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 3a64_1_A DATA FIRST_RESID 13 DATA SEQUENCE VNPYIGRSPL VIKSYAEKLE ETIAYFEAQG DELNAARTRT VQGIPTFAWI DATA SEQUENCE SDSATIDTIQ PLIADAVAHQ EASGEQVLVQ LVIYNLPDRD cAAKASDGEF DATA SEQUENCE HLDDDGANKY RAYVDRIVAE LSTADADKLH FSIVLEPDSL GNMVTNMHVP DATA SEQUENCE KcQGAATAYK EGIAYTIASL QKPNIDLYID AAHGGWLGWN DNLRPSAEIF DATA SEQUENCE KETLDLARQI TPNATVRGLA INVSNYNPYK TRAREDYTEW NNAYDEWNYV DATA SEQUENCE KTLTPHLQAV GFPAQFIVDQ GRSGREGIRT EWGQWcNIRN AGFGIRPTTD DATA SEQUENCE QAIVDSANVD AIVWVKPGGE SDGTSDVNAV RFDENcRSPA SHVPAPEAGE DATA SEQUENCE WFNEFVVNLV INANPPLEPT Y 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 13 V HA 0.000 nan 4.120 nan 0.000 0.244 13 V C 0.000 176.107 176.094 0.022 0.000 1.182 13 V CA 0.000 62.301 62.300 0.002 0.000 1.235 13 V CB 0.000 31.818 31.823 -0.008 0.000 1.184 14 N N 6.104 124.833 118.700 0.047 0.000 2.416 14 N HA 0.269 5.009 4.740 0.001 0.000 0.271 14 N C -1.328 174.228 175.510 0.077 0.000 1.245 14 N CA -1.118 51.995 53.050 0.105 0.000 0.940 14 N CB 1.465 40.022 38.487 0.117 0.000 1.175 14 N HN 0.545 nan 8.380 nan 0.000 0.483 15 P HA -0.093 nan 4.420 nan 0.000 0.233 15 P C 0.579 177.757 177.300 -0.204 0.000 1.167 15 P CA 0.967 63.985 63.100 -0.136 0.000 0.770 15 P CB 0.035 31.667 31.700 -0.112 0.000 0.837 16 Y N -0.061 120.227 120.300 -0.020 0.000 2.457 16 Y HA 0.008 4.558 4.550 0.001 0.000 0.292 16 Y C 1.585 177.456 175.900 -0.048 0.000 1.125 16 Y CA -0.029 58.053 58.100 -0.029 0.000 1.254 16 Y CB -0.224 38.239 38.460 0.005 0.000 1.012 16 Y HN -0.158 nan 8.280 nan 0.000 0.555 17 I N 0.838 121.452 120.570 0.073 0.000 2.587 17 I HA 0.016 4.186 4.170 0.001 0.000 0.284 17 I C 1.438 177.543 176.117 -0.021 0.000 1.134 17 I CA 0.854 62.173 61.300 0.031 0.000 1.410 17 I CB -0.087 37.928 38.000 0.024 0.000 1.392 17 I HN 0.517 nan 8.210 nan 0.000 0.545 18 G N 6.581 115.371 108.800 -0.015 0.000 2.205 18 G HA2 -0.264 3.697 3.960 0.001 0.000 0.261 18 G HA3 -0.264 3.697 3.960 0.001 0.000 0.261 18 G C 0.693 175.560 174.900 -0.055 0.000 0.980 18 G CA -0.247 44.831 45.100 -0.035 0.000 0.632 18 G HN 0.554 nan 8.290 nan 0.000 0.533 19 R N 0.265 120.722 120.500 -0.073 0.000 2.532 19 R HA 0.582 4.922 4.340 0.001 0.000 0.272 19 R C -0.455 175.800 176.300 -0.074 0.000 1.032 19 R CA -0.083 55.951 56.100 -0.110 0.000 1.089 19 R CB 1.079 31.254 30.300 -0.209 0.000 1.098 19 R HN 0.160 nan 8.270 nan 0.000 0.526 20 S N 2.984 118.636 115.700 -0.079 0.000 2.528 20 S HA 0.271 4.742 4.470 0.001 0.000 0.303 20 S C -2.385 172.171 174.600 -0.073 0.000 1.123 20 S CA -1.371 56.800 58.200 -0.048 0.000 1.138 20 S CB 1.392 64.586 63.200 -0.009 0.000 0.984 20 S HN 0.358 nan 8.310 nan 0.000 0.474 21 P HA 0.047 nan 4.420 nan 0.000 0.266 21 P C -0.343 176.892 177.300 -0.109 0.000 1.195 21 P CA -0.561 62.473 63.100 -0.111 0.000 0.768 21 P CB 0.388 32.065 31.700 -0.038 0.000 0.838 22 L N 4.930 126.069 121.223 -0.140 0.000 2.360 22 L HA 0.121 4.461 4.340 0.001 0.000 0.276 22 L C -0.473 176.333 176.870 -0.106 0.000 1.121 22 L CA -0.075 54.688 54.840 -0.129 0.000 0.845 22 L CB 0.450 42.431 42.059 -0.131 0.000 1.143 22 L HN 0.064 nan 8.230 nan 0.000 0.452 23 V N 6.808 126.650 119.914 -0.120 0.000 2.521 23 V HA 0.089 4.210 4.120 0.001 0.000 0.286 23 V C 0.500 176.581 176.094 -0.022 0.000 1.034 23 V CA -0.306 61.957 62.300 -0.060 0.000 1.045 23 V CB 0.710 32.482 31.823 -0.085 0.000 0.974 23 V HN 0.457 nan 8.190 nan 0.000 0.480 24 I N 5.905 126.514 120.570 0.065 0.000 2.308 24 I HA 0.165 4.336 4.170 0.001 0.000 0.293 24 I C 1.316 177.510 176.117 0.128 0.000 1.078 24 I CA 0.215 61.577 61.300 0.102 0.000 1.292 24 I CB 0.404 38.500 38.000 0.159 0.000 1.423 24 I HN 0.740 nan 8.210 nan 0.000 0.493 25 K N 4.199 124.636 120.400 0.062 0.000 2.074 25 K HA -0.207 4.113 4.320 0.001 0.000 0.209 25 K C 1.945 178.574 176.600 0.049 0.000 1.048 25 K CA 2.124 58.434 56.287 0.038 0.000 0.926 25 K CB 0.302 32.809 32.500 0.013 0.000 0.713 25 K HN 0.727 nan 8.250 nan 0.000 0.444 26 S N -0.491 115.254 115.700 0.076 0.000 2.399 26 S HA -0.198 4.273 4.470 0.001 0.000 0.231 26 S C 1.962 176.602 174.600 0.068 0.000 1.022 26 S CA 0.935 59.172 58.200 0.060 0.000 0.983 26 S CB -0.592 62.659 63.200 0.085 0.000 0.803 26 S HN 0.514 nan 8.310 nan 0.000 0.480 27 Y N 2.528 122.847 120.300 0.032 0.000 2.206 27 Y HA 0.245 4.796 4.550 0.001 0.000 0.292 27 Y C 2.629 178.531 175.900 0.003 0.000 1.123 27 Y CA 0.721 58.852 58.100 0.052 0.000 1.142 27 Y CB -0.974 37.583 38.460 0.162 0.000 1.006 27 Y HN 0.287 nan 8.280 nan 0.000 0.518 28 A N 0.487 123.303 122.820 -0.008 0.000 1.940 28 A HA -0.242 4.079 4.320 0.001 0.000 0.219 28 A C 2.037 179.512 177.584 -0.181 0.000 1.176 28 A CA 2.073 54.050 52.037 -0.100 0.000 0.631 28 A CB -0.755 18.252 19.000 0.012 0.000 0.814 28 A HN 0.673 nan 8.150 nan 0.000 0.446 29 E N -0.228 119.877 120.200 -0.159 0.000 2.110 29 E HA -0.194 4.156 4.350 0.001 0.000 0.193 29 E C 1.982 178.394 176.600 -0.313 0.000 0.988 29 E CA 1.372 57.667 56.400 -0.175 0.000 0.804 29 E CB -0.150 29.479 29.700 -0.120 0.000 0.745 29 E HN 0.633 nan 8.360 nan 0.000 0.458 30 K N 0.551 120.641 120.400 -0.517 0.000 2.147 30 K HA -0.107 4.214 4.320 0.001 0.000 0.205 30 K C 1.959 178.007 176.600 -0.920 0.000 1.049 30 K CA 0.828 56.532 56.287 -0.970 0.000 0.936 30 K CB -0.085 31.464 32.500 -1.584 0.000 0.722 30 K HN 0.115 nan 8.250 nan 0.000 0.446 31 L N 1.227 122.117 121.223 -0.554 0.000 2.549 31 L HA -0.107 4.233 4.340 0.001 0.000 0.229 31 L C 2.012 178.864 176.870 -0.029 0.000 1.158 31 L CA 0.505 55.266 54.840 -0.131 0.000 0.842 31 L CB -0.282 41.749 42.059 -0.047 0.000 0.952 31 L HN 0.139 nan 8.230 nan 0.000 0.452 32 E N 0.320 120.458 120.200 -0.104 0.000 2.153 32 E HA -0.278 4.073 4.350 0.001 0.000 0.194 32 E C 1.913 178.524 176.600 0.018 0.000 0.988 32 E CA 1.077 57.459 56.400 -0.030 0.000 0.811 32 E CB 0.036 29.702 29.700 -0.056 0.000 0.746 32 E HN 0.581 nan 8.360 nan 0.000 0.466 33 E N 0.238 120.433 120.200 -0.008 0.000 2.110 33 E HA -0.130 4.221 4.350 0.001 0.000 0.193 33 E C 1.598 178.294 176.600 0.161 0.000 0.988 33 E CA 1.483 57.928 56.400 0.076 0.000 0.804 33 E CB 0.177 29.924 29.700 0.077 0.000 0.745 33 E HN 0.114 nan 8.360 nan 0.000 0.458 34 T N 0.889 115.567 114.554 0.207 0.000 2.812 34 T HA -0.040 4.310 4.350 0.001 0.000 0.264 34 T C 1.900 176.742 174.700 0.236 0.000 1.042 34 T CA 0.955 63.174 62.100 0.197 0.000 1.140 34 T CB -0.121 68.928 68.868 0.300 0.000 0.870 34 T HN 0.157 nan 8.240 nan 0.000 0.445 35 I N 1.644 122.364 120.570 0.249 0.000 2.163 35 I HA -0.205 3.966 4.170 0.001 0.000 0.243 35 I C 2.967 179.213 176.117 0.216 0.000 1.085 35 I CA 1.232 62.691 61.300 0.265 0.000 1.347 35 I CB -0.492 37.608 38.000 0.166 0.000 1.044 35 I HN 0.198 nan 8.210 nan 0.000 0.408 36 A N 0.102 123.012 122.820 0.151 0.000 1.940 36 A HA -0.296 4.025 4.320 0.001 0.000 0.219 36 A C 2.295 179.946 177.584 0.111 0.000 1.176 36 A CA 1.756 53.861 52.037 0.113 0.000 0.631 36 A CB -1.082 17.971 19.000 0.088 0.000 0.814 36 A HN 0.573 nan 8.150 nan 0.000 0.446 37 Y N -0.631 119.666 120.300 -0.006 0.000 2.114 37 Y HA -0.227 4.324 4.550 0.001 0.000 0.284 37 Y C 1.921 177.790 175.900 -0.051 0.000 1.143 37 Y CA 2.075 60.124 58.100 -0.086 0.000 1.135 37 Y CB -0.492 37.832 38.460 -0.227 0.000 0.980 37 Y HN 0.245 nan 8.280 nan 0.000 0.499 38 F N 1.099 121.090 119.950 0.068 0.000 2.171 38 F HA -0.127 4.400 4.527 0.001 0.000 0.300 38 F C 2.337 178.091 175.800 -0.077 0.000 1.090 38 F CA 1.775 59.751 58.000 -0.040 0.000 1.293 38 F CB -0.786 38.286 39.000 0.119 0.000 1.013 38 F HN 0.166 nan 8.300 nan 0.000 0.486 39 E N -0.149 120.148 120.200 0.162 0.000 2.077 39 E HA -0.180 4.171 4.350 0.001 0.000 0.193 39 E C 2.346 178.955 176.600 0.016 0.000 0.989 39 E CA 1.058 57.511 56.400 0.088 0.000 0.800 39 E CB -0.340 29.412 29.700 0.087 0.000 0.746 39 E HN 0.336 nan 8.360 nan 0.000 0.452 40 A N 0.860 123.656 122.820 -0.040 0.000 2.121 40 A HA -0.140 4.180 4.320 0.001 0.000 0.218 40 A C 1.863 179.373 177.584 -0.123 0.000 1.154 40 A CA 0.900 52.892 52.037 -0.076 0.000 0.679 40 A CB -0.011 18.940 19.000 -0.082 0.000 0.795 40 A HN 0.087 nan 8.150 nan 0.000 0.458 41 Q N -1.272 118.420 119.800 -0.180 0.000 2.360 41 Q HA 0.147 4.487 4.340 0.001 0.000 0.202 41 Q C 1.068 177.048 176.000 -0.033 0.000 0.915 41 Q CA 0.665 56.379 55.803 -0.148 0.000 0.943 41 Q CB 0.101 28.703 28.738 -0.227 0.000 1.064 41 Q HN 0.903 nan 8.270 nan 0.000 0.511 42 G N 2.447 111.243 108.800 -0.006 0.000 2.221 42 G HA2 -0.230 3.730 3.960 0.001 0.000 0.265 42 G HA3 -0.230 3.730 3.960 0.001 0.000 0.265 42 G C -0.336 174.588 174.900 0.040 0.000 1.041 42 G CA 0.471 45.583 45.100 0.019 0.000 0.807 42 G HN 0.300 nan 8.290 nan 0.000 0.502 43 D N 0.056 120.496 120.400 0.067 0.000 2.485 43 D HA 0.387 5.028 4.640 0.001 0.000 0.256 43 D C 1.439 177.770 176.300 0.052 0.000 1.141 43 D CA -0.643 53.396 54.000 0.064 0.000 0.942 43 D CB 0.439 41.311 40.800 0.120 0.000 1.003 43 D HN 0.192 nan 8.370 nan 0.000 0.507 44 E N 1.620 121.863 120.200 0.071 0.000 2.150 44 E HA -0.124 4.227 4.350 0.001 0.000 0.193 44 E C 1.737 178.407 176.600 0.116 0.000 0.985 44 E CA 0.308 56.782 56.400 0.123 0.000 0.814 44 E CB 0.262 30.062 29.700 0.168 0.000 0.752 44 E HN 0.414 nan 8.360 nan 0.000 0.466 45 L N 1.674 122.939 121.223 0.071 0.000 2.017 45 L HA -0.149 4.192 4.340 0.001 0.000 0.208 45 L C 1.477 178.226 176.870 -0.201 0.000 1.073 45 L CA 1.906 56.737 54.840 -0.014 0.000 0.745 45 L CB -0.703 41.367 42.059 0.019 0.000 0.894 45 L HN 0.016 nan 8.230 nan 0.000 0.432 46 N N -0.677 117.819 118.700 -0.339 0.000 2.244 46 N HA -0.088 4.652 4.740 0.001 0.000 0.183 46 N C 1.847 177.025 175.510 -0.553 0.000 1.016 46 N CA 0.937 53.553 53.050 -0.723 0.000 0.866 46 N CB -0.231 37.318 38.487 -1.565 0.000 0.980 46 N HN 0.510 nan 8.380 nan 0.000 0.430 47 A N 1.186 123.883 122.820 -0.205 0.000 1.883 47 A HA -0.088 4.232 4.320 0.001 0.000 0.217 47 A C 2.303 179.888 177.584 0.000 0.000 1.186 47 A CA 1.835 53.923 52.037 0.085 0.000 0.624 47 A CB -0.924 18.160 19.000 0.141 0.000 0.822 47 A HN 0.345 nan 8.150 nan 0.000 0.444 48 A N -0.589 122.158 122.820 -0.123 0.000 1.969 48 A HA -0.098 4.223 4.320 0.001 0.000 0.218 48 A C 2.219 179.676 177.584 -0.212 0.000 1.169 48 A CA 1.372 53.260 52.037 -0.249 0.000 0.635 48 A CB -0.396 18.183 19.000 -0.701 0.000 0.810 48 A HN 0.548 nan 8.150 nan 0.000 0.445 49 R N -0.851 119.536 120.500 -0.189 0.000 2.092 49 R HA -0.064 4.277 4.340 0.001 0.000 0.231 49 R C 2.126 178.426 176.300 -0.000 0.000 1.119 49 R CA 1.718 57.755 56.100 -0.103 0.000 0.970 49 R CB -0.555 29.689 30.300 -0.094 0.000 0.864 49 R HN 0.510 nan 8.270 nan 0.000 0.440 50 T N 0.566 115.155 114.554 0.058 0.000 2.821 50 T HA -0.080 4.271 4.350 0.001 0.000 0.267 50 T C 1.714 176.474 174.700 0.099 0.000 1.046 50 T CA 0.969 63.172 62.100 0.173 0.000 1.139 50 T CB -0.088 68.973 68.868 0.321 0.000 0.871 50 T HN 0.261 nan 8.240 nan 0.000 0.454 51 R N 0.732 121.259 120.500 0.046 0.000 2.091 51 R HA -0.087 4.253 4.340 0.001 0.000 0.238 51 R C 2.705 179.001 176.300 -0.007 0.000 1.136 51 R CA 1.643 57.752 56.100 0.016 0.000 0.959 51 R CB -0.845 29.452 30.300 -0.006 0.000 0.856 51 R HN 0.343 nan 8.270 nan 0.000 0.437 52 T N 0.882 115.417 114.554 -0.032 0.000 2.684 52 T HA -0.112 4.238 4.350 0.001 0.000 0.267 52 T C 2.015 176.690 174.700 -0.043 0.000 1.036 52 T CA 1.470 63.541 62.100 -0.049 0.000 1.148 52 T CB -0.216 68.612 68.868 -0.067 0.000 0.863 52 T HN 0.016 nan 8.240 nan 0.000 0.436 53 V N 1.673 121.579 119.914 -0.012 0.000 2.392 53 V HA -0.229 3.892 4.120 0.001 0.000 0.249 53 V C 2.582 178.722 176.094 0.076 0.000 1.059 53 V CA 1.609 63.910 62.300 0.001 0.000 1.051 53 V CB -0.765 31.067 31.823 0.015 0.000 0.658 53 V HN 0.544 nan 8.190 nan 0.000 0.455 54 Q N 0.099 119.936 119.800 0.062 0.000 2.234 54 Q HA -0.152 4.189 4.340 0.001 0.000 0.206 54 Q C 2.097 178.120 176.000 0.039 0.000 0.980 54 Q CA 1.520 57.356 55.803 0.055 0.000 0.869 54 Q CB -0.344 28.406 28.738 0.020 0.000 0.912 54 Q HN 0.725 nan 8.270 nan 0.000 0.436 55 G N -0.298 108.500 108.800 -0.003 0.000 3.189 55 G HA2 0.207 4.168 3.960 0.001 0.000 0.225 55 G HA3 0.207 4.168 3.960 0.001 0.000 0.225 55 G C 0.314 175.168 174.900 -0.077 0.000 1.159 55 G CA -0.318 44.760 45.100 -0.037 0.000 0.763 55 G HN 0.084 nan 8.290 nan 0.000 0.549 56 I N 2.704 123.220 120.570 -0.090 0.000 2.331 56 I HA 0.252 4.422 4.170 0.001 0.000 0.292 56 I C -1.915 174.126 176.117 -0.126 0.000 0.998 56 I CA -2.346 58.819 61.300 -0.225 0.000 1.267 56 I CB 1.901 39.605 38.000 -0.492 0.000 1.386 56 I HN -0.079 nan 8.210 nan 0.000 0.476 57 P HA 0.140 nan 4.420 nan 0.000 0.271 57 P C -0.550 176.755 177.300 0.008 0.000 1.218 57 P CA -0.040 63.021 63.100 -0.066 0.000 0.780 57 P CB 0.855 32.502 31.700 -0.088 0.000 0.901 58 T N -1.252 113.343 114.554 0.069 0.000 2.838 58 T HA 0.602 4.953 4.350 0.001 0.000 0.292 58 T C -0.498 174.309 174.700 0.179 0.000 1.113 58 T CA -0.649 61.565 62.100 0.190 0.000 1.008 58 T CB 0.637 69.529 68.868 0.040 0.000 1.259 58 T HN 0.021 nan 8.240 nan 0.000 0.520 59 F N 1.192 121.224 119.950 0.137 0.000 2.384 59 F HA 0.625 5.153 4.527 0.001 0.000 0.338 59 F C 0.918 176.838 175.800 0.201 0.000 1.103 59 F CA -0.648 57.417 58.000 0.109 0.000 1.157 59 F CB 1.018 40.017 39.000 -0.001 0.000 1.167 59 F HN 0.894 nan 8.300 nan 0.000 0.529 60 A N 4.089 127.069 122.820 0.268 0.000 2.276 60 A HA 0.432 4.753 4.320 0.001 0.000 0.300 60 A C -1.445 176.343 177.584 0.340 0.000 1.235 60 A CA -0.459 51.765 52.037 0.312 0.000 0.867 60 A CB -0.104 19.011 19.000 0.193 0.000 1.137 60 A HN 0.723 nan 8.150 nan 0.000 0.527 61 W N 2.200 123.619 121.300 0.199 0.000 2.316 61 W HA 0.527 5.188 4.660 0.001 0.000 0.311 61 W C -0.070 176.568 176.519 0.199 0.000 1.217 61 W CA -0.370 57.100 57.345 0.208 0.000 1.199 61 W CB 0.803 30.378 29.460 0.192 0.000 1.202 61 W HN 0.424 nan 8.180 nan 0.000 0.528 62 I N 3.557 124.360 120.570 0.388 0.000 2.479 62 I HA 0.113 4.284 4.170 0.001 0.000 0.279 62 I C 0.569 176.934 176.117 0.413 0.000 1.102 62 I CA -0.063 61.439 61.300 0.337 0.000 1.196 62 I CB 0.280 38.422 38.000 0.237 0.000 1.427 62 I HN 0.346 nan 8.210 nan 0.000 0.503 63 S N 2.679 118.600 115.700 0.368 0.000 2.540 63 S HA 0.129 4.600 4.470 0.001 0.000 0.218 63 S C -0.089 174.528 174.600 0.028 0.000 0.977 63 S CA -0.271 58.089 58.200 0.267 0.000 0.918 63 S CB -0.307 63.100 63.200 0.345 0.000 0.806 63 S HN 0.840 nan 8.310 nan 0.000 0.496 64 D N -1.801 118.651 120.400 0.086 0.000 2.639 64 D HA 0.344 4.984 4.640 0.001 0.000 0.271 64 D C 0.251 176.634 176.300 0.139 0.000 1.254 64 D CA -0.681 53.294 54.000 -0.043 0.000 0.810 64 D CB 0.313 41.072 40.800 -0.068 0.000 1.351 64 D HN -0.248 nan 8.370 nan 0.000 0.427 65 S N -0.652 115.100 115.700 0.087 0.000 2.406 65 S HA -0.003 4.468 4.470 0.001 0.000 0.228 65 S C 1.983 176.677 174.600 0.157 0.000 1.020 65 S CA 0.984 59.330 58.200 0.244 0.000 0.965 65 S CB -0.514 62.828 63.200 0.236 0.000 0.798 65 S HN 0.629 nan 8.310 nan 0.000 0.488 66 A N 1.317 124.195 122.820 0.097 0.000 1.978 66 A HA -0.118 4.203 4.320 0.001 0.000 0.220 66 A C 2.192 179.830 177.584 0.091 0.000 1.170 66 A CA 1.902 53.987 52.037 0.080 0.000 0.636 66 A CB -1.140 17.895 19.000 0.058 0.000 0.810 66 A HN 0.468 nan 8.150 nan 0.000 0.448 67 T N 0.256 114.878 114.554 0.115 0.000 3.035 67 T HA 0.019 4.370 4.350 0.001 0.000 0.268 67 T C 1.574 176.340 174.700 0.110 0.000 1.109 67 T CA 0.973 63.147 62.100 0.124 0.000 1.119 67 T CB -0.409 68.556 68.868 0.161 0.000 0.900 67 T HN 0.483 nan 8.240 nan 0.000 0.503 68 I N 1.548 122.179 120.570 0.103 0.000 2.335 68 I HA -0.182 3.989 4.170 0.001 0.000 0.251 68 I C 1.968 178.111 176.117 0.045 0.000 1.129 68 I CA 1.029 62.361 61.300 0.053 0.000 1.402 68 I CB -0.362 37.654 38.000 0.025 0.000 1.069 68 I HN 0.119 nan 8.210 nan 0.000 0.424 69 D N 0.350 120.783 120.400 0.055 0.000 2.263 69 D HA -0.148 4.493 4.640 0.001 0.000 0.208 69 D C 2.224 178.553 176.300 0.049 0.000 0.971 69 D CA 1.794 55.822 54.000 0.046 0.000 0.867 69 D CB -0.254 40.575 40.800 0.048 0.000 0.929 69 D HN 0.437 nan 8.370 nan 0.000 0.492 70 T N -2.210 112.381 114.554 0.061 0.000 3.081 70 T HA 0.091 4.442 4.350 0.001 0.000 0.255 70 T C 2.117 176.856 174.700 0.065 0.000 1.113 70 T CA 0.014 62.154 62.100 0.066 0.000 1.082 70 T CB -0.199 68.721 68.868 0.086 0.000 0.939 70 T HN 0.105 nan 8.240 nan 0.000 0.506 71 I N 0.681 121.285 120.570 0.057 0.000 2.233 71 I HA -0.075 4.096 4.170 0.001 0.000 0.243 71 I C 2.936 179.087 176.117 0.056 0.000 1.093 71 I CA 1.101 62.436 61.300 0.057 0.000 1.380 71 I CB -0.362 37.656 38.000 0.029 0.000 1.067 71 I HN 0.224 nan 8.210 nan 0.000 0.413 72 Q N 1.022 120.846 119.800 0.040 0.000 2.084 72 Q HA -0.125 4.216 4.340 0.001 0.000 0.202 72 Q C -0.578 175.448 176.000 0.042 0.000 0.978 72 Q CA 1.959 57.786 55.803 0.039 0.000 0.844 72 Q CB -1.210 27.542 28.738 0.024 0.000 0.898 72 Q HN 0.276 nan 8.270 nan 0.000 0.426 73 P HA -0.148 nan 4.420 nan 0.000 0.216 73 P C 1.101 178.426 177.300 0.042 0.000 1.150 73 P CA 0.835 63.958 63.100 0.038 0.000 0.837 73 P CB -0.049 31.673 31.700 0.037 0.000 0.786 74 L N -0.904 120.351 121.223 0.052 0.000 2.046 74 L HA -0.114 4.227 4.340 0.001 0.000 0.208 74 L C 2.186 179.085 176.870 0.050 0.000 1.077 74 L CA 1.734 56.606 54.840 0.053 0.000 0.747 74 L CB -1.038 41.063 42.059 0.071 0.000 0.896 74 L HN -0.136 nan 8.230 nan 0.000 0.432 75 I N -0.572 120.039 120.570 0.069 0.000 2.226 75 I HA -0.287 3.884 4.170 0.001 0.000 0.245 75 I C 2.570 178.714 176.117 0.045 0.000 1.100 75 I CA 1.154 62.499 61.300 0.075 0.000 1.374 75 I CB -0.542 37.532 38.000 0.123 0.000 1.057 75 I HN 0.369 nan 8.210 nan 0.000 0.413 76 A N 0.404 123.248 122.820 0.041 0.000 1.902 76 A HA -0.251 4.069 4.320 0.001 0.000 0.217 76 A C 1.954 179.556 177.584 0.029 0.000 1.181 76 A CA 2.108 54.164 52.037 0.031 0.000 0.623 76 A CB -0.614 18.402 19.000 0.028 0.000 0.818 76 A HN 0.334 nan 8.150 nan 0.000 0.443 77 D N 0.028 120.446 120.400 0.031 0.000 2.117 77 D HA -0.065 4.576 4.640 0.001 0.000 0.197 77 D C 2.244 178.570 176.300 0.044 0.000 0.987 77 D CA 1.557 55.577 54.000 0.032 0.000 0.829 77 D CB -0.439 40.374 40.800 0.023 0.000 0.961 77 D HN 0.419 nan 8.370 nan 0.000 0.460 78 A N 0.456 123.292 122.820 0.028 0.000 1.902 78 A HA -0.138 4.183 4.320 0.001 0.000 0.217 78 A C 2.529 180.135 177.584 0.037 0.000 1.181 78 A CA 1.249 53.301 52.037 0.025 0.000 0.623 78 A CB -0.718 18.261 19.000 -0.035 0.000 0.818 78 A HN 0.153 nan 8.150 nan 0.000 0.443 79 V N -0.185 119.739 119.914 0.016 0.000 2.358 79 V HA -0.226 3.895 4.120 0.001 0.000 0.246 79 V C 3.061 179.161 176.094 0.010 0.000 1.047 79 V CA 1.840 64.142 62.300 0.004 0.000 1.035 79 V CB -1.215 30.610 31.823 0.005 0.000 0.658 79 V HN 0.618 nan 8.190 nan 0.000 0.452 80 A N -0.337 122.500 122.820 0.028 0.000 1.908 80 A HA -0.331 3.990 4.320 0.001 0.000 0.218 80 A C 2.119 179.723 177.584 0.035 0.000 1.181 80 A CA 2.492 54.545 52.037 0.027 0.000 0.627 80 A CB -0.873 18.149 19.000 0.036 0.000 0.818 80 A HN 0.753 nan 8.150 nan 0.000 0.445 81 H N -0.593 118.462 119.070 -0.024 0.000 2.353 81 H HA -0.137 4.420 4.556 0.001 0.000 0.300 81 H C 2.151 177.458 175.328 -0.035 0.000 1.090 81 H CA 2.106 58.136 56.048 -0.029 0.000 1.327 81 H CB -0.245 29.498 29.762 -0.033 0.000 1.383 81 H HN 0.611 nan 8.280 nan 0.000 0.508 82 Q N -0.042 119.695 119.800 -0.105 0.000 2.061 82 Q HA -0.175 4.166 4.340 0.001 0.000 0.204 82 Q C 1.960 177.868 176.000 -0.153 0.000 0.984 82 Q CA 1.825 57.537 55.803 -0.152 0.000 0.846 82 Q CB 0.112 28.808 28.738 -0.071 0.000 0.902 82 Q HN 0.537 nan 8.270 nan 0.000 0.421 83 E N 0.100 120.240 120.200 -0.099 0.000 2.077 83 E HA -0.177 4.174 4.350 0.001 0.000 0.193 83 E C 1.899 178.441 176.600 -0.097 0.000 0.989 83 E CA 1.152 57.505 56.400 -0.078 0.000 0.800 83 E CB -0.305 29.368 29.700 -0.045 0.000 0.746 83 E HN 0.495 nan 8.360 nan 0.000 0.452 84 A N 1.451 124.201 122.820 -0.116 0.000 1.898 84 A HA -0.148 4.173 4.320 0.001 0.000 0.216 84 A C 2.380 179.873 177.584 -0.151 0.000 1.181 84 A CA 2.227 54.199 52.037 -0.108 0.000 0.620 84 A CB -0.349 18.605 19.000 -0.076 0.000 0.819 84 A HN 0.333 nan 8.150 nan 0.000 0.442 85 S N -2.662 112.875 115.700 -0.272 0.000 2.492 85 S HA 0.385 4.855 4.470 0.001 0.000 0.218 85 S C 1.506 176.000 174.600 -0.176 0.000 1.016 85 S CA 1.157 59.195 58.200 -0.270 0.000 0.916 85 S CB -0.119 62.767 63.200 -0.523 0.000 0.791 85 S HN 1.923 nan 8.310 nan 0.000 0.513 86 G N 1.079 109.781 108.800 -0.162 0.000 2.148 86 G HA2 -0.259 3.702 3.960 0.001 0.000 0.254 86 G HA3 -0.259 3.702 3.960 0.001 0.000 0.254 86 G C -0.180 174.658 174.900 -0.103 0.000 0.981 86 G CA 0.397 45.432 45.100 -0.109 0.000 0.670 86 G HN 0.623 nan 8.290 nan 0.000 0.528 87 E N -0.336 119.782 120.200 -0.136 0.000 2.345 87 E HA 0.446 4.796 4.350 0.001 0.000 0.259 87 E C 0.411 176.961 176.600 -0.082 0.000 1.117 87 E CA -0.310 56.032 56.400 -0.096 0.000 0.913 87 E CB 0.414 30.065 29.700 -0.082 0.000 1.057 87 E HN 0.439 nan 8.360 nan 0.000 0.432 88 Q N 1.136 120.893 119.800 -0.072 0.000 2.456 88 Q HA 0.229 4.570 4.340 0.001 0.000 0.234 88 Q C -1.044 174.903 176.000 -0.090 0.000 1.061 88 Q CA -0.395 55.360 55.803 -0.081 0.000 0.896 88 Q CB 1.098 29.782 28.738 -0.090 0.000 1.233 88 Q HN 0.193 nan 8.270 nan 0.000 0.506 89 V N 3.467 123.331 119.914 -0.083 0.000 2.572 89 V HA 0.054 4.175 4.120 0.001 0.000 0.291 89 V C -0.251 175.741 176.094 -0.169 0.000 1.039 89 V CA -0.216 62.030 62.300 -0.089 0.000 1.055 89 V CB 0.761 32.556 31.823 -0.047 0.000 0.969 89 V HN 0.522 nan 8.190 nan 0.000 0.482 90 L N 7.256 128.360 121.223 -0.198 0.000 2.318 90 L HA 0.516 4.856 4.340 0.001 0.000 0.277 90 L C -0.300 176.391 176.870 -0.298 0.000 1.008 90 L CA 0.083 54.763 54.840 -0.266 0.000 0.846 90 L CB 1.504 43.367 42.059 -0.327 0.000 1.220 90 L HN 0.423 nan 8.230 nan 0.000 0.423 91 V N 5.253 124.930 119.914 -0.395 0.000 2.455 91 V HA 0.298 4.418 4.120 0.001 0.000 0.273 91 V C 0.162 176.117 176.094 -0.230 0.000 1.045 91 V CA -0.326 61.783 62.300 -0.318 0.000 0.976 91 V CB 0.846 32.423 31.823 -0.411 0.000 0.993 91 V HN 0.724 nan 8.190 nan 0.000 0.475 92 Q N 5.551 125.145 119.800 -0.343 0.000 2.325 92 Q HA 0.695 5.035 4.340 0.001 0.000 0.262 92 Q C -1.107 174.662 176.000 -0.385 0.000 0.968 92 Q CA -0.351 55.036 55.803 -0.692 0.000 0.877 92 Q CB 2.096 29.842 28.738 -1.654 0.000 1.253 92 Q HN 0.622 nan 8.270 nan 0.000 0.448 93 L N 1.745 122.958 121.223 -0.017 0.000 2.354 93 L HA 0.703 5.044 4.340 0.001 0.000 0.264 93 L C -0.703 176.315 176.870 0.246 0.000 1.008 93 L CA -1.297 53.638 54.840 0.158 0.000 0.819 93 L CB 2.133 44.268 42.059 0.127 0.000 1.339 93 L HN 0.285 nan 8.230 nan 0.000 0.420 94 V N 2.837 122.769 119.914 0.030 0.000 2.448 94 V HA 0.453 4.573 4.120 0.001 0.000 0.295 94 V C -0.086 176.006 176.094 -0.003 0.000 1.025 94 V CA -0.391 61.782 62.300 -0.212 0.000 0.859 94 V CB 2.018 33.240 31.823 -1.001 0.000 0.988 94 V HN 0.481 nan 8.190 nan 0.000 0.431 95 I N 5.200 125.813 120.570 0.071 0.000 2.321 95 I HA 0.361 4.531 4.170 0.001 0.000 0.291 95 I C -1.033 175.293 176.117 0.349 0.000 0.998 95 I CA -0.437 61.007 61.300 0.239 0.000 1.227 95 I CB 0.927 39.051 38.000 0.207 0.000 1.368 95 I HN 0.671 nan 8.210 nan 0.000 0.466 96 Y N 7.386 127.844 120.300 0.263 0.000 2.520 96 Y HA 0.362 4.913 4.550 0.001 0.000 0.339 96 Y C -0.559 175.420 175.900 0.133 0.000 1.113 96 Y CA -0.983 57.229 58.100 0.186 0.000 1.255 96 Y CB 0.315 38.920 38.460 0.240 0.000 1.099 96 Y HN 0.586 nan 8.280 nan 0.000 0.628 97 N N 3.268 122.006 118.700 0.063 0.000 2.330 97 N HA 0.176 4.917 4.740 0.001 0.000 0.249 97 N C -1.077 174.405 175.510 -0.047 0.000 1.413 97 N CA -0.005 52.918 53.050 -0.212 0.000 0.817 97 N CB 0.322 38.404 38.487 -0.676 0.000 1.362 97 N HN 0.545 nan 8.380 nan 0.000 0.499 98 L N 1.997 123.086 121.223 -0.223 0.000 2.529 98 L HA 0.152 4.493 4.340 0.001 0.000 0.287 98 L C -1.582 175.160 176.870 -0.213 0.000 1.241 98 L CA -0.762 53.753 54.840 -0.542 0.000 0.857 98 L CB 0.173 41.865 42.059 -0.611 0.000 1.113 98 L HN 0.094 nan 8.230 nan 0.000 0.504 99 P HA 0.008 nan 4.420 nan 0.000 0.271 99 P C -0.655 176.696 177.300 0.085 0.000 1.218 99 P CA -0.122 62.998 63.100 0.034 0.000 0.780 99 P CB 0.570 32.295 31.700 0.042 0.000 0.901 100 D N -1.059 119.372 120.400 0.052 0.000 2.708 100 D HA -0.192 4.449 4.640 0.001 0.000 0.236 100 D C 0.466 176.878 176.300 0.187 0.000 1.146 100 D CA 0.953 55.020 54.000 0.112 0.000 0.662 100 D CB -1.235 39.627 40.800 0.104 0.000 1.059 100 D HN 0.459 nan 8.370 nan 0.000 0.428 101 R N 0.812 121.344 120.500 0.052 0.000 2.698 101 R HA 0.037 4.377 4.340 0.001 0.000 0.266 101 R C 0.221 176.580 176.300 0.099 0.000 1.026 101 R CA 0.393 56.496 56.100 0.006 0.000 1.102 101 R CB 0.415 30.600 30.300 -0.191 0.000 0.978 101 R HN 0.155 nan 8.270 nan 0.000 0.436 102 D N 1.738 122.232 120.400 0.156 0.000 2.705 102 D HA -0.180 4.460 4.640 0.001 0.000 0.240 102 D C 1.243 177.635 176.300 0.153 0.000 1.137 102 D CA 0.974 55.071 54.000 0.162 0.000 0.677 102 D CB -1.652 39.202 40.800 0.089 0.000 1.049 102 D HN 0.766 nan 8.370 nan 0.000 0.427 103 c N -1.148 117.590 118.600 0.230 0.000 2.419 103 c HA 0.174 4.745 4.570 0.001 0.000 0.281 103 c C 2.492 176.602 174.090 0.032 0.000 1.336 103 c CA 0.856 57.246 56.329 0.102 0.000 1.770 103 c CB -0.758 41.753 42.510 0.002 0.000 1.929 103 c HN 0.605 nan 8.230 nan 0.000 0.509 104 A N 0.627 123.472 122.820 0.042 0.000 2.238 104 A HA 0.648 4.969 4.320 0.001 0.000 0.210 104 A C 1.378 178.948 177.584 -0.024 0.000 1.179 104 A CA 0.688 52.714 52.037 -0.020 0.000 0.827 104 A CB -0.624 18.358 19.000 -0.031 0.000 0.856 104 A HN 0.873 nan 8.150 nan 0.000 0.488 105 A N -0.079 122.740 122.820 -0.002 0.000 2.351 105 A HA 0.425 4.746 4.320 0.001 0.000 0.257 105 A C 1.208 178.797 177.584 0.008 0.000 1.087 105 A CA 0.140 52.174 52.037 -0.004 0.000 0.798 105 A CB 0.333 19.330 19.000 -0.005 0.000 1.033 105 A HN 0.372 nan 8.150 nan 0.000 0.488 106 K N 0.338 120.745 120.400 0.013 0.000 2.147 106 K HA 0.045 4.366 4.320 0.001 0.000 0.205 106 K C 0.500 177.111 176.600 0.019 0.000 1.049 106 K CA 1.552 57.846 56.287 0.013 0.000 0.936 106 K CB -0.109 32.397 32.500 0.010 0.000 0.722 106 K HN 0.859 nan 8.250 nan 0.000 0.446 107 A N -0.318 122.516 122.820 0.024 0.000 2.539 107 A HA 0.546 4.866 4.320 0.001 0.000 0.296 107 A C -1.300 176.302 177.584 0.030 0.000 1.073 107 A CA -0.676 51.379 52.037 0.030 0.000 0.700 107 A CB 2.038 21.055 19.000 0.029 0.000 1.296 107 A HN 0.063 nan 8.150 nan 0.000 0.405 108 S N -0.494 115.225 115.700 0.032 0.000 2.540 108 S HA 0.470 4.941 4.470 0.001 0.000 0.275 108 S C -0.755 173.843 174.600 -0.004 0.000 1.123 108 S CA -0.434 57.772 58.200 0.010 0.000 0.907 108 S CB 1.692 64.894 63.200 0.003 0.000 1.081 108 S HN 0.615 nan 8.310 nan 0.000 0.476 109 D N 2.660 123.035 120.400 -0.041 0.000 2.340 109 D HA 0.166 4.807 4.640 0.001 0.000 0.220 109 D C 0.999 177.205 176.300 -0.157 0.000 1.039 109 D CA 0.155 54.115 54.000 -0.067 0.000 0.866 109 D CB 0.109 40.879 40.800 -0.050 0.000 0.913 109 D HN 0.724 nan 8.370 nan 0.000 0.523 110 G N 1.709 110.378 108.800 -0.219 0.000 2.353 110 G HA2 -0.079 3.881 3.960 0.001 0.000 0.239 110 G HA3 -0.079 3.881 3.960 0.001 0.000 0.239 110 G C 1.009 175.669 174.900 -0.401 0.000 1.295 110 G CA -0.169 44.720 45.100 -0.351 0.000 0.884 110 G HN 0.255 nan 8.290 nan 0.000 0.537 111 E N 1.249 121.110 120.200 -0.566 0.000 2.442 111 E HA 0.048 4.399 4.350 0.001 0.000 0.195 111 E C -0.539 175.724 176.600 -0.561 0.000 1.030 111 E CA -0.024 56.051 56.400 -0.541 0.000 0.869 111 E CB 0.109 29.473 29.700 -0.561 0.000 0.857 111 E HN 0.281 nan 8.360 nan 0.000 0.505 112 F N 1.810 121.510 119.950 -0.417 0.000 2.443 112 F HA 0.427 4.954 4.527 0.001 0.000 0.335 112 F C 0.349 175.806 175.800 -0.572 0.000 1.104 112 F CA -1.137 56.653 58.000 -0.351 0.000 1.013 112 F CB 1.093 39.996 39.000 -0.161 0.000 1.136 112 F HN -0.039 nan 8.300 nan 0.000 0.470 113 H N 4.101 123.291 119.070 0.200 0.000 2.589 113 H HA 0.321 4.877 4.556 0.001 0.000 0.351 113 H C 0.874 176.245 175.328 0.071 0.000 1.074 113 H CA -0.574 55.535 56.048 0.101 0.000 1.203 113 H CB 2.287 32.089 29.762 0.066 0.000 1.558 113 H HN 0.551 nan 8.280 nan 0.000 0.522 114 L N 1.042 122.352 121.223 0.145 0.000 2.081 114 L HA -0.227 4.113 4.340 0.001 0.000 0.212 114 L C 1.885 178.795 176.870 0.067 0.000 1.080 114 L CA 1.704 56.590 54.840 0.076 0.000 0.754 114 L CB -0.207 41.878 42.059 0.044 0.000 0.893 114 L HN 0.649 nan 8.230 nan 0.000 0.433 115 D N -1.861 118.588 120.400 0.083 0.000 2.363 115 D HA -0.150 4.491 4.640 0.001 0.000 0.226 115 D C 0.645 176.978 176.300 0.054 0.000 1.020 115 D CA 0.480 54.510 54.000 0.049 0.000 0.892 115 D CB -0.192 40.625 40.800 0.029 0.000 0.900 115 D HN 0.193 nan 8.370 nan 0.000 0.531 116 D N 0.279 120.735 120.400 0.093 0.000 2.963 116 D HA 0.132 4.773 4.640 0.001 0.000 0.361 116 D C -0.462 175.881 176.300 0.072 0.000 1.317 116 D CA -0.472 53.581 54.000 0.088 0.000 0.832 116 D CB -0.485 40.394 40.800 0.131 0.000 1.135 116 D HN -0.160 nan 8.370 nan 0.000 0.476 117 D N -0.508 119.912 120.400 0.033 0.000 2.945 117 D HA -0.169 4.472 4.640 0.001 0.000 0.225 117 D C 1.467 177.739 176.300 -0.047 0.000 1.158 117 D CA 1.166 55.161 54.000 -0.009 0.000 0.805 117 D CB -0.932 39.858 40.800 -0.016 0.000 1.098 117 D HN 0.501 nan 8.370 nan 0.000 0.426 118 G N -0.106 108.690 108.800 -0.008 0.000 2.422 118 G HA2 -0.034 3.927 3.960 0.001 0.000 0.218 118 G HA3 -0.034 3.927 3.960 0.001 0.000 0.218 118 G C 1.692 176.524 174.900 -0.113 0.000 1.146 118 G CA 1.450 46.525 45.100 -0.042 0.000 0.769 118 G HN 0.605 nan 8.290 nan 0.000 0.547 119 A N 1.330 124.116 122.820 -0.056 0.000 1.877 119 A HA -0.093 4.227 4.320 0.001 0.000 0.216 119 A C 2.304 179.838 177.584 -0.083 0.000 1.186 119 A CA 1.851 53.864 52.037 -0.041 0.000 0.620 119 A CB -0.436 18.547 19.000 -0.029 0.000 0.822 119 A HN 0.340 nan 8.150 nan 0.000 0.443 120 N N -0.020 118.607 118.700 -0.121 0.000 2.142 120 N HA -0.106 4.635 4.740 0.001 0.000 0.186 120 N C 1.620 177.001 175.510 -0.216 0.000 1.023 120 N CA 1.422 54.381 53.050 -0.152 0.000 0.852 120 N CB -0.330 38.088 38.487 -0.115 0.000 0.998 120 N HN 0.554 nan 8.380 nan 0.000 0.424 121 K N -0.134 120.068 120.400 -0.330 0.000 2.097 121 K HA -0.159 4.162 4.320 0.001 0.000 0.206 121 K C 1.941 178.070 176.600 -0.784 0.000 1.049 121 K CA 0.918 56.839 56.287 -0.611 0.000 0.933 121 K CB -0.249 31.707 32.500 -0.907 0.000 0.717 121 K HN 0.195 nan 8.250 nan 0.000 0.442 122 Y N 1.905 121.754 120.300 -0.752 0.000 2.145 122 Y HA -0.189 4.362 4.550 0.001 0.000 0.286 122 Y C 2.114 178.023 175.900 0.015 0.000 1.145 122 Y CA 1.405 59.334 58.100 -0.285 0.000 1.148 122 Y CB 0.011 38.423 38.460 -0.080 0.000 0.981 122 Y HN -0.082 nan 8.280 nan 0.000 0.507 123 R N -0.145 120.294 120.500 -0.102 0.000 2.103 123 R HA -0.211 4.130 4.340 0.001 0.000 0.242 123 R C 2.441 178.702 176.300 -0.065 0.000 1.142 123 R CA 1.374 57.353 56.100 -0.202 0.000 0.960 123 R CB -0.728 29.263 30.300 -0.515 0.000 0.858 123 R HN 0.461 nan 8.270 nan 0.000 0.439 124 A N 0.322 123.088 122.820 -0.091 0.000 1.969 124 A HA -0.198 4.123 4.320 0.001 0.000 0.218 124 A C 1.966 179.564 177.584 0.025 0.000 1.169 124 A CA 1.069 53.089 52.037 -0.029 0.000 0.635 124 A CB -0.642 18.333 19.000 -0.043 0.000 0.810 124 A HN 0.530 nan 8.150 nan 0.000 0.445 125 Y N 0.619 120.861 120.300 -0.097 0.000 2.145 125 Y HA -0.191 4.359 4.550 0.001 0.000 0.286 125 Y C 2.124 177.969 175.900 -0.092 0.000 1.145 125 Y CA 2.064 60.155 58.100 -0.015 0.000 1.148 125 Y CB -0.441 38.113 38.460 0.156 0.000 0.981 125 Y HN 0.041 nan 8.280 nan 0.000 0.507 126 V N 1.149 120.908 119.914 -0.258 0.000 2.343 126 V HA -0.304 3.817 4.120 0.001 0.000 0.247 126 V C 2.011 177.988 176.094 -0.195 0.000 1.051 126 V CA 2.242 64.353 62.300 -0.316 0.000 1.036 126 V CB -0.722 31.016 31.823 -0.141 0.000 0.654 126 V HN 0.449 nan 8.190 nan 0.000 0.451 127 D N -0.166 120.199 120.400 -0.058 0.000 2.144 127 D HA -0.147 4.494 4.640 0.001 0.000 0.199 127 D C 2.398 178.644 176.300 -0.089 0.000 0.984 127 D CA 1.149 55.125 54.000 -0.041 0.000 0.834 127 D CB -0.235 40.579 40.800 0.024 0.000 0.955 127 D HN 0.425 nan 8.370 nan 0.000 0.465 128 R N 0.111 120.549 120.500 -0.105 0.000 2.075 128 R HA 0.029 4.369 4.340 0.001 0.000 0.232 128 R C 2.563 178.771 176.300 -0.153 0.000 1.126 128 R CA 0.547 56.588 56.100 -0.099 0.000 0.963 128 R CB -0.179 30.087 30.300 -0.056 0.000 0.858 128 R HN 0.231 nan 8.270 nan 0.000 0.435 129 I N 0.331 120.750 120.570 -0.252 0.000 2.226 129 I HA -0.264 3.907 4.170 0.001 0.000 0.245 129 I C 2.242 178.223 176.117 -0.225 0.000 1.100 129 I CA 1.134 62.276 61.300 -0.263 0.000 1.374 129 I CB -0.287 37.493 38.000 -0.368 0.000 1.057 129 I HN -0.031 nan 8.210 nan 0.000 0.413 130 V N 1.192 120.979 119.914 -0.213 0.000 2.287 130 V HA -0.339 3.781 4.120 0.001 0.000 0.248 130 V C 2.780 178.777 176.094 -0.161 0.000 1.053 130 V CA 2.075 64.257 62.300 -0.197 0.000 1.027 130 V CB -1.129 30.590 31.823 -0.173 0.000 0.646 130 V HN 0.516 nan 8.190 nan 0.000 0.447 131 A N -0.246 122.500 122.820 -0.122 0.000 1.892 131 A HA -0.247 4.074 4.320 0.001 0.000 0.218 131 A C 2.181 179.711 177.584 -0.091 0.000 1.188 131 A CA 1.934 53.917 52.037 -0.089 0.000 0.631 131 A CB -0.479 18.483 19.000 -0.064 0.000 0.822 131 A HN 0.546 nan 8.150 nan 0.000 0.447 132 E N -0.482 119.656 120.200 -0.103 0.000 2.150 132 E HA -0.107 4.244 4.350 0.001 0.000 0.193 132 E C 1.346 177.874 176.600 -0.120 0.000 0.985 132 E CA 0.730 57.078 56.400 -0.087 0.000 0.814 132 E CB -0.345 29.309 29.700 -0.076 0.000 0.752 132 E HN 0.461 nan 8.360 nan 0.000 0.466 133 L N 0.505 121.600 121.223 -0.214 0.000 2.645 133 L HA 0.060 4.400 4.340 0.001 0.000 0.235 133 L C 1.136 177.871 176.870 -0.225 0.000 1.150 133 L CA 0.739 55.371 54.840 -0.347 0.000 0.911 133 L CB 0.033 41.743 42.059 -0.583 0.000 1.077 133 L HN -0.146 nan 8.230 nan 0.000 0.438 134 S N -2.267 113.354 115.700 -0.132 0.000 2.629 134 S HA 0.113 4.584 4.470 0.001 0.000 0.236 134 S C 0.871 175.443 174.600 -0.046 0.000 1.010 134 S CA -0.098 58.048 58.200 -0.089 0.000 0.981 134 S CB 0.228 63.375 63.200 -0.088 0.000 0.919 134 S HN 0.536 nan 8.310 nan 0.000 0.514 135 T N -0.165 114.372 114.554 -0.029 0.000 2.788 135 T HA 0.612 4.962 4.350 0.001 0.000 0.287 135 T C 1.550 176.254 174.700 0.006 0.000 1.007 135 T CA -0.039 62.056 62.100 -0.008 0.000 1.005 135 T CB 1.011 69.880 68.868 0.003 0.000 1.012 135 T HN 0.039 nan 8.240 nan 0.000 0.530 136 A N 0.698 123.521 122.820 0.006 0.000 1.933 136 A HA -0.076 4.245 4.320 0.001 0.000 0.218 136 A C 2.033 179.629 177.584 0.020 0.000 1.175 136 A CA 1.646 53.688 52.037 0.009 0.000 0.628 136 A CB -1.001 18.002 19.000 0.004 0.000 0.814 136 A HN 0.894 nan 8.150 nan 0.000 0.444 137 D N 0.052 120.468 120.400 0.026 0.000 2.097 137 D HA -0.048 4.593 4.640 0.001 0.000 0.195 137 D C 2.288 178.629 176.300 0.069 0.000 0.989 137 D CA 1.565 55.587 54.000 0.036 0.000 0.827 137 D CB -0.474 40.348 40.800 0.036 0.000 0.966 137 D HN 0.394 nan 8.370 nan 0.000 0.456 138 A N 1.068 123.951 122.820 0.105 0.000 1.940 138 A HA -0.209 4.112 4.320 0.001 0.000 0.219 138 A C 1.746 179.456 177.584 0.210 0.000 1.176 138 A CA 1.798 53.971 52.037 0.228 0.000 0.631 138 A CB -0.471 18.620 19.000 0.152 0.000 0.814 138 A HN 0.057 nan 8.150 nan 0.000 0.446 139 D N -0.336 120.120 120.400 0.094 0.000 2.263 139 D HA -0.089 4.552 4.640 0.001 0.000 0.208 139 D C 1.703 178.029 176.300 0.043 0.000 0.971 139 D CA 1.103 55.139 54.000 0.059 0.000 0.867 139 D CB -0.172 40.641 40.800 0.022 0.000 0.929 139 D HN 0.555 nan 8.370 nan 0.000 0.492 140 K N -0.475 119.944 120.400 0.032 0.000 2.432 140 K HA 0.105 4.426 4.320 0.001 0.000 0.196 140 K C 0.744 177.328 176.600 -0.026 0.000 1.038 140 K CA 0.277 56.565 56.287 0.002 0.000 0.986 140 K CB 0.554 33.051 32.500 -0.005 0.000 0.782 140 K HN 0.113 nan 8.250 nan 0.000 0.485 141 L N -0.650 120.543 121.223 -0.049 0.000 2.331 141 L HA 0.373 4.714 4.340 0.001 0.000 0.268 141 L C -0.277 176.467 176.870 -0.210 0.000 1.015 141 L CA -1.164 53.557 54.840 -0.198 0.000 0.807 141 L CB 1.183 42.990 42.059 -0.420 0.000 1.293 141 L HN -0.011 nan 8.230 nan 0.000 0.451 142 H N -0.559 118.276 119.070 -0.391 0.000 2.529 142 H HA 0.615 5.172 4.556 0.001 0.000 0.348 142 H C -1.509 173.486 175.328 -0.555 0.000 1.152 142 H CA -0.296 55.578 56.048 -0.289 0.000 1.202 142 H CB 1.425 31.070 29.762 -0.196 0.000 1.562 142 H HN 0.220 nan 8.280 nan 0.000 0.515 143 F N 1.093 120.919 119.950 -0.208 0.000 2.532 143 F HA 0.387 4.915 4.527 0.001 0.000 0.321 143 F C -0.117 175.678 175.800 -0.008 0.000 1.089 143 F CA -0.747 57.192 58.000 -0.103 0.000 0.926 143 F CB 2.245 41.165 39.000 -0.133 0.000 1.168 143 F HN 0.360 nan 8.300 nan 0.000 0.459 144 S N 3.975 119.778 115.700 0.170 0.000 2.596 144 S HA 0.766 5.237 4.470 0.001 0.000 0.318 144 S C -1.101 173.693 174.600 0.322 0.000 1.097 144 S CA -0.413 57.946 58.200 0.265 0.000 1.080 144 S CB 0.182 63.507 63.200 0.209 0.000 0.991 144 S HN 0.513 nan 8.310 nan 0.000 0.471 145 I N 4.673 125.461 120.570 0.364 0.000 2.447 145 I HA 0.402 4.572 4.170 0.001 0.000 0.287 145 I C -0.630 175.667 176.117 0.300 0.000 1.023 145 I CA -1.083 60.394 61.300 0.295 0.000 1.083 145 I CB 2.112 40.193 38.000 0.134 0.000 1.245 145 I HN 0.265 nan 8.210 nan 0.000 0.434 146 V N 7.137 127.189 119.914 0.229 0.000 2.461 146 V HA 0.295 4.416 4.120 0.001 0.000 0.275 146 V C 0.200 176.292 176.094 -0.004 0.000 1.047 146 V CA -0.375 61.948 62.300 0.040 0.000 0.955 146 V CB 1.364 33.035 31.823 -0.253 0.000 0.988 146 V HN 0.455 nan 8.190 nan 0.000 0.471 147 L N 5.567 126.803 121.223 0.023 0.000 2.262 147 L HA 0.499 4.840 4.340 0.001 0.000 0.288 147 L C 0.150 177.036 176.870 0.027 0.000 1.035 147 L CA -0.483 54.387 54.840 0.050 0.000 0.820 147 L CB 0.651 42.755 42.059 0.076 0.000 1.204 147 L HN 0.619 nan 8.230 nan 0.000 0.424 148 E N 1.006 121.243 120.200 0.061 0.000 2.414 148 E HA -0.144 4.207 4.350 0.001 0.000 0.173 148 E C -2.351 174.250 176.600 0.001 0.000 1.551 148 E CA -0.022 56.431 56.400 0.089 0.000 0.661 148 E CB -1.105 28.624 29.700 0.048 0.000 1.108 148 E HN 0.398 nan 8.360 nan 0.000 0.365 149 P HA 0.017 nan 4.420 nan 0.000 0.268 149 P C 0.423 177.711 177.300 -0.020 0.000 1.208 149 P CA 0.314 63.327 63.100 -0.144 0.000 0.777 149 P CB 0.423 31.928 31.700 -0.325 0.000 0.875 150 D N -0.412 120.021 120.400 0.055 0.000 2.772 150 D HA -0.162 4.478 4.640 0.001 0.000 0.233 150 D C 0.496 176.896 176.300 0.167 0.000 1.143 150 D CA 1.406 55.530 54.000 0.206 0.000 0.700 150 D CB -1.196 39.736 40.800 0.219 0.000 1.076 150 D HN 0.349 nan 8.370 nan 0.000 0.430 151 S N -1.482 114.236 115.700 0.031 0.000 3.037 151 S HA 0.239 4.709 4.470 0.001 0.000 0.173 151 S C 2.009 176.698 174.600 0.148 0.000 0.681 151 S CA 0.032 58.201 58.200 -0.052 0.000 0.807 151 S CB -0.522 62.500 63.200 -0.297 0.000 0.789 151 S HN 0.174 nan 8.310 nan 0.000 0.637 152 L N 2.124 123.382 121.223 0.059 0.000 2.275 152 L HA 0.122 4.462 4.340 0.001 0.000 0.215 152 L C 2.773 179.572 176.870 -0.118 0.000 1.119 152 L CA 0.993 55.859 54.840 0.044 0.000 0.790 152 L CB -1.026 41.059 42.059 0.042 0.000 0.919 152 L HN 0.679 nan 8.230 nan 0.000 0.443 153 G N 0.317 108.918 108.800 -0.331 0.000 2.462 153 G HA2 -0.285 3.675 3.960 0.001 0.000 0.220 153 G HA3 -0.285 3.675 3.960 0.001 0.000 0.220 153 G C 1.272 176.129 174.900 -0.072 0.000 1.121 153 G CA 1.028 45.733 45.100 -0.660 0.000 0.758 153 G HN 0.460 nan 8.290 nan 0.000 0.559 154 N N -0.173 118.647 118.700 0.200 0.000 2.244 154 N HA -0.047 4.693 4.740 0.001 0.000 0.183 154 N C 1.952 177.541 175.510 0.130 0.000 1.016 154 N CA 1.027 54.270 53.050 0.322 0.000 0.866 154 N CB -0.145 38.531 38.487 0.314 0.000 0.980 154 N HN 0.195 nan 8.380 nan 0.000 0.430 155 M N -0.344 119.285 119.600 0.049 0.000 2.476 155 M HA -0.001 4.480 4.480 0.001 0.000 0.262 155 M C 1.439 177.726 176.300 -0.022 0.000 1.079 155 M CA 0.680 55.971 55.300 -0.015 0.000 1.104 155 M CB 0.242 32.817 32.600 -0.042 0.000 1.409 155 M HN 0.000 nan 8.290 nan 0.000 0.467 156 V N -1.251 118.652 119.914 -0.018 0.000 2.426 156 V HA -0.079 4.042 4.120 0.001 0.000 0.242 156 V C 2.138 178.275 176.094 0.071 0.000 1.036 156 V CA 1.990 64.278 62.300 -0.020 0.000 1.044 156 V CB -0.732 31.036 31.823 -0.092 0.000 0.688 156 V HN 0.595 nan 8.190 nan 0.000 0.462 157 T N -4.166 110.496 114.554 0.180 0.000 2.975 157 T HA 0.167 4.517 4.350 0.001 0.000 0.257 157 T C 0.833 175.674 174.700 0.234 0.000 1.003 157 T CA 0.312 62.541 62.100 0.215 0.000 0.932 157 T CB -0.265 68.799 68.868 0.326 0.000 1.087 157 T HN 0.430 nan 8.240 nan 0.000 0.512 158 N N 0.398 119.210 118.700 0.188 0.000 2.351 158 N HA 0.315 5.056 4.740 0.001 0.000 0.254 158 N C 0.804 176.262 175.510 -0.086 0.000 1.241 158 N CA -0.305 52.775 53.050 0.050 0.000 0.883 158 N CB 0.400 38.898 38.487 0.019 0.000 1.202 158 N HN 0.084 nan 8.380 nan 0.000 0.512 159 M N 0.698 120.327 119.600 0.048 0.000 2.686 159 M HA -0.036 4.445 4.480 0.001 0.000 0.246 159 M C 1.463 177.770 176.300 0.011 0.000 1.096 159 M CA 0.975 56.274 55.300 -0.003 0.000 1.076 159 M CB -0.906 31.701 32.600 0.012 0.000 1.504 159 M HN 0.417 nan 8.290 nan 0.000 0.524 160 H N -1.105 117.954 119.070 -0.019 0.000 2.551 160 H HA 0.211 4.767 4.556 0.001 0.000 0.266 160 H C 0.092 175.407 175.328 -0.021 0.000 0.977 160 H CA 0.108 56.143 56.048 -0.022 0.000 1.163 160 H CB -0.641 29.107 29.762 -0.023 0.000 1.381 160 H HN 0.084 nan 8.280 nan 0.000 0.581 161 V N 4.022 123.653 119.914 -0.471 0.000 2.406 161 V HA 0.079 4.199 4.120 0.001 0.000 0.272 161 V C -1.270 174.728 176.094 -0.161 0.000 1.043 161 V CA -1.200 60.902 62.300 -0.329 0.000 0.915 161 V CB 1.680 33.290 31.823 -0.354 0.000 0.988 161 V HN 0.120 nan 8.190 nan 0.000 0.466 162 P HA -0.212 nan 4.420 nan 0.000 0.216 162 P C 1.693 178.947 177.300 -0.077 0.000 1.157 162 P CA 1.345 64.403 63.100 -0.069 0.000 0.880 162 P CB 0.266 31.939 31.700 -0.045 0.000 0.791 163 K N -0.863 119.493 120.400 -0.075 0.000 2.097 163 K HA -0.153 4.168 4.320 0.001 0.000 0.206 163 K C 1.827 178.354 176.600 -0.122 0.000 1.049 163 K CA 1.610 57.854 56.287 -0.071 0.000 0.933 163 K CB -0.524 31.953 32.500 -0.038 0.000 0.717 163 K HN 0.127 nan 8.250 nan 0.000 0.442 164 c N 0.820 119.335 118.600 -0.142 0.000 2.457 164 c HA -0.029 4.542 4.570 0.001 0.000 0.278 164 c C 2.537 176.510 174.090 -0.195 0.000 1.309 164 c CA 0.412 56.622 56.329 -0.198 0.000 1.735 164 c CB -0.708 41.713 42.510 -0.148 0.000 1.992 164 c HN 0.566 nan 8.230 nan 0.000 0.493 165 Q N 0.493 120.212 119.800 -0.136 0.000 2.112 165 Q HA -0.142 4.198 4.340 0.001 0.000 0.206 165 Q C 2.396 178.330 176.000 -0.111 0.000 0.987 165 Q CA 1.919 57.659 55.803 -0.105 0.000 0.858 165 Q CB -0.480 28.214 28.738 -0.073 0.000 0.905 165 Q HN 0.790 nan 8.270 nan 0.000 0.420 166 G N -0.314 108.420 108.800 -0.110 0.000 2.534 166 G HA2 0.017 3.978 3.960 0.001 0.000 0.217 166 G HA3 0.017 3.978 3.960 0.001 0.000 0.217 166 G C 1.114 175.937 174.900 -0.128 0.000 1.128 166 G CA 0.667 45.711 45.100 -0.094 0.000 0.784 166 G HN 0.377 nan 8.290 nan 0.000 0.542 167 A N -0.030 122.653 122.820 -0.228 0.000 2.343 167 A HA 0.715 5.035 4.320 0.001 0.000 0.223 167 A C 2.403 179.711 177.584 -0.460 0.000 1.214 167 A CA 1.182 53.006 52.037 -0.356 0.000 0.900 167 A CB -0.060 18.608 19.000 -0.553 0.000 0.942 167 A HN 0.429 nan 8.150 nan 0.000 0.507 168 A N 0.066 122.683 122.820 -0.338 0.000 1.873 168 A HA -0.151 4.170 4.320 0.001 0.000 0.218 168 A C 2.247 179.768 177.584 -0.106 0.000 1.193 168 A CA 2.590 54.483 52.037 -0.241 0.000 0.629 168 A CB -1.306 17.607 19.000 -0.146 0.000 0.826 168 A HN 0.362 nan 8.150 nan 0.000 0.447 169 T N 0.196 114.706 114.554 -0.073 0.000 2.746 169 T HA -0.007 4.344 4.350 0.001 0.000 0.267 169 T C 2.188 176.896 174.700 0.013 0.000 1.039 169 T CA 1.605 63.693 62.100 -0.020 0.000 1.142 169 T CB -0.471 68.385 68.868 -0.021 0.000 0.866 169 T HN 0.621 nan 8.240 nan 0.000 0.444 170 A N 0.493 123.314 122.820 0.001 0.000 1.933 170 A HA -0.091 4.230 4.320 0.001 0.000 0.218 170 A C 2.047 179.721 177.584 0.150 0.000 1.175 170 A CA 1.262 53.330 52.037 0.051 0.000 0.628 170 A CB -0.852 18.169 19.000 0.035 0.000 0.814 170 A HN 0.474 nan 8.150 nan 0.000 0.444 171 Y N 0.341 120.609 120.300 -0.053 0.000 2.163 171 Y HA -0.119 4.431 4.550 0.001 0.000 0.288 171 Y C 2.344 178.236 175.900 -0.014 0.000 1.136 171 Y CA 1.254 59.322 58.100 -0.054 0.000 1.147 171 Y CB -0.652 37.789 38.460 -0.031 0.000 0.987 171 Y HN 0.337 nan 8.280 nan 0.000 0.509 172 K N 0.053 120.558 120.400 0.174 0.000 2.057 172 K HA -0.177 4.144 4.320 0.001 0.000 0.207 172 K C 1.954 178.623 176.600 0.115 0.000 1.049 172 K CA 1.690 58.048 56.287 0.118 0.000 0.931 172 K CB -0.213 32.333 32.500 0.076 0.000 0.714 172 K HN 0.383 nan 8.250 nan 0.000 0.440 173 E N 0.013 120.275 120.200 0.102 0.000 2.106 173 E HA -0.117 4.234 4.350 0.001 0.000 0.192 173 E C 2.165 178.862 176.600 0.163 0.000 0.984 173 E CA 0.913 57.379 56.400 0.110 0.000 0.806 173 E CB -0.096 29.647 29.700 0.072 0.000 0.750 173 E HN 0.443 nan 8.360 nan 0.000 0.458 174 G N 1.399 110.281 108.800 0.138 0.000 2.414 174 G HA2 -0.234 3.726 3.960 0.001 0.000 0.215 174 G HA3 -0.234 3.726 3.960 0.001 0.000 0.215 174 G C 1.597 176.701 174.900 0.339 0.000 1.188 174 G CA 0.543 45.762 45.100 0.199 0.000 0.783 174 G HN 0.105 nan 8.290 nan 0.000 0.537 175 I N 1.554 122.240 120.570 0.193 0.000 2.286 175 I HA -0.159 4.011 4.170 0.001 0.000 0.248 175 I C 3.276 179.508 176.117 0.191 0.000 1.115 175 I CA 0.860 62.279 61.300 0.197 0.000 1.392 175 I CB -0.175 37.904 38.000 0.132 0.000 1.065 175 I HN 0.242 nan 8.210 nan 0.000 0.418 176 A N 0.278 123.207 122.820 0.181 0.000 1.908 176 A HA -0.299 4.021 4.320 0.001 0.000 0.218 176 A C 2.307 179.992 177.584 0.168 0.000 1.181 176 A CA 1.747 53.877 52.037 0.154 0.000 0.627 176 A CB -1.060 18.025 19.000 0.141 0.000 0.818 176 A HN 0.519 nan 8.150 nan 0.000 0.445 177 Y N 1.311 121.677 120.300 0.109 0.000 2.200 177 Y HA -0.165 4.386 4.550 0.001 0.000 0.290 177 Y C 2.675 178.617 175.900 0.069 0.000 1.137 177 Y CA 2.179 60.332 58.100 0.088 0.000 1.163 177 Y CB -0.675 37.854 38.460 0.114 0.000 0.988 177 Y HN 0.330 nan 8.280 nan 0.000 0.518 178 T N 1.116 115.755 114.554 0.141 0.000 2.708 178 T HA -0.213 4.138 4.350 0.001 0.000 0.266 178 T C 2.010 176.668 174.700 -0.071 0.000 1.037 178 T CA 2.083 64.193 62.100 0.017 0.000 1.146 178 T CB -0.501 68.477 68.868 0.183 0.000 0.865 178 T HN 0.334 nan 8.240 nan 0.000 0.435 179 I N 1.439 122.003 120.570 -0.011 0.000 2.163 179 I HA -0.204 3.967 4.170 0.001 0.000 0.243 179 I C 2.914 178.973 176.117 -0.096 0.000 1.085 179 I CA 1.298 62.575 61.300 -0.038 0.000 1.347 179 I CB -0.479 37.525 38.000 0.007 0.000 1.044 179 I HN 0.198 nan 8.210 nan 0.000 0.408 180 A N -0.434 122.319 122.820 -0.111 0.000 2.070 180 A HA -0.141 4.179 4.320 0.001 0.000 0.220 180 A C 2.347 179.796 177.584 -0.225 0.000 1.159 180 A CA 1.856 53.810 52.037 -0.139 0.000 0.656 180 A CB -0.456 18.484 19.000 -0.099 0.000 0.800 180 A HN 0.402 nan 8.150 nan 0.000 0.453 181 S N -1.068 114.429 115.700 -0.337 0.000 2.528 181 S HA 0.269 4.739 4.470 0.001 0.000 0.219 181 S C 0.701 175.151 174.600 -0.249 0.000 0.985 181 S CA 0.217 58.191 58.200 -0.376 0.000 0.914 181 S CB -0.019 62.830 63.200 -0.585 0.000 0.776 181 S HN 0.455 nan 8.310 nan 0.000 0.526 182 L N 1.841 122.943 121.223 -0.202 0.000 3.168 182 L HA 0.310 4.651 4.340 0.001 0.000 0.277 182 L C -0.444 176.338 176.870 -0.146 0.000 1.308 182 L CA -0.146 54.587 54.840 -0.178 0.000 0.976 182 L CB 0.454 42.412 42.059 -0.168 0.000 1.383 182 L HN 0.001 nan 8.230 nan 0.000 0.572 183 Q N 2.189 121.908 119.800 -0.134 0.000 2.490 183 Q HA 0.375 4.716 4.340 0.001 0.000 0.226 183 Q C -0.643 175.296 176.000 -0.102 0.000 1.132 183 Q CA 0.217 55.954 55.803 -0.109 0.000 0.928 183 Q CB 1.195 29.877 28.738 -0.095 0.000 1.299 183 Q HN 0.313 nan 8.270 nan 0.000 0.528 184 K N 1.958 122.295 120.400 -0.105 0.000 2.477 184 K HA 0.360 4.681 4.320 0.001 0.000 0.255 184 K C -1.841 174.708 176.600 -0.085 0.000 0.952 184 K CA -1.794 54.436 56.287 -0.094 0.000 0.826 184 K CB 2.215 34.648 32.500 -0.111 0.000 1.331 184 K HN -0.012 nan 8.250 nan 0.000 0.437 185 P HA -0.156 nan 4.420 nan 0.000 0.222 185 P C 0.178 177.450 177.300 -0.047 0.000 1.147 185 P CA 1.319 64.399 63.100 -0.033 0.000 0.790 185 P CB 0.123 31.815 31.700 -0.013 0.000 0.780 186 N N -0.208 118.411 118.700 -0.134 0.000 2.251 186 N HA 0.082 4.823 4.740 0.001 0.000 0.217 186 N C 0.036 175.136 175.510 -0.684 0.000 1.124 186 N CA -0.201 52.628 53.050 -0.369 0.000 0.843 186 N CB -0.120 38.292 38.487 -0.125 0.000 1.024 186 N HN 0.207 nan 8.380 nan 0.000 0.501 187 I N 0.425 120.772 120.570 -0.372 0.000 2.466 187 I HA 0.279 4.449 4.170 0.001 0.000 0.289 187 I C -1.094 174.958 176.117 -0.107 0.000 1.026 187 I CA -0.778 60.394 61.300 -0.214 0.000 1.078 187 I CB 1.810 39.726 38.000 -0.141 0.000 1.249 187 I HN -0.201 nan 8.210 nan 0.000 0.429 188 D N 6.569 126.972 120.400 0.004 0.000 2.256 188 D HA 0.637 5.277 4.640 0.001 0.000 0.246 188 D C -0.901 175.364 176.300 -0.059 0.000 1.042 188 D CA -0.253 53.736 54.000 -0.018 0.000 0.841 188 D CB 2.090 42.928 40.800 0.063 0.000 1.223 188 D HN 0.249 nan 8.370 nan 0.000 0.470 189 L N 2.459 123.553 121.223 -0.215 0.000 2.329 189 L HA 0.529 4.870 4.340 0.001 0.000 0.279 189 L C -1.143 175.525 176.870 -0.336 0.000 1.014 189 L CA -0.959 53.794 54.840 -0.146 0.000 0.814 189 L CB 1.004 43.002 42.059 -0.101 0.000 1.257 189 L HN 0.367 nan 8.230 nan 0.000 0.424 190 Y N 2.821 123.134 120.300 0.021 0.000 2.338 190 Y HA 0.479 5.030 4.550 0.001 0.000 0.333 190 Y C 0.093 175.959 175.900 -0.057 0.000 0.968 190 Y CA -0.601 57.485 58.100 -0.022 0.000 1.123 190 Y CB 1.661 40.122 38.460 0.001 0.000 1.165 190 Y HN 0.358 nan 8.280 nan 0.000 0.452 191 I N 2.728 123.318 120.570 0.032 0.000 2.441 191 I HA 0.055 4.226 4.170 0.001 0.000 0.287 191 I C 0.245 176.277 176.117 -0.141 0.000 1.049 191 I CA -0.204 61.067 61.300 -0.049 0.000 1.381 191 I CB 0.706 38.650 38.000 -0.092 0.000 1.409 191 I HN 0.632 nan 8.210 nan 0.000 0.523 192 D N 4.942 125.286 120.400 -0.093 0.000 2.455 192 D HA 0.235 4.875 4.640 0.001 0.000 0.241 192 D C 0.194 176.418 176.300 -0.127 0.000 1.138 192 D CA 0.199 54.139 54.000 -0.101 0.000 0.877 192 D CB 0.870 41.624 40.800 -0.078 0.000 1.187 192 D HN 0.656 nan 8.370 nan 0.000 0.451 193 A N 3.395 126.164 122.820 -0.086 0.000 2.705 193 A HA 0.656 4.977 4.320 0.001 0.000 0.294 193 A C 0.858 178.532 177.584 0.151 0.000 1.039 193 A CA 0.479 52.530 52.037 0.024 0.000 1.005 193 A CB -0.509 18.399 19.000 -0.153 0.000 1.192 193 A HN 1.066 nan 8.150 nan 0.000 0.513 194 A N 0.453 123.302 122.820 0.048 0.000 5.585 194 A HA -0.123 4.198 4.320 0.001 0.000 0.295 194 A C 0.363 178.122 177.584 0.291 0.000 1.985 194 A CA 1.453 53.544 52.037 0.091 0.000 0.716 194 A CB -1.398 17.431 19.000 -0.285 0.000 1.237 194 A HN 2.220 nan 8.150 nan 0.000 0.371 195 H N -2.172 116.955 119.070 0.095 0.000 2.966 195 H HA 0.548 5.105 4.556 0.001 0.000 0.330 195 H C 1.005 175.990 175.328 -0.571 0.000 1.292 195 H CA 0.261 56.296 56.048 -0.022 0.000 1.127 195 H CB 0.878 30.685 29.762 0.075 0.000 1.863 195 H HN 1.487 nan 8.280 nan 0.000 0.543 196 G N -0.380 108.045 108.800 -0.626 0.000 2.442 196 G HA2 -0.213 3.748 3.960 0.001 0.000 0.219 196 G HA3 -0.213 3.748 3.960 0.001 0.000 0.219 196 G C 1.413 175.717 174.900 -0.994 0.000 1.141 196 G CA 0.735 45.269 45.100 -0.943 0.000 0.763 196 G HN 0.764 nan 8.290 nan 0.000 0.554 197 G N -1.347 106.693 108.800 -1.266 0.000 2.679 197 G HA2 -0.039 3.922 3.960 0.001 0.000 0.212 197 G HA3 -0.039 3.922 3.960 0.001 0.000 0.212 197 G C 1.302 175.655 174.900 -0.911 0.000 1.137 197 G CA 0.674 44.484 45.100 -2.150 0.000 0.787 197 G HN 0.371 nan 8.290 nan 0.000 0.534 198 W N 0.265 120.896 121.300 -1.115 0.000 3.008 198 W HA 0.338 4.999 4.660 0.001 0.000 0.273 198 W C 1.617 177.999 176.519 -0.228 0.000 1.012 198 W CA 0.458 57.487 57.345 -0.527 0.000 1.885 198 W CB -0.435 28.688 29.460 -0.562 0.000 1.150 198 W HN 0.039 nan 8.180 nan 0.000 0.564 199 L N 0.857 121.992 121.223 -0.147 0.000 2.607 199 L HA 0.282 4.623 4.340 0.001 0.000 0.228 199 L C 2.142 178.974 176.870 -0.064 0.000 1.123 199 L CA 0.631 55.421 54.840 -0.084 0.000 0.890 199 L CB -0.703 41.291 42.059 -0.108 0.000 1.103 199 L HN 0.105 nan 8.230 nan 0.000 0.468 200 G N -0.692 107.909 108.800 -0.333 0.000 2.623 200 G HA2 -0.117 3.844 3.960 0.001 0.000 0.214 200 G HA3 -0.117 3.844 3.960 0.001 0.000 0.214 200 G C 0.149 174.962 174.900 -0.145 0.000 1.138 200 G CA -0.471 44.464 45.100 -0.275 0.000 0.794 200 G HN 0.165 nan 8.290 nan 0.000 0.535 201 W N 1.087 122.371 121.300 -0.027 0.000 2.231 201 W HA 0.162 4.823 4.660 0.001 0.000 0.341 201 W C 1.205 177.748 176.519 0.039 0.000 1.298 201 W CA -0.778 56.594 57.345 0.046 0.000 1.266 201 W CB 0.367 29.849 29.460 0.037 0.000 1.172 201 W HN -0.053 nan 8.180 nan 0.000 0.568 202 N N 1.559 120.442 118.700 0.306 0.000 2.094 202 N HA -0.217 4.524 4.740 0.001 0.000 0.191 202 N C 1.054 176.629 175.510 0.108 0.000 1.023 202 N CA 1.776 54.931 53.050 0.175 0.000 0.857 202 N CB -0.371 38.225 38.487 0.182 0.000 1.013 202 N HN 0.456 nan 8.380 nan 0.000 0.426 203 D N -0.003 120.476 120.400 0.132 0.000 2.264 203 D HA -0.033 4.608 4.640 0.001 0.000 0.208 203 D C 0.958 177.279 176.300 0.034 0.000 0.966 203 D CA 0.632 54.671 54.000 0.065 0.000 0.864 203 D CB -0.183 40.649 40.800 0.054 0.000 0.933 203 D HN 0.271 nan 8.370 nan 0.000 0.499 204 N N -0.387 118.351 118.700 0.064 0.000 2.356 204 N HA 0.084 4.824 4.740 0.001 0.000 0.178 204 N C 1.858 177.335 175.510 -0.055 0.000 1.075 204 N CA -0.009 53.056 53.050 0.024 0.000 0.889 204 N CB 0.252 38.800 38.487 0.101 0.000 0.999 204 N HN 0.217 nan 8.380 nan 0.000 0.464 205 L N 0.457 121.619 121.223 -0.102 0.000 1.976 205 L HA -0.110 4.230 4.340 0.001 0.000 0.209 205 L C 2.574 179.251 176.870 -0.321 0.000 1.071 205 L CA 1.221 55.917 54.840 -0.241 0.000 0.746 205 L CB -0.293 41.480 42.059 -0.476 0.000 0.890 205 L HN 0.047 nan 8.230 nan 0.000 0.432 206 R N 0.428 120.722 120.500 -0.343 0.000 2.073 206 R HA -0.107 4.234 4.340 0.001 0.000 0.234 206 R C -0.602 175.627 176.300 -0.117 0.000 1.134 206 R CA 1.555 57.555 56.100 -0.166 0.000 0.952 206 R CB -1.599 28.672 30.300 -0.049 0.000 0.850 206 R HN 0.172 nan 8.270 nan 0.000 0.433 207 P HA -0.056 nan 4.420 nan 0.000 0.218 207 P C 0.920 178.067 177.300 -0.255 0.000 1.148 207 P CA 1.551 64.565 63.100 -0.143 0.000 0.822 207 P CB -0.037 31.597 31.700 -0.110 0.000 0.784 208 S N -0.114 115.406 115.700 -0.299 0.000 2.345 208 S HA -0.120 4.351 4.470 0.001 0.000 0.220 208 S C 2.131 176.301 174.600 -0.717 0.000 1.031 208 S CA 1.365 59.223 58.200 -0.570 0.000 0.996 208 S CB -1.198 61.796 63.200 -0.344 0.000 0.882 208 S HN 0.156 nan 8.310 nan 0.000 0.445 209 A N 1.706 124.368 122.820 -0.263 0.000 1.917 209 A HA -0.212 4.108 4.320 0.001 0.000 0.219 209 A C 2.012 179.505 177.584 -0.153 0.000 1.182 209 A CA 1.718 53.700 52.037 -0.092 0.000 0.633 209 A CB -0.655 18.389 19.000 0.074 0.000 0.819 209 A HN 0.574 nan 8.150 nan 0.000 0.448 210 E N -0.878 119.229 120.200 -0.155 0.000 2.077 210 E HA -0.159 4.191 4.350 0.001 0.000 0.193 210 E C 1.943 178.450 176.600 -0.155 0.000 0.989 210 E CA 1.196 57.532 56.400 -0.106 0.000 0.800 210 E CB -0.234 29.419 29.700 -0.079 0.000 0.746 210 E HN 0.729 nan 8.360 nan 0.000 0.452 211 I N 0.324 120.710 120.570 -0.308 0.000 2.439 211 I HA -0.226 3.944 4.170 0.001 0.000 0.251 211 I C 1.530 177.508 176.117 -0.232 0.000 1.139 211 I CA 0.697 61.824 61.300 -0.289 0.000 1.438 211 I CB 0.090 37.880 38.000 -0.350 0.000 1.085 211 I HN -0.018 nan 8.210 nan 0.000 0.427 212 F N 1.182 120.982 119.950 -0.250 0.000 2.134 212 F HA -0.205 4.323 4.527 0.001 0.000 0.299 212 F C 2.454 178.155 175.800 -0.165 0.000 1.097 212 F CA 1.320 59.068 58.000 -0.420 0.000 1.264 212 F CB -1.227 37.108 39.000 -1.108 0.000 1.001 212 F HN -0.007 nan 8.300 nan 0.000 0.479 213 K N 0.878 121.336 120.400 0.096 0.000 2.057 213 K HA -0.196 4.124 4.320 0.001 0.000 0.206 213 K C 2.026 178.720 176.600 0.157 0.000 1.050 213 K CA 1.586 58.025 56.287 0.253 0.000 0.935 213 K CB -0.469 32.143 32.500 0.186 0.000 0.715 213 K HN 0.343 nan 8.250 nan 0.000 0.439 214 E N -0.801 119.444 120.200 0.075 0.000 2.085 214 E HA -0.176 4.175 4.350 0.001 0.000 0.194 214 E C 1.298 177.946 176.600 0.081 0.000 0.994 214 E CA 1.805 58.238 56.400 0.055 0.000 0.801 214 E CB -0.061 29.646 29.700 0.011 0.000 0.743 214 E HN 0.360 nan 8.360 nan 0.000 0.453 215 T N 1.393 116.009 114.554 0.104 0.000 2.777 215 T HA -0.135 4.216 4.350 0.001 0.000 0.266 215 T C 1.748 176.534 174.700 0.144 0.000 1.040 215 T CA 0.986 63.162 62.100 0.126 0.000 1.141 215 T CB -0.249 68.709 68.868 0.150 0.000 0.868 215 T HN 0.115 nan 8.240 nan 0.000 0.444 216 L N 1.852 123.193 121.223 0.197 0.000 2.046 216 L HA -0.094 4.246 4.340 0.001 0.000 0.208 216 L C 1.798 178.727 176.870 0.099 0.000 1.077 216 L CA 1.866 56.804 54.840 0.163 0.000 0.747 216 L CB -0.807 41.386 42.059 0.223 0.000 0.896 216 L HN 0.075 nan 8.230 nan 0.000 0.432 217 D N -0.548 119.912 120.400 0.100 0.000 2.149 217 D HA -0.196 4.445 4.640 0.001 0.000 0.198 217 D C 2.347 178.682 176.300 0.058 0.000 0.990 217 D CA 1.487 55.527 54.000 0.066 0.000 0.839 217 D CB -0.199 40.639 40.800 0.062 0.000 0.948 217 D HN 0.369 nan 8.370 nan 0.000 0.460 218 L N 0.570 121.833 121.223 0.068 0.000 2.083 218 L HA -0.142 4.199 4.340 0.001 0.000 0.209 218 L C 2.509 179.420 176.870 0.069 0.000 1.083 218 L CA 1.051 55.931 54.840 0.066 0.000 0.752 218 L CB -0.377 41.727 42.059 0.076 0.000 0.899 218 L HN -0.021 nan 8.230 nan 0.000 0.433 219 A N 0.173 123.036 122.820 0.071 0.000 1.940 219 A HA -0.211 4.109 4.320 0.001 0.000 0.219 219 A C 2.316 179.919 177.584 0.031 0.000 1.176 219 A CA 1.519 53.589 52.037 0.054 0.000 0.631 219 A CB -0.462 18.564 19.000 0.043 0.000 0.814 219 A HN 0.359 nan 8.150 nan 0.000 0.446 220 R N -0.585 119.932 120.500 0.028 0.000 2.276 220 R HA -0.015 4.326 4.340 0.001 0.000 0.203 220 R C 1.909 178.220 176.300 0.018 0.000 1.017 220 R CA 0.915 57.023 56.100 0.014 0.000 1.010 220 R CB -0.123 30.183 30.300 0.011 0.000 0.900 220 R HN 0.677 nan 8.270 nan 0.000 0.469 221 Q N -0.087 119.731 119.800 0.030 0.000 2.435 221 Q HA 0.017 4.358 4.340 0.001 0.000 0.207 221 Q C 1.511 177.532 176.000 0.035 0.000 0.956 221 Q CA 0.781 56.602 55.803 0.031 0.000 0.917 221 Q CB 0.340 29.100 28.738 0.037 0.000 0.997 221 Q HN 0.407 nan 8.270 nan 0.000 0.497 222 I N -0.972 119.622 120.570 0.039 0.000 2.899 222 I HA -0.001 4.170 4.170 0.001 0.000 0.257 222 I C 0.421 176.547 176.117 0.015 0.000 1.115 222 I CA 0.681 62.008 61.300 0.045 0.000 1.451 222 I CB 0.780 38.825 38.000 0.075 0.000 1.251 222 I HN -0.159 nan 8.210 nan 0.000 0.456 223 T N 2.739 117.291 114.554 -0.004 0.000 2.912 223 T HA 0.246 4.597 4.350 0.001 0.000 0.326 223 T C -1.967 172.722 174.700 -0.018 0.000 1.080 223 T CA -1.075 61.012 62.100 -0.022 0.000 1.000 223 T CB 1.824 70.663 68.868 -0.049 0.000 1.008 223 T HN -0.130 nan 8.240 nan 0.000 0.473 224 P HA -0.146 nan 4.420 nan 0.000 0.217 224 P C 0.911 178.201 177.300 -0.018 0.000 1.158 224 P CA 1.240 64.333 63.100 -0.011 0.000 0.887 224 P CB 0.190 31.884 31.700 -0.011 0.000 0.792 225 N N -1.139 117.546 118.700 -0.026 0.000 2.320 225 N HA 0.236 4.976 4.740 0.001 0.000 0.237 225 N C -0.023 175.461 175.510 -0.044 0.000 1.129 225 N CA -0.117 52.914 53.050 -0.032 0.000 0.854 225 N CB 0.054 38.522 38.487 -0.032 0.000 1.083 225 N HN 0.058 nan 8.380 nan 0.000 0.504 226 A N 1.043 123.838 122.820 -0.043 0.000 2.540 226 A HA 0.322 4.643 4.320 0.001 0.000 0.239 226 A C 0.924 178.466 177.584 -0.070 0.000 1.061 226 A CA 0.305 52.309 52.037 -0.055 0.000 0.758 226 A CB 0.046 19.020 19.000 -0.044 0.000 0.991 226 A HN 0.308 nan 8.150 nan 0.000 0.502 227 T N -1.177 113.321 114.554 -0.093 0.000 2.865 227 T HA 0.741 5.091 4.350 0.001 0.000 0.294 227 T C -0.233 174.371 174.700 -0.159 0.000 1.119 227 T CA -0.067 61.953 62.100 -0.134 0.000 1.007 227 T CB 1.021 69.806 68.868 -0.138 0.000 1.225 227 T HN 1.843 nan 8.240 nan 0.000 0.515 228 V N -0.704 119.068 119.914 -0.236 0.000 3.074 228 V HA 0.792 4.912 4.120 0.001 0.000 0.314 228 V C 1.199 177.081 176.094 -0.353 0.000 1.117 228 V CA -1.187 60.952 62.300 -0.269 0.000 1.014 228 V CB 1.762 33.445 31.823 -0.232 0.000 1.057 228 V HN 0.967 nan 8.190 nan 0.000 0.438 229 R N 1.350 121.592 120.500 -0.430 0.000 2.093 229 R HA 0.485 4.826 4.340 0.001 0.000 0.224 229 R C 0.856 176.906 176.300 -0.418 0.000 1.101 229 R CA 1.891 57.710 56.100 -0.468 0.000 0.979 229 R CB -0.325 29.552 30.300 -0.705 0.000 0.877 229 R HN 1.492 nan 8.270 nan 0.000 0.441 230 G N -1.807 106.743 108.800 -0.416 0.000 2.564 230 G HA2 0.162 4.123 3.960 0.001 0.000 0.139 230 G HA3 0.162 4.123 3.960 0.001 0.000 0.139 230 G C -1.656 173.221 174.900 -0.040 0.000 1.147 230 G CA -0.463 44.511 45.100 -0.209 0.000 1.031 230 G HN 0.050 nan 8.290 nan 0.000 0.482 231 L N 0.500 121.656 121.223 -0.112 0.000 2.354 231 L HA 0.822 5.162 4.340 0.001 0.000 0.264 231 L C 0.086 176.940 176.870 -0.027 0.000 1.008 231 L CA -1.057 53.656 54.840 -0.213 0.000 0.819 231 L CB 2.248 43.937 42.059 -0.616 0.000 1.339 231 L HN 0.910 nan 8.230 nan 0.000 0.420 232 A N 2.781 125.578 122.820 -0.038 0.000 2.331 232 A HA 0.866 5.187 4.320 0.001 0.000 0.320 232 A C -0.724 176.878 177.584 0.030 0.000 1.138 232 A CA -0.486 51.523 52.037 -0.047 0.000 0.790 232 A CB 1.012 19.932 19.000 -0.134 0.000 1.206 232 A HN 0.681 nan 8.150 nan 0.000 0.470 233 I N -0.960 119.679 120.570 0.115 0.000 2.892 233 I HA 0.749 4.920 4.170 0.001 0.000 0.306 233 I C 0.282 176.510 176.117 0.185 0.000 1.078 233 I CA -0.905 60.528 61.300 0.221 0.000 1.032 233 I CB 2.034 40.252 38.000 0.363 0.000 1.229 233 I HN 0.645 nan 8.210 nan 0.000 0.435 234 N N 1.422 120.269 118.700 0.244 0.000 2.828 234 N HA -0.151 4.590 4.740 0.001 0.000 0.248 234 N C -0.511 175.044 175.510 0.075 0.000 1.044 234 N CA 0.907 54.069 53.050 0.186 0.000 0.851 234 N CB -0.960 37.643 38.487 0.194 0.000 1.136 234 N HN 0.526 nan 8.380 nan 0.000 0.572 235 V N 0.917 120.864 119.914 0.055 0.000 2.509 235 V HA 0.024 4.144 4.120 0.001 0.000 0.297 235 V C 1.362 177.475 176.094 0.031 0.000 1.014 235 V CA 1.192 63.499 62.300 0.012 0.000 1.127 235 V CB 0.643 32.440 31.823 -0.043 0.000 0.925 235 V HN 0.500 nan 8.190 nan 0.000 0.480 236 S N 2.169 117.872 115.700 0.005 0.000 3.127 236 S HA -0.195 4.275 4.470 0.001 0.000 0.281 236 S C 0.599 175.068 174.600 -0.219 0.000 1.293 236 S CA 1.419 59.568 58.200 -0.085 0.000 1.156 236 S CB -1.230 61.948 63.200 -0.036 0.000 1.389 236 S HN 0.896 nan 8.310 nan 0.000 0.672 237 N N -0.795 117.783 118.700 -0.202 0.000 2.681 237 N HA 0.566 5.306 4.740 0.001 0.000 0.311 237 N C 0.149 175.441 175.510 -0.362 0.000 1.303 237 N CA -0.310 52.600 53.050 -0.234 0.000 0.926 237 N CB 0.565 38.951 38.487 -0.168 0.000 1.136 237 N HN 0.218 nan 8.380 nan 0.000 0.592 238 Y N -1.103 119.238 120.300 0.068 0.000 2.563 238 Y HA 0.329 4.880 4.550 0.001 0.000 0.250 238 Y C -0.153 175.829 175.900 0.137 0.000 1.126 238 Y CA -0.739 57.417 58.100 0.094 0.000 1.231 238 Y CB 0.205 38.725 38.460 0.100 0.000 1.288 238 Y HN 0.219 nan 8.280 nan 0.000 0.537 239 N N 4.250 123.137 118.700 0.313 0.000 2.458 239 N HA 0.044 4.785 4.740 0.001 0.000 0.258 239 N C -2.612 173.057 175.510 0.265 0.000 1.219 239 N CA -1.164 52.088 53.050 0.336 0.000 0.902 239 N CB 0.231 38.967 38.487 0.415 0.000 1.076 239 N HN 0.078 nan 8.380 nan 0.000 0.455 240 P HA -0.024 nan 4.420 nan 0.000 0.272 240 P C 0.426 177.879 177.300 0.255 0.000 1.223 240 P CA -0.167 63.058 63.100 0.208 0.000 0.784 240 P CB 0.751 32.539 31.700 0.148 0.000 0.923 241 Y N 3.047 123.420 120.300 0.123 0.000 2.133 241 Y HA -0.033 4.518 4.550 0.001 0.000 0.287 241 Y C 0.762 176.736 175.900 0.124 0.000 1.134 241 Y CA 1.688 59.866 58.100 0.130 0.000 1.133 241 Y CB 0.212 38.730 38.460 0.097 0.000 0.987 241 Y HN 0.252 nan 8.280 nan 0.000 0.502 242 K N 0.505 120.951 120.400 0.077 0.000 2.502 242 K HA 0.207 4.528 4.320 0.001 0.000 0.254 242 K C -0.635 175.989 176.600 0.040 0.000 0.947 242 K CA -0.482 55.782 56.287 -0.037 0.000 0.834 242 K CB 1.884 34.275 32.500 -0.181 0.000 1.112 242 K HN -0.079 nan 8.250 nan 0.000 0.427 243 T N 1.373 115.974 114.554 0.079 0.000 2.918 243 T HA 0.121 4.472 4.350 0.001 0.000 0.302 243 T C 0.930 175.645 174.700 0.026 0.000 1.045 243 T CA -0.131 62.011 62.100 0.068 0.000 1.114 243 T CB 0.487 69.415 68.868 0.099 0.000 0.965 243 T HN 0.419 nan 8.240 nan 0.000 0.540 244 R N 2.274 122.773 120.500 -0.001 0.000 2.365 244 R HA 0.426 4.766 4.340 0.001 0.000 0.223 244 R C 0.106 176.378 176.300 -0.046 0.000 0.899 244 R CA 0.098 56.185 56.100 -0.022 0.000 1.059 244 R CB 0.158 30.447 30.300 -0.018 0.000 1.086 244 R HN 0.582 nan 8.270 nan 0.000 0.522 245 A N 1.105 123.886 122.820 -0.064 0.000 2.771 245 A HA 0.248 4.568 4.320 0.001 0.000 0.301 245 A C -0.451 177.041 177.584 -0.154 0.000 1.194 245 A CA -0.699 51.276 52.037 -0.105 0.000 0.837 245 A CB 0.399 19.342 19.000 -0.095 0.000 1.438 245 A HN 0.099 nan 8.150 nan 0.000 0.436 246 R N 1.868 122.255 120.500 -0.189 0.000 2.494 246 R HA 0.039 4.380 4.340 0.001 0.000 0.291 246 R C -0.283 175.806 176.300 -0.352 0.000 0.953 246 R CA 0.496 56.431 56.100 -0.275 0.000 1.098 246 R CB 0.465 30.522 30.300 -0.405 0.000 0.911 246 R HN 0.664 nan 8.270 nan 0.000 0.407 247 E N 3.526 123.432 120.200 -0.489 0.000 2.354 247 E HA -0.041 4.309 4.350 0.001 0.000 0.269 247 E C 0.250 176.474 176.600 -0.627 0.000 1.036 247 E CA -0.300 55.684 56.400 -0.694 0.000 0.876 247 E CB 0.792 29.674 29.700 -1.364 0.000 1.009 247 E HN 0.564 nan 8.360 nan 0.000 0.416 248 D N 1.189 121.317 120.400 -0.453 0.000 2.149 248 D HA -0.202 4.439 4.640 0.001 0.000 0.198 248 D C 1.682 177.878 176.300 -0.174 0.000 0.990 248 D CA 1.391 55.233 54.000 -0.263 0.000 0.839 248 D CB -0.301 40.415 40.800 -0.139 0.000 0.948 248 D HN 0.589 nan 8.370 nan 0.000 0.460 249 Y N 0.404 120.637 120.300 -0.112 0.000 2.639 249 Y HA 0.030 4.580 4.550 0.001 0.000 0.297 249 Y C 1.879 177.767 175.900 -0.019 0.000 1.151 249 Y CA 0.982 59.074 58.100 -0.014 0.000 1.335 249 Y CB -1.514 36.958 38.460 0.019 0.000 0.994 249 Y HN -0.053 nan 8.280 nan 0.000 0.548 250 T N -2.631 111.799 114.554 -0.207 0.000 3.107 250 T HA 0.096 4.447 4.350 0.001 0.000 0.249 250 T C 0.246 174.912 174.700 -0.057 0.000 1.096 250 T CA -0.384 61.566 62.100 -0.250 0.000 1.012 250 T CB -0.503 68.036 68.868 -0.548 0.000 0.977 250 T HN 0.431 nan 8.240 nan 0.000 0.527 251 E N 0.778 120.945 120.200 -0.056 0.000 2.652 251 E HA -0.041 4.310 4.350 0.001 0.000 0.255 251 E C -0.499 176.141 176.600 0.068 0.000 0.952 251 E CA 0.383 56.653 56.400 -0.218 0.000 0.947 251 E CB -0.056 29.531 29.700 -0.187 0.000 0.912 251 E HN 0.677 nan 8.360 nan 0.000 0.489 252 W N 0.338 121.745 121.300 0.178 0.000 2.046 252 W HA -0.240 4.420 4.660 0.001 0.000 0.263 252 W C 0.478 177.133 176.519 0.227 0.000 1.048 252 W CA -0.077 57.417 57.345 0.250 0.000 0.474 252 W CB -1.349 28.313 29.460 0.336 0.000 2.069 252 W HN 0.401 nan 8.180 nan 0.000 1.264 253 N N 1.383 120.143 118.700 0.101 0.000 2.446 253 N HA 0.217 4.958 4.740 0.001 0.000 0.265 253 N C 0.556 176.103 175.510 0.061 0.000 0.975 253 N CA -0.254 52.670 53.050 -0.210 0.000 0.928 253 N CB 0.759 38.736 38.487 -0.851 0.000 1.160 253 N HN -0.046 nan 8.380 nan 0.000 0.495 254 N N 1.866 120.622 118.700 0.093 0.000 2.515 254 N HA -0.014 4.726 4.740 0.001 0.000 0.185 254 N C 0.171 175.691 175.510 0.017 0.000 1.109 254 N CA 0.276 53.423 53.050 0.163 0.000 0.903 254 N CB 0.258 38.824 38.487 0.131 0.000 0.969 254 N HN 0.541 nan 8.380 nan 0.000 0.450 255 A N 0.802 123.608 122.820 -0.024 0.000 3.282 255 A HA 0.163 4.483 4.320 0.001 0.000 0.287 255 A C 0.479 178.095 177.584 0.053 0.000 1.366 255 A CA -0.688 51.307 52.037 -0.071 0.000 1.069 255 A CB -1.032 17.916 19.000 -0.087 0.000 1.109 255 A HN 0.363 nan 8.150 nan 0.000 0.638 256 Y N -0.870 119.497 120.300 0.112 0.000 2.583 256 Y HA 0.313 4.863 4.550 0.001 0.000 0.293 256 Y C 0.006 175.959 175.900 0.089 0.000 1.157 256 Y CA -0.532 57.612 58.100 0.073 0.000 1.315 256 Y CB -0.474 37.933 38.460 -0.088 0.000 1.021 256 Y HN 0.456 nan 8.280 nan 0.000 0.536 257 D N -1.984 118.358 120.400 -0.097 0.000 2.610 257 D HA 0.163 4.804 4.640 0.001 0.000 0.271 257 D C 0.452 176.787 176.300 0.059 0.000 1.174 257 D CA -0.783 53.256 54.000 0.065 0.000 0.949 257 D CB 0.625 41.464 40.800 0.065 0.000 1.430 257 D HN -0.107 nan 8.370 nan 0.000 0.467 258 E N -0.333 119.955 120.200 0.146 0.000 2.208 258 E HA -0.050 4.300 4.350 0.001 0.000 0.193 258 E C 1.343 177.951 176.600 0.014 0.000 0.988 258 E CA 0.457 56.975 56.400 0.197 0.000 0.828 258 E CB -0.176 29.725 29.700 0.335 0.000 0.763 258 E HN 0.648 nan 8.360 nan 0.000 0.478 259 W N 2.775 123.788 121.300 -0.479 0.000 2.358 259 W HA -0.099 4.561 4.660 0.001 0.000 0.303 259 W C 1.716 178.004 176.519 -0.385 0.000 1.208 259 W CA 1.333 58.275 57.345 -0.672 0.000 1.274 259 W CB -0.196 28.656 29.460 -1.012 0.000 1.138 259 W HN -0.016 nan 8.180 nan 0.000 0.515 260 N N -0.784 117.748 118.700 -0.279 0.000 2.331 260 N HA -0.220 4.520 4.740 0.001 0.000 0.180 260 N C 1.527 176.883 175.510 -0.257 0.000 1.019 260 N CA 1.314 54.109 53.050 -0.425 0.000 0.881 260 N CB -0.831 37.296 38.487 -0.600 0.000 0.972 260 N HN 0.200 nan 8.380 nan 0.000 0.435 261 Y N 2.537 122.664 120.300 -0.290 0.000 2.145 261 Y HA -0.151 4.399 4.550 0.001 0.000 0.286 261 Y C 2.312 178.021 175.900 -0.317 0.000 1.145 261 Y CA 0.756 58.728 58.100 -0.214 0.000 1.148 261 Y CB -0.689 37.708 38.460 -0.106 0.000 0.981 261 Y HN -0.240 nan 8.280 nan 0.000 0.507 262 V N 0.806 120.367 119.914 -0.588 0.000 2.282 262 V HA -0.378 3.742 4.120 0.001 0.000 0.249 262 V C 2.352 178.108 176.094 -0.563 0.000 1.057 262 V CA 2.586 64.302 62.300 -0.973 0.000 1.032 262 V CB -0.661 30.599 31.823 -0.938 0.000 0.645 262 V HN 0.330 nan 8.190 nan 0.000 0.447 263 K N 0.230 120.318 120.400 -0.519 0.000 2.097 263 K HA -0.158 4.163 4.320 0.001 0.000 0.206 263 K C 2.186 178.659 176.600 -0.212 0.000 1.049 263 K CA 1.921 57.960 56.287 -0.414 0.000 0.933 263 K CB -0.451 31.702 32.500 -0.579 0.000 0.717 263 K HN 0.748 nan 8.250 nan 0.000 0.442 264 T N -0.647 113.821 114.554 -0.142 0.000 2.978 264 T HA -0.017 4.333 4.350 0.001 0.000 0.262 264 T C 1.786 176.576 174.700 0.150 0.000 1.063 264 T CA 0.345 62.456 62.100 0.019 0.000 1.140 264 T CB -0.042 68.862 68.868 0.060 0.000 0.886 264 T HN 0.015 nan 8.240 nan 0.000 0.470 265 L N 1.610 122.884 121.223 0.086 0.000 2.162 265 L HA 0.201 4.542 4.340 0.001 0.000 0.205 265 L C 2.528 179.543 176.870 0.241 0.000 1.086 265 L CA 1.537 56.493 54.840 0.193 0.000 0.778 265 L CB -1.239 40.840 42.059 0.034 0.000 0.928 265 L HN 0.197 nan 8.230 nan 0.000 0.446 266 T N 1.116 115.758 114.554 0.147 0.000 2.620 266 T HA -0.175 4.176 4.350 0.001 0.000 0.267 266 T C -0.498 174.257 174.700 0.092 0.000 1.044 266 T CA 2.453 64.651 62.100 0.165 0.000 1.161 266 T CB -1.233 67.690 68.868 0.091 0.000 0.862 266 T HN 0.302 nan 8.240 nan 0.000 0.438 267 P HA -0.069 nan 4.420 nan 0.000 0.218 267 P C 0.847 178.048 177.300 -0.164 0.000 1.148 267 P CA 1.265 64.288 63.100 -0.128 0.000 0.822 267 P CB -0.104 31.440 31.700 -0.261 0.000 0.784 268 H N -1.398 117.711 119.070 0.065 0.000 2.395 268 H HA 0.027 4.584 4.556 0.001 0.000 0.299 268 H C 1.932 177.312 175.328 0.086 0.000 1.070 268 H CA 0.850 56.937 56.048 0.066 0.000 1.356 268 H CB -0.905 28.894 29.762 0.062 0.000 1.401 268 H HN 0.026 nan 8.280 nan 0.000 0.524 269 L N 0.346 121.704 121.223 0.225 0.000 2.012 269 L HA -0.244 4.097 4.340 0.001 0.000 0.210 269 L C 2.286 179.264 176.870 0.180 0.000 1.073 269 L CA 1.478 56.454 54.840 0.227 0.000 0.748 269 L CB -0.494 41.718 42.059 0.255 0.000 0.891 269 L HN 0.365 nan 8.230 nan 0.000 0.431 270 Q N -0.175 119.695 119.800 0.116 0.000 2.084 270 Q HA -0.178 4.162 4.340 0.001 0.000 0.202 270 Q C 2.459 178.495 176.000 0.060 0.000 0.978 270 Q CA 1.554 57.400 55.803 0.072 0.000 0.844 270 Q CB -0.290 28.470 28.738 0.037 0.000 0.898 270 Q HN 0.567 nan 8.270 nan 0.000 0.426 271 A N 0.704 123.555 122.820 0.051 0.000 1.933 271 A HA -0.128 4.193 4.320 0.001 0.000 0.218 271 A C 2.186 179.810 177.584 0.066 0.000 1.175 271 A CA 1.654 53.717 52.037 0.043 0.000 0.628 271 A CB -0.551 18.467 19.000 0.030 0.000 0.814 271 A HN 0.340 nan 8.150 nan 0.000 0.444 272 V N -4.033 115.941 119.914 0.099 0.000 3.608 272 V HA 0.513 4.633 4.120 0.001 0.000 0.269 272 V C 1.259 177.424 176.094 0.118 0.000 1.245 272 V CA 0.692 63.054 62.300 0.104 0.000 1.138 272 V CB -0.817 31.075 31.823 0.114 0.000 0.841 272 V HN 1.572 nan 8.190 nan 0.000 0.451 273 G N 0.298 109.168 108.800 0.116 0.000 2.212 273 G HA2 -0.292 3.669 3.960 0.001 0.000 0.255 273 G HA3 -0.292 3.669 3.960 0.001 0.000 0.255 273 G C -0.417 174.553 174.900 0.116 0.000 1.062 273 G CA 0.317 45.469 45.100 0.087 0.000 0.815 273 G HN 0.818 nan 8.290 nan 0.000 0.497 274 F N 1.940 121.900 119.950 0.018 0.000 2.443 274 F HA 0.667 5.194 4.527 0.001 0.000 0.335 274 F C -1.782 173.998 175.800 -0.034 0.000 1.104 274 F CA -2.589 55.413 58.000 0.003 0.000 1.013 274 F CB 1.812 40.837 39.000 0.043 0.000 1.136 274 F HN -0.004 nan 8.300 nan 0.000 0.470 275 P HA 0.086 nan 4.420 nan 0.000 0.267 275 P C -1.038 176.183 177.300 -0.132 0.000 1.205 275 P CA -0.066 62.840 63.100 -0.322 0.000 0.765 275 P CB 1.018 32.448 31.700 -0.451 0.000 0.828 276 A N 3.956 126.760 122.820 -0.028 0.000 3.293 276 A HA 0.193 4.514 4.320 0.001 0.000 0.282 276 A C 0.211 177.817 177.584 0.035 0.000 1.394 276 A CA -0.243 51.808 52.037 0.023 0.000 1.118 276 A CB -0.346 18.741 19.000 0.146 0.000 1.133 276 A HN 0.398 nan 8.150 nan 0.000 0.627 277 Q N -0.093 119.647 119.800 -0.101 0.000 2.342 277 Q HA 0.663 5.004 4.340 0.001 0.000 0.267 277 Q C -1.479 174.501 176.000 -0.033 0.000 1.038 277 Q CA -0.101 55.741 55.803 0.065 0.000 0.832 277 Q CB 2.131 30.920 28.738 0.085 0.000 1.323 277 Q HN 0.493 nan 8.270 nan 0.000 0.448 278 F N 1.619 121.645 119.950 0.127 0.000 2.563 278 F HA 0.559 5.086 4.527 0.001 0.000 0.316 278 F C 0.324 176.097 175.800 -0.045 0.000 1.076 278 F CA -1.137 56.902 58.000 0.065 0.000 0.921 278 F CB 1.643 40.647 39.000 0.007 0.000 1.209 278 F HN 0.372 nan 8.300 nan 0.000 0.462 279 I N 0.377 120.912 120.570 -0.058 0.000 2.562 279 I HA 0.849 5.020 4.170 0.001 0.000 0.301 279 I C -1.397 174.675 176.117 -0.075 0.000 1.003 279 I CA -1.085 60.072 61.300 -0.239 0.000 1.127 279 I CB 1.869 39.502 38.000 -0.611 0.000 1.304 279 I HN 0.220 nan 8.210 nan 0.000 0.446 280 V N 3.554 123.432 119.914 -0.060 0.000 2.483 280 V HA 0.267 4.388 4.120 0.001 0.000 0.297 280 V C -0.522 175.585 176.094 0.022 0.000 1.027 280 V CA -0.407 61.914 62.300 0.036 0.000 0.855 280 V CB 1.449 33.332 31.823 0.100 0.000 0.995 280 V HN 0.763 nan 8.190 nan 0.000 0.424 281 D N 3.815 124.238 120.400 0.038 0.000 2.383 281 D HA 0.189 4.830 4.640 0.001 0.000 0.252 281 D C 0.401 176.757 176.300 0.092 0.000 1.166 281 D CA 0.302 54.336 54.000 0.058 0.000 0.879 281 D CB 1.274 42.078 40.800 0.007 0.000 1.164 281 D HN 0.486 nan 8.370 nan 0.000 0.462 282 Q N 2.376 122.260 119.800 0.140 0.000 2.112 282 Q HA 0.182 4.523 4.340 0.001 0.000 0.222 282 Q C 1.540 177.470 176.000 -0.117 0.000 0.798 282 Q CA -0.134 55.732 55.803 0.106 0.000 1.060 282 Q CB 1.222 30.075 28.738 0.191 0.000 1.184 282 Q HN 0.665 nan 8.270 nan 0.000 0.475 283 G N 1.195 109.737 108.800 -0.430 0.000 2.462 283 G HA2 -0.231 3.729 3.960 0.001 0.000 0.220 283 G HA3 -0.231 3.729 3.960 0.001 0.000 0.220 283 G C 1.215 175.770 174.900 -0.574 0.000 1.121 283 G CA 0.404 44.833 45.100 -1.119 0.000 0.758 283 G HN 0.159 nan 8.290 nan 0.000 0.559 284 R N -0.206 120.119 120.500 -0.291 0.000 2.690 284 R HA 0.275 4.616 4.340 0.001 0.000 0.419 284 R C 0.438 176.746 176.300 0.014 0.000 1.090 284 R CA -0.069 55.934 56.100 -0.162 0.000 1.064 284 R CB 0.814 30.996 30.300 -0.197 0.000 1.391 284 R HN 0.130 nan 8.270 nan 0.000 0.586 285 S N -0.328 115.384 115.700 0.020 0.000 2.593 285 S HA 0.079 4.549 4.470 0.001 0.000 0.236 285 S C 1.546 176.211 174.600 0.109 0.000 0.991 285 S CA -0.041 58.226 58.200 0.111 0.000 0.963 285 S CB 1.161 64.438 63.200 0.129 0.000 0.865 285 S HN 0.575 nan 8.310 nan 0.000 0.488 286 G N 1.703 110.551 108.800 0.080 0.000 2.422 286 G HA2 -0.089 3.871 3.960 0.001 0.000 0.218 286 G HA3 -0.089 3.871 3.960 0.001 0.000 0.218 286 G C 0.640 175.573 174.900 0.055 0.000 1.140 286 G CA 0.206 45.355 45.100 0.082 0.000 0.775 286 G HN 0.356 nan 8.290 nan 0.000 0.545 287 R N 0.642 121.164 120.500 0.037 0.000 2.437 287 R HA 0.430 4.771 4.340 0.001 0.000 0.310 287 R C -0.576 175.739 176.300 0.025 0.000 0.955 287 R CA -0.415 55.692 56.100 0.013 0.000 0.851 287 R CB 1.204 31.488 30.300 -0.027 0.000 1.161 287 R HN 0.235 nan 8.270 nan 0.000 0.446 288 E N 1.332 121.538 120.200 0.011 0.000 2.302 288 E HA 0.315 4.666 4.350 0.001 0.000 0.255 288 E C 0.223 176.808 176.600 -0.026 0.000 1.099 288 E CA -0.405 55.997 56.400 0.002 0.000 0.929 288 E CB 0.951 30.644 29.700 -0.013 0.000 1.203 288 E HN 0.832 nan 8.360 nan 0.000 0.459 289 G N 0.989 109.764 108.800 -0.041 0.000 2.225 289 G HA2 -0.265 3.696 3.960 0.001 0.000 0.267 289 G HA3 -0.265 3.696 3.960 0.001 0.000 0.267 289 G C 0.583 175.463 174.900 -0.034 0.000 1.024 289 G CA 0.926 45.995 45.100 -0.051 0.000 0.784 289 G HN 0.563 nan 8.290 nan 0.000 0.507 290 I N -3.761 116.794 120.570 -0.026 0.000 3.968 290 I HA 0.490 4.661 4.170 0.001 0.000 0.328 290 I C 0.977 177.060 176.117 -0.055 0.000 1.290 290 I CA -0.254 61.011 61.300 -0.059 0.000 1.163 290 I CB 0.198 38.138 38.000 -0.099 0.000 1.024 290 I HN 0.074 nan 8.210 nan 0.000 0.413 291 R N 0.975 121.487 120.500 0.019 0.000 2.711 291 R HA 0.405 4.746 4.340 0.001 0.000 0.284 291 R C 0.797 177.181 176.300 0.140 0.000 0.968 291 R CA 0.200 56.323 56.100 0.039 0.000 0.924 291 R CB 1.813 32.128 30.300 0.025 0.000 1.162 291 R HN 0.182 nan 8.270 nan 0.000 0.465 292 T N -2.525 112.073 114.554 0.073 0.000 3.014 292 T HA 0.191 4.541 4.350 0.001 0.000 0.250 292 T C 0.241 175.021 174.700 0.135 0.000 1.060 292 T CA 0.181 62.351 62.100 0.115 0.000 1.040 292 T CB 0.335 69.232 68.868 0.048 0.000 0.971 292 T HN 0.510 nan 8.240 nan 0.000 0.497 293 E N -0.614 119.568 120.200 -0.029 0.000 2.314 293 E HA 0.224 4.575 4.350 0.001 0.000 0.272 293 E C -0.675 175.654 176.600 -0.453 0.000 0.884 293 E CA -0.978 55.333 56.400 -0.147 0.000 0.753 293 E CB 1.367 31.053 29.700 -0.024 0.000 1.213 293 E HN 0.026 nan 8.360 nan 0.000 0.432 294 W N 2.481 123.267 121.300 -0.856 0.000 2.374 294 W HA -0.016 4.645 4.660 0.001 0.000 0.288 294 W C 1.572 177.980 176.519 -0.185 0.000 1.218 294 W CA 1.898 58.797 57.345 -0.743 0.000 1.245 294 W CB -0.269 29.028 29.460 -0.272 0.000 1.126 294 W HN 0.777 nan 8.180 nan 0.000 0.545 295 G N -0.140 108.746 108.800 0.143 0.000 2.744 295 G HA2 -0.110 3.850 3.960 0.001 0.000 0.211 295 G HA3 -0.110 3.850 3.960 0.001 0.000 0.211 295 G C 0.584 175.603 174.900 0.199 0.000 1.143 295 G CA -0.282 44.909 45.100 0.153 0.000 0.788 295 G HN 0.205 nan 8.290 nan 0.000 0.534 296 Q N 0.135 119.983 119.800 0.080 0.000 2.297 296 Q HA 0.186 4.526 4.340 0.001 0.000 0.267 296 Q C 0.681 176.736 176.000 0.091 0.000 1.006 296 Q CA -0.074 55.717 55.803 -0.020 0.000 0.896 296 Q CB 0.526 29.203 28.738 -0.103 0.000 1.186 296 Q HN 0.758 nan 8.270 nan 0.000 0.392 297 W N 0.841 122.162 121.300 0.034 0.000 2.340 297 W HA 0.240 4.900 4.660 0.001 0.000 0.250 297 W C -0.289 176.347 176.519 0.195 0.000 0.952 297 W CA -0.427 57.019 57.345 0.168 0.000 1.219 297 W CB -0.195 29.333 29.460 0.113 0.000 0.921 297 W HN 0.467 nan 8.180 nan 0.000 0.603 298 c N 5.787 124.031 118.600 -0.592 0.000 2.281 298 c HA 0.320 4.891 4.570 0.001 0.000 0.336 298 c C 0.874 174.848 174.090 -0.193 0.000 1.217 298 c CA -0.175 55.821 56.329 -0.556 0.000 1.730 298 c CB -1.545 40.275 42.510 -1.150 0.000 2.338 298 c HN 0.324 nan 8.230 nan 0.000 0.521 299 N N 4.720 123.402 118.700 -0.030 0.000 2.688 299 N HA -0.153 4.587 4.740 0.001 0.000 0.258 299 N C -0.300 175.333 175.510 0.205 0.000 1.016 299 N CA 0.736 53.748 53.050 -0.063 0.000 0.747 299 N CB -0.684 37.800 38.487 -0.005 0.000 0.895 299 N HN 0.650 nan 8.380 nan 0.000 0.543 300 I N 0.527 121.182 120.570 0.141 0.000 2.587 300 I HA 0.001 4.171 4.170 0.001 0.000 0.284 300 I C 1.623 177.802 176.117 0.103 0.000 1.134 300 I CA 0.152 61.397 61.300 -0.093 0.000 1.410 300 I CB 0.095 37.688 38.000 -0.677 0.000 1.392 300 I HN 0.112 nan 8.210 nan 0.000 0.545 301 R N 6.016 126.538 120.500 0.036 0.000 2.590 301 R HA 0.017 4.357 4.340 0.001 0.000 0.274 301 R C 0.524 176.721 176.300 -0.171 0.000 1.061 301 R CA 0.401 56.472 56.100 -0.047 0.000 1.081 301 R CB 0.078 30.289 30.300 -0.148 0.000 0.984 301 R HN 0.776 nan 8.270 nan 0.000 0.448 302 N N 0.161 118.696 118.700 -0.276 0.000 2.878 302 N HA -0.240 4.500 4.740 0.001 0.000 0.247 302 N C -0.745 174.609 175.510 -0.259 0.000 1.021 302 N CA 0.438 53.328 53.050 -0.266 0.000 0.873 302 N CB -0.923 37.457 38.487 -0.179 0.000 1.128 302 N HN 0.729 nan 8.380 nan 0.000 0.571 303 A N 0.591 123.229 122.820 -0.303 0.000 2.520 303 A HA 0.521 4.841 4.320 0.001 0.000 0.235 303 A C 1.032 178.437 177.584 -0.297 0.000 1.065 303 A CA 0.919 52.847 52.037 -0.183 0.000 0.764 303 A CB 0.316 19.362 19.000 0.076 0.000 1.002 303 A HN 0.377 nan 8.150 nan 0.000 0.502 304 G N -0.007 108.690 108.800 -0.170 0.000 2.481 304 G HA2 0.559 4.520 3.960 0.001 0.000 0.315 304 G HA3 0.559 4.520 3.960 0.001 0.000 0.315 304 G C -0.572 174.237 174.900 -0.152 0.000 1.231 304 G CA -0.826 44.164 45.100 -0.184 0.000 0.968 304 G HN 0.548 nan 8.290 nan 0.000 0.482 305 F N 0.824 120.719 119.950 -0.092 0.000 2.607 305 F HA 0.308 4.836 4.527 0.001 0.000 0.374 305 F C 1.572 177.361 175.800 -0.018 0.000 1.104 305 F CA 0.791 58.689 58.000 -0.169 0.000 1.296 305 F CB 0.965 39.947 39.000 -0.031 0.000 1.085 305 F HN 0.555 nan 8.300 nan 0.000 0.584 306 G N 3.112 112.020 108.800 0.179 0.000 2.641 306 G HA2 0.458 4.419 3.960 0.001 0.000 0.239 306 G HA3 0.458 4.419 3.960 0.001 0.000 0.239 306 G C -0.381 174.756 174.900 0.394 0.000 1.402 306 G CA -1.071 44.172 45.100 0.237 0.000 1.046 306 G HN 0.551 nan 8.290 nan 0.000 0.565 307 I N 0.787 121.531 120.570 0.290 0.000 2.906 307 I HA -0.042 4.129 4.170 0.001 0.000 0.301 307 I C 0.787 177.097 176.117 0.322 0.000 1.221 307 I CA 0.030 61.465 61.300 0.225 0.000 1.435 307 I CB 0.294 38.352 38.000 0.096 0.000 1.345 307 I HN 0.190 nan 8.210 nan 0.000 0.558 308 R N 7.656 128.230 120.500 0.124 0.000 2.641 308 R HA 0.249 4.590 4.340 0.001 0.000 0.269 308 R C -2.297 173.853 176.300 -0.250 0.000 1.074 308 R CA -1.567 54.426 56.100 -0.179 0.000 1.133 308 R CB -0.151 29.988 30.300 -0.267 0.000 1.029 308 R HN 0.267 nan 8.270 nan 0.000 0.488 309 P HA -0.032 nan 4.420 nan 0.000 0.261 309 P C -0.714 176.476 177.300 -0.183 0.000 1.173 309 P CA 0.656 63.582 63.100 -0.289 0.000 0.760 309 P CB 0.670 32.174 31.700 -0.327 0.000 0.783 310 T N 0.635 115.105 114.554 -0.141 0.000 2.893 310 T HA 0.408 4.758 4.350 0.001 0.000 0.337 310 T C 0.362 175.004 174.700 -0.096 0.000 1.587 310 T CA -0.201 61.839 62.100 -0.101 0.000 1.066 310 T CB 0.656 69.469 68.868 -0.092 0.000 1.414 310 T HN 0.365 nan 8.240 nan 0.000 0.488 311 T N -0.625 113.900 114.554 -0.048 0.000 3.044 311 T HA 0.275 4.626 4.350 0.001 0.000 0.260 311 T C 0.278 174.971 174.700 -0.011 0.000 1.019 311 T CA -0.172 61.912 62.100 -0.026 0.000 0.921 311 T CB 0.030 68.912 68.868 0.024 0.000 1.053 311 T HN 0.508 nan 8.240 nan 0.000 0.533 312 D N 2.345 122.733 120.400 -0.020 0.000 2.389 312 D HA 0.033 4.674 4.640 0.001 0.000 0.263 312 D C 1.186 177.490 176.300 0.006 0.000 1.255 312 D CA 0.079 54.075 54.000 -0.007 0.000 0.914 312 D CB 0.934 41.725 40.800 -0.016 0.000 1.116 312 D HN 0.104 nan 8.370 nan 0.000 0.502 313 Q N 3.070 122.884 119.800 0.023 0.000 2.364 313 Q HA -0.103 4.238 4.340 0.001 0.000 0.207 313 Q C 1.646 177.670 176.000 0.041 0.000 0.970 313 Q CA 0.845 56.676 55.803 0.046 0.000 0.888 313 Q CB -0.096 28.674 28.738 0.054 0.000 0.951 313 Q HN 0.675 nan 8.270 nan 0.000 0.469 314 A N 0.119 122.951 122.820 0.021 0.000 2.015 314 A HA -0.107 4.214 4.320 0.001 0.000 0.219 314 A C 1.956 179.542 177.584 0.004 0.000 1.163 314 A CA 0.918 52.962 52.037 0.011 0.000 0.646 314 A CB -0.224 18.778 19.000 0.003 0.000 0.806 314 A HN 0.312 nan 8.150 nan 0.000 0.448 315 I N -1.828 118.745 120.570 0.006 0.000 2.729 315 I HA -0.042 4.128 4.170 0.001 0.000 0.256 315 I C 2.163 178.308 176.117 0.048 0.000 1.115 315 I CA 0.375 61.677 61.300 0.003 0.000 1.446 315 I CB -0.116 37.869 38.000 -0.025 0.000 1.176 315 I HN 0.070 nan 8.210 nan 0.000 0.446 316 V N 0.214 120.158 119.914 0.049 0.000 2.358 316 V HA -0.255 3.865 4.120 0.001 0.000 0.246 316 V C 0.929 177.213 176.094 0.316 0.000 1.047 316 V CA 1.749 64.128 62.300 0.133 0.000 1.035 316 V CB -0.636 31.222 31.823 0.059 0.000 0.658 316 V HN 0.646 nan 8.190 nan 0.000 0.452 317 D N 0.215 120.736 120.400 0.201 0.000 2.723 317 D HA -0.187 4.454 4.640 0.001 0.000 0.236 317 D C -0.115 176.442 176.300 0.429 0.000 1.138 317 D CA 1.046 55.185 54.000 0.232 0.000 0.676 317 D CB -1.119 39.724 40.800 0.073 0.000 1.069 317 D HN 0.551 nan 8.370 nan 0.000 0.430 318 S N -1.748 114.140 115.700 0.313 0.000 2.590 318 S HA 0.638 5.109 4.470 0.001 0.000 0.286 318 S C 0.767 175.464 174.600 0.162 0.000 1.147 318 S CA 0.092 58.441 58.200 0.249 0.000 0.963 318 S CB 0.876 64.231 63.200 0.258 0.000 1.124 318 S HN 0.536 nan 8.310 nan 0.000 0.458 319 A N 4.170 127.060 122.820 0.117 0.000 2.070 319 A HA -0.015 4.305 4.320 0.001 0.000 0.220 319 A C 1.342 178.993 177.584 0.112 0.000 1.159 319 A CA 1.763 53.858 52.037 0.097 0.000 0.656 319 A CB -0.713 18.330 19.000 0.073 0.000 0.800 319 A HN 0.847 nan 8.150 nan 0.000 0.453 320 N N -1.126 117.648 118.700 0.124 0.000 2.398 320 N HA 0.170 4.911 4.740 0.001 0.000 0.188 320 N C -0.610 175.064 175.510 0.273 0.000 1.122 320 N CA 0.167 53.331 53.050 0.189 0.000 0.866 320 N CB 0.703 39.300 38.487 0.183 0.000 0.970 320 N HN 0.202 nan 8.380 nan 0.000 0.462 321 V N 1.074 121.111 119.914 0.205 0.000 2.357 321 V HA 0.128 4.248 4.120 0.001 0.000 0.284 321 V C 0.160 176.334 176.094 0.134 0.000 1.018 321 V CA -0.521 61.902 62.300 0.205 0.000 0.841 321 V CB 1.604 33.552 31.823 0.209 0.000 0.991 321 V HN 0.044 nan 8.190 nan 0.000 0.437 322 D N 3.321 123.794 120.400 0.122 0.000 2.123 322 D HA 0.199 4.839 4.640 0.001 0.000 0.200 322 D C 0.715 176.977 176.300 -0.063 0.000 0.976 322 D CA 1.672 55.722 54.000 0.083 0.000 0.831 322 D CB 0.398 41.310 40.800 0.185 0.000 0.974 322 D HN 0.738 nan 8.370 nan 0.000 0.469 323 A N -0.742 121.957 122.820 -0.202 0.000 2.599 323 A HA 0.507 4.827 4.320 0.001 0.000 0.294 323 A C -1.302 176.102 177.584 -0.301 0.000 1.055 323 A CA -0.692 51.143 52.037 -0.336 0.000 0.683 323 A CB 0.577 19.117 19.000 -0.767 0.000 1.278 323 A HN 0.001 nan 8.150 nan 0.000 0.412 324 I N 1.735 122.150 120.570 -0.259 0.000 2.395 324 I HA 0.500 4.670 4.170 0.001 0.000 0.289 324 I C 0.213 176.248 176.117 -0.135 0.000 1.023 324 I CA -0.392 60.787 61.300 -0.203 0.000 1.350 324 I CB 1.448 39.312 38.000 -0.226 0.000 1.409 324 I HN 0.664 nan 8.210 nan 0.000 0.507 325 V N 2.447 122.355 119.914 -0.009 0.000 3.141 325 V HA 0.577 4.698 4.120 0.001 0.000 0.312 325 V C -1.793 174.553 176.094 0.419 0.000 1.157 325 V CA -0.769 61.608 62.300 0.128 0.000 1.041 325 V CB 2.257 34.186 31.823 0.177 0.000 1.071 325 V HN 0.631 nan 8.190 nan 0.000 0.441 326 W N 1.437 122.820 121.300 0.138 0.000 2.338 326 W HA 0.755 5.416 4.660 0.001 0.000 0.315 326 W C 0.418 177.070 176.519 0.221 0.000 1.005 326 W CA -1.184 56.243 57.345 0.136 0.000 1.380 326 W CB 0.957 30.486 29.460 0.115 0.000 1.235 326 W HN 0.491 nan 8.180 nan 0.000 0.409 327 V N 1.820 121.884 119.914 0.250 0.000 2.326 327 V HA -0.055 4.065 4.120 0.001 0.000 0.238 327 V C 0.979 177.335 176.094 0.438 0.000 1.038 327 V CA 0.787 63.133 62.300 0.077 0.000 1.032 327 V CB -0.622 30.980 31.823 -0.368 0.000 0.675 327 V HN 0.147 nan 8.190 nan 0.000 0.467 328 K N 3.098 123.696 120.400 0.330 0.000 2.383 328 K HA 0.160 4.480 4.320 0.001 0.000 0.286 328 K C -2.778 173.889 176.600 0.112 0.000 1.051 328 K CA -1.781 54.644 56.287 0.230 0.000 0.974 328 K CB 0.591 33.101 32.500 0.018 0.000 0.968 328 K HN 0.181 nan 8.250 nan 0.000 0.475 329 P HA 0.165 nan 4.420 nan 0.000 0.280 329 P C -0.378 177.008 177.300 0.144 0.000 1.300 329 P CA -0.430 62.658 63.100 -0.020 0.000 0.785 329 P CB 1.283 32.881 31.700 -0.170 0.000 0.874 330 G N 2.447 111.393 108.800 0.244 0.000 2.272 330 G HA2 0.331 4.292 3.960 0.001 0.000 0.247 330 G HA3 0.331 4.292 3.960 0.001 0.000 0.247 330 G C 1.036 176.111 174.900 0.292 0.000 1.272 330 G CA 0.398 45.640 45.100 0.237 0.000 0.921 330 G HN 0.798 nan 8.290 nan 0.000 0.495 331 G N 1.742 110.532 108.800 -0.017 0.000 2.278 331 G HA2 -0.213 3.748 3.960 0.001 0.000 0.210 331 G HA3 -0.213 3.748 3.960 0.001 0.000 0.210 331 G C 0.265 174.916 174.900 -0.414 0.000 1.000 331 G CA 0.079 44.868 45.100 -0.518 0.000 0.635 331 G HN 0.735 nan 8.290 nan 0.000 0.495 332 E N 1.799 121.993 120.200 -0.011 0.000 2.180 332 E HA 0.460 4.810 4.350 0.001 0.000 0.283 332 E C 0.405 176.953 176.600 -0.086 0.000 1.061 332 E CA 0.178 56.613 56.400 0.058 0.000 0.861 332 E CB 1.342 31.112 29.700 0.117 0.000 1.056 332 E HN 0.225 nan 8.360 nan 0.000 0.407 333 S N 2.534 118.193 115.700 -0.068 0.000 2.563 333 S HA -0.060 4.411 4.470 0.001 0.000 0.284 333 S C 0.623 175.166 174.600 -0.095 0.000 1.331 333 S CA -0.389 57.748 58.200 -0.106 0.000 1.047 333 S CB 0.454 63.569 63.200 -0.142 0.000 0.859 333 S HN 0.412 nan 8.310 nan 0.000 0.514 334 D N 2.185 122.537 120.400 -0.078 0.000 2.347 334 D HA 0.248 4.889 4.640 0.001 0.000 0.213 334 D C 0.843 177.215 176.300 0.120 0.000 0.985 334 D CA 0.979 55.018 54.000 0.065 0.000 0.879 334 D CB 0.128 41.044 40.800 0.193 0.000 0.919 334 D HN 0.728 nan 8.370 nan 0.000 0.526 335 G N -0.641 108.159 108.800 -0.001 0.000 2.347 335 G HA2 0.141 4.102 3.960 0.001 0.000 0.303 335 G HA3 0.141 4.102 3.960 0.001 0.000 0.303 335 G C -1.067 173.788 174.900 -0.076 0.000 1.481 335 G CA -0.734 44.363 45.100 -0.005 0.000 0.914 335 G HN -0.086 nan 8.290 nan 0.000 0.638 336 T N -0.912 113.619 114.554 -0.038 0.000 2.897 336 T HA 0.504 4.854 4.350 0.001 0.000 0.294 336 T C 1.658 176.397 174.700 0.065 0.000 1.004 336 T CA 0.717 62.799 62.100 -0.031 0.000 1.106 336 T CB 0.809 69.680 68.868 0.006 0.000 0.949 336 T HN 1.586 nan 8.240 nan 0.000 0.520 337 S N 2.437 118.162 115.700 0.042 0.000 2.556 337 S HA 0.121 4.591 4.470 0.001 0.000 0.216 337 S C 0.444 175.128 174.600 0.141 0.000 0.970 337 S CA -0.466 57.826 58.200 0.154 0.000 0.912 337 S CB 0.046 63.273 63.200 0.045 0.000 0.790 337 S HN 0.755 nan 8.310 nan 0.000 0.504 338 D N 3.029 123.465 120.400 0.059 0.000 2.338 338 D HA 0.089 4.730 4.640 0.001 0.000 0.255 338 D C 1.644 177.741 176.300 -0.339 0.000 1.237 338 D CA 0.060 54.001 54.000 -0.099 0.000 0.883 338 D CB 1.630 42.390 40.800 -0.067 0.000 1.087 338 D HN 0.155 nan 8.370 nan 0.000 0.485 339 V N 2.592 122.099 119.914 -0.679 0.000 2.688 339 V HA -0.194 3.926 4.120 0.001 0.000 0.256 339 V C 1.521 177.211 176.094 -0.673 0.000 1.084 339 V CA 1.661 63.190 62.300 -1.286 0.000 1.103 339 V CB -0.662 30.692 31.823 -0.783 0.000 0.688 339 V HN 0.387 nan 8.190 nan 0.000 0.480 340 N N 0.581 119.084 118.700 -0.328 0.000 2.280 340 N HA 0.343 5.084 4.740 0.001 0.000 0.192 340 N C 0.640 176.109 175.510 -0.069 0.000 1.109 340 N CA 0.581 53.537 53.050 -0.158 0.000 0.855 340 N CB 0.095 38.512 38.487 -0.117 0.000 0.974 340 N HN 0.753 nan 8.380 nan 0.000 0.482 341 A N -0.295 122.501 122.820 -0.039 0.000 2.445 341 A HA 0.168 4.489 4.320 0.001 0.000 0.242 341 A C 1.485 179.116 177.584 0.078 0.000 1.075 341 A CA -0.330 51.727 52.037 0.034 0.000 0.777 341 A CB 0.419 19.459 19.000 0.067 0.000 1.013 341 A HN 0.090 nan 8.150 nan 0.000 0.493 342 V N 2.416 122.363 119.914 0.055 0.000 2.469 342 V HA -0.152 3.969 4.120 0.001 0.000 0.251 342 V C 1.942 178.085 176.094 0.081 0.000 1.064 342 V CA 1.815 64.150 62.300 0.058 0.000 1.066 342 V CB -0.653 31.191 31.823 0.035 0.000 0.667 342 V HN 0.784 nan 8.190 nan 0.000 0.461 343 R N -0.781 119.772 120.500 0.088 0.000 2.552 343 R HA 0.206 4.546 4.340 0.001 0.000 0.314 343 R C 0.158 176.524 176.300 0.110 0.000 1.041 343 R CA -0.517 55.631 56.100 0.081 0.000 1.076 343 R CB -0.220 30.112 30.300 0.052 0.000 1.290 343 R HN 0.445 nan 8.270 nan 0.000 0.563 344 F N 2.459 122.410 119.950 0.001 0.000 2.623 344 F HA -0.063 4.465 4.527 0.001 0.000 0.383 344 F C 0.233 176.042 175.800 0.014 0.000 1.077 344 F CA -0.093 57.905 58.000 -0.005 0.000 1.268 344 F CB 0.334 39.326 39.000 -0.013 0.000 1.053 344 F HN -0.066 nan 8.300 nan 0.000 0.571 345 D N 5.475 125.405 120.400 -0.784 0.000 2.408 345 D HA 0.101 4.742 4.640 0.001 0.000 0.243 345 D C 0.774 176.401 176.300 -1.123 0.000 1.075 345 D CA -0.294 53.292 54.000 -0.690 0.000 0.832 345 D CB 1.201 41.879 40.800 -0.204 0.000 1.162 345 D HN 0.779 nan 8.370 nan 0.000 0.515 346 E N 2.868 122.513 120.200 -0.924 0.000 2.267 346 E HA -0.216 4.134 4.350 0.001 0.000 0.197 346 E C 0.674 177.080 176.600 -0.324 0.000 0.998 346 E CA 0.730 56.794 56.400 -0.559 0.000 0.830 346 E CB -0.060 29.534 29.700 -0.178 0.000 0.751 346 E HN 0.345 nan 8.360 nan 0.000 0.491 347 N N 0.531 119.034 118.700 -0.329 0.000 2.364 347 N HA -0.102 4.638 4.740 0.001 0.000 0.183 347 N C 1.171 176.371 175.510 -0.518 0.000 1.022 347 N CA 1.309 54.119 53.050 -0.400 0.000 0.883 347 N CB -0.231 37.983 38.487 -0.456 0.000 0.965 347 N HN 0.336 nan 8.380 nan 0.000 0.438 348 c N 0.339 118.667 118.600 -0.453 0.000 2.576 348 c HA 0.191 4.762 4.570 0.001 0.000 0.267 348 c C 1.616 175.632 174.090 -0.122 0.000 1.364 348 c CA -0.235 55.899 56.329 -0.325 0.000 1.723 348 c CB -0.965 41.392 42.510 -0.255 0.000 1.778 348 c HN 0.292 nan 8.230 nan 0.000 0.572 349 R N 0.799 121.252 120.500 -0.078 0.000 2.652 349 R HA 0.097 4.438 4.340 0.001 0.000 0.372 349 R C 0.729 177.010 176.300 -0.031 0.000 1.104 349 R CA -0.040 56.071 56.100 0.017 0.000 1.072 349 R CB 0.393 30.784 30.300 0.152 0.000 1.367 349 R HN 0.521 nan 8.270 nan 0.000 0.577 350 S N 0.662 116.301 115.700 -0.103 0.000 2.569 350 S HA 0.094 4.564 4.470 0.001 0.000 0.274 350 S C -1.483 173.080 174.600 -0.062 0.000 1.353 350 S CA -0.927 57.214 58.200 -0.098 0.000 1.023 350 S CB 0.814 63.918 63.200 -0.160 0.000 0.876 350 S HN -0.086 nan 8.310 nan 0.000 0.540 351 P HA 0.045 nan 4.420 nan 0.000 0.223 351 P C 0.829 178.102 177.300 -0.046 0.000 1.144 351 P CA 1.461 64.540 63.100 -0.036 0.000 0.783 351 P CB -0.154 31.530 31.700 -0.027 0.000 0.771 352 A N -1.817 120.963 122.820 -0.065 0.000 2.348 352 A HA 0.224 4.545 4.320 0.001 0.000 0.224 352 A C 1.017 178.557 177.584 -0.073 0.000 1.227 352 A CA 0.153 52.144 52.037 -0.077 0.000 0.885 352 A CB -0.283 18.659 19.000 -0.096 0.000 0.933 352 A HN 0.070 nan 8.150 nan 0.000 0.506 353 S N -0.099 115.567 115.700 -0.057 0.000 2.584 353 S HA 0.264 4.734 4.470 0.001 0.000 0.273 353 S C -0.204 174.455 174.600 0.099 0.000 1.311 353 S CA -0.328 57.868 58.200 -0.006 0.000 1.034 353 S CB 0.403 63.568 63.200 -0.059 0.000 0.939 353 S HN 0.588 nan 8.310 nan 0.000 0.513 354 H N 1.474 120.605 119.070 0.101 0.000 2.723 354 H HA 0.497 5.053 4.556 0.001 0.000 0.294 354 H C -0.989 174.483 175.328 0.240 0.000 1.079 354 H CA -0.465 55.694 56.048 0.185 0.000 1.411 354 H CB 0.256 30.193 29.762 0.292 0.000 1.439 354 H HN 0.226 nan 8.280 nan 0.000 0.474 355 V N 7.360 127.527 119.914 0.422 0.000 2.735 355 V HA 0.292 4.413 4.120 0.001 0.000 0.310 355 V C -1.871 174.370 176.094 0.245 0.000 1.061 355 V CA -1.543 60.896 62.300 0.232 0.000 0.913 355 V CB 1.801 33.688 31.823 0.107 0.000 1.005 355 V HN 0.844 nan 8.190 nan 0.000 0.428 356 P HA 0.654 nan 4.420 nan 0.000 0.278 356 P C -1.015 176.145 177.300 -0.234 0.000 1.238 356 P CA -0.273 62.813 63.100 -0.022 0.000 0.794 356 P CB 1.548 33.219 31.700 -0.047 0.000 0.955 357 A N 3.527 126.111 122.820 -0.392 0.000 2.401 357 A HA 0.790 5.110 4.320 0.001 0.000 0.310 357 A C -2.648 174.588 177.584 -0.579 0.000 1.075 357 A CA -1.671 49.819 52.037 -0.913 0.000 0.746 357 A CB 1.398 20.022 19.000 -0.627 0.000 1.277 357 A HN 0.411 nan 8.150 nan 0.000 0.425 358 P HA 0.289 nan 4.420 nan 0.000 0.284 358 P C -0.616 176.562 177.300 -0.204 0.000 1.292 358 P CA -0.410 62.499 63.100 -0.317 0.000 0.800 358 P CB 0.469 32.009 31.700 -0.267 0.000 1.188 359 E N -0.552 119.585 120.200 -0.104 0.000 2.459 359 E HA 0.128 4.479 4.350 0.001 0.000 0.264 359 E C 0.265 176.837 176.600 -0.046 0.000 1.055 359 E CA 0.232 56.602 56.400 -0.051 0.000 0.957 359 E CB -0.006 29.683 29.700 -0.019 0.000 0.952 359 E HN 0.493 nan 8.360 nan 0.000 0.448 360 A N 1.391 124.199 122.820 -0.020 0.000 2.584 360 A HA 0.284 4.604 4.320 0.001 0.000 0.239 360 A C 1.411 178.989 177.584 -0.010 0.000 1.043 360 A CA 0.989 53.019 52.037 -0.012 0.000 0.756 360 A CB -0.525 18.486 19.000 0.018 0.000 0.963 360 A HN 0.818 nan 8.150 nan 0.000 0.511 361 G N 1.324 110.111 108.800 -0.021 0.000 2.253 361 G HA2 -0.205 3.755 3.960 0.001 0.000 0.251 361 G HA3 -0.205 3.755 3.960 0.001 0.000 0.251 361 G C 0.191 175.139 174.900 0.079 0.000 0.998 361 G CA 0.429 45.536 45.100 0.010 0.000 0.621 361 G HN 0.838 nan 8.290 nan 0.000 0.524 362 E N -0.218 120.017 120.200 0.059 0.000 2.373 362 E HA 0.185 4.536 4.350 0.001 0.000 0.263 362 E C 0.146 176.855 176.600 0.181 0.000 1.073 362 E CA -0.736 55.729 56.400 0.108 0.000 0.894 362 E CB 0.552 30.275 29.700 0.039 0.000 1.008 362 E HN 0.369 nan 8.360 nan 0.000 0.420 363 W N 3.472 124.792 121.300 0.034 0.000 2.253 363 W HA 0.036 4.697 4.660 0.001 0.000 0.322 363 W C -0.867 175.723 176.519 0.118 0.000 1.342 363 W CA -0.258 57.133 57.345 0.077 0.000 1.218 363 W CB 0.383 29.878 29.460 0.058 0.000 1.205 363 W HN 0.241 nan 8.180 nan 0.000 0.551 364 F N 7.444 127.001 119.950 -0.655 0.000 2.453 364 F HA 0.158 4.685 4.527 0.001 0.000 0.358 364 F C 0.802 176.206 175.800 -0.661 0.000 1.129 364 F CA -1.432 56.263 58.000 -0.509 0.000 1.200 364 F CB -0.372 38.356 39.000 -0.454 0.000 1.431 364 F HN 0.408 nan 8.300 nan 0.000 0.503 365 N N 2.109 120.658 118.700 -0.252 0.000 2.166 365 N HA -0.194 4.547 4.740 0.001 0.000 0.186 365 N C 1.456 176.771 175.510 -0.324 0.000 1.019 365 N CA 1.806 54.697 53.050 -0.265 0.000 0.856 365 N CB 0.303 38.812 38.487 0.037 0.000 0.993 365 N HN 0.516 nan 8.380 nan 0.000 0.426 366 E N -0.877 119.168 120.200 -0.258 0.000 2.160 366 E HA -0.133 4.217 4.350 0.001 0.000 0.195 366 E C 1.434 177.755 176.600 -0.465 0.000 0.991 366 E CA 0.779 56.985 56.400 -0.324 0.000 0.810 366 E CB -0.286 29.349 29.700 -0.109 0.000 0.742 366 E HN 0.453 nan 8.360 nan 0.000 0.466 367 F N -0.085 119.241 119.950 -1.041 0.000 2.234 367 F HA -0.117 4.410 4.527 0.001 0.000 0.296 367 F C 1.867 177.311 175.800 -0.594 0.000 1.089 367 F CA 0.735 58.120 58.000 -1.026 0.000 1.343 367 F CB 0.110 38.129 39.000 -1.634 0.000 1.040 367 F HN -0.151 nan 8.300 nan 0.000 0.498 368 V N -0.736 118.949 119.914 -0.381 0.000 2.427 368 V HA -0.248 3.873 4.120 0.001 0.000 0.248 368 V C 2.351 178.354 176.094 -0.152 0.000 1.051 368 V CA 1.403 63.552 62.300 -0.252 0.000 1.048 368 V CB -0.781 30.968 31.823 -0.123 0.000 0.666 368 V HN 0.217 nan 8.190 nan 0.000 0.456 369 V N 0.985 120.774 119.914 -0.209 0.000 2.282 369 V HA -0.301 3.820 4.120 0.001 0.000 0.249 369 V C 2.370 178.465 176.094 0.001 0.000 1.057 369 V CA 2.443 64.679 62.300 -0.107 0.000 1.032 369 V CB -0.813 30.752 31.823 -0.431 0.000 0.645 369 V HN 0.580 nan 8.190 nan 0.000 0.447 370 N N -0.229 118.344 118.700 -0.213 0.000 2.244 370 N HA -0.040 4.701 4.740 0.001 0.000 0.183 370 N C 1.722 177.034 175.510 -0.330 0.000 1.016 370 N CA 1.030 53.928 53.050 -0.254 0.000 0.866 370 N CB -0.391 37.877 38.487 -0.366 0.000 0.980 370 N HN 0.398 nan 8.380 nan 0.000 0.430 371 L N 0.104 121.018 121.223 -0.515 0.000 2.083 371 L HA -0.131 4.210 4.340 0.001 0.000 0.209 371 L C 2.065 178.744 176.870 -0.319 0.000 1.083 371 L CA 0.735 55.154 54.840 -0.701 0.000 0.752 371 L CB -0.313 40.931 42.059 -1.358 0.000 0.899 371 L HN -0.007 nan 8.230 nan 0.000 0.433 372 V N -0.007 119.920 119.914 0.023 0.000 2.270 372 V HA -0.280 3.840 4.120 0.001 0.000 0.245 372 V C 2.261 178.437 176.094 0.137 0.000 1.043 372 V CA 1.822 64.294 62.300 0.288 0.000 1.014 372 V CB -0.270 31.777 31.823 0.373 0.000 0.645 372 V HN 0.297 nan 8.190 nan 0.000 0.447 373 I N 0.586 121.210 120.570 0.090 0.000 2.286 373 I HA -0.233 3.937 4.170 0.001 0.000 0.248 373 I C 1.624 177.748 176.117 0.012 0.000 1.115 373 I CA 1.826 63.154 61.300 0.047 0.000 1.392 373 I CB -0.381 37.660 38.000 0.068 0.000 1.065 373 I HN 0.384 nan 8.210 nan 0.000 0.418 374 N N 0.607 119.291 118.700 -0.027 0.000 2.270 374 N HA 0.229 4.970 4.740 0.001 0.000 0.198 374 N C 0.249 175.759 175.510 -0.000 0.000 1.117 374 N CA -0.101 52.925 53.050 -0.040 0.000 0.845 374 N CB 0.302 38.727 38.487 -0.103 0.000 0.980 374 N HN 0.190 nan 8.380 nan 0.000 0.486 375 A N 0.837 123.694 122.820 0.062 0.000 2.540 375 A HA 0.205 4.526 4.320 0.001 0.000 0.239 375 A C 0.078 177.728 177.584 0.110 0.000 1.061 375 A CA 0.350 52.476 52.037 0.148 0.000 0.758 375 A CB 0.013 19.175 19.000 0.271 0.000 0.991 375 A HN 0.325 nan 8.150 nan 0.000 0.502 376 N N 1.517 120.290 118.700 0.122 0.000 2.397 376 N HA 0.540 5.281 4.740 0.001 0.000 0.291 376 N C -2.989 172.591 175.510 0.117 0.000 1.065 376 N CA -1.367 51.740 53.050 0.095 0.000 0.884 376 N CB 2.463 40.989 38.487 0.065 0.000 1.551 376 N HN 0.369 nan 8.380 nan 0.000 0.487 377 P HA 0.235 nan 4.420 nan 0.000 0.270 377 P C -2.630 174.719 177.300 0.082 0.000 1.223 377 P CA -0.858 62.285 63.100 0.071 0.000 0.785 377 P CB -0.328 31.404 31.700 0.054 0.000 0.923 378 P HA 0.065 nan 4.420 nan 0.000 0.267 378 P C -0.088 177.246 177.300 0.058 0.000 1.200 378 P CA 0.305 63.440 63.100 0.058 0.000 0.772 378 P CB 0.235 31.954 31.700 0.032 0.000 0.855 379 L N 2.467 123.729 121.223 0.066 0.000 2.410 379 L HA 0.063 4.403 4.340 0.001 0.000 0.273 379 L C 1.091 177.956 176.870 -0.007 0.000 1.152 379 L CA 0.227 55.093 54.840 0.043 0.000 0.855 379 L CB -0.066 42.028 42.059 0.060 0.000 1.129 379 L HN 0.349 nan 8.230 nan 0.000 0.463 380 E N 5.415 125.602 120.200 -0.021 0.000 2.344 380 E HA 0.139 4.489 4.350 0.001 0.000 0.270 380 E C -2.140 174.402 176.600 -0.096 0.000 1.021 380 E CA -1.705 54.669 56.400 -0.043 0.000 0.887 380 E CB 0.468 30.150 29.700 -0.031 0.000 0.997 380 E HN 0.312 nan 8.360 nan 0.000 0.429 381 P HA 0.024 nan 4.420 nan 0.000 0.275 381 P C -0.758 176.358 177.300 -0.307 0.000 1.227 381 P CA -0.326 62.563 63.100 -0.351 0.000 0.781 381 P CB 0.828 32.115 31.700 -0.688 0.000 0.906 382 T N 3.684 118.070 114.554 -0.280 0.000 2.929 382 T HA 0.304 4.655 4.350 0.001 0.000 0.331 382 T C -0.048 174.560 174.700 -0.152 0.000 1.120 382 T CA 0.082 62.092 62.100 -0.150 0.000 0.973 382 T CB -0.555 68.268 68.868 -0.076 0.000 1.036 382 T HN 0.187 nan 8.240 nan 0.000 0.502 383 Y N 0.000 120.302 120.300 0.004 0.000 2.660 383 Y HA 0.000 4.551 4.550 0.001 0.000 0.201 383 Y CA 0.000 58.103 58.100 0.005 0.000 1.940 383 Y CB 0.000 38.461 38.460 0.002 0.000 1.050 383 Y HN 0.000 nan 8.280 nan 0.000 0.758