nan 0.000 0.468 498 V N 2.752 122.515 119.914 -0.251 0.000 2.546 498 V HA 0.266 4.386 4.120 0.000 0.000 0.284 498 V C 0.739 176.748 176.094 -0.141 0.000 1.050 498 V CA -0.266 61.938 62.300 -0.159 0.000 0.981 498 V CB 1.283 33.019 31.823 -0.145 0.000 0.990 498 V HN 0.950 nan 8.190 nan 0.000 0.474 499 A N 0.000 122.764 122.820 -0.093 0.000 2.254 499 A HA 0.000 4.320 4.320 0.000 0.000 0.244 499 A CA 0.000 51.990 52.037 -0.078 0.000 0.836 499 A CB 0.000 18.968 19.000 -0.054 0.000 0.831 499 A HN 0.000 nan 8.150 nan 0.000 0.486