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 1lbt_1_B DATA FIRST_RESID 1 DATA SEQUENCE LPSGSDPAFS QPKSVLDAGL TcQGASPSSV SKPILLVPGT GTTGPQSFDS DATA SEQUENCE NWIPLSTQLG YTPcWISPPP FMLNDTQVNT EYMVNAITAL YAGSGNNKLP DATA SEQUENCE VLTWSQGGLV AQWGLTFFPS IRSKVDRLMA FAPDYKGTVL AGPLDALAVS DATA SEQUENCE APSVWQQTTG SALTTALRNA GGLTQIVPTT NLYSATDEIV QPQVSNSPLD DATA SEQUENCE SSYLFNGKNV QAQAVcGPLF VIDHAGSLTS QFSYVVGRSA LRSTTGQARS DATA SEQUENCE ADYGITDcNP LPANDLTPEQ KVAAAALLAP AAAAIVAGPK QNcEPDLMPY DATA SEQUENCE ARPFAVGKRT cSGIVTP 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 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.763 176.870 -0.178 0.000 1.165 1 L CA 0.000 54.718 54.840 -0.203 0.000 0.813 1 L CB 0.000 41.952 42.059 -0.178 0.000 0.961 2 P HA 0.565 nan 4.420 nan 0.000 0.269 2 P C -1.115 176.108 177.300 -0.129 0.000 1.215 2 P CA -0.193 62.812 63.100 -0.158 0.000 0.780 2 P CB 0.824 32.367 31.700 -0.261 0.000 0.898 3 S N -0.430 115.228 115.700 -0.070 0.000 2.732 3 S HA 0.871 5.341 4.470 -0.001 0.000 0.293 3 S C 0.079 174.643 174.600 -0.060 0.000 1.159 3 S CA -0.106 58.052 58.200 -0.070 0.000 0.847 3 S CB 1.544 64.713 63.200 -0.052 0.000 1.169 3 S HN 0.945 nan 8.310 nan 0.000 0.501 4 G N 0.681 109.446 108.800 -0.059 0.000 2.482 4 G HA2 0.024 3.983 3.960 -0.001 0.000 0.214 4 G HA3 0.024 3.983 3.960 -0.001 0.000 0.214 4 G C -0.291 174.565 174.900 -0.072 0.000 1.271 4 G CA -0.328 44.738 45.100 -0.056 0.000 0.944 4 G HN 1.418 nan 8.290 nan 0.000 0.568 5 S N 0.796 116.450 115.700 -0.076 0.000 2.603 5 S HA 0.509 4.978 4.470 -0.001 0.000 0.268 5 S C -0.094 174.419 174.600 -0.146 0.000 1.317 5 S CA -0.261 57.885 58.200 -0.091 0.000 1.012 5 S CB 1.027 64.180 63.200 -0.079 0.000 0.926 5 S HN 0.621 nan 8.310 nan 0.000 0.539 6 D N 2.248 122.560 120.400 -0.146 0.000 2.382 6 D HA 0.351 4.990 4.640 -0.001 0.000 0.245 6 D C -2.100 174.005 176.300 -0.326 0.000 1.120 6 D CA -1.044 52.820 54.000 -0.227 0.000 0.890 6 D CB 0.145 40.938 40.800 -0.013 0.000 1.201 6 D HN 0.174 nan 8.370 nan 0.000 0.433 7 P HA 0.228 nan 4.420 nan 0.000 0.272 7 P C -0.929 176.251 177.300 -0.200 0.000 1.230 7 P CA -0.401 62.440 63.100 -0.431 0.000 0.788 7 P CB 0.574 31.780 31.700 -0.825 0.000 0.949 8 A N 1.578 124.359 122.820 -0.066 0.000 2.386 8 A HA 0.363 4.682 4.320 -0.001 0.000 0.248 8 A C -0.368 177.293 177.584 0.127 0.000 1.082 8 A CA -0.105 51.909 52.037 -0.038 0.000 0.789 8 A CB -0.462 18.548 19.000 0.016 0.000 1.025 8 A HN 0.336 nan 8.150 nan 0.000 0.490 9 F N 1.136 121.172 119.950 0.143 0.000 2.412 9 F HA 0.243 4.769 4.527 -0.001 0.000 0.348 9 F C 1.893 177.749 175.800 0.093 0.000 1.102 9 F CA -0.037 58.039 58.000 0.127 0.000 1.196 9 F CB 1.310 40.337 39.000 0.046 0.000 1.144 9 F HN 0.661 nan 8.300 nan 0.000 0.541 10 S N 1.272 117.157 115.700 0.308 0.000 2.446 10 S HA 0.035 4.505 4.470 -0.001 0.000 0.225 10 S C 0.544 175.209 174.600 0.110 0.000 1.016 10 S CA 0.101 58.407 58.200 0.177 0.000 0.943 10 S CB -0.083 63.210 63.200 0.154 0.000 0.786 10 S HN 0.582 nan 8.310 nan 0.000 0.508 11 Q N 2.068 121.908 119.800 0.068 0.000 2.214 11 Q HA 0.535 4.874 4.340 -0.001 0.000 0.251 11 Q C -2.804 173.181 176.000 -0.024 0.000 0.936 11 Q CA -2.483 53.306 55.803 -0.022 0.000 0.894 11 Q CB 0.360 29.011 28.738 -0.145 0.000 1.252 11 Q HN 0.209 nan 8.270 nan 0.000 0.448 12 P HA 0.067 nan 4.420 nan 0.000 0.271 12 P C 0.545 177.805 177.300 -0.067 0.000 1.216 12 P CA -0.100 62.992 63.100 -0.013 0.000 0.776 12 P CB 0.804 32.498 31.700 -0.010 0.000 0.881 13 K N 1.902 122.289 120.400 -0.020 0.000 2.103 13 K HA -0.171 4.148 4.320 -0.001 0.000 0.207 13 K C 1.733 178.285 176.600 -0.081 0.000 1.048 13 K CA 2.116 58.371 56.287 -0.053 0.000 0.930 13 K CB -0.311 32.208 32.500 0.032 0.000 0.716 13 K HN 0.550 nan 8.250 nan 0.000 0.444 14 S N 0.070 115.744 115.700 -0.043 0.000 2.383 14 S HA -0.133 4.337 4.470 -0.001 0.000 0.229 14 S C 2.022 176.596 174.600 -0.044 0.000 1.030 14 S CA 1.507 59.688 58.200 -0.032 0.000 1.002 14 S CB -0.615 62.578 63.200 -0.012 0.000 0.829 14 S HN 0.113 nan 8.310 nan 0.000 0.467 15 V N 2.217 122.090 119.914 -0.069 0.000 2.453 15 V HA -0.039 4.080 4.120 -0.001 0.000 0.247 15 V C 2.433 178.450 176.094 -0.128 0.000 1.048 15 V CA 1.456 63.721 62.300 -0.059 0.000 1.049 15 V CB -0.848 30.941 31.823 -0.058 0.000 0.672 15 V HN 0.460 nan 8.190 nan 0.000 0.457 16 L N -0.418 120.597 121.223 -0.348 0.000 2.141 16 L HA -0.119 4.220 4.340 -0.001 0.000 0.209 16 L C 2.243 179.009 176.870 -0.174 0.000 1.094 16 L CA 1.253 55.744 54.840 -0.583 0.000 0.763 16 L CB -0.720 40.906 42.059 -0.721 0.000 0.908 16 L HN 0.304 nan 8.230 nan 0.000 0.437 17 D N 0.607 120.944 120.400 -0.106 0.000 2.178 17 D HA -0.101 4.539 4.640 -0.001 0.000 0.202 17 D C 2.232 178.536 176.300 0.007 0.000 0.974 17 D CA 1.384 55.360 54.000 -0.040 0.000 0.841 17 D CB 0.144 40.923 40.800 -0.035 0.000 0.953 17 D HN 0.298 nan 8.370 nan 0.000 0.478 18 A N 0.587 123.426 122.820 0.032 0.000 2.121 18 A HA 0.037 4.356 4.320 -0.001 0.000 0.218 18 A C 2.211 179.849 177.584 0.091 0.000 1.154 18 A CA 1.581 53.650 52.037 0.053 0.000 0.679 18 A CB -0.524 18.509 19.000 0.054 0.000 0.795 18 A HN 0.280 nan 8.150 nan 0.000 0.458 19 G N -1.357 107.556 108.800 0.188 0.000 2.777 19 G HA2 0.333 4.292 3.960 -0.001 0.000 0.211 19 G HA3 0.333 4.292 3.960 -0.001 0.000 0.211 19 G C 0.349 175.309 174.900 0.100 0.000 1.149 19 G CA 0.192 45.401 45.100 0.182 0.000 0.785 19 G HN 0.420 nan 8.290 nan 0.000 0.536 20 L N 1.636 122.887 121.223 0.047 0.000 2.275 20 L HA 0.717 5.057 4.340 -0.001 0.000 0.288 20 L C -0.826 175.937 176.870 -0.178 0.000 1.046 20 L CA -0.101 54.703 54.840 -0.060 0.000 0.805 20 L CB 1.943 43.976 42.059 -0.043 0.000 1.193 20 L HN -0.134 nan 8.230 nan 0.000 0.426 21 T N 3.852 118.154 114.554 -0.421 0.000 2.993 21 T HA 0.491 4.840 4.350 -0.001 0.000 0.312 21 T C -1.151 172.967 174.700 -0.970 0.000 1.115 21 T CA -0.393 61.360 62.100 -0.578 0.000 1.027 21 T CB 1.066 69.632 68.868 -0.503 0.000 1.116 21 T HN 0.651 nan 8.240 nan 0.000 0.464 22 c N 2.042 120.272 118.600 -0.616 0.000 2.529 22 c HA 0.586 5.155 4.570 -0.001 0.000 0.329 22 c C 0.303 174.186 174.090 -0.346 0.000 1.194 22 c CA -0.897 55.119 56.329 -0.522 0.000 1.779 22 c CB 1.416 43.787 42.510 -0.233 0.000 2.322 22 c HN 0.931 nan 8.230 nan 0.000 0.500 23 Q N 0.969 120.684 119.800 -0.142 0.000 2.307 23 Q HA 0.414 4.754 4.340 -0.001 0.000 0.259 23 Q C 1.000 177.038 176.000 0.063 0.000 0.998 23 Q CA 0.961 56.829 55.803 0.108 0.000 0.923 23 Q CB 0.304 29.229 28.738 0.312 0.000 1.196 23 Q HN 1.196 nan 8.270 nan 0.000 0.416 24 G N 2.563 111.394 108.800 0.051 0.000 2.179 24 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.257 24 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.257 24 G C -0.128 174.779 174.900 0.012 0.000 1.010 24 G CA 0.277 45.399 45.100 0.036 0.000 0.736 24 G HN 1.072 nan 8.290 nan 0.000 0.513 25 A N -1.768 121.044 122.820 -0.014 0.000 2.586 25 A HA 0.925 5.244 4.320 -0.001 0.000 0.290 25 A C -0.244 177.310 177.584 -0.049 0.000 1.086 25 A CA 0.614 52.636 52.037 -0.025 0.000 0.665 25 A CB 1.006 19.994 19.000 -0.019 0.000 1.279 25 A HN 1.735 nan 8.150 nan 0.000 0.423 26 S N -0.157 115.519 115.700 -0.040 0.000 2.501 26 S HA 0.656 5.125 4.470 -0.001 0.000 0.301 26 S C -2.075 172.497 174.600 -0.046 0.000 1.096 26 S CA -1.622 56.550 58.200 -0.045 0.000 1.063 26 S CB 1.284 64.466 63.200 -0.029 0.000 1.042 26 S HN 0.333 nan 8.310 nan 0.000 0.494 27 P HA -0.060 nan 4.420 nan 0.000 0.221 27 P C 1.048 178.334 177.300 -0.023 0.000 1.145 27 P CA 0.880 63.956 63.100 -0.041 0.000 0.795 27 P CB 0.004 31.678 31.700 -0.043 0.000 0.775 28 S N -3.109 112.579 115.700 -0.021 0.000 2.603 28 S HA 0.133 4.602 4.470 -0.001 0.000 0.220 28 S C 1.157 175.747 174.600 -0.016 0.000 0.967 28 S CA 0.268 58.459 58.200 -0.014 0.000 0.920 28 S CB -0.432 62.763 63.200 -0.010 0.000 0.773 28 S HN 0.004 nan 8.310 nan 0.000 0.529 29 S N 0.286 115.974 115.700 -0.019 0.000 2.646 29 S HA 0.327 4.796 4.470 -0.001 0.000 0.217 29 S C -0.633 173.956 174.600 -0.018 0.000 0.836 29 S CA -0.451 57.738 58.200 -0.018 0.000 1.094 29 S CB 0.223 63.415 63.200 -0.015 0.000 1.557 29 S HN 0.344 nan 8.310 nan 0.000 0.449 30 V N 1.820 121.723 119.914 -0.019 0.000 2.716 30 V HA 0.831 4.950 4.120 -0.001 0.000 0.304 30 V C -0.074 176.015 176.094 -0.007 0.000 1.053 30 V CA -0.071 62.222 62.300 -0.012 0.000 0.984 30 V CB 1.883 33.697 31.823 -0.014 0.000 1.021 30 V HN 0.497 nan 8.190 nan 0.000 0.467 31 S N 4.347 120.049 115.700 0.004 0.000 2.473 31 S HA 0.518 4.987 4.470 -0.001 0.000 0.307 31 S C -0.222 174.392 174.600 0.024 0.000 1.094 31 S CA -0.592 57.610 58.200 0.003 0.000 1.070 31 S CB 0.846 64.044 63.200 -0.004 0.000 1.019 31 S HN 0.975 nan 8.310 nan 0.000 0.480 32 K N 2.704 123.120 120.400 0.026 0.000 3.451 32 K HA -0.091 4.228 4.320 -0.001 0.000 0.273 32 K C -2.609 174.094 176.600 0.172 0.000 0.944 32 K CA 0.622 56.948 56.287 0.064 0.000 0.734 32 K CB -1.027 31.455 32.500 -0.029 0.000 1.437 32 K HN 0.504 nan 8.250 nan 0.000 0.454 33 P HA 0.259 nan 4.420 nan 0.000 0.277 33 P C -0.433 176.951 177.300 0.140 0.000 1.240 33 P CA -0.416 62.762 63.100 0.129 0.000 0.798 33 P CB 1.063 32.800 31.700 0.062 0.000 0.979 34 I N 2.264 122.876 120.570 0.070 0.000 2.512 34 I HA 0.262 4.431 4.170 -0.001 0.000 0.287 34 I C -1.326 174.768 176.117 -0.037 0.000 1.069 34 I CA -1.415 59.854 61.300 -0.052 0.000 1.056 34 I CB 1.669 39.517 38.000 -0.252 0.000 1.229 34 I HN 0.104 nan 8.210 nan 0.000 0.429 35 L N 8.494 129.691 121.223 -0.043 0.000 2.290 35 L HA 0.504 4.843 4.340 -0.001 0.000 0.284 35 L C -1.282 175.553 176.870 -0.058 0.000 1.078 35 L CA 0.087 54.916 54.840 -0.018 0.000 0.815 35 L CB 0.969 43.031 42.059 0.003 0.000 1.162 35 L HN 0.507 nan 8.230 nan 0.000 0.435 36 L N 6.199 127.401 121.223 -0.035 0.000 2.296 36 L HA 0.553 4.892 4.340 -0.001 0.000 0.286 36 L C -0.742 176.176 176.870 0.080 0.000 1.023 36 L CA -0.852 53.870 54.840 -0.196 0.000 0.812 36 L CB 1.681 43.428 42.059 -0.521 0.000 1.223 36 L HN 0.284 nan 8.230 nan 0.000 0.421 37 V N 4.616 124.625 119.914 0.159 0.000 2.357 37 V HA 0.374 4.493 4.120 -0.001 0.000 0.284 37 V C -1.894 174.520 176.094 0.533 0.000 1.018 37 V CA -1.657 60.824 62.300 0.301 0.000 0.841 37 V CB 1.398 33.333 31.823 0.186 0.000 0.991 37 V HN 0.595 nan 8.190 nan 0.000 0.437 38 P HA 0.214 nan 4.420 nan 0.000 0.273 38 P C 0.209 177.598 177.300 0.149 0.000 1.250 38 P CA 0.155 63.450 63.100 0.327 0.000 0.793 38 P CB 1.086 32.905 31.700 0.199 0.000 1.011 39 G N -0.087 108.734 108.800 0.034 0.000 2.535 39 G HA2 0.360 4.319 3.960 -0.001 0.000 0.303 39 G HA3 0.360 4.319 3.960 -0.001 0.000 0.303 39 G C -0.524 174.265 174.900 -0.184 0.000 1.237 39 G CA -0.401 44.519 45.100 -0.300 0.000 0.986 39 G HN 0.431 nan 8.290 nan 0.000 0.494 40 T N -0.174 114.243 114.554 -0.230 0.000 2.928 40 T HA 0.391 4.740 4.350 -0.001 0.000 0.305 40 T C 1.427 176.089 174.700 -0.064 0.000 1.035 40 T CA 1.319 63.350 62.100 -0.114 0.000 1.145 40 T CB 0.834 69.627 68.868 -0.125 0.000 0.963 40 T HN 1.833 nan 8.240 nan 0.000 0.545 41 G N 2.206 111.017 108.800 0.018 0.000 2.143 41 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.248 41 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.248 41 G C 0.267 175.208 174.900 0.069 0.000 0.991 41 G CA 0.375 45.497 45.100 0.036 0.000 0.689 41 G HN 1.297 nan 8.290 nan 0.000 0.522 42 T N -3.034 111.615 114.554 0.158 0.000 2.812 42 T HA 0.836 5.185 4.350 -0.001 0.000 0.294 42 T C -0.035 174.803 174.700 0.230 0.000 1.159 42 T CA 0.465 62.679 62.100 0.190 0.000 1.008 42 T CB 2.255 71.187 68.868 0.107 0.000 1.289 42 T HN 1.337 nan 8.240 nan 0.000 0.514 43 T N -2.191 112.476 114.554 0.188 0.000 2.949 43 T HA 0.648 4.997 4.350 -0.001 0.000 0.287 43 T C 1.672 176.406 174.700 0.056 0.000 1.034 43 T CA -0.198 61.969 62.100 0.111 0.000 1.018 43 T CB 1.023 69.954 68.868 0.105 0.000 1.135 43 T HN 0.978 nan 8.240 nan 0.000 0.532 44 G N 0.965 109.823 108.800 0.097 0.000 2.514 44 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.217 44 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.217 44 G C -0.956 173.829 174.900 -0.191 0.000 1.198 44 G CA 0.939 46.098 45.100 0.097 0.000 0.780 44 G HN 0.649 nan 8.290 nan 0.000 0.565 45 P HA -0.050 nan 4.420 nan 0.000 0.217 45 P C 1.932 179.101 177.300 -0.218 0.000 1.150 45 P CA 1.228 64.072 63.100 -0.426 0.000 0.832 45 P CB -0.046 31.444 31.700 -0.349 0.000 0.787 46 Q N -0.915 118.807 119.800 -0.131 0.000 2.135 46 Q HA -0.117 4.222 4.340 -0.001 0.000 0.204 46 Q C 2.131 178.024 176.000 -0.179 0.000 0.981 46 Q CA 1.664 57.407 55.803 -0.101 0.000 0.856 46 Q CB -0.446 28.284 28.738 -0.013 0.000 0.902 46 Q HN 0.231 nan 8.270 nan 0.000 0.425 47 S N -0.584 114.942 115.700 -0.290 0.000 2.406 47 S HA 0.006 4.475 4.470 -0.001 0.000 0.224 47 S C 1.060 175.171 174.600 -0.816 0.000 1.030 47 S CA 0.802 58.641 58.200 -0.601 0.000 0.958 47 S CB 0.121 62.783 63.200 -0.897 0.000 0.811 47 S HN 0.294 nan 8.310 nan 0.000 0.489 48 F N 1.195 121.087 119.950 -0.098 0.000 2.752 48 F HA 0.214 4.740 4.527 -0.002 0.000 0.310 48 F C 1.512 177.226 175.800 -0.143 0.000 1.097 48 F CA -0.379 57.567 58.000 -0.091 0.000 1.238 48 F CB -0.241 38.755 39.000 -0.007 0.000 1.061 48 F HN 0.089 nan 8.300 nan 0.000 0.591 49 D N -0.031 120.326 120.400 -0.072 0.000 2.378 49 D HA -0.118 4.521 4.640 -0.001 0.000 0.222 49 D C 1.476 177.722 176.300 -0.091 0.000 0.980 49 D CA 1.239 55.177 54.000 -0.104 0.000 0.907 49 D CB -0.680 40.023 40.800 -0.162 0.000 0.899 49 D HN 0.297 nan 8.370 nan 0.000 0.527 50 S N -1.587 114.048 115.700 -0.108 0.000 2.539 50 S HA 0.159 4.628 4.470 -0.001 0.000 0.221 50 S C 0.710 175.210 174.600 -0.167 0.000 0.987 50 S CA 0.043 58.163 58.200 -0.133 0.000 0.929 50 S CB -0.406 62.706 63.200 -0.147 0.000 0.832 50 S HN 0.493 nan 8.310 nan 0.000 0.492 51 N N -0.631 117.984 118.700 -0.143 0.000 3.234 51 N HA 0.249 4.988 4.740 -0.001 0.000 0.237 51 N C 0.654 176.013 175.510 -0.252 0.000 1.372 51 N CA -0.515 52.383 53.050 -0.253 0.000 1.273 51 N CB -0.630 37.694 38.487 -0.272 0.000 0.973 51 N HN 0.201 nan 8.380 nan 0.000 0.898 52 W N 0.877 122.207 121.300 0.049 0.000 2.699 52 W HA 0.396 5.056 4.660 -0.001 0.000 0.249 52 W C 1.512 178.044 176.519 0.022 0.000 1.280 52 W CA 0.037 57.404 57.345 0.036 0.000 1.345 52 W CB -0.114 29.341 29.460 -0.008 0.000 1.128 52 W HN 0.190 nan 8.180 nan 0.000 0.642 53 I N 1.410 122.098 120.570 0.197 0.000 2.193 53 I HA -0.198 3.971 4.170 -0.001 0.000 0.240 53 I C -0.182 176.003 176.117 0.113 0.000 1.084 53 I CA 1.054 62.442 61.300 0.147 0.000 1.365 53 I CB -1.568 36.462 38.000 0.050 0.000 1.064 53 I HN -0.202 nan 8.210 nan 0.000 0.410 54 P HA -0.098 nan 4.420 nan 0.000 0.220 54 P C 1.966 179.263 177.300 -0.006 0.000 1.152 54 P CA 1.390 64.493 63.100 0.003 0.000 0.812 54 P CB 0.071 31.738 31.700 -0.055 0.000 0.792 55 L N 0.586 121.769 121.223 -0.067 0.000 2.027 55 L HA -0.127 4.212 4.340 -0.001 0.000 0.206 55 L C 2.876 179.855 176.870 0.182 0.000 1.074 55 L CA 2.195 56.985 54.840 -0.083 0.000 0.745 55 L CB -1.197 40.588 42.059 -0.457 0.000 0.898 55 L HN 0.100 nan 8.230 nan 0.000 0.433 56 S N -1.858 114.026 115.700 0.307 0.000 2.447 56 S HA -0.138 4.331 4.470 -0.001 0.000 0.233 56 S C 1.868 176.680 174.600 0.354 0.000 1.006 56 S CA 1.373 59.813 58.200 0.399 0.000 0.957 56 S CB -0.551 62.840 63.200 0.318 0.000 0.773 56 S HN 0.329 nan 8.310 nan 0.000 0.507 57 T N 2.493 117.186 114.554 0.232 0.000 2.821 57 T HA -0.046 4.303 4.350 -0.001 0.000 0.267 57 T C 1.889 176.675 174.700 0.143 0.000 1.046 57 T CA 1.463 63.671 62.100 0.180 0.000 1.139 57 T CB -0.341 68.604 68.868 0.128 0.000 0.871 57 T HN 0.568 nan 8.240 nan 0.000 0.454 58 Q N 0.294 120.172 119.800 0.130 0.000 2.291 58 Q HA 0.115 4.454 4.340 -0.001 0.000 0.205 58 Q C 1.786 177.864 176.000 0.130 0.000 0.970 58 Q CA 0.756 56.620 55.803 0.100 0.000 0.876 58 Q CB -0.206 28.572 28.738 0.067 0.000 0.935 58 Q HN 0.464 nan 8.270 nan 0.000 0.455 59 L N -0.746 120.605 121.223 0.213 0.000 2.591 59 L HA 0.160 4.499 4.340 -0.001 0.000 0.228 59 L C 0.914 177.794 176.870 0.016 0.000 1.133 59 L CA 0.303 55.269 54.840 0.210 0.000 0.880 59 L CB 0.132 42.447 42.059 0.427 0.000 1.033 59 L HN 0.371 nan 8.230 nan 0.000 0.450 60 G N -1.152 107.655 108.800 0.013 0.000 2.132 60 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.234 60 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.234 60 G C -0.158 174.621 174.900 -0.201 0.000 0.989 60 G CA -0.393 44.635 45.100 -0.120 0.000 0.676 60 G HN 0.255 nan 8.290 nan 0.000 0.522 61 Y N -0.090 120.255 120.300 0.075 0.000 2.488 61 Y HA 0.670 5.219 4.550 -0.002 0.000 0.325 61 Y C 0.995 176.938 175.900 0.072 0.000 1.204 61 Y CA -0.412 57.729 58.100 0.069 0.000 1.229 61 Y CB 1.594 40.104 38.460 0.083 0.000 1.274 61 Y HN 0.015 nan 8.280 nan 0.000 0.493 62 T N 4.978 119.676 114.554 0.241 0.000 2.801 62 T HA 0.265 4.614 4.350 -0.001 0.000 0.306 62 T C -2.749 172.051 174.700 0.165 0.000 1.020 62 T CA -1.619 60.575 62.100 0.156 0.000 0.948 62 T CB 0.478 69.400 68.868 0.089 0.000 0.962 62 T HN 0.237 nan 8.240 nan 0.000 0.465 63 P HA 0.317 nan 4.420 nan 0.000 0.271 63 P C -0.665 176.753 177.300 0.196 0.000 1.220 63 P CA -0.299 62.944 63.100 0.238 0.000 0.768 63 P CB 0.457 32.357 31.700 0.333 0.000 0.848 64 c N 3.892 122.559 118.600 0.111 0.000 2.848 64 c HA 0.852 5.421 4.570 -0.001 0.000 0.317 64 c C -0.583 173.561 174.090 0.091 0.000 1.260 64 c CA -0.049 56.197 56.329 -0.139 0.000 1.656 64 c CB 1.129 43.556 42.510 -0.138 0.000 2.174 64 c HN 0.885 nan 8.230 nan 0.000 0.479 65 W N 0.788 122.114 121.300 0.044 0.000 3.146 65 W HA 0.763 5.422 4.660 -0.001 0.000 0.319 65 W C -1.487 175.075 176.519 0.072 0.000 1.258 65 W CA -1.235 56.149 57.345 0.066 0.000 1.189 65 W CB -0.089 29.447 29.460 0.127 0.000 1.412 65 W HN 0.773 nan 8.180 nan 0.000 0.567 66 I N 0.238 120.995 120.570 0.312 0.000 2.562 66 I HA 0.813 4.983 4.170 -0.001 0.000 0.301 66 I C -0.372 175.860 176.117 0.193 0.000 1.003 66 I CA -1.058 60.353 61.300 0.185 0.000 1.127 66 I CB 2.318 40.396 38.000 0.131 0.000 1.304 66 I HN 0.416 nan 8.210 nan 0.000 0.446 67 S N 4.717 120.444 115.700 0.045 0.000 2.060 67 S HA 0.400 4.869 4.470 -0.001 0.000 0.156 67 S C -2.460 171.936 174.600 -0.340 0.000 1.690 67 S CA -0.892 57.280 58.200 -0.047 0.000 1.238 67 S CB 0.231 63.462 63.200 0.053 0.000 1.150 67 S HN 0.542 nan 8.310 nan 0.000 0.437 68 P HA 0.178 nan 4.420 nan 0.000 0.266 68 P C -2.500 174.531 177.300 -0.448 0.000 1.215 68 P CA -0.920 61.656 63.100 -0.872 0.000 0.763 68 P CB -0.042 31.290 31.700 -0.612 0.000 0.806 69 P HA 0.275 nan 4.420 nan 0.000 0.284 69 P C -2.666 174.543 177.300 -0.152 0.000 1.253 69 P CA -2.038 60.895 63.100 -0.279 0.000 0.800 69 P CB 0.462 32.036 31.700 -0.209 0.000 0.961 70 P HA 0.330 nan 4.420 nan 0.000 0.303 70 P C -0.570 176.676 177.300 -0.091 0.000 1.370 70 P CA -0.773 62.191 63.100 -0.226 0.000 0.854 70 P CB 0.207 31.880 31.700 -0.046 0.000 0.946 71 F N 2.534 122.458 119.950 -0.043 0.000 3.004 71 F HA -0.239 4.287 4.527 -0.001 0.000 0.264 71 F C 1.187 176.958 175.800 -0.048 0.000 0.979 71 F CA 0.257 58.232 58.000 -0.040 0.000 0.896 71 F CB -1.927 37.055 39.000 -0.029 0.000 0.813 71 F HN 0.320 nan 8.300 nan 0.000 0.804 72 M N -1.981 117.631 119.600 0.020 0.000 2.612 72 M HA -0.298 4.181 4.480 -0.001 0.000 0.194 72 M C 0.914 177.224 176.300 0.016 0.000 0.530 72 M CA 0.900 56.199 55.300 -0.001 0.000 0.548 72 M CB -1.982 30.620 32.600 0.003 0.000 2.013 72 M HN 0.596 nan 8.290 nan 0.000 0.711 73 L N -1.748 119.500 121.223 0.042 0.000 2.477 73 L HA 0.076 4.415 4.340 -0.001 0.000 0.220 73 L C 1.309 178.199 176.870 0.033 0.000 1.106 73 L CA 0.166 55.034 54.840 0.047 0.000 0.851 73 L CB -0.082 42.029 42.059 0.086 0.000 0.994 73 L HN 0.344 nan 8.230 nan 0.000 0.462 74 N N 0.097 118.808 118.700 0.018 0.000 2.413 74 N HA -0.006 4.733 4.740 -0.001 0.000 0.266 74 N C -0.327 175.187 175.510 0.006 0.000 1.238 74 N CA -0.406 52.655 53.050 0.018 0.000 0.972 74 N CB 0.455 38.953 38.487 0.018 0.000 1.210 74 N HN -0.111 nan 8.380 nan 0.000 0.547 75 D N -0.416 119.986 120.400 0.003 0.000 2.772 75 D HA -0.093 4.546 4.640 -0.001 0.000 0.227 75 D C 0.476 176.753 176.300 -0.037 0.000 1.114 75 D CA 0.695 54.681 54.000 -0.023 0.000 0.832 75 D CB 0.352 41.143 40.800 -0.014 0.000 1.154 75 D HN 0.444 nan 8.370 nan 0.000 0.514 76 T N 3.807 118.301 114.554 -0.101 0.000 2.881 76 T HA -0.198 4.151 4.350 -0.001 0.000 0.270 76 T C 1.726 176.333 174.700 -0.156 0.000 1.068 76 T CA 1.268 63.283 62.100 -0.142 0.000 1.131 76 T CB -0.004 68.719 68.868 -0.241 0.000 0.871 76 T HN 0.536 nan 8.240 nan 0.000 0.479 77 Q N 0.107 119.803 119.800 -0.174 0.000 2.224 77 Q HA -0.005 4.334 4.340 -0.001 0.000 0.203 77 Q C 2.402 178.510 176.000 0.181 0.000 0.970 77 Q CA 0.831 56.638 55.803 0.007 0.000 0.865 77 Q CB -0.148 28.624 28.738 0.057 0.000 0.922 77 Q HN 0.362 nan 8.270 nan 0.000 0.445 78 V N 1.337 121.318 119.914 0.112 0.000 2.446 78 V HA -0.172 3.947 4.120 -0.001 0.000 0.244 78 V C 1.575 177.785 176.094 0.194 0.000 1.039 78 V CA 1.314 63.701 62.300 0.145 0.000 1.045 78 V CB -0.396 31.500 31.823 0.121 0.000 0.681 78 V HN 0.370 nan 8.190 nan 0.000 0.459 79 N N 0.330 119.125 118.700 0.157 0.000 2.205 79 N HA -0.150 4.589 4.740 -0.001 0.000 0.186 79 N C 1.813 177.433 175.510 0.184 0.000 1.015 79 N CA 1.870 55.022 53.050 0.169 0.000 0.862 79 N CB -0.559 37.960 38.487 0.053 0.000 0.986 79 N HN 0.427 nan 8.380 nan 0.000 0.429 80 T N 1.173 115.822 114.554 0.158 0.000 2.867 80 T HA -0.046 4.303 4.350 -0.001 0.000 0.268 80 T C 1.610 176.331 174.700 0.035 0.000 1.057 80 T CA 0.829 63.028 62.100 0.164 0.000 1.136 80 T CB -0.034 69.043 68.868 0.347 0.000 0.874 80 T HN 0.387 nan 8.240 nan 0.000 0.466 81 E N 0.103 120.305 120.200 0.003 0.000 2.110 81 E HA -0.126 4.223 4.350 -0.001 0.000 0.193 81 E C 1.807 178.154 176.600 -0.422 0.000 0.988 81 E CA 1.040 57.266 56.400 -0.290 0.000 0.804 81 E CB -0.235 29.268 29.700 -0.328 0.000 0.745 81 E HN 0.590 nan 8.360 nan 0.000 0.458 82 Y N 0.406 120.576 120.300 -0.216 0.000 2.224 82 Y HA -0.207 4.343 4.550 -0.001 0.000 0.289 82 Y C 2.421 178.242 175.900 -0.132 0.000 1.146 82 Y CA 1.331 59.328 58.100 -0.172 0.000 1.182 82 Y CB -0.136 38.274 38.460 -0.084 0.000 0.983 82 Y HN 0.069 nan 8.280 nan 0.000 0.524 83 M N -0.870 118.768 119.600 0.064 0.000 2.123 83 M HA -0.171 4.308 4.480 -0.001 0.000 0.263 83 M C 1.962 178.242 176.300 -0.033 0.000 1.069 83 M CA 1.408 56.728 55.300 0.033 0.000 1.133 83 M CB -0.281 32.355 32.600 0.061 0.000 1.356 83 M HN 0.139 nan 8.290 nan 0.000 0.415 84 V N 1.362 121.207 119.914 -0.114 0.000 2.332 84 V HA -0.300 3.819 4.120 -0.001 0.000 0.248 84 V C 2.033 178.114 176.094 -0.020 0.000 1.055 84 V CA 2.302 64.527 62.300 -0.125 0.000 1.038 84 V CB -1.295 30.318 31.823 -0.350 0.000 0.651 84 V HN 0.610 nan 8.190 nan 0.000 0.450 85 N N 0.378 119.018 118.700 -0.100 0.000 2.188 85 N HA -0.120 4.619 4.740 -0.001 0.000 0.184 85 N C 1.726 177.220 175.510 -0.026 0.000 1.018 85 N CA 1.478 54.486 53.050 -0.069 0.000 0.858 85 N CB -0.280 38.023 38.487 -0.306 0.000 0.989 85 N HN 0.408 nan 8.380 nan 0.000 0.426 86 A N 0.567 123.369 122.820 -0.030 0.000 1.877 86 A HA -0.069 4.250 4.320 -0.001 0.000 0.216 86 A C 2.255 179.851 177.584 0.019 0.000 1.186 86 A CA 1.222 53.257 52.037 -0.002 0.000 0.620 86 A CB -0.790 18.218 19.000 0.014 0.000 0.822 86 A HN 0.401 nan 8.150 nan 0.000 0.443 87 I N -0.550 120.034 120.570 0.023 0.000 2.226 87 I HA -0.215 3.955 4.170 -0.001 0.000 0.245 87 I C 2.569 178.730 176.117 0.074 0.000 1.100 87 I CA 1.692 63.017 61.300 0.042 0.000 1.374 87 I CB -0.692 37.317 38.000 0.016 0.000 1.057 87 I HN 0.245 nan 8.210 nan 0.000 0.413 88 T N 0.833 115.422 114.554 0.058 0.000 2.720 88 T HA -0.182 4.167 4.350 -0.001 0.000 0.268 88 T C 2.051 176.821 174.700 0.117 0.000 1.037 88 T CA 1.579 63.728 62.100 0.083 0.000 1.144 88 T CB -0.301 68.616 68.868 0.081 0.000 0.864 88 T HN 0.487 nan 8.240 nan 0.000 0.444 89 A N 1.234 124.101 122.820 0.078 0.000 1.855 89 A HA 0.050 4.369 4.320 -0.001 0.000 0.215 89 A C 2.316 179.937 177.584 0.061 0.000 1.191 89 A CA 1.154 53.225 52.037 0.058 0.000 0.613 89 A CB -0.871 18.143 19.000 0.023 0.000 0.829 89 A HN 0.465 nan 8.150 nan 0.000 0.442 90 L N -2.042 119.217 121.223 0.061 0.000 2.083 90 L HA -0.204 4.136 4.340 -0.001 0.000 0.209 90 L C 2.606 179.525 176.870 0.082 0.000 1.083 90 L CA 1.798 56.670 54.840 0.053 0.000 0.752 90 L CB -0.701 41.386 42.059 0.046 0.000 0.899 90 L HN 0.596 nan 8.230 nan 0.000 0.433 91 Y N 0.849 121.152 120.300 0.006 0.000 2.114 91 Y HA -0.297 4.252 4.550 -0.002 0.000 0.284 91 Y C 2.527 178.431 175.900 0.008 0.000 1.143 91 Y CA 1.516 59.622 58.100 0.009 0.000 1.135 91 Y CB -0.290 38.176 38.460 0.011 0.000 0.980 91 Y HN 0.088 nan 8.280 nan 0.000 0.499 92 A N -0.027 122.844 122.820 0.085 0.000 1.873 92 A HA -0.067 4.252 4.320 -0.001 0.000 0.215 92 A C 2.460 180.011 177.584 -0.055 0.000 1.186 92 A CA 1.617 53.652 52.037 -0.004 0.000 0.616 92 A CB -1.702 17.343 19.000 0.074 0.000 0.823 92 A HN 0.592 nan 8.150 nan 0.000 0.442 93 G N -0.153 108.634 108.800 -0.022 0.000 2.448 93 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.219 93 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.219 93 G C 1.609 176.478 174.900 -0.050 0.000 1.127 93 G CA 1.489 46.572 45.100 -0.029 0.000 0.766 93 G HN 0.898 nan 8.290 nan 0.000 0.552 94 S N -0.662 114.992 115.700 -0.076 0.000 2.634 94 S HA 0.415 4.884 4.470 -0.001 0.000 0.221 94 S C 1.431 175.956 174.600 -0.125 0.000 0.952 94 S CA 0.688 58.839 58.200 -0.081 0.000 0.930 94 S CB -0.001 63.162 63.200 -0.062 0.000 0.780 94 S HN 1.488 nan 8.310 nan 0.000 0.498 95 G N 2.135 110.845 108.800 -0.149 0.000 2.203 95 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.231 95 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.231 95 G C 0.024 174.770 174.900 -0.256 0.000 1.058 95 G CA -0.375 44.633 45.100 -0.153 0.000 0.781 95 G HN 0.498 nan 8.290 nan 0.000 0.496 96 N N -0.726 117.696 118.700 -0.464 0.000 2.738 96 N HA -0.157 4.582 4.740 -0.001 0.000 0.249 96 N C -0.392 174.598 175.510 -0.868 0.000 1.047 96 N CA 1.580 54.079 53.050 -0.920 0.000 0.707 96 N CB -1.136 37.119 38.487 -0.387 0.000 0.937 96 N HN 0.788 nan 8.380 nan 0.000 0.545 97 N N 0.896 119.168 118.700 -0.713 0.000 2.321 97 N HA 0.222 4.961 4.740 -0.001 0.000 0.299 97 N C 0.102 175.607 175.510 -0.009 0.000 1.048 97 N CA -0.537 52.365 53.050 -0.246 0.000 0.836 97 N CB 1.680 40.096 38.487 -0.118 0.000 1.269 97 N HN 0.063 nan 8.380 nan 0.000 0.486 98 K N 1.281 121.806 120.400 0.209 0.000 2.380 98 K HA 0.226 4.545 4.320 -0.001 0.000 0.267 98 K C -0.008 176.688 176.600 0.160 0.000 0.990 98 K CA 0.096 56.543 56.287 0.267 0.000 0.946 98 K CB 0.435 33.039 32.500 0.174 0.000 0.937 98 K HN 0.468 nan 8.250 nan 0.000 0.491 99 L N -0.781 120.528 121.223 0.144 0.000 2.393 99 L HA 0.681 5.020 4.340 -0.001 0.000 0.260 99 L C -2.824 174.075 176.870 0.048 0.000 1.002 99 L CA -2.526 52.375 54.840 0.101 0.000 0.818 99 L CB 2.098 44.216 42.059 0.098 0.000 1.369 99 L HN 0.393 nan 8.230 nan 0.000 0.412 100 P HA 0.311 nan 4.420 nan 0.000 0.281 100 P C -1.136 176.108 177.300 -0.092 0.000 1.249 100 P CA -0.420 62.642 63.100 -0.064 0.000 0.810 100 P CB 2.073 33.690 31.700 -0.139 0.000 1.008 101 V N 3.286 123.141 119.914 -0.099 0.000 2.487 101 V HA 0.395 4.514 4.120 -0.001 0.000 0.298 101 V C 0.127 176.135 176.094 -0.144 0.000 1.028 101 V CA -0.679 61.566 62.300 -0.091 0.000 0.860 101 V CB 1.641 33.442 31.823 -0.036 0.000 0.991 101 V HN 0.450 nan 8.190 nan 0.000 0.427 102 L N 5.541 126.655 121.223 -0.181 0.000 2.349 102 L HA 0.850 5.189 4.340 -0.001 0.000 0.278 102 L C 0.114 176.917 176.870 -0.111 0.000 0.996 102 L CA 0.147 54.848 54.840 -0.232 0.000 0.825 102 L CB 1.952 43.772 42.059 -0.398 0.000 1.243 102 L HN 0.912 nan 8.230 nan 0.000 0.412 103 T N 0.423 114.999 114.554 0.038 0.000 2.916 103 T HA 0.571 4.920 4.350 -0.001 0.000 0.292 103 T C -1.491 173.497 174.700 0.479 0.000 1.064 103 T CA -0.615 61.631 62.100 0.243 0.000 1.011 103 T CB 1.756 70.714 68.868 0.149 0.000 1.152 103 T HN 0.583 nan 8.240 nan 0.000 0.510 104 W N 1.605 123.081 121.300 0.293 0.000 2.900 104 W HA 0.616 5.275 4.660 -0.001 0.000 0.336 104 W C 0.645 177.209 176.519 0.076 0.000 1.064 104 W CA 0.098 57.560 57.345 0.196 0.000 1.237 104 W CB 1.234 30.777 29.460 0.137 0.000 1.391 104 W HN 1.216 nan 8.180 nan 0.000 0.468 105 S N 2.073 117.567 115.700 -0.344 0.000 4.138 105 S HA -0.457 4.012 4.470 -0.001 0.000 0.574 105 S C 1.646 176.111 174.600 -0.225 0.000 1.895 105 S CA 2.244 60.204 58.200 -0.400 0.000 4.239 105 S CB -1.483 61.271 63.200 -0.744 0.000 0.264 105 S HN 0.842 nan 8.310 nan 0.000 0.489 106 Q N 1.051 120.717 119.800 -0.222 0.000 2.197 106 Q HA -0.124 4.215 4.340 -0.001 0.000 0.207 106 Q C 2.137 178.111 176.000 -0.044 0.000 0.984 106 Q CA 2.043 57.773 55.803 -0.122 0.000 0.869 106 Q CB -1.095 27.577 28.738 -0.110 0.000 0.906 106 Q HN 0.801 nan 8.270 nan 0.000 0.426 107 G N -0.244 108.552 108.800 -0.007 0.000 2.450 107 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.220 107 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.220 107 G C 1.230 176.183 174.900 0.088 0.000 1.130 107 G CA 0.772 45.924 45.100 0.086 0.000 0.760 107 G HN 0.531 nan 8.290 nan 0.000 0.557 108 G N 0.706 109.526 108.800 0.033 0.000 2.402 108 G HA2 -0.087 3.872 3.960 -0.001 0.000 0.216 108 G HA3 -0.087 3.872 3.960 -0.001 0.000 0.216 108 G C 1.710 176.695 174.900 0.141 0.000 1.162 108 G CA 0.954 46.075 45.100 0.035 0.000 0.777 108 G HN 0.420 nan 8.290 nan 0.000 0.539 109 L N 0.837 122.090 121.223 0.049 0.000 2.046 109 L HA 0.037 4.376 4.340 -0.001 0.000 0.208 109 L C 2.830 179.857 176.870 0.261 0.000 1.077 109 L CA 1.366 56.318 54.840 0.187 0.000 0.747 109 L CB -0.496 41.603 42.059 0.066 0.000 0.896 109 L HN 0.065 nan 8.230 nan 0.000 0.432 110 V N 0.127 120.146 119.914 0.174 0.000 2.295 110 V HA -0.292 3.828 4.120 -0.001 0.000 0.246 110 V C 2.811 179.064 176.094 0.265 0.000 1.049 110 V CA 1.668 64.090 62.300 0.203 0.000 1.024 110 V CB -1.219 30.680 31.823 0.127 0.000 0.648 110 V HN 0.624 nan 8.190 nan 0.000 0.447 111 A N -0.727 122.220 122.820 0.212 0.000 1.902 111 A HA -0.304 4.016 4.320 -0.001 0.000 0.217 111 A C 2.152 179.861 177.584 0.208 0.000 1.181 111 A CA 2.218 54.364 52.037 0.182 0.000 0.623 111 A CB -0.526 18.556 19.000 0.137 0.000 0.818 111 A HN 0.542 nan 8.150 nan 0.000 0.443 112 Q N -1.406 118.554 119.800 0.267 0.000 2.172 112 Q HA -0.122 4.217 4.340 -0.001 0.000 0.200 112 Q C 1.831 177.986 176.000 0.260 0.000 0.964 112 Q CA 1.293 57.218 55.803 0.204 0.000 0.855 112 Q CB -0.313 28.536 28.738 0.185 0.000 0.918 112 Q HN 0.810 nan 8.270 nan 0.000 0.444 113 W N -0.126 121.301 121.300 0.212 0.000 2.388 113 W HA -0.045 4.614 4.660 -0.001 0.000 0.294 113 W C 1.532 178.295 176.519 0.406 0.000 1.212 113 W CA 1.597 59.148 57.345 0.344 0.000 1.271 113 W CB -0.370 29.298 29.460 0.346 0.000 1.126 113 W HN 0.309 nan 8.180 nan 0.000 0.535 114 G N 1.129 110.212 108.800 0.471 0.000 2.404 114 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.215 114 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.215 114 G C 1.625 176.670 174.900 0.242 0.000 1.174 114 G CA 1.011 46.331 45.100 0.367 0.000 0.780 114 G HN 0.227 nan 8.290 nan 0.000 0.537 115 L N 0.546 121.838 121.223 0.115 0.000 2.131 115 L HA -0.064 4.275 4.340 -0.001 0.000 0.210 115 L C 3.095 179.908 176.870 -0.095 0.000 1.092 115 L CA 1.376 56.223 54.840 0.013 0.000 0.759 115 L CB -0.498 41.553 42.059 -0.013 0.000 0.903 115 L HN 0.179 nan 8.230 nan 0.000 0.435 116 T N -0.841 113.597 114.554 -0.193 0.000 2.809 116 T HA -0.051 4.298 4.350 -0.001 0.000 0.260 116 T C 1.351 175.607 174.700 -0.740 0.000 1.039 116 T CA 1.265 63.044 62.100 -0.534 0.000 1.141 116 T CB -0.140 68.266 68.868 -0.770 0.000 0.869 116 T HN 0.134 nan 8.240 nan 0.000 0.437 117 F N -0.479 119.283 119.950 -0.313 0.000 2.746 117 F HA 0.398 4.924 4.527 -0.002 0.000 0.297 117 F C 0.133 175.606 175.800 -0.546 0.000 1.113 117 F CA -0.496 57.213 58.000 -0.484 0.000 1.367 117 F CB 0.205 38.768 39.000 -0.729 0.000 1.111 117 F HN 0.025 nan 8.300 nan 0.000 0.590 118 F N 0.855 120.737 119.950 -0.114 0.000 2.363 118 F HA 0.380 4.906 4.527 -0.001 0.000 0.366 118 F C -1.821 173.916 175.800 -0.107 0.000 1.083 118 F CA -2.762 55.174 58.000 -0.107 0.000 1.176 118 F CB 0.586 39.559 39.000 -0.045 0.000 1.432 118 F HN -0.208 nan 8.300 nan 0.000 0.482 119 P HA -0.262 nan 4.420 nan 0.000 0.216 119 P C 1.847 179.129 177.300 -0.031 0.000 1.154 119 P CA 2.010 65.082 63.100 -0.046 0.000 0.865 119 P CB 0.132 31.787 31.700 -0.074 0.000 0.789 120 S N -0.338 115.355 115.700 -0.012 0.000 2.465 120 S HA -0.173 4.296 4.470 -0.001 0.000 0.241 120 S C 1.746 176.301 174.600 -0.074 0.000 1.000 120 S CA 1.360 59.536 58.200 -0.040 0.000 0.964 120 S CB -1.562 61.623 63.200 -0.025 0.000 0.763 120 S HN 0.369 nan 8.310 nan 0.000 0.512 121 I N -2.217 118.329 120.570 -0.039 0.000 3.860 121 I HA 0.294 4.463 4.170 -0.001 0.000 0.319 121 I C 2.196 178.264 176.117 -0.082 0.000 1.279 121 I CA -0.350 60.906 61.300 -0.074 0.000 1.220 121 I CB -0.133 37.851 38.000 -0.028 0.000 1.027 121 I HN 0.022 nan 8.210 nan 0.000 0.428 122 R N 1.926 122.386 120.500 -0.067 0.000 2.120 122 R HA -0.070 4.269 4.340 -0.001 0.000 0.234 122 R C 2.245 178.499 176.300 -0.077 0.000 1.123 122 R CA 1.741 57.802 56.100 -0.065 0.000 0.975 122 R CB -0.381 29.881 30.300 -0.063 0.000 0.866 122 R HN 0.592 nan 8.270 nan 0.000 0.446 123 S N 0.286 115.921 115.700 -0.108 0.000 2.558 123 S HA 0.079 4.548 4.470 -0.001 0.000 0.217 123 S C 1.343 175.842 174.600 -0.168 0.000 0.975 123 S CA 0.245 58.379 58.200 -0.110 0.000 0.912 123 S CB 0.248 63.385 63.200 -0.106 0.000 0.776 123 S HN 0.246 nan 8.310 nan 0.000 0.526 124 K N 0.770 121.020 120.400 -0.250 0.000 2.354 124 K HA 0.271 4.590 4.320 -0.001 0.000 0.194 124 K C -0.470 176.104 176.600 -0.043 0.000 1.038 124 K CA 0.085 56.174 56.287 -0.330 0.000 1.052 124 K CB 0.623 32.768 32.500 -0.593 0.000 0.861 124 K HN 0.182 nan 8.250 nan 0.000 0.535 125 V N 2.524 122.415 119.914 -0.038 0.000 2.348 125 V HA -0.008 4.111 4.120 -0.001 0.000 0.270 125 V C 0.693 176.792 176.094 0.008 0.000 1.037 125 V CA -0.132 62.167 62.300 -0.002 0.000 0.872 125 V CB 1.193 33.007 31.823 -0.015 0.000 1.002 125 V HN 0.126 nan 8.190 nan 0.000 0.464 126 D N 4.312 124.730 120.400 0.029 0.000 2.097 126 D HA -0.072 4.567 4.640 -0.001 0.000 0.195 126 D C 0.975 177.276 176.300 0.002 0.000 0.989 126 D CA 1.513 55.530 54.000 0.028 0.000 0.827 126 D CB 0.383 41.212 40.800 0.048 0.000 0.966 126 D HN 0.743 nan 8.370 nan 0.000 0.456 127 R N -1.985 118.506 120.500 -0.016 0.000 2.741 127 R HA 0.478 4.817 4.340 -0.001 0.000 0.276 127 R C -2.107 174.158 176.300 -0.059 0.000 1.028 127 R CA -0.979 55.098 56.100 -0.038 0.000 0.865 127 R CB 0.427 30.703 30.300 -0.040 0.000 1.268 127 R HN 0.074 nan 8.270 nan 0.000 0.475 128 L N 1.349 122.526 121.223 -0.075 0.000 2.406 128 L HA 0.558 4.897 4.340 -0.001 0.000 0.272 128 L C -1.450 175.333 176.870 -0.145 0.000 0.980 128 L CA -0.731 54.055 54.840 -0.089 0.000 0.831 128 L CB 1.999 44.031 42.059 -0.045 0.000 1.253 128 L HN 0.833 nan 8.230 nan 0.000 0.406 129 M N 5.728 125.196 119.600 -0.220 0.000 2.036 129 M HA 0.782 5.261 4.480 -0.001 0.000 0.337 129 M C -1.025 174.997 176.300 -0.463 0.000 1.012 129 M CA -0.353 54.717 55.300 -0.384 0.000 0.962 129 M CB 0.915 33.243 32.600 -0.453 0.000 1.423 129 M HN 0.694 nan 8.290 nan 0.000 0.405 130 A N 4.778 127.352 122.820 -0.410 0.000 2.288 130 A HA 0.790 5.110 4.320 -0.001 0.000 0.320 130 A C -1.472 175.877 177.584 -0.392 0.000 1.217 130 A CA -0.435 51.436 52.037 -0.278 0.000 0.840 130 A CB 0.281 19.248 19.000 -0.055 0.000 1.179 130 A HN 0.722 nan 8.150 nan 0.000 0.504 131 F N 1.882 121.883 119.950 0.084 0.000 2.411 131 F HA 0.529 5.056 4.527 -0.001 0.000 0.352 131 F C 1.100 177.026 175.800 0.211 0.000 1.123 131 F CA 0.382 58.479 58.000 0.162 0.000 1.044 131 F CB 1.726 40.841 39.000 0.191 0.000 1.135 131 F HN 1.003 nan 8.300 nan 0.000 0.461 132 A N 2.937 125.954 122.820 0.328 0.000 2.745 132 A HA -0.173 4.146 4.320 -0.001 0.000 0.296 132 A C -2.512 175.094 177.584 0.037 0.000 1.500 132 A CA -0.246 51.930 52.037 0.233 0.000 0.766 132 A CB -2.206 16.955 19.000 0.267 0.000 1.030 132 A HN 0.362 nan 8.150 nan 0.000 0.489 133 P HA 0.351 nan 4.420 nan 0.000 0.275 133 P C -0.662 176.347 177.300 -0.485 0.000 1.227 133 P CA 0.229 63.082 63.100 -0.411 0.000 0.781 133 P CB 0.787 32.031 31.700 -0.761 0.000 0.906 134 D N 1.985 122.137 120.400 -0.413 0.000 2.736 134 D HA 0.066 4.706 4.640 -0.001 0.000 0.293 134 D C 0.432 176.617 176.300 -0.192 0.000 1.241 134 D CA -0.790 53.055 54.000 -0.260 0.000 0.965 134 D CB -0.554 40.160 40.800 -0.145 0.000 0.992 134 D HN 0.179 nan 8.370 nan 0.000 0.510 135 Y N 0.991 121.283 120.300 -0.013 0.000 2.333 135 Y HA -0.062 4.487 4.550 -0.001 0.000 0.290 135 Y C 1.835 177.756 175.900 0.035 0.000 1.144 135 Y CA 0.812 58.925 58.100 0.021 0.000 1.228 135 Y CB -0.101 38.361 38.460 0.003 0.000 0.985 135 Y HN 0.131 nan 8.280 nan 0.000 0.542 136 K N -0.150 120.328 120.400 0.131 0.000 2.440 136 K HA 0.321 4.641 4.320 -0.001 0.000 0.206 136 K C 0.913 177.539 176.600 0.044 0.000 1.025 136 K CA 0.416 56.758 56.287 0.091 0.000 1.135 136 K CB 0.312 32.852 32.500 0.066 0.000 0.856 136 K HN 0.350 nan 8.250 nan 0.000 0.502 137 G N 1.169 109.980 108.800 0.018 0.000 2.598 137 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.244 137 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.244 137 G C -0.409 174.466 174.900 -0.042 0.000 1.302 137 G CA -0.040 45.050 45.100 -0.016 0.000 0.903 137 G HN 0.214 nan 8.290 nan 0.000 0.575 138 T N -1.876 112.645 114.554 -0.055 0.000 2.916 138 T HA 0.593 4.942 4.350 -0.001 0.000 0.305 138 T C 1.448 176.111 174.700 -0.061 0.000 1.119 138 T CA 0.692 62.752 62.100 -0.067 0.000 1.008 138 T CB 1.483 70.288 68.868 -0.105 0.000 1.129 138 T HN 1.996 nan 8.240 nan 0.000 0.480 139 V N 3.292 123.175 119.914 -0.052 0.000 2.871 139 V HA 0.175 4.294 4.120 -0.001 0.000 0.256 139 V C 2.263 178.316 176.094 -0.069 0.000 1.082 139 V CA 0.937 63.208 62.300 -0.049 0.000 1.105 139 V CB -1.088 30.716 31.823 -0.031 0.000 0.713 139 V HN 0.832 nan 8.190 nan 0.000 0.473 140 L N 0.911 122.086 121.223 -0.079 0.000 2.265 140 L HA -0.012 4.327 4.340 -0.001 0.000 0.215 140 L C 2.834 179.634 176.870 -0.117 0.000 1.117 140 L CA 1.385 56.170 54.840 -0.091 0.000 0.782 140 L CB -0.757 41.245 42.059 -0.096 0.000 0.914 140 L HN 0.447 nan 8.230 nan 0.000 0.441 141 A N 0.287 123.026 122.820 -0.134 0.000 2.119 141 A HA 0.060 4.379 4.320 -0.001 0.000 0.216 141 A C 2.388 179.842 177.584 -0.216 0.000 1.152 141 A CA 0.963 52.893 52.037 -0.179 0.000 0.708 141 A CB -0.766 18.123 19.000 -0.185 0.000 0.805 141 A HN 0.403 nan 8.150 nan 0.000 0.460 142 G N 1.171 109.872 108.800 -0.165 0.000 2.529 142 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.219 142 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.219 142 G C -0.185 174.607 174.900 -0.180 0.000 1.177 142 G CA 1.471 46.474 45.100 -0.161 0.000 0.773 142 G HN 0.498 nan 8.290 nan 0.000 0.573 143 P HA -0.049 nan 4.420 nan 0.000 0.215 143 P C 2.074 179.278 177.300 -0.160 0.000 1.153 143 P CA 0.788 63.814 63.100 -0.124 0.000 0.853 143 P CB -0.163 31.480 31.700 -0.095 0.000 0.788 144 L N -0.836 120.265 121.223 -0.203 0.000 2.131 144 L HA -0.159 4.180 4.340 -0.001 0.000 0.210 144 L C 1.771 178.430 176.870 -0.351 0.000 1.092 144 L CA 1.446 56.147 54.840 -0.231 0.000 0.759 144 L CB -1.128 40.790 42.059 -0.234 0.000 0.903 144 L HN -0.004 nan 8.230 nan 0.000 0.435 145 D N 0.707 120.780 120.400 -0.544 0.000 2.144 145 D HA -0.109 4.530 4.640 -0.001 0.000 0.200 145 D C 2.289 178.340 176.300 -0.414 0.000 0.978 145 D CA 1.404 54.818 54.000 -0.978 0.000 0.833 145 D CB 0.009 40.044 40.800 -1.275 0.000 0.961 145 D HN 0.285 nan 8.370 nan 0.000 0.470 146 A N 0.521 123.210 122.820 -0.219 0.000 1.930 146 A HA -0.059 4.260 4.320 -0.001 0.000 0.217 146 A C 2.110 179.680 177.584 -0.023 0.000 1.175 146 A CA 0.774 52.772 52.037 -0.064 0.000 0.627 146 A CB -0.587 18.377 19.000 -0.059 0.000 0.815 146 A HN 0.231 nan 8.150 nan 0.000 0.443 147 L N -1.317 119.873 121.223 -0.055 0.000 2.591 147 L HA 0.269 4.608 4.340 -0.001 0.000 0.228 147 L C 1.395 178.271 176.870 0.009 0.000 1.133 147 L CA 0.311 55.138 54.840 -0.022 0.000 0.880 147 L CB -0.288 41.747 42.059 -0.040 0.000 1.033 147 L HN 0.506 nan 8.230 nan 0.000 0.450 148 A N 0.236 123.080 122.820 0.039 0.000 2.822 148 A HA -0.170 4.149 4.320 -0.001 0.000 0.287 148 A C 0.933 178.569 177.584 0.088 0.000 1.479 148 A CA 0.941 53.059 52.037 0.136 0.000 0.779 148 A CB -2.144 16.939 19.000 0.139 0.000 1.022 148 A HN 0.450 nan 8.150 nan 0.000 0.532 149 V N -3.239 116.678 119.914 0.006 0.000 3.085 149 V HA 0.586 4.705 4.120 -0.001 0.000 0.345 149 V C 0.440 176.513 176.094 -0.035 0.000 1.397 149 V CA 0.419 62.715 62.300 -0.006 0.000 1.165 149 V CB 0.359 32.163 31.823 -0.032 0.000 1.153 149 V HN 0.702 nan 8.190 nan 0.000 0.495 150 S N 2.064 117.736 115.700 -0.046 0.000 2.462 150 S HA 0.845 5.314 4.470 -0.001 0.000 0.294 150 S C 0.536 175.210 174.600 0.125 0.000 1.144 150 S CA 0.110 58.242 58.200 -0.115 0.000 1.088 150 S CB 1.582 64.427 63.200 -0.592 0.000 1.009 150 S HN 0.925 nan 8.310 nan 0.000 0.484 151 A N 4.245 127.115 122.820 0.083 0.000 2.346 151 A HA 0.463 4.782 4.320 -0.001 0.000 0.252 151 A C -1.544 176.174 177.584 0.223 0.000 1.089 151 A CA -1.267 50.849 52.037 0.131 0.000 0.797 151 A CB -0.510 18.529 19.000 0.064 0.000 1.047 151 A HN 0.527 nan 8.150 nan 0.000 0.494 152 P HA -0.231 nan 4.420 nan 0.000 0.216 152 P C 1.718 179.093 177.300 0.125 0.000 1.157 152 P CA 2.567 65.750 63.100 0.138 0.000 0.880 152 P CB 0.012 31.741 31.700 0.048 0.000 0.791 153 S N -1.858 113.881 115.700 0.065 0.000 2.453 153 S HA -0.061 4.408 4.470 -0.001 0.000 0.231 153 S C 1.885 176.497 174.600 0.020 0.000 1.005 153 S CA 0.889 59.100 58.200 0.019 0.000 0.949 153 S CB -1.480 61.712 63.200 -0.014 0.000 0.774 153 S HN -0.051 nan 8.310 nan 0.000 0.510 154 V N 0.078 120.011 119.914 0.031 0.000 2.453 154 V HA -0.058 4.062 4.120 -0.001 0.000 0.247 154 V C 2.197 178.269 176.094 -0.036 0.000 1.048 154 V CA 1.465 63.738 62.300 -0.046 0.000 1.049 154 V CB -1.038 30.721 31.823 -0.108 0.000 0.672 154 V HN 0.570 nan 8.190 nan 0.000 0.457 155 W N 0.427 121.696 121.300 -0.051 0.000 2.355 155 W HA -0.172 4.487 4.660 -0.001 0.000 0.309 155 W C 2.729 179.218 176.519 -0.051 0.000 1.206 155 W CA 1.570 58.888 57.345 -0.044 0.000 1.284 155 W CB -0.356 29.080 29.460 -0.040 0.000 1.145 155 W HN 0.209 nan 8.180 nan 0.000 0.502 156 Q N -0.398 119.514 119.800 0.185 0.000 2.224 156 Q HA -0.196 4.143 4.340 -0.001 0.000 0.203 156 Q C 1.671 177.680 176.000 0.016 0.000 0.970 156 Q CA 1.078 56.913 55.803 0.055 0.000 0.865 156 Q CB -0.349 28.363 28.738 -0.042 0.000 0.922 156 Q HN 0.435 nan 8.270 nan 0.000 0.445 157 Q N 0.216 120.016 119.800 -0.001 0.000 2.282 157 Q HA 0.068 4.407 4.340 -0.001 0.000 0.205 157 Q C -0.417 175.563 176.000 -0.033 0.000 0.915 157 Q CA 0.095 55.879 55.803 -0.032 0.000 0.949 157 Q CB 0.596 29.294 28.738 -0.066 0.000 1.035 157 Q HN 0.131 nan 8.270 nan 0.000 0.484 158 T N 1.231 115.781 114.554 -0.007 0.000 2.806 158 T HA 0.136 4.485 4.350 -0.001 0.000 0.290 158 T C 0.202 174.910 174.700 0.013 0.000 0.966 158 T CA -0.305 61.782 62.100 -0.022 0.000 1.060 158 T CB 1.364 70.215 68.868 -0.028 0.000 0.927 158 T HN 0.012 nan 8.240 nan 0.000 0.485 159 T N 3.070 117.624 114.554 -0.000 0.000 2.905 159 T HA 0.345 4.694 4.350 -0.001 0.000 0.299 159 T C 1.506 176.229 174.700 0.040 0.000 1.024 159 T CA 1.133 63.245 62.100 0.020 0.000 1.151 159 T CB 0.083 68.956 68.868 0.008 0.000 0.987 159 T HN 1.015 nan 8.240 nan 0.000 0.535 160 G N 2.846 111.682 108.800 0.059 0.000 2.157 160 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.248 160 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.248 160 G C 0.413 175.365 174.900 0.087 0.000 0.979 160 G CA 0.167 45.309 45.100 0.070 0.000 0.650 160 G HN 1.167 nan 8.290 nan 0.000 0.529 161 S N -0.260 115.496 115.700 0.093 0.000 2.596 161 S HA 0.674 5.143 4.470 -0.001 0.000 0.260 161 S C 1.829 176.492 174.600 0.106 0.000 1.336 161 S CA 0.518 58.783 58.200 0.108 0.000 0.993 161 S CB 1.583 64.848 63.200 0.108 0.000 0.923 161 S HN 1.673 nan 8.310 nan 0.000 0.567 162 A N 0.532 123.408 122.820 0.093 0.000 1.969 162 A HA 0.026 4.345 4.320 -0.001 0.000 0.218 162 A C 2.022 179.690 177.584 0.141 0.000 1.169 162 A CA 1.265 53.362 52.037 0.100 0.000 0.635 162 A CB -0.916 18.120 19.000 0.060 0.000 0.810 162 A HN 0.869 nan 8.150 nan 0.000 0.445 163 L N 0.156 121.434 121.223 0.091 0.000 2.005 163 L HA -0.131 4.208 4.340 -0.001 0.000 0.207 163 L C 2.847 179.868 176.870 0.253 0.000 1.072 163 L CA 2.554 57.437 54.840 0.072 0.000 0.744 163 L CB -0.531 41.423 42.059 -0.176 0.000 0.895 163 L HN 0.549 nan 8.230 nan 0.000 0.433 164 T N -5.306 109.357 114.554 0.181 0.000 2.995 164 T HA -0.114 4.236 4.350 -0.001 0.000 0.269 164 T C 1.675 176.514 174.700 0.232 0.000 1.091 164 T CA 1.455 63.686 62.100 0.219 0.000 1.128 164 T CB -0.743 68.212 68.868 0.144 0.000 0.891 164 T HN 0.320 nan 8.240 nan 0.000 0.492 165 T N 1.926 116.608 114.554 0.213 0.000 2.770 165 T HA 0.223 4.572 4.350 -0.001 0.000 0.263 165 T C 2.501 177.355 174.700 0.257 0.000 1.039 165 T CA 1.045 63.264 62.100 0.198 0.000 1.142 165 T CB -0.731 68.235 68.868 0.163 0.000 0.868 165 T HN 0.575 nan 8.240 nan 0.000 0.435 166 A N 1.347 124.370 122.820 0.339 0.000 1.902 166 A HA -0.028 4.291 4.320 -0.001 0.000 0.217 166 A C 2.231 180.027 177.584 0.353 0.000 1.181 166 A CA 1.296 53.585 52.037 0.420 0.000 0.623 166 A CB -0.820 18.495 19.000 0.526 0.000 0.818 166 A HN 0.406 nan 8.150 nan 0.000 0.443 167 L N -0.046 121.450 121.223 0.455 0.000 2.017 167 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 167 L C 2.488 179.418 176.870 0.100 0.000 1.073 167 L CA 2.541 57.562 54.840 0.301 0.000 0.745 167 L CB -0.589 41.753 42.059 0.472 0.000 0.894 167 L HN 0.499 nan 8.230 nan 0.000 0.432 168 R N -0.638 119.952 120.500 0.151 0.000 2.073 168 R HA -0.174 4.165 4.340 -0.001 0.000 0.234 168 R C 1.918 178.266 176.300 0.080 0.000 1.134 168 R CA 1.846 58.012 56.100 0.110 0.000 0.952 168 R CB -0.323 30.058 30.300 0.136 0.000 0.850 168 R HN 0.430 nan 8.270 nan 0.000 0.433 169 N N 0.315 119.090 118.700 0.125 0.000 2.453 169 N HA -0.089 4.650 4.740 -0.001 0.000 0.183 169 N C 1.128 176.695 175.510 0.094 0.000 1.041 169 N CA 1.219 54.368 53.050 0.166 0.000 0.900 169 N CB -0.014 38.644 38.487 0.284 0.000 0.961 169 N HN 0.369 nan 8.380 nan 0.000 0.443 170 A N -0.377 122.330 122.820 -0.189 0.000 2.178 170 A HA 0.422 4.742 4.320 -0.001 0.000 0.211 170 A C 1.426 178.782 177.584 -0.380 0.000 1.157 170 A CA 0.815 52.478 52.037 -0.623 0.000 0.780 170 A CB -0.101 18.197 19.000 -1.171 0.000 0.828 170 A HN 0.273 nan 8.150 nan 0.000 0.476 171 G N -2.086 106.594 108.800 -0.199 0.000 2.131 171 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.201 171 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.201 171 G C 0.923 175.734 174.900 -0.148 0.000 1.000 171 G CA 0.253 45.274 45.100 -0.132 0.000 0.680 171 G HN 1.224 nan 8.290 nan 0.000 0.514 172 G N -0.260 108.439 108.800 -0.167 0.000 2.920 172 G HA2 0.354 4.313 3.960 -0.001 0.000 0.208 172 G HA3 0.354 4.313 3.960 -0.001 0.000 0.208 172 G C 1.243 176.068 174.900 -0.125 0.000 1.159 172 G CA 0.498 45.502 45.100 -0.160 0.000 0.784 172 G HN 0.582 nan 8.290 nan 0.000 0.535 173 L N 1.096 122.294 121.223 -0.041 0.000 2.653 173 L HA 0.218 4.557 4.340 -0.001 0.000 0.232 173 L C 0.122 177.005 176.870 0.021 0.000 1.169 173 L CA 0.222 55.038 54.840 -0.040 0.000 0.951 173 L CB 0.049 42.151 42.059 0.072 0.000 1.181 173 L HN -0.008 nan 8.230 nan 0.000 0.460 174 T N -0.144 114.417 114.554 0.011 0.000 2.886 174 T HA 0.249 4.599 4.350 -0.001 0.000 0.292 174 T C -0.352 174.306 174.700 -0.070 0.000 1.012 174 T CA -0.621 61.518 62.100 0.065 0.000 0.982 174 T CB 1.983 70.913 68.868 0.103 0.000 1.018 174 T HN 0.202 nan 8.240 nan 0.000 0.451 175 Q N 2.836 122.585 119.800 -0.086 0.000 2.386 175 Q HA 0.262 4.601 4.340 -0.001 0.000 0.282 175 Q C 0.075 176.022 176.000 -0.087 0.000 1.050 175 Q CA 0.118 55.853 55.803 -0.113 0.000 0.918 175 Q CB 0.563 29.243 28.738 -0.097 0.000 1.266 175 Q HN 0.700 nan 8.270 nan 0.000 0.423 176 I N 1.259 121.773 120.570 -0.094 0.000 3.445 176 I HA 0.091 4.260 4.170 -0.001 0.000 0.288 176 I C 0.471 176.550 176.117 -0.064 0.000 1.198 176 I CA 0.119 61.369 61.300 -0.083 0.000 1.417 176 I CB 1.082 39.024 38.000 -0.096 0.000 1.205 176 I HN 0.666 nan 8.210 nan 0.000 0.448 177 V N -2.629 117.249 119.914 -0.059 0.000 3.102 177 V HA 0.589 4.708 4.120 -0.001 0.000 0.312 177 V C -2.874 173.190 176.094 -0.048 0.000 1.135 177 V CA -2.641 59.632 62.300 -0.046 0.000 1.022 177 V CB 1.142 32.941 31.823 -0.039 0.000 1.056 177 V HN -0.154 nan 8.190 nan 0.000 0.436 178 P HA 0.231 nan 4.420 nan 0.000 0.258 178 P C -0.440 176.826 177.300 -0.056 0.000 1.187 178 P CA 0.865 63.940 63.100 -0.042 0.000 0.767 178 P CB 0.027 31.709 31.700 -0.030 0.000 0.770 179 T N 2.781 117.295 114.554 -0.067 0.000 2.861 179 T HA 0.491 4.841 4.350 -0.001 0.000 0.287 179 T C -0.337 174.310 174.700 -0.087 0.000 1.003 179 T CA -0.466 61.586 62.100 -0.080 0.000 0.977 179 T CB 1.197 70.014 68.868 -0.085 0.000 0.996 179 T HN 0.092 nan 8.240 nan 0.000 0.448 180 T N 3.930 118.417 114.554 -0.111 0.000 2.792 180 T HA 0.445 4.794 4.350 -0.001 0.000 0.280 180 T C -0.378 174.236 174.700 -0.142 0.000 0.990 180 T CA -0.911 61.115 62.100 -0.123 0.000 0.960 180 T CB 0.565 69.336 68.868 -0.161 0.000 0.939 180 T HN 0.399 nan 8.240 nan 0.000 0.439 181 N N 3.491 122.153 118.700 -0.062 0.000 2.564 181 N HA 0.262 5.001 4.740 -0.001 0.000 0.248 181 N C -1.184 174.397 175.510 0.118 0.000 0.986 181 N CA -0.592 52.467 53.050 0.015 0.000 0.921 181 N CB 1.624 40.173 38.487 0.104 0.000 1.136 181 N HN 0.427 nan 8.380 nan 0.000 0.509 182 L N 4.493 125.727 121.223 0.019 0.000 2.275 182 L HA 0.457 4.796 4.340 -0.001 0.000 0.288 182 L C -0.997 176.089 176.870 0.361 0.000 1.046 182 L CA -0.260 54.659 54.840 0.132 0.000 0.805 182 L CB -0.001 42.108 42.059 0.083 0.000 1.193 182 L HN 0.547 nan 8.230 nan 0.000 0.426 183 Y N 1.932 122.337 120.300 0.175 0.000 2.744 183 Y HA 0.663 5.212 4.550 -0.001 0.000 0.330 183 Y C -1.209 174.818 175.900 0.211 0.000 1.263 183 Y CA -1.247 56.969 58.100 0.193 0.000 1.065 183 Y CB 1.197 39.744 38.460 0.146 0.000 1.306 183 Y HN 0.467 nan 8.280 nan 0.000 0.459 184 S N -0.265 115.613 115.700 0.296 0.000 2.536 184 S HA 0.700 5.169 4.470 -0.001 0.000 0.287 184 S C 0.405 175.127 174.600 0.203 0.000 1.101 184 S CA -0.148 58.149 58.200 0.162 0.000 0.950 184 S CB 1.526 64.819 63.200 0.155 0.000 1.056 184 S HN 1.375 nan 8.310 nan 0.000 0.481 185 A N 2.276 125.169 122.820 0.122 0.000 2.015 185 A HA 0.066 4.385 4.320 -0.001 0.000 0.219 185 A C 1.600 179.246 177.584 0.104 0.000 1.163 185 A CA 1.716 53.831 52.037 0.131 0.000 0.646 185 A CB -0.981 18.071 19.000 0.088 0.000 0.806 185 A HN 1.137 nan 8.150 nan 0.000 0.448 186 T N -1.663 112.939 114.554 0.079 0.000 3.327 186 T HA 0.201 4.550 4.350 -0.001 0.000 0.241 186 T C -0.264 174.478 174.700 0.071 0.000 0.907 186 T CA -0.305 61.826 62.100 0.052 0.000 0.931 186 T CB -0.371 68.504 68.868 0.012 0.000 1.112 186 T HN 0.203 nan 8.240 nan 0.000 0.589 187 D N 2.399 122.863 120.400 0.106 0.000 2.313 187 D HA 0.044 4.683 4.640 -0.001 0.000 0.239 187 D C 1.225 177.559 176.300 0.056 0.000 1.142 187 D CA -0.333 53.743 54.000 0.128 0.000 0.847 187 D CB 1.210 42.123 40.800 0.189 0.000 1.082 187 D HN 0.560 nan 8.370 nan 0.000 0.480 188 E N 4.527 124.750 120.200 0.038 0.000 2.481 188 E HA -0.088 4.262 4.350 -0.001 0.000 0.195 188 E C 0.887 177.444 176.600 -0.071 0.000 1.047 188 E CA 0.312 56.706 56.400 -0.009 0.000 0.867 188 E CB 0.307 30.008 29.700 0.001 0.000 0.858 188 E HN 0.428 nan 8.360 nan 0.000 0.513 189 I N 0.780 121.259 120.570 -0.150 0.000 3.194 189 I HA 0.092 4.261 4.170 -0.001 0.000 0.271 189 I C 0.856 176.812 176.117 -0.268 0.000 1.150 189 I CA 0.251 61.371 61.300 -0.299 0.000 1.440 189 I CB 0.073 37.668 38.000 -0.675 0.000 1.276 189 I HN -0.156 nan 8.210 nan 0.000 0.457 190 V N 3.851 123.626 119.914 -0.231 0.000 2.370 190 V HA 0.444 4.563 4.120 -0.001 0.000 0.279 190 V C -0.306 175.767 176.094 -0.035 0.000 1.029 190 V CA -0.369 61.858 62.300 -0.121 0.000 0.870 190 V CB 1.433 33.215 31.823 -0.069 0.000 0.984 190 V HN 0.303 nan 8.190 nan 0.000 0.451 191 Q N 5.181 124.959 119.800 -0.037 0.000 2.418 191 Q HA 0.476 4.815 4.340 -0.001 0.000 0.282 191 Q C -2.876 173.117 176.000 -0.012 0.000 1.044 191 Q CA -1.738 54.061 55.803 -0.007 0.000 0.813 191 Q CB 3.341 32.074 28.738 -0.007 0.000 1.428 191 Q HN 0.401 nan 8.270 nan 0.000 0.402 192 P HA 0.240 nan 4.420 nan 0.000 0.279 192 P C -0.388 176.941 177.300 0.047 0.000 1.239 192 P CA -0.127 62.989 63.100 0.027 0.000 0.789 192 P CB 1.157 32.871 31.700 0.024 0.000 0.933 193 Q N 1.567 121.428 119.800 0.102 0.000 2.028 193 Q HA 0.095 4.434 4.340 -0.001 0.000 0.207 193 Q C 1.285 177.439 176.000 0.256 0.000 0.776 193 Q CA 0.108 56.037 55.803 0.211 0.000 1.015 193 Q CB 0.655 29.555 28.738 0.271 0.000 1.215 193 Q HN 0.414 nan 8.270 nan 0.000 0.445 194 V N -1.963 118.041 119.914 0.151 0.000 2.788 194 V HA -0.029 4.090 4.120 -0.001 0.000 0.251 194 V C 2.120 178.280 176.094 0.110 0.000 1.068 194 V CA 1.666 64.037 62.300 0.119 0.000 1.090 194 V CB -0.455 31.413 31.823 0.076 0.000 0.710 194 V HN 0.239 nan 8.190 nan 0.000 0.467 195 S N 0.484 116.248 115.700 0.106 0.000 2.481 195 S HA -0.123 4.346 4.470 -0.001 0.000 0.231 195 S C 1.322 175.983 174.600 0.103 0.000 0.996 195 S CA 0.779 59.029 58.200 0.083 0.000 0.942 195 S CB -1.137 62.093 63.200 0.050 0.000 0.768 195 S HN 0.890 nan 8.310 nan 0.000 0.520 196 N N 1.083 119.887 118.700 0.173 0.000 2.738 196 N HA -0.209 4.530 4.740 -0.001 0.000 0.249 196 N C -0.306 175.303 175.510 0.164 0.000 1.047 196 N CA 0.544 53.718 53.050 0.207 0.000 0.707 196 N CB -1.237 37.326 38.487 0.127 0.000 0.937 196 N HN 0.826 nan 8.380 nan 0.000 0.545 197 S N -1.857 113.896 115.700 0.089 0.000 2.752 197 S HA 0.565 5.034 4.470 -0.001 0.000 0.284 197 S C -2.674 171.615 174.600 -0.520 0.000 1.189 197 S CA -0.896 57.218 58.200 -0.144 0.000 0.835 197 S CB 1.970 65.118 63.200 -0.086 0.000 1.192 197 S HN -0.135 nan 8.310 nan 0.000 0.506 198 P HA 0.134 nan 4.420 nan 0.000 0.231 198 P C 1.069 178.144 177.300 -0.376 0.000 1.158 198 P CA 0.662 63.139 63.100 -1.039 0.000 0.763 198 P CB -0.141 31.196 31.700 -0.605 0.000 0.805 199 L N -1.526 119.574 121.223 -0.206 0.000 2.291 199 L HA -0.039 4.300 4.340 -0.001 0.000 0.214 199 L C 0.527 177.371 176.870 -0.043 0.000 1.120 199 L CA 0.624 55.418 54.840 -0.077 0.000 0.799 199 L CB -0.659 41.380 42.059 -0.034 0.000 0.925 199 L HN -0.028 nan 8.230 nan 0.000 0.446 200 D N -0.698 119.679 120.400 -0.039 0.000 2.382 200 D HA -0.040 4.599 4.640 -0.001 0.000 0.245 200 D C 1.098 177.363 176.300 -0.058 0.000 1.120 200 D CA 0.186 54.175 54.000 -0.020 0.000 0.890 200 D CB 1.708 42.523 40.800 0.025 0.000 1.201 200 D HN -0.181 nan 8.370 nan 0.000 0.433 201 S N 0.929 116.579 115.700 -0.083 0.000 2.383 201 S HA -0.154 4.315 4.470 -0.001 0.000 0.229 201 S C 1.680 176.231 174.600 -0.080 0.000 1.030 201 S CA 1.277 59.438 58.200 -0.065 0.000 1.002 201 S CB 0.105 63.258 63.200 -0.079 0.000 0.829 201 S HN 0.401 nan 8.310 nan 0.000 0.467 202 S N -0.326 115.197 115.700 -0.294 0.000 2.562 202 S HA 0.172 4.641 4.470 -0.001 0.000 0.221 202 S C 0.128 174.699 174.600 -0.047 0.000 0.975 202 S CA -0.278 57.732 58.200 -0.316 0.000 0.918 202 S CB -0.196 62.553 63.200 -0.752 0.000 0.772 202 S HN 0.640 nan 8.310 nan 0.000 0.531 203 Y N 2.156 122.347 120.300 -0.182 0.000 2.442 203 Y HA 0.413 4.962 4.550 -0.002 0.000 0.330 203 Y C -0.385 175.392 175.900 -0.205 0.000 1.129 203 Y CA -0.252 57.763 58.100 -0.141 0.000 1.365 203 Y CB 0.269 38.621 38.460 -0.180 0.000 1.233 203 Y HN 0.042 nan 8.280 nan 0.000 0.529 204 L N 7.117 128.044 121.223 -0.495 0.000 2.381 204 L HA 0.344 4.683 4.340 -0.001 0.000 0.274 204 L C -0.982 175.601 176.870 -0.477 0.000 0.988 204 L CA -0.967 53.615 54.840 -0.431 0.000 0.824 204 L CB 1.147 42.971 42.059 -0.391 0.000 1.263 204 L HN 0.504 nan 8.230 nan 0.000 0.410 205 F N 3.698 123.630 119.950 -0.030 0.000 2.572 205 F HA 0.081 4.607 4.527 -0.001 0.000 0.370 205 F C 1.379 177.139 175.800 -0.065 0.000 1.103 205 F CA 0.422 58.453 58.000 0.051 0.000 1.286 205 F CB 0.112 39.172 39.000 0.101 0.000 1.105 205 F HN 0.614 nan 8.300 nan 0.000 0.583 206 N N -0.522 118.267 118.700 0.148 0.000 2.965 206 N HA -0.152 4.587 4.740 -0.001 0.000 0.232 206 N C 0.192 175.681 175.510 -0.035 0.000 0.913 206 N CA 1.008 54.088 53.050 0.050 0.000 0.981 206 N CB -1.362 37.151 38.487 0.044 0.000 1.077 206 N HN 0.805 nan 8.380 nan 0.000 0.589 207 G N 0.232 108.956 108.800 -0.127 0.000 2.477 207 G HA2 0.466 4.425 3.960 -0.001 0.000 0.304 207 G HA3 0.466 4.425 3.960 -0.001 0.000 0.304 207 G C 0.040 174.857 174.900 -0.137 0.000 1.175 207 G CA -0.341 44.669 45.100 -0.150 0.000 0.907 207 G HN 0.081 nan 8.290 nan 0.000 0.509 208 K N 1.376 121.725 120.400 -0.085 0.000 2.150 208 K HA 0.109 4.428 4.320 -0.001 0.000 0.261 208 K C -0.180 176.399 176.600 -0.036 0.000 1.127 208 K CA -0.366 55.900 56.287 -0.036 0.000 0.989 208 K CB -0.604 31.889 32.500 -0.011 0.000 1.475 208 K HN 0.369 nan 8.250 nan 0.000 0.391 209 N N 3.523 122.196 118.700 -0.046 0.000 2.406 209 N HA 0.108 4.847 4.740 -0.001 0.000 0.251 209 N C -1.040 174.550 175.510 0.134 0.000 1.069 209 N CA -0.300 52.780 53.050 0.051 0.000 0.947 209 N CB 1.499 39.950 38.487 -0.060 0.000 1.111 209 N HN 0.093 nan 8.380 nan 0.000 0.497 210 V N 2.670 122.650 119.914 0.111 0.000 2.293 210 V HA 0.168 4.287 4.120 -0.001 0.000 0.275 210 V C 0.415 176.419 176.094 -0.151 0.000 1.021 210 V CA -0.721 61.593 62.300 0.024 0.000 0.815 210 V CB 1.165 32.958 31.823 -0.051 0.000 1.025 210 V HN 0.559 nan 8.190 nan 0.000 0.448 211 Q N 3.221 122.841 119.800 -0.300 0.000 2.279 211 Q HA 0.462 4.801 4.340 -0.001 0.000 0.256 211 Q C 1.288 177.213 176.000 -0.124 0.000 0.937 211 Q CA 0.194 55.645 55.803 -0.587 0.000 0.933 211 Q CB 1.786 30.215 28.738 -0.515 0.000 1.189 211 Q HN 0.822 nan 8.270 nan 0.000 0.417 212 A N 3.895 126.717 122.820 0.003 0.000 1.892 212 A HA -0.292 4.027 4.320 -0.001 0.000 0.218 212 A C 1.657 179.259 177.584 0.029 0.000 1.188 212 A CA 1.953 54.088 52.037 0.163 0.000 0.631 212 A CB -0.314 18.902 19.000 0.360 0.000 0.822 212 A HN 0.860 nan 8.150 nan 0.000 0.447 213 Q N -0.516 119.319 119.800 0.058 0.000 2.364 213 Q HA 0.175 4.514 4.340 -0.001 0.000 0.207 213 Q C 2.084 178.086 176.000 0.002 0.000 0.970 213 Q CA 1.220 57.050 55.803 0.045 0.000 0.888 213 Q CB -0.588 28.185 28.738 0.059 0.000 0.951 213 Q HN 0.684 nan 8.270 nan 0.000 0.469 214 A N -0.480 122.342 122.820 0.003 0.000 2.014 214 A HA -0.057 4.262 4.320 -0.001 0.000 0.218 214 A C 2.004 179.603 177.584 0.025 0.000 1.163 214 A CA 1.211 53.263 52.037 0.024 0.000 0.652 214 A CB -0.075 18.952 19.000 0.044 0.000 0.808 214 A HN 0.236 nan 8.150 nan 0.000 0.449 215 V N -2.090 117.827 119.914 0.005 0.000 2.672 215 V HA -0.108 4.011 4.120 -0.001 0.000 0.242 215 V C 1.957 177.954 176.094 -0.162 0.000 1.059 215 V CA 1.472 63.773 62.300 0.002 0.000 1.081 215 V CB -0.120 31.804 31.823 0.169 0.000 0.752 215 V HN 0.607 nan 8.190 nan 0.000 0.472 216 c N 0.590 118.984 118.600 -0.344 0.000 2.791 216 c HA 0.639 5.208 4.570 -0.001 0.000 0.270 216 c C 1.270 175.243 174.090 -0.196 0.000 1.257 216 c CA -0.156 55.891 56.329 -0.469 0.000 1.699 216 c CB -1.258 40.527 42.510 -1.209 0.000 1.904 216 c HN 0.800 nan 8.230 nan 0.000 0.603 217 G N 2.098 110.849 108.800 -0.081 0.000 2.690 217 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.686 217 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.686 217 G C -1.509 173.418 174.900 0.045 0.000 1.277 217 G CA -0.187 44.907 45.100 -0.010 0.000 0.799 217 G HN 0.014 nan 8.290 nan 0.000 0.613 218 P HA -0.094 nan 4.420 nan 0.000 0.219 218 P C 1.868 179.203 177.300 0.058 0.000 1.146 218 P CA 1.269 64.398 63.100 0.049 0.000 0.808 218 P CB 0.081 31.801 31.700 0.033 0.000 0.779 219 L N -2.416 118.845 121.223 0.064 0.000 2.599 219 L HA 0.109 4.448 4.340 -0.001 0.000 0.230 219 L C 1.197 178.127 176.870 0.100 0.000 1.141 219 L CA -0.201 54.675 54.840 0.061 0.000 0.877 219 L CB -0.644 41.443 42.059 0.048 0.000 1.009 219 L HN -0.104 nan 8.230 nan 0.000 0.447 220 F N 1.567 121.486 119.950 -0.051 0.000 2.444 220 F HA 0.304 4.830 4.527 -0.002 0.000 0.360 220 F C -0.134 175.638 175.800 -0.045 0.000 1.106 220 F CA -0.548 57.410 58.000 -0.070 0.000 1.170 220 F CB 0.607 39.527 39.000 -0.133 0.000 1.113 220 F HN -0.387 nan 8.300 nan 0.000 0.521 221 V N 8.457 128.109 119.914 -0.436 0.000 2.444 221 V HA 0.482 4.601 4.120 -0.001 0.000 0.294 221 V C -0.270 175.532 176.094 -0.487 0.000 1.022 221 V CA -0.731 61.362 62.300 -0.344 0.000 0.850 221 V CB 1.512 33.237 31.823 -0.162 0.000 0.992 221 V HN 0.619 nan 8.190 nan 0.000 0.426 222 I N 1.648 122.006 120.570 -0.354 0.000 2.548 222 I HA 0.638 4.807 4.170 -0.001 0.000 0.287 222 I C -0.234 175.852 176.117 -0.052 0.000 1.103 222 I CA -0.697 60.463 61.300 -0.233 0.000 1.049 222 I CB 2.043 39.901 38.000 -0.237 0.000 1.232 222 I HN 0.606 nan 8.210 nan 0.000 0.429 223 D N 4.047 124.444 120.400 -0.005 0.000 2.376 223 D HA -0.025 4.614 4.640 -0.001 0.000 0.281 223 D C 0.963 177.373 176.300 0.184 0.000 1.215 223 D CA 0.250 54.299 54.000 0.082 0.000 1.062 223 D CB 0.151 40.993 40.800 0.071 0.000 1.124 223 D HN 0.786 nan 8.370 nan 0.000 0.550 224 H N -0.943 118.207 119.070 0.133 0.000 2.387 224 H HA 0.026 4.581 4.556 -0.002 0.000 0.299 224 H C 1.808 177.364 175.328 0.380 0.000 1.090 224 H CA 2.616 58.812 56.048 0.246 0.000 1.332 224 H CB -0.314 29.571 29.762 0.205 0.000 1.386 224 H HN 0.448 nan 8.280 nan 0.000 0.516 225 A N -0.714 122.235 122.820 0.216 0.000 1.935 225 A HA 0.122 4.441 4.320 -0.001 0.000 0.214 225 A C 2.650 180.147 177.584 -0.145 0.000 1.178 225 A CA 0.848 52.860 52.037 -0.041 0.000 0.640 225 A CB -0.948 18.019 19.000 -0.055 0.000 0.825 225 A HN 0.525 nan 8.150 nan 0.000 0.447 226 G N -0.414 108.359 108.800 -0.044 0.000 2.448 226 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.219 226 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.219 226 G C 1.643 176.545 174.900 0.004 0.000 1.127 226 G CA 1.263 46.333 45.100 -0.049 0.000 0.766 226 G HN 0.453 nan 8.290 nan 0.000 0.552 227 S N -0.199 115.542 115.700 0.068 0.000 2.419 227 S HA -0.073 4.396 4.470 -0.001 0.000 0.233 227 S C 2.022 176.679 174.600 0.095 0.000 1.016 227 S CA 1.093 59.403 58.200 0.183 0.000 0.974 227 S CB -0.069 63.300 63.200 0.282 0.000 0.786 227 S HN 0.325 nan 8.310 nan 0.000 0.492 228 L N 1.219 122.340 121.223 -0.170 0.000 2.200 228 L HA 0.090 4.429 4.340 -0.001 0.000 0.200 228 L C 2.437 179.110 176.870 -0.329 0.000 1.072 228 L CA 1.707 56.261 54.840 -0.476 0.000 0.787 228 L CB -0.806 40.785 42.059 -0.780 0.000 0.957 228 L HN 0.369 nan 8.230 nan 0.000 0.459 229 T N -2.645 111.742 114.554 -0.279 0.000 3.054 229 T HA 0.086 4.435 4.350 -0.001 0.000 0.259 229 T C 1.103 175.714 174.700 -0.149 0.000 1.092 229 T CA 0.363 62.318 62.100 -0.241 0.000 1.121 229 T CB -0.835 67.878 68.868 -0.259 0.000 0.912 229 T HN 0.463 nan 8.240 nan 0.000 0.489 230 S N 1.187 116.859 115.700 -0.046 0.000 2.576 230 S HA 0.087 4.557 4.470 -0.001 0.000 0.272 230 S C 1.274 175.940 174.600 0.111 0.000 1.352 230 S CA -0.223 58.008 58.200 0.052 0.000 1.021 230 S CB 1.028 64.320 63.200 0.153 0.000 0.887 230 S HN 0.332 nan 8.310 nan 0.000 0.542 231 Q N 0.919 120.804 119.800 0.141 0.000 2.124 231 Q HA -0.113 4.227 4.340 -0.001 0.000 0.202 231 Q C 1.518 177.691 176.000 0.289 0.000 0.977 231 Q CA 1.982 57.891 55.803 0.177 0.000 0.850 231 Q CB -0.657 28.165 28.738 0.140 0.000 0.901 231 Q HN 0.849 nan 8.270 nan 0.000 0.429 232 F N 0.115 120.175 119.950 0.184 0.000 2.146 232 F HA -0.080 4.446 4.527 -0.002 0.000 0.298 232 F C 2.046 177.947 175.800 0.168 0.000 1.096 232 F CA 1.745 59.840 58.000 0.159 0.000 1.275 232 F CB -0.612 38.501 39.000 0.187 0.000 1.008 232 F HN 0.043 nan 8.300 nan 0.000 0.480 233 S N -0.545 115.249 115.700 0.157 0.000 2.382 233 S HA -0.244 4.225 4.470 -0.001 0.000 0.228 233 S C 1.778 176.533 174.600 0.259 0.000 1.027 233 S CA 1.360 59.649 58.200 0.148 0.000 0.991 233 S CB -0.879 62.435 63.200 0.189 0.000 0.823 233 S HN 0.657 nan 8.310 nan 0.000 0.469 234 Y N 2.341 122.706 120.300 0.109 0.000 2.200 234 Y HA -0.101 4.448 4.550 -0.001 0.000 0.290 234 Y C 2.149 178.140 175.900 0.152 0.000 1.137 234 Y CA 0.912 59.082 58.100 0.117 0.000 1.163 234 Y CB -0.594 37.787 38.460 -0.131 0.000 0.988 234 Y HN 0.025 nan 8.280 nan 0.000 0.518 235 V N -0.751 119.117 119.914 -0.078 0.000 2.490 235 V HA -0.275 3.844 4.120 -0.001 0.000 0.250 235 V C 2.248 178.239 176.094 -0.173 0.000 1.061 235 V CA 1.719 63.932 62.300 -0.145 0.000 1.064 235 V CB -0.631 31.203 31.823 0.018 0.000 0.670 235 V HN 0.365 nan 8.190 nan 0.000 0.461 236 V N 0.526 120.273 119.914 -0.278 0.000 2.591 236 V HA -0.014 4.106 4.120 -0.001 0.000 0.249 236 V C 2.526 178.548 176.094 -0.121 0.000 1.053 236 V CA 1.729 63.830 62.300 -0.333 0.000 1.068 236 V CB -0.872 30.570 31.823 -0.635 0.000 0.689 236 V HN 0.583 nan 8.190 nan 0.000 0.462 237 G N -0.199 108.635 108.800 0.057 0.000 2.394 237 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.215 237 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.215 237 G C 1.703 176.628 174.900 0.042 0.000 1.165 237 G CA 0.721 45.892 45.100 0.118 0.000 0.784 237 G HN 0.406 nan 8.290 nan 0.000 0.535 238 R N 0.307 120.791 120.500 -0.026 0.000 2.096 238 R HA -0.044 4.295 4.340 -0.001 0.000 0.235 238 R C 2.668 178.958 176.300 -0.018 0.000 1.127 238 R CA 1.618 57.674 56.100 -0.074 0.000 0.968 238 R CB -0.368 29.734 30.300 -0.329 0.000 0.861 238 R HN 0.360 nan 8.270 nan 0.000 0.440 239 S N -0.215 115.471 115.700 -0.024 0.000 2.356 239 S HA -0.114 4.355 4.470 -0.001 0.000 0.223 239 S C 1.956 176.566 174.600 0.017 0.000 1.032 239 S CA 1.228 59.442 58.200 0.024 0.000 1.005 239 S CB -0.197 63.056 63.200 0.089 0.000 0.867 239 S HN 0.528 nan 8.310 nan 0.000 0.449 240 A N 1.352 124.161 122.820 -0.019 0.000 1.902 240 A HA 0.067 4.386 4.320 -0.001 0.000 0.217 240 A C 2.165 179.733 177.584 -0.026 0.000 1.181 240 A CA 1.458 53.469 52.037 -0.042 0.000 0.623 240 A CB -0.804 18.127 19.000 -0.115 0.000 0.818 240 A HN 0.582 nan 8.150 nan 0.000 0.443 241 L N -1.262 119.952 121.223 -0.015 0.000 2.291 241 L HA -0.081 4.258 4.340 -0.001 0.000 0.214 241 L C 2.595 179.531 176.870 0.109 0.000 1.120 241 L CA 0.641 55.502 54.840 0.036 0.000 0.799 241 L CB -0.332 41.755 42.059 0.047 0.000 0.925 241 L HN 0.232 nan 8.230 nan 0.000 0.446 242 R N -0.589 119.960 120.500 0.081 0.000 2.189 242 R HA 0.141 4.480 4.340 -0.001 0.000 0.203 242 R C 1.130 177.459 176.300 0.048 0.000 1.012 242 R CA 0.099 56.244 56.100 0.074 0.000 1.015 242 R CB -0.273 30.064 30.300 0.062 0.000 0.938 242 R HN 0.134 nan 8.270 nan 0.000 0.472 243 S N 1.381 117.102 115.700 0.036 0.000 2.558 243 S HA -0.052 4.417 4.470 -0.001 0.000 0.293 243 S C 1.310 175.924 174.600 0.022 0.000 1.292 243 S CA 0.383 58.598 58.200 0.025 0.000 1.063 243 S CB 0.700 63.911 63.200 0.019 0.000 0.831 243 S HN 0.480 nan 8.310 nan 0.000 0.499 244 T N 0.857 115.421 114.554 0.018 0.000 3.113 244 T HA -0.005 4.344 4.350 -0.001 0.000 0.256 244 T C 1.549 176.256 174.700 0.011 0.000 1.131 244 T CA 0.874 62.983 62.100 0.015 0.000 1.074 244 T CB -0.537 68.339 68.868 0.013 0.000 0.944 244 T HN 0.748 nan 8.240 nan 0.000 0.516 245 T N -2.524 112.035 114.554 0.009 0.000 3.044 245 T HA 0.478 4.827 4.350 -0.001 0.000 0.250 245 T C 1.972 176.672 174.700 0.001 0.000 1.081 245 T CA 0.508 62.611 62.100 0.005 0.000 1.040 245 T CB -0.238 68.633 68.868 0.005 0.000 0.962 245 T HN 0.755 nan 8.240 nan 0.000 0.506 246 G N 0.821 109.622 108.800 0.001 0.000 2.176 246 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.253 246 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.253 246 G C -0.213 174.675 174.900 -0.021 0.000 0.979 246 G CA 0.117 45.212 45.100 -0.008 0.000 0.641 246 G HN 0.701 nan 8.290 nan 0.000 0.530 247 Q N -0.429 119.364 119.800 -0.013 0.000 2.423 247 Q HA 0.718 5.057 4.340 -0.001 0.000 0.278 247 Q C 0.170 176.174 176.000 0.006 0.000 1.097 247 Q CA -0.481 55.312 55.803 -0.017 0.000 0.809 247 Q CB 2.123 30.854 28.738 -0.012 0.000 1.391 247 Q HN 0.858 nan 8.270 nan 0.000 0.428 248 A N 1.722 124.548 122.820 0.010 0.000 2.531 248 A HA 0.153 4.472 4.320 -0.001 0.000 0.236 248 A C -0.348 177.317 177.584 0.135 0.000 1.062 248 A CA 0.318 52.398 52.037 0.072 0.000 0.760 248 A CB 0.183 19.216 19.000 0.055 0.000 0.995 248 A HN 0.586 nan 8.150 nan 0.000 0.501 249 R N 2.360 122.942 120.500 0.136 0.000 2.338 249 R HA 0.310 4.649 4.340 -0.001 0.000 0.317 249 R C 0.847 177.094 176.300 -0.088 0.000 0.968 249 R CA -0.291 55.837 56.100 0.047 0.000 0.849 249 R CB 1.408 31.711 30.300 0.006 0.000 1.128 249 R HN 0.808 nan 8.270 nan 0.000 0.448 250 S N 2.043 117.613 115.700 -0.217 0.000 2.402 250 S HA -0.242 4.227 4.470 -0.001 0.000 0.233 250 S C 1.873 176.125 174.600 -0.582 0.000 1.030 250 S CA 1.700 59.530 58.200 -0.617 0.000 1.003 250 S CB -0.040 63.000 63.200 -0.267 0.000 0.813 250 S HN 0.790 nan 8.310 nan 0.000 0.477 251 A N 1.305 123.958 122.820 -0.277 0.000 2.121 251 A HA -0.074 4.245 4.320 -0.001 0.000 0.218 251 A C 1.436 178.932 177.584 -0.147 0.000 1.154 251 A CA 1.183 53.115 52.037 -0.175 0.000 0.679 251 A CB -0.245 18.700 19.000 -0.091 0.000 0.795 251 A HN 0.312 nan 8.150 nan 0.000 0.458 252 D N -1.996 118.313 120.400 -0.151 0.000 2.350 252 D HA 0.190 4.829 4.640 -0.001 0.000 0.213 252 D C 0.035 176.377 176.300 0.069 0.000 1.031 252 D CA 0.631 54.623 54.000 -0.013 0.000 0.861 252 D CB 0.089 40.928 40.800 0.065 0.000 0.926 252 D HN 0.697 nan 8.370 nan 0.000 0.520 253 Y N -1.979 118.331 120.300 0.016 0.000 2.615 253 Y HA 0.736 5.285 4.550 -0.002 0.000 0.341 253 Y C 0.074 176.026 175.900 0.086 0.000 1.089 253 Y CA -1.374 56.754 58.100 0.046 0.000 1.049 253 Y CB 1.225 39.685 38.460 0.000 0.000 1.296 253 Y HN -0.144 nan 8.280 nan 0.000 0.470 254 G N 0.522 109.509 108.800 0.312 0.000 2.490 254 G HA2 0.271 4.230 3.960 -0.001 0.000 0.308 254 G HA3 0.271 4.230 3.960 -0.001 0.000 0.308 254 G C -0.229 174.755 174.900 0.140 0.000 1.286 254 G CA -0.508 44.702 45.100 0.182 0.000 0.825 254 G HN 0.815 nan 8.290 nan 0.000 0.479 255 I N 0.923 121.510 120.570 0.028 0.000 2.248 255 I HA -0.211 3.958 4.170 -0.001 0.000 0.248 255 I C 3.079 179.171 176.117 -0.042 0.000 1.107 255 I CA 2.274 63.541 61.300 -0.055 0.000 1.373 255 I CB -0.403 37.566 38.000 -0.050 0.000 1.055 255 I HN 0.653 nan 8.210 nan 0.000 0.418 256 T N -2.775 111.787 114.554 0.013 0.000 3.007 256 T HA -0.120 4.229 4.350 -0.001 0.000 0.270 256 T C 1.200 175.936 174.700 0.060 0.000 1.107 256 T CA 1.009 63.126 62.100 0.028 0.000 1.118 256 T CB -0.330 68.560 68.868 0.037 0.000 0.889 256 T HN 0.332 nan 8.240 nan 0.000 0.506 257 D N 0.321 120.787 120.400 0.110 0.000 2.339 257 D HA 0.121 4.760 4.640 -0.001 0.000 0.217 257 D C 0.114 176.534 176.300 0.199 0.000 1.050 257 D CA 0.009 54.133 54.000 0.206 0.000 0.856 257 D CB -0.130 40.867 40.800 0.328 0.000 0.922 257 D HN 0.444 nan 8.370 nan 0.000 0.518 258 c N 2.541 121.097 118.600 -0.074 0.000 3.585 258 c HA 0.128 4.697 4.570 -0.001 0.000 0.575 258 c C 0.816 174.885 174.090 -0.036 0.000 1.068 258 c CA -0.941 55.116 56.329 -0.453 0.000 1.113 258 c CB -2.390 39.664 42.510 -0.760 0.000 1.381 258 c HN 0.122 nan 8.230 nan 0.000 0.635 259 N N 2.253 121.080 118.700 0.212 0.000 2.444 259 N HA 0.279 5.018 4.740 -0.001 0.000 0.262 259 N C -1.313 174.433 175.510 0.392 0.000 0.974 259 N CA -2.140 51.073 53.050 0.271 0.000 0.933 259 N CB 1.918 40.506 38.487 0.168 0.000 1.137 259 N HN 0.157 nan 8.380 nan 0.000 0.498 260 P HA 0.037 nan 4.420 nan 0.000 0.236 260 P C 0.213 177.523 177.300 0.017 0.000 1.177 260 P CA 0.432 63.565 63.100 0.054 0.000 0.773 260 P CB 0.690 32.270 31.700 -0.200 0.000 0.878 261 L N 0.621 121.869 121.223 0.041 0.000 2.439 261 L HA 0.333 4.672 4.340 -0.001 0.000 0.261 261 L C -2.050 174.811 176.870 -0.014 0.000 1.153 261 L CA -2.507 52.331 54.840 -0.004 0.000 0.808 261 L CB -0.528 41.527 42.059 -0.006 0.000 1.126 261 L HN -0.277 nan 8.230 nan 0.000 0.460 262 P HA -0.064 nan 4.420 nan 0.000 0.266 262 P C -0.592 176.640 177.300 -0.113 0.000 1.186 262 P CA -0.039 62.998 63.100 -0.105 0.000 0.767 262 P CB 0.400 32.023 31.700 -0.128 0.000 0.820 263 A N 3.158 125.874 122.820 -0.173 0.000 2.609 263 A HA -0.140 4.180 4.320 -0.001 0.000 0.232 263 A C 1.333 178.776 177.584 -0.235 0.000 1.041 263 A CA 0.557 52.453 52.037 -0.235 0.000 0.753 263 A CB -0.734 17.978 19.000 -0.480 0.000 0.966 263 A HN 0.655 nan 8.150 nan 0.000 0.510 264 N N 0.896 119.480 118.700 -0.193 0.000 2.223 264 N HA -0.136 4.603 4.740 -0.001 0.000 0.185 264 N C 0.286 175.684 175.510 -0.187 0.000 1.016 264 N CA 1.350 54.312 53.050 -0.147 0.000 0.863 264 N CB -0.032 38.405 38.487 -0.084 0.000 0.983 264 N HN 0.714 nan 8.380 nan 0.000 0.429 265 D N 0.502 120.726 120.400 -0.293 0.000 2.363 265 D HA 0.033 4.672 4.640 -0.001 0.000 0.226 265 D C 0.215 176.371 176.300 -0.240 0.000 1.020 265 D CA 0.402 54.243 54.000 -0.266 0.000 0.892 265 D CB 0.059 40.655 40.800 -0.341 0.000 0.900 265 D HN 0.294 nan 8.370 nan 0.000 0.531 266 L N 0.941 122.016 121.223 -0.247 0.000 2.375 266 L HA 0.171 4.510 4.340 -0.001 0.000 0.271 266 L C 1.258 178.044 176.870 -0.141 0.000 1.107 266 L CA -0.551 54.167 54.840 -0.203 0.000 0.806 266 L CB 1.053 42.980 42.059 -0.221 0.000 1.146 266 L HN -0.054 nan 8.230 nan 0.000 0.447 267 T N -1.210 113.275 114.554 -0.115 0.000 2.813 267 T HA 0.165 4.514 4.350 -0.001 0.000 0.297 267 T C -1.900 172.750 174.700 -0.083 0.000 1.036 267 T CA -1.479 60.569 62.100 -0.086 0.000 1.044 267 T CB 0.982 69.808 68.868 -0.070 0.000 0.993 267 T HN 0.360 nan 8.240 nan 0.000 0.535 268 P HA -0.092 nan 4.420 nan 0.000 0.218 268 P C 1.442 178.705 177.300 -0.063 0.000 1.148 268 P CA 1.035 64.098 63.100 -0.061 0.000 0.822 268 P CB 0.081 31.752 31.700 -0.048 0.000 0.784 269 E N -0.171 119.992 120.200 -0.060 0.000 2.072 269 E HA -0.228 4.121 4.350 -0.001 0.000 0.191 269 E C 1.935 178.491 176.600 -0.073 0.000 0.985 269 E CA 1.048 57.413 56.400 -0.059 0.000 0.801 269 E CB -0.202 29.468 29.700 -0.051 0.000 0.750 269 E HN 0.271 nan 8.360 nan 0.000 0.452 270 Q N 0.082 119.831 119.800 -0.085 0.000 2.172 270 Q HA -0.098 4.241 4.340 -0.001 0.000 0.200 270 Q C 2.090 178.019 176.000 -0.119 0.000 0.964 270 Q CA 1.121 56.861 55.803 -0.105 0.000 0.855 270 Q CB 0.127 28.794 28.738 -0.119 0.000 0.918 270 Q HN 0.155 nan 8.270 nan 0.000 0.444 271 K N -0.024 120.309 120.400 -0.111 0.000 2.057 271 K HA -0.101 4.218 4.320 -0.001 0.000 0.206 271 K C 2.096 178.637 176.600 -0.098 0.000 1.050 271 K CA 1.242 57.462 56.287 -0.112 0.000 0.935 271 K CB -0.104 32.337 32.500 -0.098 0.000 0.715 271 K HN 0.018 nan 8.250 nan 0.000 0.439 272 V N 1.675 121.540 119.914 -0.082 0.000 2.287 272 V HA -0.288 3.831 4.120 -0.001 0.000 0.248 272 V C 2.424 178.470 176.094 -0.080 0.000 1.053 272 V CA 2.141 64.398 62.300 -0.072 0.000 1.027 272 V CB -0.742 31.046 31.823 -0.060 0.000 0.646 272 V HN 0.376 nan 8.190 nan 0.000 0.447 273 A N -0.053 122.715 122.820 -0.086 0.000 1.908 273 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 273 A C 2.405 179.918 177.584 -0.118 0.000 1.181 273 A CA 2.220 54.201 52.037 -0.094 0.000 0.627 273 A CB -0.850 18.093 19.000 -0.095 0.000 0.818 273 A HN 0.606 nan 8.150 nan 0.000 0.445 274 A N -0.391 122.346 122.820 -0.137 0.000 1.972 274 A HA 0.199 4.518 4.320 -0.001 0.000 0.219 274 A C 2.397 179.888 177.584 -0.155 0.000 1.169 274 A CA 1.875 53.808 52.037 -0.173 0.000 0.635 274 A CB -0.793 18.094 19.000 -0.188 0.000 0.810 274 A HN 1.053 nan 8.150 nan 0.000 0.446 275 A N -0.639 122.111 122.820 -0.117 0.000 2.014 275 A HA 0.355 4.674 4.320 -0.001 0.000 0.218 275 A C 1.960 179.497 177.584 -0.079 0.000 1.163 275 A CA 1.437 53.419 52.037 -0.093 0.000 0.652 275 A CB -0.470 18.485 19.000 -0.075 0.000 0.808 275 A HN 1.072 nan 8.150 nan 0.000 0.449 276 A N -0.919 121.853 122.820 -0.080 0.000 2.507 276 A HA 0.467 4.786 4.320 -0.001 0.000 0.270 276 A C 1.393 178.939 177.584 -0.064 0.000 1.318 276 A CA -0.068 51.932 52.037 -0.062 0.000 0.924 276 A CB -0.455 18.511 19.000 -0.057 0.000 1.061 276 A HN 0.387 nan 8.150 nan 0.000 0.516 277 L N -0.932 120.236 121.223 -0.091 0.000 2.081 277 L HA -0.153 4.186 4.340 -0.001 0.000 0.212 277 L C 1.891 178.763 176.870 0.002 0.000 1.080 277 L CA 1.754 56.530 54.840 -0.106 0.000 0.754 277 L CB -0.404 41.511 42.059 -0.240 0.000 0.893 277 L HN 0.393 nan 8.230 nan 0.000 0.433 278 L N -1.083 120.166 121.223 0.042 0.000 2.240 278 L HA 0.051 4.390 4.340 -0.001 0.000 0.211 278 L C 2.525 179.414 176.870 0.032 0.000 1.106 278 L CA 1.457 56.354 54.840 0.095 0.000 0.793 278 L CB -1.243 40.878 42.059 0.103 0.000 0.927 278 L HN 0.289 nan 8.230 nan 0.000 0.446 279 A N 0.618 123.435 122.820 -0.004 0.000 1.859 279 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 279 A C 0.106 177.663 177.584 -0.046 0.000 1.198 279 A CA 2.085 54.106 52.037 -0.028 0.000 0.629 279 A CB -1.997 16.981 19.000 -0.037 0.000 0.830 279 A HN 0.330 nan 8.150 nan 0.000 0.446 280 P HA -0.086 nan 4.420 nan 0.000 0.216 280 P C 1.696 178.928 177.300 -0.113 0.000 1.150 280 P CA 1.829 64.873 63.100 -0.093 0.000 0.837 280 P CB -0.132 31.519 31.700 -0.082 0.000 0.786 281 A N 0.148 122.940 122.820 -0.047 0.000 1.877 281 A HA -0.113 4.206 4.320 -0.001 0.000 0.216 281 A C 2.343 179.888 177.584 -0.065 0.000 1.186 281 A CA 2.154 54.169 52.037 -0.038 0.000 0.620 281 A CB -1.616 17.414 19.000 0.050 0.000 0.822 281 A HN 0.196 nan 8.150 nan 0.000 0.443 282 A N -0.286 122.505 122.820 -0.048 0.000 1.930 282 A HA 0.199 4.519 4.320 -0.001 0.000 0.217 282 A C 2.476 180.014 177.584 -0.077 0.000 1.175 282 A CA 1.971 53.975 52.037 -0.055 0.000 0.627 282 A CB -0.924 18.053 19.000 -0.039 0.000 0.815 282 A HN 1.023 nan 8.150 nan 0.000 0.443 283 A N -0.078 122.685 122.820 -0.095 0.000 1.902 283 A HA 0.177 4.496 4.320 -0.001 0.000 0.217 283 A C 2.497 179.990 177.584 -0.150 0.000 1.181 283 A CA 2.012 53.982 52.037 -0.112 0.000 0.623 283 A CB -0.980 17.948 19.000 -0.121 0.000 0.818 283 A HN 1.019 nan 8.150 nan 0.000 0.443 284 A N -0.145 122.543 122.820 -0.220 0.000 1.898 284 A HA -0.048 4.272 4.320 -0.001 0.000 0.216 284 A C 2.125 179.631 177.584 -0.131 0.000 1.181 284 A CA 1.455 53.318 52.037 -0.289 0.000 0.620 284 A CB -0.567 18.145 19.000 -0.480 0.000 0.819 284 A HN 0.496 nan 8.150 nan 0.000 0.442 285 I N -0.503 120.010 120.570 -0.095 0.000 2.142 285 I HA -0.210 3.959 4.170 -0.001 0.000 0.240 285 I C 2.345 178.433 176.117 -0.049 0.000 1.078 285 I CA 1.180 62.445 61.300 -0.057 0.000 1.343 285 I CB -0.368 37.594 38.000 -0.063 0.000 1.046 285 I HN 0.144 nan 8.210 nan 0.000 0.405 286 V N 1.007 120.886 119.914 -0.058 0.000 2.392 286 V HA -0.294 3.825 4.120 -0.001 0.000 0.249 286 V C 2.409 178.482 176.094 -0.035 0.000 1.059 286 V CA 2.126 64.398 62.300 -0.046 0.000 1.051 286 V CB -0.869 30.924 31.823 -0.049 0.000 0.658 286 V HN 0.537 nan 8.190 nan 0.000 0.455 287 A N -0.492 122.303 122.820 -0.043 0.000 2.195 287 A HA 0.425 4.744 4.320 -0.001 0.000 0.210 287 A C 1.498 179.082 177.584 0.000 0.000 1.165 287 A CA 0.728 52.750 52.037 -0.026 0.000 0.806 287 A CB -0.451 18.525 19.000 -0.041 0.000 0.847 287 A HN 0.515 nan 8.150 nan 0.000 0.482 288 G N 0.630 109.433 108.800 0.005 0.000 2.611 288 G HA2 0.426 4.385 3.960 -0.001 0.000 0.273 288 G HA3 0.426 4.385 3.960 -0.001 0.000 0.273 288 G C -2.268 172.658 174.900 0.043 0.000 1.305 288 G CA -0.991 44.135 45.100 0.043 0.000 1.010 288 G HN 0.224 nan 8.290 nan 0.000 0.509 289 P HA 0.221 nan 4.420 nan 0.000 0.269 289 P C -0.941 176.397 177.300 0.064 0.000 1.209 289 P CA 0.258 63.391 63.100 0.055 0.000 0.776 289 P CB 0.916 32.650 31.700 0.056 0.000 0.876 290 K N 1.540 121.982 120.400 0.069 0.000 2.469 290 K HA 0.440 4.759 4.320 -0.001 0.000 0.254 290 K C -0.271 176.402 176.600 0.122 0.000 0.939 290 K CA -0.744 55.602 56.287 0.099 0.000 0.812 290 K CB 2.615 35.157 32.500 0.069 0.000 1.301 290 K HN 0.544 nan 8.250 nan 0.000 0.433 291 Q N 0.399 120.328 119.800 0.215 0.000 2.534 291 Q HA 0.352 4.691 4.340 -0.001 0.000 0.290 291 Q C -1.039 175.155 176.000 0.324 0.000 0.991 291 Q CA -0.968 54.939 55.803 0.175 0.000 0.783 291 Q CB 1.167 29.930 28.738 0.043 0.000 1.470 291 Q HN 0.374 nan 8.270 nan 0.000 0.406 292 N N 0.226 119.008 118.700 0.137 0.000 2.376 292 N HA 0.283 5.022 4.740 -0.001 0.000 0.249 292 N C -1.386 173.997 175.510 -0.212 0.000 1.140 292 N CA 0.024 53.196 53.050 0.204 0.000 0.870 292 N CB -0.184 38.380 38.487 0.128 0.000 1.124 292 N HN 0.680 nan 8.380 nan 0.000 0.505 293 c N -2.338 115.719 118.600 -0.905 0.000 3.292 293 c HA 0.460 5.030 4.570 -0.001 0.000 0.338 293 c C -0.433 172.607 174.090 -1.751 0.000 1.323 293 c CA -1.466 54.042 56.329 -1.369 0.000 1.232 293 c CB 0.894 43.055 42.510 -0.583 0.000 1.517 293 c HN 0.381 nan 8.230 nan 0.000 0.470 294 E N 2.395 121.889 120.200 -1.176 0.000 2.259 294 E HA 0.527 4.876 4.350 -0.001 0.000 0.281 294 E C -2.165 174.229 176.600 -0.343 0.000 1.027 294 E CA -1.487 54.552 56.400 -0.602 0.000 0.838 294 E CB 1.224 30.808 29.700 -0.193 0.000 1.066 294 E HN 0.555 nan 8.360 nan 0.000 0.401 295 P HA -0.067 nan 4.420 nan 0.000 0.266 295 P C -0.775 176.451 177.300 -0.124 0.000 1.193 295 P CA 0.148 63.157 63.100 -0.152 0.000 0.770 295 P CB 0.457 32.097 31.700 -0.101 0.000 0.836 296 D N 1.710 122.047 120.400 -0.106 0.000 2.423 296 D HA 0.088 4.727 4.640 -0.001 0.000 0.238 296 D C 0.671 176.921 176.300 -0.084 0.000 1.142 296 D CA 0.203 54.150 54.000 -0.087 0.000 0.884 296 D CB 0.436 41.191 40.800 -0.074 0.000 1.199 296 D HN 0.246 nan 8.370 nan 0.000 0.438 297 L N 1.553 122.730 121.223 -0.076 0.000 2.397 297 L HA 0.199 4.538 4.340 -0.001 0.000 0.271 297 L C 1.068 177.848 176.870 -0.150 0.000 1.148 297 L CA -0.399 54.386 54.840 -0.092 0.000 0.825 297 L CB 0.429 42.466 42.059 -0.037 0.000 1.117 297 L HN 0.176 nan 8.230 nan 0.000 0.456 298 M N 3.000 122.439 119.600 -0.267 0.000 2.226 298 M HA 0.114 4.593 4.480 -0.001 0.000 0.324 298 M C -1.303 174.774 176.300 -0.371 0.000 1.112 298 M CA -1.372 53.733 55.300 -0.324 0.000 1.176 298 M CB 0.585 32.936 32.600 -0.416 0.000 1.430 298 M HN 0.321 nan 8.290 nan 0.000 0.462 299 P HA -0.245 nan 4.420 nan 0.000 0.217 299 P C 0.995 178.254 177.300 -0.067 0.000 1.158 299 P CA 1.879 64.923 63.100 -0.092 0.000 0.887 299 P CB -0.341 31.352 31.700 -0.012 0.000 0.792 300 Y N -1.501 118.783 120.300 -0.027 0.000 2.333 300 Y HA 0.052 4.601 4.550 -0.002 0.000 0.290 300 Y C 2.067 177.984 175.900 0.028 0.000 1.144 300 Y CA 0.857 58.943 58.100 -0.023 0.000 1.228 300 Y CB -1.653 36.742 38.460 -0.109 0.000 0.985 300 Y HN -0.121 nan 8.280 nan 0.000 0.542 301 A N 0.670 123.305 122.820 -0.309 0.000 2.169 301 A HA 0.157 4.476 4.320 -0.001 0.000 0.210 301 A C 2.162 179.841 177.584 0.159 0.000 1.168 301 A CA 0.009 51.992 52.037 -0.089 0.000 0.813 301 A CB -0.371 18.406 19.000 -0.371 0.000 0.861 301 A HN 0.422 nan 8.150 nan 0.000 0.481 302 R N 0.209 120.716 120.500 0.012 0.000 2.091 302 R HA -0.130 4.209 4.340 -0.001 0.000 0.238 302 R C -0.896 175.391 176.300 -0.021 0.000 1.136 302 R CA 1.876 57.978 56.100 0.004 0.000 0.959 302 R CB -1.457 28.818 30.300 -0.041 0.000 0.856 302 R HN 0.363 nan 8.270 nan 0.000 0.437 303 P HA -0.128 nan 4.420 nan 0.000 0.225 303 P C 0.345 177.406 177.300 -0.397 0.000 1.148 303 P CA 1.210 64.109 63.100 -0.335 0.000 0.779 303 P CB 0.020 31.387 31.700 -0.555 0.000 0.780 304 F N -1.461 118.536 119.950 0.079 0.000 2.765 304 F HA 0.346 4.872 4.527 -0.001 0.000 0.302 304 F C 1.488 177.349 175.800 0.101 0.000 1.111 304 F CA 0.076 58.138 58.000 0.103 0.000 1.359 304 F CB -0.180 38.921 39.000 0.168 0.000 1.097 304 F HN -0.140 nan 8.300 nan 0.000 0.577 305 A N -0.082 122.852 122.820 0.190 0.000 2.663 305 A HA 0.458 4.777 4.320 -0.001 0.000 0.273 305 A C -0.151 177.478 177.584 0.075 0.000 0.932 305 A CA -0.228 51.897 52.037 0.147 0.000 1.055 305 A CB -0.653 18.446 19.000 0.165 0.000 1.206 305 A HN -0.058 nan 8.150 nan 0.000 0.485 306 V N 0.562 120.501 119.914 0.042 0.000 2.617 306 V HA 0.359 4.478 4.120 -0.001 0.000 0.304 306 V C 1.686 177.794 176.094 0.024 0.000 1.040 306 V CA 2.101 64.409 62.300 0.014 0.000 1.149 306 V CB 0.439 32.257 31.823 -0.008 0.000 0.914 306 V HN 1.463 nan 8.190 nan 0.000 0.487 307 G N 3.940 112.750 108.800 0.016 0.000 2.284 307 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.230 307 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.230 307 G C 0.326 175.241 174.900 0.024 0.000 1.021 307 G CA -0.136 44.975 45.100 0.018 0.000 0.619 307 G HN 0.550 nan 8.290 nan 0.000 0.510 308 K N 0.722 121.141 120.400 0.033 0.000 2.219 308 K HA 0.476 4.795 4.320 -0.001 0.000 0.258 308 K C 0.448 177.058 176.600 0.016 0.000 1.008 308 K CA -0.451 55.858 56.287 0.036 0.000 0.928 308 K CB 0.921 33.453 32.500 0.054 0.000 0.983 308 K HN 0.487 nan 8.250 nan 0.000 0.484 309 R N 0.844 121.350 120.500 0.011 0.000 2.387 309 R HA 0.248 4.587 4.340 -0.001 0.000 0.314 309 R C -0.346 175.924 176.300 -0.049 0.000 0.958 309 R CA -0.192 55.898 56.100 -0.017 0.000 0.846 309 R CB 0.892 31.183 30.300 -0.014 0.000 1.147 309 R HN 0.880 nan 8.270 nan 0.000 0.447 310 T N -0.718 113.791 114.554 -0.075 0.000 2.841 310 T HA 0.203 4.552 4.350 -0.001 0.000 0.276 310 T C 1.377 175.985 174.700 -0.153 0.000 1.003 310 T CA -0.792 61.233 62.100 -0.126 0.000 0.995 310 T CB 0.921 69.731 68.868 -0.098 0.000 1.260 310 T HN 0.664 nan 8.240 nan 0.000 0.581 311 c N 0.678 119.164 118.600 -0.190 0.000 2.403 311 c HA -0.031 4.538 4.570 -0.001 0.000 0.279 311 c C 2.989 177.012 174.090 -0.112 0.000 1.269 311 c CA 1.260 57.484 56.329 -0.175 0.000 1.774 311 c CB -1.634 40.769 42.510 -0.178 0.000 1.993 311 c HN 0.919 nan 8.230 nan 0.000 0.496 312 S N -0.869 114.777 115.700 -0.089 0.000 2.548 312 S HA 0.423 4.892 4.470 -0.001 0.000 0.215 312 S C 0.913 175.481 174.600 -0.053 0.000 0.976 312 S CA 0.765 58.927 58.200 -0.063 0.000 0.908 312 S CB 0.162 63.330 63.200 -0.054 0.000 0.781 312 S HN 0.915 nan 8.310 nan 0.000 0.519 313 G N 1.175 109.941 108.800 -0.057 0.000 2.270 313 G HA2 0.004 3.963 3.960 -0.001 0.000 0.268 313 G HA3 0.004 3.963 3.960 -0.001 0.000 0.268 313 G C -1.323 173.556 174.900 -0.035 0.000 1.312 313 G CA -1.068 44.007 45.100 -0.042 0.000 1.050 313 G HN 0.067 nan 8.290 nan 0.000 0.474 314 I N 1.448 122.004 120.570 -0.024 0.000 2.496 314 I HA 0.294 4.463 4.170 -0.001 0.000 0.285 314 I C 1.254 177.362 176.117 -0.016 0.000 1.080 314 I CA -0.183 61.108 61.300 -0.015 0.000 1.404 314 I CB 0.893 38.888 38.000 -0.009 0.000 1.403 314 I HN 0.342 nan 8.210 nan 0.000 0.539 315 V N 6.649 126.557 119.914 -0.010 0.000 2.715 315 V HA 0.313 4.432 4.120 -0.001 0.000 0.299 315 V C 0.581 176.668 176.094 -0.012 0.000 1.054 315 V CA -0.045 62.249 62.300 -0.011 0.000 1.077 315 V CB 1.075 32.900 31.823 0.003 0.000 0.972 315 V HN 1.001 nan 8.190 nan 0.000 0.484 316 T N 2.663 117.204 114.554 -0.021 0.000 2.868 316 T HA 0.626 4.975 4.350 -0.001 0.000 0.306 316 T C -2.823 171.855 174.700 -0.037 0.000 1.224 316 T CA -1.607 60.478 62.100 -0.026 0.000 1.012 316 T CB 1.778 70.631 68.868 -0.024 0.000 1.221 316 T HN 0.407 nan 8.240 nan 0.000 0.499 317 P HA 0.000 nan 4.420 nan 0.000 0.216 317 P CA 0.000 63.063 63.100 -0.061 0.000 0.800 317 P CB 0.000 31.657 31.700 -0.071 0.000 0.726