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 1a5i_1_A DATA FIRST_RESID 1 DATA SEQUENCE cGLRKYKEPQ LHXXXSTGGL FTDITSHPWQ AAIFAQGERF LcGGILISSc DATA SEQUENCE WVLTAAHcFL PDQLKVVLGR TYRVKPGEEE QTFKVKKYIV HKEFDDDTYN DATA SEQUENCE NDIALLQLKQ cAQESDSVRA IcLPEANLQL PDWTEcELSG YGKHKSSSPF DATA SEQUENCE YSEQLKEGHV RLYPSSRcKF LFNKTVTNNM LcAGDNVHDA cQGDSGGPLV DATA SEQUENCE cMNDNHMTLL GIISWGVXGc EKDVPGVYTK VTNYLGWIRD NMHL 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 c HA 0.000 nan 4.570 nan 0.000 0.325 1 c C 0.000 174.208 174.090 0.197 0.000 1.270 1 c CA 0.000 56.408 56.329 0.132 0.000 1.963 1 c CB 0.000 42.540 42.510 0.051 0.000 2.134 2 G N 0.248 109.119 108.800 0.118 0.000 2.162 2 G HA2 -0.437 nan 3.960 nan 0.000 0.260 2 G HA3 -0.437 nan 3.960 nan 0.000 0.260 2 G C -1.280 173.696 174.900 0.126 0.000 0.976 2 G CA 0.650 45.767 45.100 0.028 0.000 0.655 2 G HN 0.209 8.572 8.290 0.121 0.000 0.533 3 L N -0.837 120.512 121.223 0.210 0.000 2.375 3 L HA 0.209 nan 4.340 nan 0.000 0.268 3 L C -1.148 175.870 176.870 0.248 0.000 1.058 3 L CA -0.964 53.962 54.840 0.144 0.000 0.803 3 L CB 1.080 43.189 42.059 0.083 0.000 1.212 3 L HN -0.856 7.470 8.230 0.245 0.051 0.451 4 R N -2.027 118.567 120.500 0.157 0.000 2.728 4 R HA 0.173 nan 4.340 nan 0.000 0.259 4 R C -1.079 175.268 176.300 0.078 0.000 1.057 4 R CA -0.639 55.528 56.100 0.112 0.000 0.908 4 R CB 1.993 32.367 30.300 0.122 0.000 1.259 4 R HN 0.121 8.452 8.270 0.101 0.000 0.472 5 K N 3.995 124.419 120.400 0.040 0.000 2.184 5 K HA 0.054 nan 4.320 nan 0.000 0.259 5 K C -1.161 175.469 176.600 0.051 0.000 1.119 5 K CA -0.908 55.406 56.287 0.044 0.000 0.991 5 K CB -0.637 31.873 32.500 0.016 0.000 1.522 5 K HN 0.412 8.667 8.250 0.007 0.000 0.405 6 Y N 3.589 123.870 120.300 -0.033 0.000 2.632 6 Y HA -0.287 nan 4.550 nan 0.000 0.329 6 Y C -0.388 175.504 175.900 -0.013 0.000 1.174 6 Y CA 1.227 59.306 58.100 -0.035 0.000 1.469 6 Y CB 0.462 38.912 38.460 -0.017 0.000 1.242 6 Y HN -0.316 8.092 8.280 0.213 0.000 0.540 7 K N 7.988 128.074 120.400 -0.524 0.000 2.259 7 K HA 0.245 nan 4.320 nan 0.000 0.249 7 K C -1.287 174.990 176.600 -0.537 0.000 0.942 7 K CA -1.846 54.228 56.287 -0.354 0.000 0.816 7 K CB 2.415 34.785 32.500 -0.217 0.000 1.155 7 K HN 0.099 7.927 8.250 -0.703 0.000 0.428 8 E N 3.451 123.523 120.200 -0.213 0.000 2.265 8 E HA 0.025 nan 4.350 nan 0.000 0.272 8 E C -1.452 175.105 176.600 -0.070 0.000 1.067 8 E CA -1.649 54.694 56.400 -0.094 0.000 0.900 8 E CB -0.448 29.269 29.700 0.029 0.000 1.017 8 E HN 0.098 8.392 8.360 -0.110 0.000 0.431 9 P HA -0.047 nan 4.420 nan 0.000 0.266 9 P C -1.797 175.537 177.300 0.056 0.000 1.195 9 P CA 0.038 63.149 63.100 0.018 0.000 0.768 9 P CB 0.671 32.419 31.700 0.080 0.000 0.838 10 Q N 2.407 122.251 119.800 0.074 0.000 2.294 10 Q HA 0.199 nan 4.340 nan 0.000 0.257 10 Q C -1.005 175.045 176.000 0.085 0.000 0.955 10 Q CA -0.864 54.998 55.803 0.098 0.000 0.936 10 Q CB 0.642 29.464 28.738 0.141 0.000 1.188 10 Q HN 0.313 8.632 8.270 0.083 0.000 0.420 11 L N 6.185 127.455 121.223 0.078 0.000 2.466 11 L HA 0.426 nan 4.340 nan 0.000 0.257 11 L C -1.055 175.881 176.870 0.110 0.000 1.189 11 L CA -0.110 54.767 54.840 0.060 0.000 0.813 11 L CB 1.392 43.485 42.059 0.056 0.000 1.118 11 L HN 0.337 8.615 8.230 0.080 0.000 0.471 17 T N 0.921 115.089 114.554 -0.643 0.000 3.098 17 T HA -0.034 nan 4.350 nan 0.000 0.266 17 T C 0.745 175.233 174.700 -0.352 0.000 1.145 17 T CA 0.233 62.081 62.100 -0.419 0.000 1.092 17 T CB -0.418 68.241 68.868 -0.349 0.000 0.908 17 T HN -0.241 7.384 8.240 -1.025 0.000 0.526 18 G N 0.997 109.549 108.800 -0.413 0.000 2.157 18 G HA2 -0.339 nan 3.960 nan 0.000 0.248 18 G HA3 -0.339 nan 3.960 nan 0.000 0.248 18 G C -0.714 174.107 174.900 -0.131 0.000 0.979 18 G CA 0.146 45.138 45.100 -0.180 0.000 0.650 18 G HN 0.226 7.967 8.290 -0.565 0.210 0.529 19 G N -2.524 106.059 108.800 -0.362 0.000 2.537 19 G HA2 0.772 nan 3.960 nan 0.000 0.297 19 G HA3 0.772 nan 3.960 nan 0.000 0.297 19 G C -2.482 172.273 174.900 -0.242 0.000 1.310 19 G CA -1.765 43.090 45.100 -0.408 0.000 1.027 19 G HN -0.727 7.102 8.290 -0.661 0.064 0.505 20 L N -2.185 118.794 121.223 -0.406 0.000 2.381 20 L HA 0.708 nan 4.340 nan 0.000 0.268 20 L C -1.238 175.421 176.870 -0.351 0.000 0.997 20 L CA -0.958 53.711 54.840 -0.285 0.000 0.818 20 L CB 3.381 45.361 42.059 -0.131 0.000 1.310 20 L HN -0.110 7.785 8.230 -0.558 0.000 0.416 21 F N 3.032 122.909 119.950 -0.122 0.000 2.469 21 F HA 0.738 nan 4.527 nan 0.000 0.332 21 F C -1.488 174.235 175.800 -0.128 0.000 1.103 21 F CA -2.205 55.698 58.000 -0.163 0.000 0.979 21 F CB 3.113 42.014 39.000 -0.165 0.000 1.137 21 F HN 0.757 9.029 8.300 -0.047 0.000 0.463 22 T N 3.830 118.419 114.554 0.057 0.000 2.843 22 T HA 0.238 nan 4.350 nan 0.000 0.302 22 T C -2.800 171.841 174.700 -0.099 0.000 1.232 22 T CA -1.321 60.762 62.100 -0.030 0.000 1.009 22 T CB 2.909 71.773 68.868 -0.006 0.000 1.254 22 T HN 0.217 8.484 8.240 0.044 0.000 0.504 23 D N 0.652 120.985 120.400 -0.112 0.000 2.341 23 D HA 0.143 nan 4.640 nan 0.000 0.245 23 D C 1.409 177.646 176.300 -0.105 0.000 1.106 23 D CA -0.178 53.744 54.000 -0.129 0.000 0.905 23 D CB 1.524 42.255 40.800 -0.114 0.000 1.202 23 D HN 0.166 8.467 8.370 -0.114 0.000 0.426 24 I N 4.469 124.977 120.570 -0.103 0.000 2.530 24 I HA -0.334 nan 4.170 nan 0.000 0.257 24 I C 1.335 177.373 176.117 -0.132 0.000 1.179 24 I CA 1.732 62.979 61.300 -0.088 0.000 1.440 24 I CB 0.335 38.312 38.000 -0.039 0.000 1.087 24 I HN -0.063 8.079 8.210 -0.113 0.000 0.440 25 T N -1.052 113.428 114.554 -0.122 0.000 2.803 25 T HA -0.350 nan 4.350 nan 0.000 0.269 25 T C 2.199 176.770 174.700 -0.216 0.000 1.052 25 T CA 3.702 65.719 62.100 -0.139 0.000 1.136 25 T CB -0.928 67.885 68.868 -0.092 0.000 0.864 25 T HN 0.001 8.489 8.240 -0.103 -0.310 0.467 26 S N 0.394 115.948 115.700 -0.243 0.000 2.555 26 S HA -0.181 nan 4.470 nan 0.000 0.230 26 S C -0.583 173.478 174.600 -0.898 0.000 0.978 26 S CA 2.091 60.068 58.200 -0.373 0.000 0.934 26 S CB 0.531 63.534 63.200 -0.329 0.000 0.766 26 S HN -0.533 7.652 8.310 -0.183 0.015 0.533 27 H N -1.486 117.272 119.070 -0.520 0.000 2.806 27 H HA 0.401 nan 4.556 nan 0.000 0.218 27 H C -2.344 172.323 175.328 -1.101 0.000 1.392 27 H CA -2.287 53.137 56.048 -1.039 0.000 1.358 27 H CB -0.207 29.236 29.762 -0.532 0.000 1.944 27 H HN -0.112 7.737 8.280 -0.392 0.196 0.530 28 P HA -0.144 nan 4.420 nan 0.000 0.223 28 P C 0.328 177.498 177.300 -0.216 0.000 1.144 28 P CA 2.291 65.138 63.100 -0.423 0.000 0.783 28 P CB -0.189 31.377 31.700 -0.223 0.000 0.771 29 W N -6.042 115.320 121.300 0.104 0.000 3.003 29 W HA 0.161 nan 4.660 nan 0.000 0.257 29 W C -0.781 175.798 176.519 0.101 0.000 1.308 29 W CA -2.179 55.223 57.345 0.095 0.000 1.529 29 W CB -1.276 28.238 29.460 0.091 0.000 1.115 29 W HN -0.489 6.662 8.180 -1.605 0.066 0.659 30 Q N 2.207 121.991 119.800 -0.026 0.000 2.337 30 Q HA 0.033 nan 4.340 nan 0.000 0.270 30 Q C -1.783 174.295 176.000 0.130 0.000 1.002 30 Q CA 0.301 56.143 55.803 0.064 0.000 0.888 30 Q CB 0.604 29.306 28.738 -0.059 0.000 1.222 30 Q HN -0.367 7.542 8.270 -0.330 0.164 0.400 31 A N 4.094 127.014 122.820 0.166 0.000 2.413 31 A HA 0.889 nan 4.320 nan 0.000 0.307 31 A C -2.408 175.293 177.584 0.194 0.000 1.087 31 A CA -2.171 49.971 52.037 0.174 0.000 0.750 31 A CB 3.839 22.912 19.000 0.122 0.000 1.296 31 A HN 0.797 8.968 8.150 0.152 0.070 0.423 32 A N 1.391 124.307 122.820 0.161 0.000 2.291 32 A HA 0.794 nan 4.320 nan 0.000 0.311 32 A C -2.052 175.417 177.584 -0.191 0.000 1.224 32 A CA -1.803 50.226 52.037 -0.013 0.000 0.821 32 A CB 1.424 20.443 19.000 0.032 0.000 1.172 32 A HN 0.703 8.961 8.150 0.181 0.000 0.494 33 I N 3.520 123.793 120.570 -0.495 0.000 2.359 33 I HA 0.687 nan 4.170 nan 0.000 0.294 33 I C -1.634 174.071 176.117 -0.686 0.000 0.987 33 I CA -0.645 60.427 61.300 -0.379 0.000 1.225 33 I CB 1.258 39.087 38.000 -0.285 0.000 1.366 33 I HN 0.408 8.217 8.210 -0.668 0.000 0.466 34 F N 6.022 125.885 119.950 -0.145 0.000 2.561 34 F HA 0.777 nan 4.527 nan 0.000 0.321 34 F C -1.773 173.994 175.800 -0.055 0.000 1.065 34 F CA -1.974 55.962 58.000 -0.108 0.000 0.934 34 F CB 4.188 43.160 39.000 -0.047 0.000 1.215 34 F HN 0.929 9.219 8.300 0.164 0.109 0.471 35 A N -0.494 122.423 122.820 0.161 0.000 2.386 35 A HA 0.596 nan 4.320 nan 0.000 0.308 35 A C -2.813 174.834 177.584 0.105 0.000 1.128 35 A CA -1.877 50.220 52.037 0.100 0.000 0.789 35 A CB 3.101 22.141 19.000 0.065 0.000 1.325 35 A HN 0.142 8.405 8.150 0.189 0.000 0.437 36 Q N -0.472 119.370 119.800 0.070 0.000 2.418 36 Q HA 0.301 nan 4.340 nan 0.000 0.282 36 Q C 0.279 176.305 176.000 0.045 0.000 1.044 36 Q CA -1.139 54.696 55.803 0.054 0.000 0.813 36 Q CB 3.900 32.661 28.738 0.037 0.000 1.428 36 Q HN 0.240 8.546 8.270 0.060 0.000 0.402 37 G N 1.369 110.175 108.800 0.009 0.000 2.830 37 G HA2 -0.367 nan 3.960 nan 0.000 1.008 37 G HA3 -0.367 nan 3.960 nan 0.000 1.008 37 G C -0.537 174.379 174.900 0.027 0.000 1.339 37 G CA 0.595 45.705 45.100 0.016 0.000 0.940 37 G HN 0.211 8.501 8.290 0.001 0.000 0.523 38 E N 1.033 121.258 120.200 0.043 0.000 2.260 38 E HA 0.180 nan 4.350 nan 0.000 0.266 38 E C -1.586 175.136 176.600 0.202 0.000 0.887 38 E CA -0.631 55.817 56.400 0.080 0.000 0.777 38 E CB 1.530 31.210 29.700 -0.032 0.000 1.205 38 E HN -0.006 8.379 8.360 0.042 0.000 0.414 39 R N 4.159 124.806 120.500 0.244 0.000 2.368 39 R HA 0.347 nan 4.340 nan 0.000 0.302 39 R C -1.072 175.430 176.300 0.338 0.000 1.002 39 R CA -1.000 55.272 56.100 0.287 0.000 0.929 39 R CB 1.408 31.818 30.300 0.183 0.000 1.073 39 R HN -0.114 8.271 8.270 0.192 0.000 0.464 40 F N 2.913 122.959 119.950 0.160 0.000 2.504 40 F HA -0.104 nan 4.527 nan 0.000 0.369 40 F C -1.133 174.516 175.800 -0.250 0.000 1.082 40 F CA 1.022 58.863 58.000 -0.265 0.000 1.216 40 F CB 0.354 39.199 39.000 -0.259 0.000 1.108 40 F HN 0.177 8.771 8.300 0.490 0.000 0.554 41 L N 7.162 127.839 121.223 -0.910 0.000 2.349 41 L HA 0.107 nan 4.340 nan 0.000 0.200 41 L C -1.418 175.015 176.870 -0.728 0.000 1.064 41 L CA 0.646 55.140 54.840 -0.577 0.000 0.821 41 L CB 2.279 44.114 42.059 -0.373 0.000 1.027 41 L HN 0.527 7.955 8.230 -1.336 0.000 0.476 42 c N -5.827 112.104 118.600 -1.116 0.000 3.253 42 c HA 0.241 nan 4.570 nan 0.000 0.361 42 c C -1.758 171.924 174.090 -0.680 0.000 1.498 42 c CA -0.699 55.185 56.329 -0.742 0.000 1.163 42 c CB 3.966 46.162 42.510 -0.523 0.000 1.687 42 c HN -0.670 6.690 8.230 -1.450 0.000 0.430 43 G N -0.797 107.852 108.800 -0.252 0.000 2.552 43 G HA2 0.749 nan 3.960 nan 0.000 0.324 43 G HA3 0.749 nan 3.960 nan 0.000 0.324 43 G C -2.465 172.385 174.900 -0.082 0.000 1.217 43 G CA -1.465 43.606 45.100 -0.047 0.000 0.989 43 G HN 0.267 8.427 8.290 -0.217 0.000 0.490 44 G N -3.361 105.446 108.800 0.011 0.000 2.692 44 G HA2 0.806 nan 3.960 nan 0.000 0.291 44 G HA3 0.806 nan 3.960 nan 0.000 0.291 44 G C -2.500 172.461 174.900 0.102 0.000 1.423 44 G CA -0.537 44.578 45.100 0.025 0.000 0.843 44 G HN 0.035 8.292 8.290 0.073 0.077 0.486 45 I N -0.777 119.865 120.570 0.121 0.000 2.406 45 I HA 0.435 nan 4.170 nan 0.000 0.290 45 I C -1.534 174.691 176.117 0.179 0.000 0.999 45 I CA -1.158 60.256 61.300 0.189 0.000 1.124 45 I CB 2.986 41.092 38.000 0.177 0.000 1.289 45 I HN 0.660 8.927 8.210 0.094 0.000 0.441 46 L N 7.825 129.174 121.223 0.210 0.000 2.342 46 L HA 0.284 nan 4.340 nan 0.000 0.285 46 L C -0.749 176.224 176.870 0.173 0.000 1.095 46 L CA 0.074 55.017 54.840 0.171 0.000 0.843 46 L CB 0.191 42.343 42.059 0.154 0.000 1.201 46 L HN 0.577 8.856 8.230 0.264 0.109 0.445 47 I N 1.933 122.596 120.570 0.154 0.000 3.030 47 I HA 0.133 nan 4.170 nan 0.000 0.270 47 I C -0.384 175.793 176.117 0.099 0.000 1.211 47 I CA 0.964 62.333 61.300 0.115 0.000 1.479 47 I CB 0.539 38.600 38.000 0.102 0.000 1.105 47 I HN -0.237 8.078 8.210 0.175 0.000 0.447 48 S N -0.032 115.745 115.700 0.129 0.000 2.567 48 S HA 0.148 nan 4.470 nan 0.000 0.270 48 S C 0.850 175.520 174.600 0.116 0.000 1.152 48 S CA -0.613 57.654 58.200 0.111 0.000 0.835 48 S CB 2.586 65.840 63.200 0.090 0.000 1.115 48 S HN -0.691 7.716 8.310 0.163 0.000 0.459 49 S N 3.646 119.392 115.700 0.076 0.000 2.432 49 S HA -0.283 nan 4.470 nan 0.000 0.243 49 S C 0.417 174.979 174.600 -0.063 0.000 1.069 49 S CA 3.005 61.212 58.200 0.011 0.000 1.047 49 S CB 0.119 63.335 63.200 0.027 0.000 0.854 49 S HN 0.472 8.827 8.310 0.075 0.000 0.474 50 c N -1.475 117.155 118.600 0.050 0.000 3.098 50 c HA 0.413 nan 4.570 nan 0.000 0.265 50 c C -1.535 172.444 174.090 -0.185 0.000 1.572 50 c CA -1.594 54.678 56.329 -0.095 0.000 1.788 50 c CB -0.225 42.242 42.510 -0.072 0.000 2.982 50 c HN -0.269 8.049 8.230 0.207 0.036 0.532 51 W N -1.018 120.238 121.300 -0.074 0.000 3.022 51 W HA 0.398 nan 4.660 nan 0.000 0.335 51 W C -2.113 174.403 176.519 -0.005 0.000 1.133 51 W CA -0.703 56.622 57.345 -0.034 0.000 1.219 51 W CB 3.464 32.912 29.460 -0.020 0.000 1.409 51 W HN 0.236 8.438 8.180 0.214 0.106 0.507 52 V N 1.938 121.993 119.914 0.236 0.000 2.686 52 V HA 0.675 nan 4.120 nan 0.000 0.306 52 V C -1.904 174.317 176.094 0.211 0.000 1.065 52 V CA -1.201 61.203 62.300 0.173 0.000 0.894 52 V CB 3.371 35.247 31.823 0.089 0.000 1.004 52 V HN 0.426 8.751 8.190 0.224 0.000 0.424 53 L N 6.578 127.911 121.223 0.183 0.000 2.379 53 L HA 0.727 nan 4.340 nan 0.000 0.269 53 L C -1.146 175.773 176.870 0.081 0.000 1.084 53 L CA -0.426 54.514 54.840 0.167 0.000 0.802 53 L CB 1.965 44.110 42.059 0.144 0.000 1.175 53 L HN 0.941 9.169 8.230 0.165 0.101 0.448 54 T N -0.574 113.995 114.554 0.024 0.000 2.653 54 T HA 0.425 nan 4.350 nan 0.000 0.306 54 T C -2.285 172.283 174.700 -0.220 0.000 1.426 54 T CA -0.418 61.616 62.100 -0.109 0.000 1.008 54 T CB 3.587 72.362 68.868 -0.155 0.000 1.692 54 T HN 0.690 8.962 8.240 0.055 0.000 0.483 55 A N -0.686 121.893 122.820 -0.401 0.000 2.301 55 A HA 0.659 nan 4.320 nan 0.000 0.312 55 A C 0.369 177.554 177.584 -0.664 0.000 1.182 55 A CA -2.177 49.541 52.037 -0.533 0.000 0.826 55 A CB 0.996 19.581 19.000 -0.692 0.000 1.134 55 A HN 0.446 8.323 8.150 -0.455 0.000 0.501 56 A N 6.047 128.479 122.820 -0.647 0.000 1.917 56 A HA -0.326 nan 4.320 nan 0.000 0.219 56 A C 1.443 178.650 177.584 -0.628 0.000 1.182 56 A CA 3.203 54.854 52.037 -0.645 0.000 0.633 56 A CB -0.624 17.760 19.000 -1.026 0.000 0.819 56 A HN 0.639 8.457 8.150 -0.618 -0.038 0.448 57 H N -5.078 113.592 119.070 -0.668 0.000 2.567 57 H HA -0.134 nan 4.556 nan 0.000 0.276 57 H C 1.524 176.730 175.328 -0.204 0.000 1.016 57 H CA 1.869 57.821 56.048 -0.161 0.000 1.186 57 H CB -0.888 29.009 29.762 0.225 0.000 1.351 57 H HN -0.422 7.638 8.280 -0.817 -0.271 0.605 58 c N -0.486 117.703 118.600 -0.686 0.000 2.481 58 c HA -0.161 nan 4.570 nan 0.000 0.275 58 c C -0.081 173.631 174.090 -0.629 0.000 1.419 58 c CA 2.039 57.929 56.329 -0.732 0.000 1.773 58 c CB -1.539 40.305 42.510 -1.111 0.000 1.862 58 c HN -0.330 7.175 8.230 -0.911 0.178 0.530 59 F N -1.757 118.141 119.950 -0.087 0.000 2.518 59 F HA 0.259 nan 4.527 nan 0.000 0.338 59 F C -0.485 175.352 175.800 0.061 0.000 1.065 59 F CA -2.189 55.775 58.000 -0.060 0.000 1.012 59 F CB 1.591 40.517 39.000 -0.124 0.000 1.297 59 F HN -0.449 7.525 8.300 -0.468 0.046 0.489 60 L N 0.258 121.547 121.223 0.110 0.000 2.312 60 L HA 0.494 nan 4.340 nan 0.000 0.281 60 L C -1.046 175.872 176.870 0.080 0.000 1.070 60 L CA -2.322 52.564 54.840 0.077 0.000 0.805 60 L CB 0.112 42.189 42.059 0.030 0.000 1.174 60 L HN 0.160 8.754 8.230 0.078 -0.318 0.434 61 P HA -0.439 nan 4.420 nan 0.000 0.222 61 P C -0.389 176.928 177.300 0.028 0.000 1.154 61 P CA 2.982 66.114 63.100 0.054 0.000 0.874 61 P CB 0.064 31.761 31.700 -0.006 0.000 0.787 62 D N -3.796 116.614 120.400 0.018 0.000 2.219 62 D HA -0.222 nan 4.640 nan 0.000 0.205 62 D C 1.641 177.953 176.300 0.019 0.000 0.970 62 D CA 2.574 56.582 54.000 0.012 0.000 0.851 62 D CB -0.441 40.363 40.800 0.006 0.000 0.943 62 D HN -0.063 8.278 8.370 0.015 0.038 0.488 63 Q N -1.363 118.453 119.800 0.027 0.000 2.049 63 Q HA -0.219 nan 4.340 nan 0.000 0.198 63 Q C 0.782 176.805 176.000 0.037 0.000 0.971 63 Q CA 1.569 57.391 55.803 0.032 0.000 0.833 63 Q CB 0.729 29.489 28.738 0.037 0.000 0.896 63 Q HN -0.016 8.146 8.270 0.031 0.127 0.434 64 L N -1.311 119.929 121.223 0.027 0.000 2.455 64 L HA -0.048 nan 4.340 nan 0.000 0.272 64 L C -1.312 175.590 176.870 0.053 0.000 1.174 64 L CA 0.389 55.245 54.840 0.027 0.000 0.869 64 L CB -0.015 42.024 42.059 -0.034 0.000 1.130 64 L HN -0.818 7.426 8.230 0.023 0.000 0.474 65 K N 2.985 123.442 120.400 0.096 0.000 2.422 65 K HA 0.648 nan 4.320 nan 0.000 0.251 65 K C -2.217 174.488 176.600 0.175 0.000 0.933 65 K CA -1.213 55.144 56.287 0.117 0.000 0.798 65 K CB 4.049 36.606 32.500 0.096 0.000 1.238 65 K HN 0.740 8.958 8.250 0.121 0.105 0.428 66 V N 5.255 125.277 119.914 0.180 0.000 2.483 66 V HA 0.747 nan 4.120 nan 0.000 0.297 66 V C -2.050 174.201 176.094 0.261 0.000 1.027 66 V CA -0.851 61.569 62.300 0.201 0.000 0.855 66 V CB 2.157 34.079 31.823 0.164 0.000 0.995 66 V HN -0.045 8.247 8.190 0.171 0.000 0.424 67 V N 7.783 127.853 119.914 0.261 0.000 2.581 67 V HA 1.020 nan 4.120 nan 0.000 0.303 67 V C -2.589 173.646 176.094 0.234 0.000 1.041 67 V CA -2.898 59.544 62.300 0.236 0.000 0.907 67 V CB 2.869 34.807 31.823 0.192 0.000 0.994 67 V HN 0.612 8.966 8.190 0.273 0.000 0.442 68 L N 5.127 126.491 121.223 0.235 0.000 2.350 68 L HA 0.721 nan 4.340 nan 0.000 0.260 68 L C -0.091 176.878 176.870 0.164 0.000 1.015 68 L CA -1.276 53.685 54.840 0.202 0.000 0.821 68 L CB 3.154 45.339 42.059 0.209 0.000 1.370 68 L HN 0.760 9.031 8.230 0.247 0.107 0.416 69 G N -1.115 107.761 108.800 0.127 0.000 2.182 69 G HA2 -0.464 nan 3.960 nan 0.000 0.248 69 G HA3 -0.464 nan 3.960 nan 0.000 0.248 69 G C -2.072 172.883 174.900 0.091 0.000 1.042 69 G CA 0.443 45.597 45.100 0.090 0.000 0.775 69 G HN 0.529 8.891 8.290 0.120 0.000 0.501 70 R N -1.908 118.669 120.500 0.129 0.000 2.480 70 R HA 0.381 nan 4.340 nan 0.000 0.306 70 R C -0.361 176.036 176.300 0.162 0.000 0.958 70 R CA -1.884 54.294 56.100 0.130 0.000 0.861 70 R CB 2.215 32.589 30.300 0.123 0.000 1.171 70 R HN -0.290 8.080 8.270 0.167 0.000 0.445 71 T N 7.631 122.211 114.554 0.043 0.000 2.852 71 T HA 0.021 nan 4.350 nan 0.000 0.256 71 T C -0.445 174.170 174.700 -0.141 0.000 1.038 71 T CA 3.150 65.171 62.100 -0.132 0.000 1.141 71 T CB 0.298 68.894 68.868 -0.452 0.000 0.869 71 T HN 0.506 8.770 8.240 0.039 0.000 0.439 72 Y N -0.836 119.526 120.300 0.102 0.000 2.383 72 Y HA 0.153 nan 4.550 nan 0.000 0.344 72 Y C 0.582 176.470 175.900 -0.020 0.000 0.986 72 Y CA -1.630 56.493 58.100 0.038 0.000 1.175 72 Y CB -0.174 38.270 38.460 -0.027 0.000 1.152 72 Y HN -0.608 7.710 8.280 0.063 0.000 0.511 73 R N 5.650 126.172 120.500 0.036 0.000 2.159 73 R HA -0.453 nan 4.340 nan 0.000 0.252 73 R C 0.814 177.092 176.300 -0.037 0.000 1.144 73 R CA 3.685 59.609 56.100 -0.295 0.000 0.961 73 R CB -0.130 29.997 30.300 -0.288 0.000 0.877 73 R HN 0.101 8.471 8.270 0.167 0.000 0.444 74 V N -5.892 114.048 119.914 0.043 0.000 3.645 74 V HA 0.083 nan 4.120 nan 0.000 0.275 74 V C 0.191 176.289 176.094 0.006 0.000 1.356 74 V CA -0.108 62.218 62.300 0.044 0.000 1.051 74 V CB -0.025 31.828 31.823 0.050 0.000 0.828 74 V HN -0.285 7.923 8.190 0.061 0.019 0.441 75 K N 0.809 121.233 120.400 0.040 0.000 2.144 75 K HA 0.209 nan 4.320 nan 0.000 0.270 75 K C -2.692 173.927 176.600 0.030 0.000 1.005 75 K CA -2.131 54.159 56.287 0.005 0.000 0.932 75 K CB -0.031 32.442 32.500 -0.045 0.000 1.021 75 K HN -0.688 7.626 8.250 0.107 0.000 0.462 76 P HA -0.061 nan 4.420 nan 0.000 0.276 76 P C -1.036 176.288 177.300 0.040 0.000 1.235 76 P CA -0.277 62.824 63.100 0.001 0.000 0.772 76 P CB 0.456 32.140 31.700 -0.026 0.000 0.871 77 G N 3.886 112.719 108.800 0.056 0.000 2.467 77 G HA2 -0.016 nan 3.960 nan 0.000 0.257 77 G HA3 -0.016 nan 3.960 nan 0.000 0.257 77 G C 0.954 175.882 174.900 0.046 0.000 1.227 77 G CA -1.102 44.042 45.100 0.073 0.000 0.835 77 G HN -0.190 8.419 8.290 0.047 -0.291 0.556 78 E N 3.340 123.569 120.200 0.048 0.000 2.085 78 E HA -0.270 nan 4.350 nan 0.000 0.194 78 E C 0.922 177.537 176.600 0.026 0.000 0.994 78 E CA 2.982 59.401 56.400 0.031 0.000 0.801 78 E CB 0.172 29.890 29.700 0.031 0.000 0.743 78 E HN 0.550 8.949 8.360 0.064 0.000 0.453 79 E N -2.744 117.476 120.200 0.033 0.000 2.609 79 E HA 0.234 nan 4.350 nan 0.000 0.208 79 E C -1.477 175.151 176.600 0.048 0.000 1.013 79 E CA -1.155 55.267 56.400 0.035 0.000 1.093 79 E CB -0.122 29.599 29.700 0.036 0.000 1.129 79 E HN 0.216 8.599 8.360 0.038 0.000 0.450 80 E N -0.644 119.582 120.200 0.045 0.000 2.409 80 E HA -0.106 nan 4.350 nan 0.000 0.257 80 E C -0.194 176.437 176.600 0.052 0.000 1.150 80 E CA -0.274 56.163 56.400 0.060 0.000 0.942 80 E CB 0.672 30.402 29.700 0.051 0.000 0.979 80 E HN -0.679 7.545 8.360 0.034 0.157 0.447 81 Q N 0.354 120.211 119.800 0.096 0.000 2.269 81 Q HA 0.289 nan 4.340 nan 0.000 0.263 81 Q C -1.430 174.586 176.000 0.026 0.000 0.983 81 Q CA -0.859 54.984 55.803 0.065 0.000 0.777 81 Q CB 3.734 32.671 28.738 0.332 0.000 1.273 81 Q HN 0.537 8.791 8.270 0.137 0.098 0.440 82 T N 5.465 119.836 114.554 -0.304 0.000 2.824 82 T HA 0.635 nan 4.350 nan 0.000 0.280 82 T C -1.018 173.277 174.700 -0.675 0.000 0.995 82 T CA -0.308 61.647 62.100 -0.242 0.000 1.009 82 T CB 1.030 69.806 68.868 -0.154 0.000 0.955 82 T HN 0.282 8.298 8.240 -0.374 0.000 0.452 83 F N 3.411 123.371 119.950 0.016 0.000 2.764 83 F HA 0.549 nan 4.527 nan 0.000 0.347 83 F C -1.842 173.957 175.800 -0.003 0.000 1.151 83 F CA -1.898 56.103 58.000 0.001 0.000 1.021 83 F CB 3.773 42.771 39.000 -0.004 0.000 1.438 83 F HN 0.681 9.109 8.300 0.212 0.000 0.516 84 K N -0.787 119.714 120.400 0.168 0.000 2.469 84 K HA 0.487 nan 4.320 nan 0.000 0.254 84 K C -1.988 174.644 176.600 0.053 0.000 0.939 84 K CA -1.333 55.001 56.287 0.078 0.000 0.812 84 K CB 4.193 36.713 32.500 0.034 0.000 1.301 84 K HN 0.185 8.567 8.250 0.221 0.000 0.433 85 V N 4.953 124.881 119.914 0.023 0.000 2.521 85 V HA -0.112 nan 4.120 nan 0.000 0.286 85 V C -0.829 175.240 176.094 -0.040 0.000 1.034 85 V CA 1.077 63.366 62.300 -0.017 0.000 1.045 85 V CB -0.647 31.180 31.823 0.006 0.000 0.974 85 V HN 0.106 8.314 8.190 0.030 0.000 0.480 86 K N 7.396 127.737 120.400 -0.098 0.000 2.067 86 K HA -0.046 nan 4.320 nan 0.000 0.203 86 K C -0.045 176.483 176.600 -0.120 0.000 1.048 86 K CA 1.291 57.514 56.287 -0.106 0.000 0.954 86 K CB 1.557 33.966 32.500 -0.151 0.000 0.737 86 K HN 0.877 9.039 8.250 -0.146 0.000 0.444 87 K N -5.981 114.322 120.400 -0.162 0.000 2.572 87 K HA 0.168 nan 4.320 nan 0.000 0.263 87 K C -3.074 173.444 176.600 -0.135 0.000 0.932 87 K CA -0.747 55.438 56.287 -0.170 0.000 0.838 87 K CB 2.441 34.834 32.500 -0.178 0.000 1.366 87 K HN -0.631 7.494 8.250 -0.209 0.000 0.425 88 Y N -1.553 118.643 120.300 -0.172 0.000 2.485 88 Y HA 0.955 nan 4.550 nan 0.000 0.345 88 Y C -1.847 174.023 175.900 -0.050 0.000 0.998 88 Y CA -2.357 55.653 58.100 -0.150 0.000 1.059 88 Y CB 2.564 40.847 38.460 -0.294 0.000 1.234 88 Y HN 0.108 8.139 8.280 -0.415 0.000 0.461 89 I N 3.690 124.426 120.570 0.276 0.000 2.418 89 I HA 0.261 nan 4.170 nan 0.000 0.287 89 I C -1.417 174.996 176.117 0.494 0.000 1.008 89 I CA -0.843 60.626 61.300 0.282 0.000 1.104 89 I CB 2.447 40.581 38.000 0.223 0.000 1.264 89 I HN 0.754 9.061 8.210 0.349 0.112 0.438 90 V N 6.422 126.608 119.914 0.453 0.000 2.370 90 V HA 0.148 nan 4.120 nan 0.000 0.283 90 V C -0.151 176.219 176.094 0.460 0.000 1.023 90 V CA -1.821 60.756 62.300 0.463 0.000 0.857 90 V CB -0.040 32.056 31.823 0.455 0.000 0.985 90 V HN 0.264 8.655 8.190 0.334 0.000 0.443 91 H N 9.155 128.396 119.070 0.286 0.000 3.254 91 H HA -0.139 nan 4.556 nan 0.000 0.253 91 H C 0.934 176.418 175.328 0.260 0.000 0.853 91 H CA 0.850 57.016 56.048 0.197 0.000 1.404 91 H CB 0.780 30.316 29.762 -0.377 0.000 1.483 91 H HN 0.157 8.620 8.280 0.304 0.000 0.522 92 K N 6.395 126.921 120.400 0.211 0.000 2.117 92 K HA -0.379 nan 4.320 nan 0.000 0.215 92 K C 0.529 177.318 176.600 0.315 0.000 1.053 92 K CA 2.891 59.310 56.287 0.219 0.000 0.935 92 K CB -0.217 32.352 32.500 0.116 0.000 0.719 92 K HN 0.485 8.837 8.250 0.170 0.000 0.460 93 E N -2.813 117.697 120.200 0.516 0.000 2.335 93 E HA -0.046 nan 4.350 nan 0.000 0.191 93 E C -0.845 175.924 176.600 0.282 0.000 1.077 93 E CA -1.108 55.514 56.400 0.370 0.000 1.010 93 E CB -0.210 29.704 29.700 0.356 0.000 1.141 93 E HN -0.660 8.048 8.360 0.588 0.005 0.452 94 F N 2.887 122.941 119.950 0.173 0.000 2.533 94 F HA -0.203 nan 4.527 nan 0.000 0.378 94 F C -1.380 174.419 175.800 -0.002 0.000 1.070 94 F CA -0.649 57.369 58.000 0.030 0.000 1.172 94 F CB 0.218 39.253 39.000 0.059 0.000 1.085 94 F HN -0.223 8.299 8.300 0.504 0.080 0.552 95 D N 9.961 130.103 120.400 -0.431 0.000 2.380 95 D HA -0.014 nan 4.640 nan 0.000 0.230 95 D C -0.003 175.651 176.300 -1.077 0.000 1.154 95 D CA -1.085 52.553 54.000 -0.604 0.000 0.859 95 D CB 1.120 41.757 40.800 -0.272 0.000 1.045 95 D HN 0.160 8.518 8.370 -0.019 0.000 0.495 96 D N 6.614 126.302 120.400 -1.186 0.000 2.218 96 D HA -0.281 nan 4.640 nan 0.000 0.204 96 D C 0.811 176.631 176.300 -0.799 0.000 0.976 96 D CA 2.507 55.905 54.000 -1.002 0.000 0.853 96 D CB 0.393 40.851 40.800 -0.570 0.000 0.939 96 D HN 0.168 7.960 8.370 -0.963 0.000 0.481 97 D N -3.366 116.686 120.400 -0.579 0.000 2.123 97 D HA 0.007 nan 4.640 nan 0.000 0.200 97 D C 0.364 176.387 176.300 -0.462 0.000 0.976 97 D CA 1.951 55.688 54.000 -0.437 0.000 0.831 97 D CB 0.769 41.400 40.800 -0.282 0.000 0.974 97 D HN -0.055 8.193 8.370 -0.528 -0.195 0.469 98 T N -7.430 106.869 114.554 -0.425 0.000 3.040 98 T HA 0.203 nan 4.350 nan 0.000 0.266 98 T C 0.336 174.913 174.700 -0.205 0.000 1.005 98 T CA -1.223 60.691 62.100 -0.311 0.000 0.906 98 T CB 0.139 68.909 68.868 -0.164 0.000 1.082 98 T HN -0.869 7.301 8.240 -0.417 -0.181 0.531 99 Y N -2.594 117.624 120.300 -0.137 0.000 4.604 99 Y HA -0.535 nan 4.550 nan 0.000 0.230 99 Y C -1.503 174.521 175.900 0.206 0.000 1.066 99 Y CA 1.005 59.188 58.100 0.138 0.000 1.990 99 Y CB -2.819 35.594 38.460 -0.078 0.000 1.619 99 Y HN 0.461 8.373 8.280 -0.612 0.000 0.649 100 N N -0.317 118.503 118.700 0.199 0.000 2.492 100 N HA -0.158 nan 4.740 nan 0.000 0.260 100 N C 0.042 175.655 175.510 0.172 0.000 1.215 100 N CA 1.358 54.510 53.050 0.170 0.000 0.923 100 N CB 0.532 39.069 38.487 0.084 0.000 1.092 100 N HN -0.964 7.382 8.380 0.053 0.066 0.448 101 N N 0.269 118.990 118.700 0.036 0.000 2.776 101 N HA -0.478 nan 4.740 nan 0.000 0.250 101 N C -1.388 173.916 175.510 -0.344 0.000 1.112 101 N CA 1.591 54.446 53.050 -0.325 0.000 0.733 101 N CB -1.219 36.950 38.487 -0.530 0.000 1.097 101 N HN 0.518 8.959 8.380 0.101 0.000 0.558 102 D N 0.244 120.549 120.400 -0.159 0.000 2.441 102 D HA 0.001 nan 4.640 nan 0.000 0.243 102 D C -1.830 174.192 176.300 -0.464 0.000 1.257 102 D CA 0.496 54.303 54.000 -0.321 0.000 1.027 102 D CB -0.510 40.298 40.800 0.013 0.000 1.084 102 D HN -0.505 7.835 8.370 -0.009 0.026 0.514 103 I N 2.839 123.071 120.570 -0.563 0.000 2.785 103 I HA 0.620 nan 4.170 nan 0.000 0.293 103 I C -3.430 172.487 176.117 -0.334 0.000 1.446 103 I CA -0.813 60.173 61.300 -0.523 0.000 1.028 103 I CB 4.111 41.600 38.000 -0.851 0.000 1.349 103 I HN -0.071 7.792 8.210 -0.552 0.016 0.438 104 A N 5.531 128.309 122.820 -0.070 0.000 2.594 104 A HA 0.900 nan 4.320 nan 0.000 0.295 104 A C -3.044 174.783 177.584 0.406 0.000 1.071 104 A CA -0.914 51.290 52.037 0.278 0.000 0.685 104 A CB 3.841 23.029 19.000 0.315 0.000 1.285 104 A HN 0.613 8.716 8.150 -0.077 0.000 0.405 105 L N -0.718 120.844 121.223 0.565 0.000 2.334 105 L HA 0.853 nan 4.340 nan 0.000 0.272 105 L C -1.285 175.785 176.870 0.333 0.000 1.020 105 L CA -1.538 53.588 54.840 0.477 0.000 0.812 105 L CB 3.326 45.712 42.059 0.545 0.000 1.264 105 L HN 0.548 9.173 8.230 0.658 0.000 0.439 106 L N -0.360 120.988 121.223 0.209 0.000 2.446 106 L HA 0.440 nan 4.340 nan 0.000 0.268 106 L C -2.007 174.664 176.870 -0.332 0.000 0.975 106 L CA -0.981 53.862 54.840 0.005 0.000 0.848 106 L CB 1.745 43.826 42.059 0.036 0.000 1.225 106 L HN 0.588 8.984 8.230 0.276 0.000 0.410 107 Q N 4.308 123.701 119.800 -0.679 0.000 2.294 107 Q HA 0.332 nan 4.340 nan 0.000 0.257 107 Q C -1.019 174.616 176.000 -0.608 0.000 0.955 107 Q CA -1.062 53.998 55.803 -1.239 0.000 0.936 107 Q CB 1.567 29.494 28.738 -1.351 0.000 1.188 107 Q HN 0.716 8.704 8.270 -0.471 0.000 0.420 108 L N 5.995 126.909 121.223 -0.514 0.000 2.470 108 L HA 0.303 nan 4.340 nan 0.000 0.243 108 L C -0.233 176.535 176.870 -0.170 0.000 1.227 108 L CA 0.111 54.806 54.840 -0.241 0.000 0.824 108 L CB 0.790 42.709 42.059 -0.233 0.000 1.175 108 L HN 0.607 8.321 8.230 -0.668 0.116 0.503 109 K N -0.052 120.336 120.400 -0.020 0.000 2.752 109 K HA 0.186 nan 4.320 nan 0.000 0.199 109 K C -0.913 175.739 176.600 0.087 0.000 1.069 109 K CA -0.491 55.797 56.287 0.002 0.000 1.033 109 K CB 0.700 33.194 32.500 -0.009 0.000 1.229 109 K HN -0.017 8.274 8.250 0.068 0.000 0.572 110 Q N 5.136 124.973 119.800 0.063 0.000 3.551 110 Q HA -0.313 nan 4.340 nan 0.000 0.368 110 Q C -0.366 175.682 176.000 0.081 0.000 1.097 110 Q CA 1.088 56.929 55.803 0.063 0.000 1.274 110 Q CB -0.695 28.082 28.738 0.064 0.000 0.967 110 Q HN 0.352 8.661 8.270 0.064 0.000 0.437 111 c N 5.468 124.096 118.600 0.047 0.000 5.003 111 c HA -0.100 nan 4.570 nan 0.000 0.292 111 c C -0.114 174.029 174.090 0.087 0.000 1.294 111 c CA 0.029 56.406 56.329 0.079 0.000 1.820 111 c CB -0.099 42.318 42.510 -0.155 0.000 2.115 111 c HN 0.070 8.307 8.230 0.012 0.000 0.469 112 A N 0.445 123.081 122.820 -0.306 0.000 2.524 112 A HA -0.057 nan 4.320 nan 0.000 0.250 112 A C -1.395 176.225 177.584 0.061 0.000 1.078 112 A CA 0.827 52.761 52.037 -0.171 0.000 0.761 112 A CB 0.384 19.197 19.000 -0.312 0.000 1.012 112 A HN 0.102 7.892 8.150 -0.437 0.097 0.500 113 Q N 5.032 124.929 119.800 0.161 0.000 2.368 113 Q HA 0.034 nan 4.340 nan 0.000 0.256 113 Q C -1.137 174.924 176.000 0.102 0.000 0.980 113 Q CA -1.251 54.624 55.803 0.120 0.000 0.887 113 Q CB 1.257 30.070 28.738 0.126 0.000 1.221 113 Q HN 0.202 9.008 8.270 0.264 -0.378 0.458 114 E N 4.928 125.177 120.200 0.083 0.000 2.508 114 E HA -0.306 nan 4.350 nan 0.000 0.266 114 E C -0.861 175.784 176.600 0.073 0.000 1.010 114 E CA 1.103 57.551 56.400 0.080 0.000 0.955 114 E CB 0.521 30.267 29.700 0.077 0.000 0.946 114 E HN 0.149 8.555 8.360 0.076 0.000 0.454 115 S N 4.176 119.917 115.700 0.069 0.000 2.627 115 S HA 0.247 nan 4.470 nan 0.000 0.268 115 S C 0.279 174.906 174.600 0.045 0.000 1.130 115 S CA -1.269 56.964 58.200 0.055 0.000 0.819 115 S CB 2.777 66.010 63.200 0.056 0.000 1.100 115 S HN 0.544 8.898 8.310 0.073 0.000 0.465 116 D N 0.729 121.148 120.400 0.032 0.000 2.354 116 D HA -0.180 nan 4.640 nan 0.000 0.216 116 D C 0.624 176.922 176.300 -0.004 0.000 0.970 116 D CA 2.971 56.981 54.000 0.017 0.000 0.905 116 D CB -0.634 40.173 40.800 0.011 0.000 0.903 116 D HN 0.621 9.010 8.370 0.033 0.000 0.508 117 S N -4.140 111.564 115.700 0.007 0.000 2.559 117 S HA 0.164 nan 4.470 nan 0.000 0.226 117 S C -0.610 173.994 174.600 0.007 0.000 1.030 117 S CA 0.325 58.521 58.200 -0.006 0.000 0.956 117 S CB 2.600 65.808 63.200 0.013 0.000 0.900 117 S HN -0.640 7.613 8.310 0.026 0.072 0.510 118 V N 2.307 122.244 119.914 0.039 0.000 2.482 118 V HA 0.202 nan 4.120 nan 0.000 0.295 118 V C -2.494 173.652 176.094 0.085 0.000 1.026 118 V CA -0.623 61.717 62.300 0.067 0.000 0.856 118 V CB 1.613 33.497 31.823 0.100 0.000 1.001 118 V HN -0.238 7.853 8.190 0.045 0.127 0.424 119 R N 6.998 127.569 120.500 0.119 0.000 2.579 119 R HA 0.248 nan 4.340 nan 0.000 0.260 119 R C -2.196 174.277 176.300 0.290 0.000 1.103 119 R CA -0.415 55.793 56.100 0.181 0.000 0.942 119 R CB 4.289 34.703 30.300 0.189 0.000 1.251 119 R HN 0.396 8.626 8.270 0.113 0.107 0.450 120 A N 4.680 127.640 122.820 0.233 0.000 2.406 120 A HA 0.240 nan 4.320 nan 0.000 0.243 120 A C -1.290 176.431 177.584 0.229 0.000 1.082 120 A CA -0.011 52.163 52.037 0.228 0.000 0.786 120 A CB 1.033 20.113 19.000 0.134 0.000 1.029 120 A HN 0.473 8.728 8.150 0.176 0.000 0.495 121 I N -1.552 119.083 120.570 0.109 0.000 2.664 121 I HA 0.388 nan 4.170 nan 0.000 0.308 121 I C -0.993 175.057 176.117 -0.112 0.000 0.984 121 I CA -1.862 59.329 61.300 -0.181 0.000 1.213 121 I CB 3.213 40.976 38.000 -0.395 0.000 1.379 121 I HN -0.409 7.882 8.210 0.136 0.000 0.501 122 c N 7.371 125.874 118.600 -0.161 0.000 2.369 122 c HA 0.259 nan 4.570 nan 0.000 0.358 122 c C -0.757 173.277 174.090 -0.092 0.000 1.274 122 c CA -0.765 55.507 56.329 -0.096 0.000 1.935 122 c CB -0.746 41.710 42.510 -0.090 0.000 2.431 122 c HN 0.023 8.100 8.230 -0.255 0.000 0.545 123 L N 4.203 125.392 121.223 -0.057 0.000 2.349 123 L HA 0.359 nan 4.340 nan 0.000 0.275 123 L C -1.325 175.521 176.870 -0.039 0.000 1.115 123 L CA -1.303 53.515 54.840 -0.036 0.000 0.820 123 L CB -0.145 41.907 42.059 -0.012 0.000 1.135 123 L HN 0.487 8.689 8.230 -0.048 0.000 0.445 124 P HA 0.071 nan 4.420 nan 0.000 0.274 124 P C -1.450 175.837 177.300 -0.022 0.000 1.246 124 P CA -0.730 62.351 63.100 -0.031 0.000 0.795 124 P CB 0.734 32.419 31.700 -0.026 0.000 1.006 125 E N -0.838 119.346 120.200 -0.026 0.000 2.345 125 E HA 0.011 nan 4.350 nan 0.000 0.259 125 E C 1.538 178.129 176.600 -0.016 0.000 1.117 125 E CA -0.449 55.939 56.400 -0.021 0.000 0.913 125 E CB 0.802 30.487 29.700 -0.026 0.000 1.057 125 E HN 0.168 8.510 8.360 -0.031 0.000 0.432 126 A N 1.453 124.265 122.820 -0.013 0.000 2.172 126 A HA -0.198 nan 4.320 nan 0.000 0.216 126 A C 0.046 177.620 177.584 -0.018 0.000 1.154 126 A CA 2.582 54.611 52.037 -0.013 0.000 0.701 126 A CB -0.797 18.196 19.000 -0.011 0.000 0.789 126 A HN 0.407 8.549 8.150 -0.012 0.000 0.465 127 N N -5.055 113.633 118.700 -0.019 0.000 2.412 127 N HA -0.059 nan 4.740 nan 0.000 0.184 127 N C -0.721 174.775 175.510 -0.023 0.000 1.101 127 N CA -0.279 52.759 53.050 -0.020 0.000 0.881 127 N CB -0.242 38.233 38.487 -0.019 0.000 0.969 127 N HN -0.075 8.236 8.380 -0.019 0.058 0.459 128 L N 1.158 122.366 121.223 -0.024 0.000 2.456 128 L HA -0.081 nan 4.340 nan 0.000 0.277 128 L C -0.606 176.246 176.870 -0.031 0.000 1.124 128 L CA 0.494 55.317 54.840 -0.028 0.000 0.880 128 L CB -0.314 41.728 42.059 -0.029 0.000 1.192 128 L HN -0.720 7.327 8.230 -0.023 0.170 0.463 129 Q N 6.529 126.309 119.800 -0.033 0.000 2.490 129 Q HA 0.197 nan 4.340 nan 0.000 0.255 129 Q C -1.276 174.698 176.000 -0.043 0.000 0.997 129 Q CA -0.876 54.903 55.803 -0.040 0.000 0.709 129 Q CB 1.386 30.100 28.738 -0.039 0.000 1.255 129 Q HN 0.301 8.553 8.270 -0.031 0.000 0.486 130 L N 5.425 126.620 121.223 -0.048 0.000 2.452 130 L HA 0.187 nan 4.340 nan 0.000 0.267 130 L C -1.266 175.570 176.870 -0.055 0.000 1.188 130 L CA -2.043 52.769 54.840 -0.046 0.000 0.821 130 L CB -0.578 41.453 42.059 -0.046 0.000 1.102 130 L HN 0.126 8.325 8.230 -0.051 0.000 0.470 131 P HA 0.038 nan 4.420 nan 0.000 0.268 131 P C -1.531 175.726 177.300 -0.071 0.000 1.204 131 P CA -0.631 62.443 63.100 -0.045 0.000 0.768 131 P CB 0.614 32.307 31.700 -0.012 0.000 0.842 132 D N 2.290 122.604 120.400 -0.143 0.000 2.506 132 D HA -0.322 nan 4.640 nan 0.000 0.234 132 D C 0.145 176.356 176.300 -0.149 0.000 1.143 132 D CA 1.445 55.246 54.000 -0.332 0.000 0.871 132 D CB 0.050 40.506 40.800 -0.573 0.000 1.190 132 D HN -0.035 8.257 8.370 -0.130 0.000 0.459 133 W N -3.359 117.901 121.300 -0.067 0.000 2.046 133 W HA -0.531 nan 4.660 nan 0.000 0.263 133 W C -0.472 176.015 176.519 -0.054 0.000 1.048 133 W CA 0.002 57.302 57.345 -0.075 0.000 0.474 133 W CB -2.345 27.056 29.460 -0.098 0.000 2.069 133 W HN 0.865 8.727 8.180 -0.358 0.104 1.264 134 T N 1.719 116.343 114.554 0.117 0.000 2.930 134 T HA 0.027 nan 4.350 nan 0.000 0.306 134 T C -0.709 174.026 174.700 0.058 0.000 1.045 134 T CA 1.061 63.197 62.100 0.061 0.000 1.134 134 T CB 1.022 69.896 68.868 0.010 0.000 0.961 134 T HN -0.441 7.764 8.240 0.049 0.065 0.545 135 E N 5.744 125.966 120.200 0.036 0.000 2.259 135 E HA 0.338 nan 4.350 nan 0.000 0.281 135 E C -0.926 175.688 176.600 0.024 0.000 1.037 135 E CA 0.112 56.530 56.400 0.030 0.000 0.854 135 E CB 0.767 30.463 29.700 -0.007 0.000 1.051 135 E HN 0.282 8.655 8.360 0.022 0.000 0.409 136 c N 3.595 122.224 118.600 0.048 0.000 3.205 136 c HA 0.804 nan 4.570 nan 0.000 0.372 136 c C -1.132 173.042 174.090 0.141 0.000 1.892 136 c CA -1.813 54.548 56.329 0.054 0.000 1.516 136 c CB 3.763 46.270 42.510 -0.006 0.000 2.371 136 c HN 0.438 8.707 8.230 0.065 0.000 0.468 137 E N -2.323 117.974 120.200 0.162 0.000 2.429 137 E HA 0.873 nan 4.350 nan 0.000 0.276 137 E C -2.024 174.687 176.600 0.185 0.000 0.953 137 E CA -0.988 55.559 56.400 0.245 0.000 0.787 137 E CB 4.527 34.457 29.700 0.385 0.000 1.307 137 E HN 0.455 8.785 8.360 0.117 0.100 0.458 138 L N -4.183 117.122 121.223 0.137 0.000 2.415 138 L HA 0.876 nan 4.340 nan 0.000 0.256 138 L C -1.942 174.885 176.870 -0.071 0.000 1.010 138 L CA -1.347 53.551 54.840 0.097 0.000 0.826 138 L CB 3.560 45.704 42.059 0.141 0.000 1.405 138 L HN -0.025 8.265 8.230 0.101 0.000 0.410 139 S N -0.824 114.808 115.700 -0.113 0.000 2.607 139 S HA 0.748 nan 4.470 nan 0.000 0.273 139 S C -0.355 174.114 174.600 -0.219 0.000 1.148 139 S CA -1.790 56.228 58.200 -0.303 0.000 0.833 139 S CB 3.474 66.344 63.200 -0.550 0.000 1.130 139 S HN -0.160 8.142 8.310 -0.013 0.000 0.470 140 G N -2.455 106.148 108.800 -0.328 0.000 2.316 140 G HA2 0.207 nan 3.960 nan 0.000 0.296 140 G HA3 0.207 nan 3.960 nan 0.000 0.296 140 G C -2.667 172.017 174.900 -0.359 0.000 1.399 140 G CA 0.507 45.444 45.100 -0.272 0.000 0.833 140 G HN -0.359 7.679 8.290 -0.420 0.000 0.565 141 Y N -0.970 119.307 120.300 -0.038 0.000 2.531 141 Y HA 0.330 nan 4.550 nan 0.000 0.249 141 Y C 0.212 175.994 175.900 -0.197 0.000 1.168 141 Y CA -1.792 56.220 58.100 -0.147 0.000 1.226 141 Y CB 0.681 38.948 38.460 -0.321 0.000 1.177 141 Y HN 0.575 8.969 8.280 0.190 0.000 0.527 142 G N -0.312 108.518 108.800 0.049 0.000 2.647 142 G HA2 -0.153 nan 3.960 nan 0.000 0.271 142 G HA3 -0.153 nan 3.960 nan 0.000 0.271 142 G C -0.391 174.681 174.900 0.286 0.000 1.300 142 G CA -0.407 44.763 45.100 0.117 0.000 0.997 142 G HN -0.449 8.042 8.290 0.061 -0.164 0.533 143 K N -0.155 120.464 120.400 0.365 0.000 2.402 143 K HA -0.238 nan 4.320 nan 0.000 0.265 143 K C 1.406 178.225 176.600 0.364 0.000 0.978 143 K CA 1.647 58.116 56.287 0.304 0.000 0.913 143 K CB 0.403 33.032 32.500 0.214 0.000 0.954 143 K HN 0.365 8.754 8.250 0.406 0.105 0.511 144 H N 0.066 119.202 119.070 0.110 0.000 2.439 144 H HA 0.001 nan 4.556 nan 0.000 0.299 144 H C -0.373 174.985 175.328 0.050 0.000 1.033 144 H CA 0.918 57.013 56.048 0.079 0.000 1.348 144 H CB 1.563 31.390 29.762 0.108 0.000 1.449 144 H HN 0.479 8.918 8.280 0.265 0.000 0.544 145 K N -2.992 117.521 120.400 0.188 0.000 2.375 145 K HA 0.244 nan 4.320 nan 0.000 0.249 145 K C -1.388 175.261 176.600 0.082 0.000 0.942 145 K CA -1.802 54.547 56.287 0.104 0.000 0.806 145 K CB 2.215 34.769 32.500 0.089 0.000 1.227 145 K HN -0.525 7.842 8.250 0.196 0.000 0.430 146 S N 0.766 116.498 115.700 0.052 0.000 2.368 146 S HA -0.345 nan 4.470 nan 0.000 0.226 146 S C 0.352 174.972 174.600 0.034 0.000 1.044 146 S CA 2.901 61.123 58.200 0.037 0.000 1.062 146 S CB 0.130 63.338 63.200 0.014 0.000 0.931 146 S HN 0.672 9.008 8.310 0.043 0.000 0.440 147 S N -1.044 114.676 115.700 0.033 0.000 3.363 147 S HA 0.062 nan 4.470 nan 0.000 0.267 147 S C -1.023 173.604 174.600 0.044 0.000 1.288 147 S CA -0.555 57.662 58.200 0.028 0.000 0.948 147 S CB -1.181 62.033 63.200 0.023 0.000 1.397 147 S HN -0.159 8.172 8.310 0.035 0.000 0.493 148 S N 3.990 119.716 115.700 0.044 0.000 2.543 148 S HA 0.496 nan 4.470 nan 0.000 0.271 148 S C -1.896 172.713 174.600 0.016 0.000 1.148 148 S CA -3.076 55.172 58.200 0.081 0.000 0.914 148 S CB 2.034 65.301 63.200 0.111 0.000 1.096 148 S HN -0.586 7.739 8.310 0.024 0.000 0.471 149 P HA 0.200 nan 4.420 nan 0.000 0.251 149 P C -0.965 176.045 177.300 -0.484 0.000 1.223 149 P CA 0.284 63.221 63.100 -0.272 0.000 0.796 149 P CB 0.428 31.908 31.700 -0.367 0.000 1.068 150 F N -0.469 119.359 119.950 -0.202 0.000 2.425 150 F HA 0.114 nan 4.527 nan 0.000 0.331 150 F C -0.873 174.789 175.800 -0.230 0.000 1.085 150 F CA -0.605 57.259 58.000 -0.226 0.000 1.028 150 F CB 1.304 40.215 39.000 -0.150 0.000 1.177 150 F HN -0.754 7.670 8.300 0.301 0.057 0.487 151 Y N 0.096 120.429 120.300 0.054 0.000 2.374 151 Y HA 0.095 nan 4.550 nan 0.000 0.322 151 Y C 0.053 175.903 175.900 -0.084 0.000 1.275 151 Y CA -1.455 56.614 58.100 -0.053 0.000 1.307 151 Y CB 1.420 39.755 38.460 -0.208 0.000 1.282 151 Y HN -0.074 8.221 8.280 0.024 0.000 0.509 152 S N 0.352 116.127 115.700 0.125 0.000 2.568 152 S HA -0.184 nan 4.470 nan 0.000 0.282 152 S C 1.122 175.758 174.600 0.061 0.000 1.338 152 S CA 0.122 58.377 58.200 0.091 0.000 1.045 152 S CB 0.921 64.360 63.200 0.399 0.000 0.873 152 S HN 0.284 8.503 8.310 0.189 0.204 0.516 153 E N 4.587 124.795 120.200 0.015 0.000 2.400 153 E HA 0.014 nan 4.350 nan 0.000 0.195 153 E C -0.801 175.836 176.600 0.062 0.000 1.012 153 E CA 0.382 56.790 56.400 0.013 0.000 0.875 153 E CB 0.786 30.464 29.700 -0.037 0.000 0.859 153 E HN 0.560 8.909 8.360 -0.018 0.000 0.498 154 Q N -2.986 116.797 119.800 -0.029 0.000 2.456 154 Q HA 0.336 nan 4.340 nan 0.000 0.283 154 Q C -1.836 174.165 176.000 0.002 0.000 1.084 154 Q CA -1.844 53.888 55.803 -0.118 0.000 0.801 154 Q CB 3.851 32.281 28.738 -0.514 0.000 1.434 154 Q HN -0.755 7.465 8.270 -0.015 0.041 0.419 155 L N 2.123 123.296 121.223 -0.083 0.000 2.559 155 L HA -0.077 nan 4.340 nan 0.000 0.274 155 L C -1.789 175.009 176.870 -0.120 0.000 1.205 155 L CA 1.176 55.849 54.840 -0.277 0.000 0.907 155 L CB 0.389 42.251 42.059 -0.328 0.000 1.153 155 L HN 0.419 8.557 8.230 -0.153 0.000 0.490 156 K N 6.890 127.183 120.400 -0.179 0.000 2.110 156 K HA 0.463 nan 4.320 nan 0.000 0.263 156 K C -1.891 174.545 176.600 -0.272 0.000 0.975 156 K CA -1.122 55.078 56.287 -0.145 0.000 0.895 156 K CB 1.476 33.882 32.500 -0.158 0.000 1.060 156 K HN 0.853 8.921 8.250 -0.304 0.000 0.448 157 E N 2.284 122.329 120.200 -0.258 0.000 2.218 157 E HA 0.388 nan 4.350 nan 0.000 0.263 157 E C -1.552 174.854 176.600 -0.324 0.000 0.879 157 E CA -1.516 54.720 56.400 -0.274 0.000 0.762 157 E CB 3.677 33.322 29.700 -0.092 0.000 1.166 157 E HN -0.165 8.047 8.360 -0.247 0.000 0.415 158 G N 3.089 111.732 108.800 -0.261 0.000 2.482 158 G HA2 0.611 nan 3.960 nan 0.000 0.317 158 G HA3 0.611 nan 3.960 nan 0.000 0.317 158 G C -2.234 172.630 174.900 -0.060 0.000 1.241 158 G CA -1.027 43.993 45.100 -0.132 0.000 0.967 158 G HN 0.428 8.600 8.290 -0.197 0.000 0.482 159 H N 2.342 121.631 119.070 0.365 0.000 2.587 159 H HA 0.547 nan 4.556 nan 0.000 0.325 159 H C -0.711 174.667 175.328 0.083 0.000 1.012 159 H CA -1.307 54.829 56.048 0.146 0.000 1.213 159 H CB 1.577 31.375 29.762 0.061 0.000 1.431 159 H HN -0.244 8.390 8.280 0.590 0.000 0.492 160 V N -0.753 119.283 119.914 0.202 0.000 3.139 160 V HA 0.833 nan 4.120 nan 0.000 0.310 160 V C -1.852 174.322 176.094 0.133 0.000 1.260 160 V CA -3.307 59.082 62.300 0.149 0.000 1.064 160 V CB 3.759 35.652 31.823 0.116 0.000 1.160 160 V HN -0.170 8.146 8.190 0.210 0.000 0.470 161 R N -2.886 117.719 120.500 0.176 0.000 2.698 161 R HA 0.630 nan 4.340 nan 0.000 0.275 161 R C -1.198 175.230 176.300 0.214 0.000 1.001 161 R CA -1.452 54.770 56.100 0.203 0.000 0.896 161 R CB 4.464 34.952 30.300 0.313 0.000 1.218 161 R HN -0.111 8.189 8.270 0.220 0.102 0.462 162 L N 3.178 124.452 121.223 0.084 0.000 2.500 162 L HA -0.010 nan 4.340 nan 0.000 0.272 162 L C -0.597 176.215 176.870 -0.097 0.000 1.149 162 L CA -0.480 54.344 54.840 -0.026 0.000 0.897 162 L CB -1.635 40.361 42.059 -0.105 0.000 1.178 162 L HN 0.180 8.451 8.230 0.068 0.000 0.473 163 Y N 7.872 127.967 120.300 -0.340 0.000 2.326 163 Y HA 0.016 nan 4.550 nan 0.000 0.333 163 Y C -1.306 174.198 175.900 -0.660 0.000 1.240 163 Y CA -1.832 55.909 58.100 -0.600 0.000 1.365 163 Y CB -0.880 37.383 38.460 -0.327 0.000 1.289 163 Y HN -0.080 8.286 8.280 0.144 0.000 0.548 164 P HA 0.104 nan 4.420 nan 0.000 0.274 164 P C 0.244 177.382 177.300 -0.271 0.000 1.246 164 P CA -0.864 61.926 63.100 -0.516 0.000 0.795 164 P CB 0.978 32.344 31.700 -0.557 0.000 1.006 165 S N 1.364 116.957 115.700 -0.179 0.000 2.383 165 S HA -0.273 nan 4.470 nan 0.000 0.229 165 S C 2.183 176.747 174.600 -0.061 0.000 1.030 165 S CA 3.877 62.022 58.200 -0.092 0.000 1.002 165 S CB -0.445 62.719 63.200 -0.060 0.000 0.829 165 S HN 0.725 8.925 8.310 -0.184 0.000 0.467 166 S N 2.410 118.065 115.700 -0.075 0.000 2.419 166 S HA -0.181 nan 4.470 nan 0.000 0.233 166 S C 0.795 175.365 174.600 -0.051 0.000 1.016 166 S CA 2.658 60.848 58.200 -0.016 0.000 0.974 166 S CB -0.346 62.846 63.200 -0.014 0.000 0.786 166 S HN 0.241 8.473 8.310 -0.108 0.013 0.492 167 R N -2.325 118.030 120.500 -0.243 0.000 2.334 167 R HA 0.156 nan 4.340 nan 0.000 0.216 167 R C -0.674 175.404 176.300 -0.369 0.000 0.905 167 R CA -0.949 54.767 56.100 -0.639 0.000 1.064 167 R CB 0.387 30.392 30.300 -0.492 0.000 1.046 167 R HN -0.569 7.423 8.270 -0.219 0.146 0.508 168 c N 1.211 119.761 118.600 -0.083 0.000 2.250 168 c HA 0.195 nan 4.570 nan 0.000 0.380 168 c C -0.171 174.002 174.090 0.139 0.000 1.075 168 c CA -0.945 55.397 56.329 0.022 0.000 1.577 168 c CB -2.311 40.191 42.510 -0.012 0.000 1.608 168 c HN -0.169 7.819 8.230 -0.070 0.199 0.477 169 K N 3.581 123.981 120.400 -0.001 0.000 4.353 169 K HA -0.496 nan 4.320 nan 0.000 0.365 169 K C -0.050 176.321 176.600 -0.382 0.000 0.624 169 K CA 2.729 58.871 56.287 -0.243 0.000 1.576 169 K CB -1.197 31.050 32.500 -0.421 0.000 1.301 169 K HN 0.663 8.939 8.250 0.042 0.000 0.524 170 F N -4.432 115.536 119.950 0.030 0.000 2.530 170 F HA 0.086 nan 4.527 nan 0.000 0.292 170 F C 0.113 175.949 175.800 0.060 0.000 1.109 170 F CA -0.077 57.929 58.000 0.012 0.000 1.450 170 F CB 0.514 39.559 39.000 0.076 0.000 1.114 170 F HN 0.106 8.527 8.300 0.201 0.000 0.560 171 L N -1.017 120.419 121.223 0.354 0.000 2.805 171 L HA 0.056 nan 4.340 nan 0.000 0.237 171 L C -1.298 175.957 176.870 0.641 0.000 1.252 171 L CA -1.266 53.868 54.840 0.490 0.000 1.064 171 L CB -0.383 41.923 42.059 0.410 0.000 1.361 171 L HN -0.782 7.557 8.230 0.337 0.094 0.474 172 F N -2.964 117.066 119.950 0.134 0.000 2.983 172 F HA -0.432 nan 4.527 nan 0.000 0.288 172 F C -0.572 175.280 175.800 0.087 0.000 0.980 172 F CA 0.438 58.494 58.000 0.094 0.000 0.965 172 F CB -2.942 36.118 39.000 0.100 0.000 0.967 172 F HN -0.092 8.120 8.300 0.033 0.108 0.800 173 N N -5.033 113.772 118.700 0.176 0.000 2.678 173 N HA -0.388 nan 4.740 nan 0.000 0.250 173 N C -0.564 175.036 175.510 0.150 0.000 1.136 173 N CA 1.697 54.823 53.050 0.126 0.000 0.757 173 N CB -0.917 37.617 38.487 0.079 0.000 1.135 173 N HN 0.424 8.804 8.380 0.107 0.064 0.565 174 K N -1.011 119.526 120.400 0.229 0.000 2.202 174 K HA 0.074 nan 4.320 nan 0.000 0.264 174 K C -0.291 176.427 176.600 0.196 0.000 1.010 174 K CA -0.025 56.374 56.287 0.187 0.000 0.940 174 K CB 0.831 33.505 32.500 0.291 0.000 0.983 174 K HN -0.723 7.532 8.250 0.311 0.182 0.475 175 T N 0.925 115.520 114.554 0.069 0.000 2.870 175 T HA 0.008 nan 4.350 nan 0.000 0.300 175 T C -0.503 174.346 174.700 0.247 0.000 0.989 175 T CA 0.643 62.800 62.100 0.096 0.000 1.139 175 T CB 0.430 69.295 68.868 -0.004 0.000 0.920 175 T HN -0.025 8.187 8.240 -0.048 0.000 0.537 176 V N 5.436 125.507 119.914 0.262 0.000 2.487 176 V HA 0.270 nan 4.120 nan 0.000 0.298 176 V C -0.529 175.688 176.094 0.205 0.000 1.028 176 V CA -1.294 61.196 62.300 0.317 0.000 0.860 176 V CB 2.306 34.296 31.823 0.278 0.000 0.991 176 V HN 0.023 8.329 8.190 0.193 0.000 0.427 177 T N 1.763 116.442 114.554 0.208 0.000 2.940 177 T HA 0.398 nan 4.350 nan 0.000 0.288 177 T C 0.551 175.324 174.700 0.121 0.000 1.045 177 T CA -1.889 60.296 62.100 0.143 0.000 1.018 177 T CB 3.604 72.552 68.868 0.134 0.000 1.151 177 T HN -0.274 8.130 8.240 0.272 0.000 0.529 178 N N 0.926 119.676 118.700 0.083 0.000 2.519 178 N HA -0.184 nan 4.740 nan 0.000 0.186 178 N C 0.541 176.085 175.510 0.058 0.000 1.062 178 N CA 2.317 55.400 53.050 0.055 0.000 0.910 178 N CB -0.186 38.319 38.487 0.030 0.000 0.958 178 N HN 0.466 8.891 8.380 0.075 0.000 0.445 179 N N -1.940 116.821 118.700 0.100 0.000 2.280 179 N HA 0.051 nan 4.740 nan 0.000 0.192 179 N C -1.138 174.491 175.510 0.198 0.000 1.109 179 N CA 0.160 53.301 53.050 0.152 0.000 0.855 179 N CB 1.001 39.627 38.487 0.232 0.000 0.974 179 N HN -0.322 8.049 8.380 0.118 0.079 0.482 180 M N -1.327 118.371 119.600 0.165 0.000 2.644 180 M HA 0.677 nan 4.480 nan 0.000 0.316 180 M C -2.250 174.106 176.300 0.093 0.000 1.200 180 M CA -0.390 55.010 55.300 0.166 0.000 0.944 180 M CB 4.267 37.010 32.600 0.239 0.000 1.691 180 M HN -0.038 8.153 8.290 0.139 0.182 0.471 181 L N -1.538 119.725 121.223 0.065 0.000 2.470 181 L HA 0.574 nan 4.340 nan 0.000 0.268 181 L C -2.514 174.336 176.870 -0.033 0.000 0.964 181 L CA -0.949 53.892 54.840 0.001 0.000 0.839 181 L CB 3.520 45.568 42.059 -0.018 0.000 1.276 181 L HN 0.667 8.855 8.230 0.090 0.097 0.403 182 c N 5.361 123.909 118.600 -0.086 0.000 2.463 182 c HA 0.748 nan 4.570 nan 0.000 0.380 182 c C -1.138 172.826 174.090 -0.210 0.000 1.264 182 c CA -0.625 55.613 56.329 -0.153 0.000 2.161 182 c CB 0.056 42.451 42.510 -0.191 0.000 2.515 182 c HN 0.682 8.867 8.230 -0.075 0.000 0.565 183 A N 4.254 126.914 122.820 -0.266 0.000 2.517 183 A HA 0.805 nan 4.320 nan 0.000 0.297 183 A C -2.498 174.971 177.584 -0.192 0.000 1.050 183 A CA -0.474 51.419 52.037 -0.241 0.000 0.694 183 A CB 3.242 21.972 19.000 -0.451 0.000 1.277 183 A HN 0.886 8.936 8.150 -0.166 0.000 0.400 184 G N 1.028 109.767 108.800 -0.100 0.000 2.646 184 G HA2 0.434 nan 3.960 nan 0.000 0.291 184 G HA3 0.434 nan 3.960 nan 0.000 0.291 184 G C -1.674 173.367 174.900 0.235 0.000 1.445 184 G CA 0.231 45.325 45.100 -0.009 0.000 0.814 184 G HN -0.148 8.224 8.290 0.135 0.000 0.495 185 D N 1.069 121.575 120.400 0.175 0.000 1.989 185 D HA -0.172 nan 4.640 nan 0.000 0.259 185 D C 0.329 176.727 176.300 0.163 0.000 0.992 185 D CA 0.211 54.300 54.000 0.148 0.000 0.912 185 D CB 0.819 41.674 40.800 0.093 0.000 1.083 185 D HN -0.192 8.258 8.370 0.133 0.000 0.441 186 N N -1.009 117.701 118.700 0.018 0.000 2.167 186 N HA -0.236 nan 4.740 nan 0.000 0.258 186 N C 0.851 176.390 175.510 0.048 0.000 1.241 186 N CA 0.443 53.510 53.050 0.029 0.000 0.829 186 N CB 0.549 39.045 38.487 0.014 0.000 1.072 186 N HN 0.155 8.538 8.380 0.004 0.000 0.466 187 V N -0.616 119.339 119.914 0.070 0.000 2.834 187 V HA 0.396 nan 4.120 nan 0.000 0.313 187 V C -0.900 175.292 176.094 0.163 0.000 1.060 187 V CA -2.631 59.734 62.300 0.109 0.000 0.989 187 V CB 1.368 33.243 31.823 0.086 0.000 1.041 187 V HN 0.248 8.350 8.190 0.062 0.126 0.459 188 H N 1.092 120.160 119.070 -0.002 0.000 3.001 188 H HA -0.213 nan 4.556 nan 0.000 0.334 188 H C -1.041 174.288 175.328 0.002 0.000 1.034 188 H CA 1.103 57.140 56.048 -0.019 0.000 1.420 188 H CB 0.833 30.587 29.762 -0.013 0.000 1.405 188 H HN -0.023 8.676 8.280 0.295 -0.241 0.593 189 D N 0.019 120.465 120.400 0.078 0.000 2.798 189 D HA 0.034 nan 4.640 nan 0.000 0.265 189 D C -2.222 174.076 176.300 -0.003 0.000 1.223 189 D CA -0.360 53.669 54.000 0.049 0.000 0.743 189 D CB 2.302 43.118 40.800 0.028 0.000 1.276 189 D HN -0.156 8.214 8.370 -0.001 0.000 0.421 190 A N -0.519 122.290 122.820 -0.020 0.000 2.293 190 A HA 0.690 nan 4.320 nan 0.000 0.302 190 A C -1.607 175.945 177.584 -0.054 0.000 1.119 190 A CA -1.270 50.735 52.037 -0.054 0.000 0.823 190 A CB 1.823 20.757 19.000 -0.110 0.000 1.097 190 A HN 0.251 8.395 8.150 -0.010 0.000 0.491 191 c N -0.501 118.091 118.600 -0.014 0.000 3.205 191 c HA 0.470 nan 4.570 nan 0.000 0.372 191 c C -1.108 173.013 174.090 0.052 0.000 1.892 191 c CA -1.650 54.691 56.329 0.020 0.000 1.516 191 c CB 3.354 45.902 42.510 0.063 0.000 2.371 191 c HN 0.566 9.161 8.230 0.002 -0.363 0.468 192 Q N 1.713 121.573 119.800 0.099 0.000 2.300 192 Q HA -0.132 nan 4.340 nan 0.000 0.280 192 Q C 0.797 176.948 176.000 0.253 0.000 1.033 192 Q CA 2.067 57.965 55.803 0.160 0.000 0.903 192 Q CB -0.042 28.801 28.738 0.175 0.000 1.195 192 Q HN 0.704 9.030 8.270 0.092 0.000 0.386 193 G N 4.341 113.247 108.800 0.176 0.000 2.213 193 G HA2 -0.342 nan 3.960 nan 0.000 0.226 193 G HA3 -0.342 nan 3.960 nan 0.000 0.226 193 G C -0.251 174.713 174.900 0.107 0.000 0.992 193 G CA 0.614 45.757 45.100 0.071 0.000 0.632 193 G HN 0.732 9.107 8.290 0.142 0.000 0.511 194 D N 0.776 121.212 120.400 0.060 0.000 2.305 194 D HA 0.039 nan 4.640 nan 0.000 0.206 194 D C 0.366 176.638 176.300 -0.046 0.000 0.974 194 D CA 1.318 55.328 54.000 0.017 0.000 0.871 194 D CB 0.763 41.553 40.800 -0.018 0.000 0.947 194 D HN -0.266 8.067 8.370 0.062 0.075 0.516 195 S N -0.907 114.749 115.700 -0.074 0.000 2.571 195 S HA -0.295 nan 4.470 nan 0.000 0.298 195 S C 1.169 175.632 174.600 -0.228 0.000 1.280 195 S CA 2.436 60.536 58.200 -0.168 0.000 1.052 195 S CB -0.168 62.903 63.200 -0.215 0.000 0.799 195 S HN -0.095 8.202 8.310 -0.022 0.000 0.501 196 G N 4.262 112.922 108.800 -0.233 0.000 2.234 196 G HA2 -0.424 nan 3.960 nan 0.000 0.260 196 G HA3 -0.424 nan 3.960 nan 0.000 0.260 196 G C -0.698 174.158 174.900 -0.073 0.000 0.987 196 G CA 0.345 45.330 45.100 -0.191 0.000 0.625 196 G HN 0.534 8.688 8.290 -0.228 0.000 0.532 197 G N 0.456 109.229 108.800 -0.046 0.000 2.599 197 G HA2 0.263 nan 3.960 nan 0.000 0.264 197 G HA3 0.263 nan 3.960 nan 0.000 0.264 197 G C -2.646 172.302 174.900 0.081 0.000 1.200 197 G CA -2.055 43.061 45.100 0.026 0.000 0.896 197 G HN -0.325 7.815 8.290 -0.079 0.103 0.536 198 P HA 0.548 nan 4.420 nan 0.000 0.281 198 P C -2.125 175.295 177.300 0.200 0.000 1.264 198 P CA -0.899 62.311 63.100 0.184 0.000 0.824 198 P CB 1.800 33.669 31.700 0.282 0.000 1.092 199 L N 0.926 122.238 121.223 0.149 0.000 2.492 199 L HA 0.468 nan 4.340 nan 0.000 0.258 199 L C -2.345 174.531 176.870 0.010 0.000 1.028 199 L CA -0.694 54.191 54.840 0.074 0.000 0.900 199 L CB 1.432 43.434 42.059 -0.094 0.000 1.191 199 L HN -0.402 7.892 8.230 0.107 0.000 0.459 200 V N 1.292 121.237 119.914 0.052 0.000 2.472 200 V HA 0.783 nan 4.120 nan 0.000 0.290 200 V C -1.289 174.804 176.094 -0.002 0.000 1.037 200 V CA -3.275 59.014 62.300 -0.019 0.000 0.908 200 V CB 1.557 33.352 31.823 -0.048 0.000 0.985 200 V HN 0.357 8.627 8.190 0.133 0.000 0.454 201 c N 5.243 123.815 118.600 -0.047 0.000 2.563 201 c HA 0.628 nan 4.570 nan 0.000 0.314 201 c C -0.940 173.124 174.090 -0.044 0.000 1.199 201 c CA -1.604 54.706 56.329 -0.032 0.000 1.564 201 c CB 2.796 45.281 42.510 -0.042 0.000 2.173 201 c HN 0.385 8.567 8.230 -0.081 0.000 0.485 202 M N 3.249 122.829 119.600 -0.033 0.000 2.219 202 M HA -0.012 nan 4.480 nan 0.000 0.353 202 M C -1.549 174.736 176.300 -0.026 0.000 1.304 202 M CA 1.412 56.691 55.300 -0.035 0.000 1.115 202 M CB 0.964 33.539 32.600 -0.042 0.000 1.664 202 M HN 0.552 8.827 8.290 -0.026 0.000 0.459 203 N N 5.970 124.663 118.700 -0.011 0.000 2.503 203 N HA 0.085 nan 4.740 nan 0.000 0.287 203 N C -1.596 173.932 175.510 0.029 0.000 1.096 203 N CA 0.765 53.813 53.050 -0.003 0.000 0.936 203 N CB 1.993 40.469 38.487 -0.018 0.000 1.570 203 N HN 0.228 8.607 8.380 -0.001 0.000 0.504 204 D N 4.269 124.687 120.400 0.030 0.000 2.870 204 D HA -0.295 nan 4.640 nan 0.000 0.228 204 D C -1.211 175.172 176.300 0.138 0.000 1.147 204 D CA 1.483 55.520 54.000 0.061 0.000 0.757 204 D CB -1.083 39.744 40.800 0.044 0.000 1.091 204 D HN 0.568 8.945 8.370 0.012 0.000 0.429 205 N N -6.238 112.501 118.700 0.065 0.000 2.850 205 N HA -0.342 nan 4.740 nan 0.000 0.249 205 N C -1.642 173.772 175.510 -0.161 0.000 1.060 205 N CA 1.220 54.262 53.050 -0.015 0.000 0.825 205 N CB -0.409 38.065 38.487 -0.023 0.000 1.132 205 N HN 0.319 8.691 8.380 0.029 0.026 0.564 206 H N -3.358 115.690 119.070 -0.037 0.000 2.771 206 H HA 0.269 nan 4.556 nan 0.000 0.361 206 H C -1.439 173.834 175.328 -0.092 0.000 1.108 206 H CA -1.185 54.834 56.048 -0.049 0.000 1.201 206 H CB 2.925 32.657 29.762 -0.050 0.000 1.681 206 H HN -0.572 7.644 8.280 0.131 0.143 0.534 207 M N 2.801 122.368 119.600 -0.055 0.000 2.246 207 M HA 0.091 nan 4.480 nan 0.000 0.350 207 M C -0.476 175.684 176.300 -0.233 0.000 1.406 207 M CA -0.983 54.205 55.300 -0.186 0.000 1.089 207 M CB -1.014 31.358 32.600 -0.379 0.000 1.782 207 M HN 0.324 8.467 8.290 -0.054 0.114 0.457 208 T N 5.545 119.995 114.554 -0.174 0.000 2.855 208 T HA 0.595 nan 4.350 nan 0.000 0.281 208 T C -1.658 172.935 174.700 -0.177 0.000 1.007 208 T CA -0.408 61.600 62.100 -0.154 0.000 1.009 208 T CB 2.023 70.841 68.868 -0.085 0.000 0.983 208 T HN 0.618 8.778 8.240 -0.132 0.000 0.455 209 L N 5.541 126.662 121.223 -0.169 0.000 2.360 209 L HA 0.266 nan 4.340 nan 0.000 0.276 209 L C -1.445 175.385 176.870 -0.067 0.000 1.121 209 L CA 0.734 55.496 54.840 -0.129 0.000 0.845 209 L CB 0.980 42.980 42.059 -0.099 0.000 1.143 209 L HN 0.548 8.685 8.230 -0.154 0.000 0.452 210 L N 5.822 127.012 121.223 -0.055 0.000 2.577 210 L HA 0.433 nan 4.340 nan 0.000 0.225 210 L C -1.086 175.772 176.870 -0.020 0.000 1.053 210 L CA -0.459 54.353 54.840 -0.047 0.000 0.866 210 L CB 2.961 44.972 42.059 -0.079 0.000 1.132 210 L HN 0.902 9.097 8.230 -0.058 0.000 0.486 211 G N -4.714 104.088 108.800 0.002 0.000 2.677 211 G HA2 0.427 nan 3.960 nan 0.000 0.291 211 G HA3 0.427 nan 3.960 nan 0.000 0.291 211 G C -3.139 171.854 174.900 0.155 0.000 1.435 211 G CA -0.121 45.026 45.100 0.080 0.000 0.826 211 G HN -0.800 7.489 8.290 -0.002 0.000 0.491 212 I N -0.156 120.504 120.570 0.150 0.000 2.404 212 I HA 0.425 nan 4.170 nan 0.000 0.293 212 I C -0.211 175.929 176.117 0.040 0.000 0.992 212 I CA -1.483 59.865 61.300 0.080 0.000 1.149 212 I CB 3.097 41.082 38.000 -0.025 0.000 1.315 212 I HN -0.212 8.078 8.210 0.133 0.000 0.446 213 I N 7.090 127.631 120.570 -0.048 0.000 2.769 213 I HA -0.365 nan 4.170 nan 0.000 0.285 213 I C -0.590 175.379 176.117 -0.247 0.000 1.173 213 I CA 2.071 63.178 61.300 -0.323 0.000 1.389 213 I CB -1.619 36.220 38.000 -0.267 0.000 1.404 213 I HN 0.582 8.797 8.210 0.008 0.000 0.544 214 S N 9.138 124.678 115.700 -0.266 0.000 2.783 214 S HA 0.333 nan 4.470 nan 0.000 0.205 214 S C -0.485 174.107 174.600 -0.013 0.000 0.910 214 S CA 0.565 58.738 58.200 -0.044 0.000 0.861 214 S CB 1.647 64.905 63.200 0.096 0.000 0.830 214 S HN -0.078 7.955 8.310 -0.462 0.000 0.630 215 W N -3.134 117.954 121.300 -0.353 0.000 3.003 215 W HA 0.244 nan 4.660 nan 0.000 0.362 215 W C -2.813 173.539 176.519 -0.277 0.000 1.213 215 W CA -0.797 56.296 57.345 -0.420 0.000 1.157 215 W CB 1.940 31.027 29.460 -0.622 0.000 1.493 215 W HN -0.235 7.718 8.180 -0.377 0.000 0.589 216 G N -3.745 105.099 108.800 0.073 0.000 2.473 216 G HA2 0.020 nan 3.960 nan 0.000 0.298 216 G HA3 0.020 nan 3.960 nan 0.000 0.298 216 G C -1.999 172.946 174.900 0.075 0.000 1.575 216 G CA 0.062 45.107 45.100 -0.092 0.000 0.846 216 G HN -0.151 8.288 8.290 0.249 0.000 0.585 220 c N 2.028 120.616 118.600 -0.021 0.000 3.177 220 c HA 0.157 nan 4.570 nan 0.000 0.264 220 c C -1.582 172.515 174.090 0.011 0.000 2.151 220 c CA -1.078 55.247 56.329 -0.007 0.000 1.254 220 c CB -0.944 41.571 42.510 0.009 0.000 2.264 220 c HN 0.208 8.429 8.230 -0.015 0.000 0.571 221 E N -0.880 119.353 120.200 0.055 0.000 2.649 221 E HA 0.097 nan 4.350 nan 0.000 0.308 221 E C -1.294 175.367 176.600 0.101 0.000 1.017 221 E CA -0.180 56.270 56.400 0.082 0.000 0.848 221 E CB 3.060 32.825 29.700 0.109 0.000 1.240 221 E HN -0.081 8.304 8.360 0.041 0.000 0.421 222 K N 5.652 126.110 120.400 0.096 0.000 2.491 222 K HA -0.255 nan 4.320 nan 0.000 0.279 222 K C -0.574 176.105 176.600 0.133 0.000 1.026 222 K CA 1.826 58.173 56.287 0.100 0.000 1.070 222 K CB -0.228 32.318 32.500 0.077 0.000 0.887 222 K HN 0.594 8.895 8.250 0.085 0.000 0.481 223 D N -2.285 118.210 120.400 0.158 0.000 3.079 223 D HA -0.411 nan 4.640 nan 0.000 0.214 223 D C -0.669 175.777 176.300 0.244 0.000 1.145 223 D CA 1.028 55.157 54.000 0.216 0.000 0.958 223 D CB -0.850 40.054 40.800 0.174 0.000 1.117 223 D HN 0.542 9.002 8.370 0.150 0.000 0.416 224 V N 1.955 121.980 119.914 0.186 0.000 2.334 224 V HA 0.311 nan 4.120 nan 0.000 0.281 224 V C -2.771 173.312 176.094 -0.019 0.000 1.016 224 V CA -2.998 59.402 62.300 0.166 0.000 0.832 224 V CB 1.265 33.245 31.823 0.261 0.000 0.999 224 V HN -0.557 7.675 8.190 0.157 0.052 0.439 225 P HA 0.195 nan 4.420 nan 0.000 0.274 225 P C -1.204 175.914 177.300 -0.302 0.000 1.231 225 P CA -0.787 61.998 63.100 -0.525 0.000 0.790 225 P CB 1.111 32.128 31.700 -1.139 0.000 0.951 226 G N -0.462 108.210 108.800 -0.214 0.000 2.420 226 G HA2 0.199 nan 3.960 nan 0.000 0.284 226 G HA3 0.199 nan 3.960 nan 0.000 0.284 226 G C -1.390 173.376 174.900 -0.223 0.000 1.177 226 G CA -0.850 44.124 45.100 -0.211 0.000 0.841 226 G HN 0.107 8.202 8.290 -0.168 0.095 0.527 227 V N 2.770 122.318 119.914 -0.609 0.000 2.481 227 V HA 0.602 nan 4.120 nan 0.000 0.286 227 V C -0.826 175.011 176.094 -0.428 0.000 1.042 227 V CA -0.722 61.190 62.300 -0.646 0.000 0.928 227 V CB 0.384 31.245 31.823 -1.604 0.000 0.986 227 V HN 0.087 7.796 8.190 -0.801 0.000 0.462 228 Y N 4.437 124.574 120.300 -0.271 0.000 2.576 228 Y HA 0.451 nan 4.550 nan 0.000 0.346 228 Y C -0.373 175.506 175.900 -0.036 0.000 1.018 228 Y CA -2.425 55.596 58.100 -0.131 0.000 1.050 228 Y CB 4.203 42.602 38.460 -0.103 0.000 1.280 228 Y HN 0.667 8.920 8.280 0.130 0.105 0.474 229 T N 3.585 118.225 114.554 0.143 0.000 2.851 229 T HA 0.054 nan 4.350 nan 0.000 0.298 229 T C -0.559 174.228 174.700 0.145 0.000 0.977 229 T CA 0.692 62.856 62.100 0.106 0.000 1.126 229 T CB -0.166 68.676 68.868 -0.044 0.000 0.916 229 T HN 0.554 8.859 8.240 0.108 0.000 0.529 230 K N 7.667 128.186 120.400 0.199 0.000 2.167 230 K HA 0.055 nan 4.320 nan 0.000 0.275 230 K C 1.193 177.938 176.600 0.243 0.000 1.103 230 K CA -0.612 55.775 56.287 0.167 0.000 0.963 230 K CB -0.155 32.418 32.500 0.122 0.000 1.243 230 K HN 0.521 8.814 8.250 0.241 0.102 0.407 231 V N 6.120 126.141 119.914 0.178 0.000 2.380 231 V HA -0.450 nan 4.120 nan 0.000 0.251 231 V C 1.665 177.859 176.094 0.168 0.000 1.063 231 V CA 3.705 66.125 62.300 0.199 0.000 1.055 231 V CB -0.683 31.205 31.823 0.108 0.000 0.657 231 V HN 0.199 8.460 8.190 0.119 0.000 0.455 232 T N -3.497 111.106 114.554 0.081 0.000 2.929 232 T HA -0.292 nan 4.350 nan 0.000 0.271 232 T C 2.159 176.851 174.700 -0.013 0.000 1.085 232 T CA 3.293 65.412 62.100 0.032 0.000 1.125 232 T CB -0.587 68.282 68.868 0.001 0.000 0.874 232 T HN 0.406 8.671 8.240 0.065 0.014 0.494 233 N N 1.727 120.384 118.700 -0.072 0.000 2.494 233 N HA -0.081 nan 4.740 nan 0.000 0.182 233 N C 0.255 175.432 175.510 -0.555 0.000 1.076 233 N CA 1.597 54.452 53.050 -0.324 0.000 0.908 233 N CB 0.308 38.510 38.487 -0.475 0.000 0.967 233 N HN -0.030 8.217 8.380 0.009 0.138 0.449 234 Y N -4.028 116.318 120.300 0.077 0.000 2.696 234 Y HA 0.186 nan 4.550 nan 0.000 0.260 234 Y C -0.030 175.999 175.900 0.216 0.000 1.165 234 Y CA -1.232 56.961 58.100 0.155 0.000 1.189 234 Y CB -0.080 38.433 38.460 0.089 0.000 1.180 234 Y HN -0.078 8.078 8.280 0.119 0.195 0.538 235 L N 0.122 121.461 121.223 0.192 0.000 2.141 235 L HA -0.361 nan 4.340 nan 0.000 0.209 235 L C 2.018 178.972 176.870 0.139 0.000 1.094 235 L CA 3.063 57.991 54.840 0.147 0.000 0.763 235 L CB -0.542 41.559 42.059 0.069 0.000 0.908 235 L HN -0.691 7.603 8.230 0.107 0.000 0.437 236 G N -1.540 107.345 108.800 0.141 0.000 2.434 236 G HA2 -0.350 nan 3.960 nan 0.000 0.214 236 G HA3 -0.350 nan 3.960 nan 0.000 0.214 236 G C 0.750 175.756 174.900 0.177 0.000 1.202 236 G CA 1.561 46.732 45.100 0.119 0.000 0.788 236 G HN -0.186 8.162 8.290 0.123 0.016 0.539 237 W N 2.215 123.574 121.300 0.098 0.000 2.304 237 W HA -0.421 nan 4.660 nan 0.000 0.315 237 W C 1.412 177.989 176.519 0.096 0.000 1.233 237 W CA 2.934 60.360 57.345 0.135 0.000 1.261 237 W CB 0.085 29.729 29.460 0.306 0.000 1.150 237 W HN -0.381 8.063 8.180 0.441 0.000 0.494 238 I N -2.223 118.562 120.570 0.358 0.000 2.113 238 I HA -0.723 nan 4.170 nan 0.000 0.238 238 I C 1.867 177.884 176.117 -0.166 0.000 1.070 238 I CA 3.951 65.293 61.300 0.071 0.000 1.332 238 I CB -0.316 37.808 38.000 0.207 0.000 1.044 238 I HN -0.107 8.436 8.210 0.560 0.003 0.402 239 R N -0.597 119.858 120.500 -0.075 0.000 2.119 239 R HA -0.529 nan 4.340 nan 0.000 0.246 239 R C 1.144 177.343 176.300 -0.167 0.000 1.146 239 R CA 3.745 59.773 56.100 -0.120 0.000 0.962 239 R CB -0.212 30.054 30.300 -0.056 0.000 0.863 239 R HN -0.095 8.188 8.270 0.021 0.000 0.442 240 D N -3.718 116.581 120.400 -0.168 0.000 2.096 240 D HA -0.100 nan 4.640 nan 0.000 0.214 240 D C 2.078 178.239 176.300 -0.233 0.000 0.974 240 D CA 2.373 56.267 54.000 -0.178 0.000 0.890 240 D CB -0.057 40.642 40.800 -0.167 0.000 1.016 240 D HN -0.440 7.838 8.370 -0.135 0.011 0.447 241 N N -0.858 117.610 118.700 -0.387 0.000 2.396 241 N HA -0.407 nan 4.740 nan 0.000 0.191 241 N C 0.165 175.515 175.510 -0.267 0.000 1.015 241 N CA 1.798 54.633 53.050 -0.359 0.000 0.893 241 N CB 0.255 38.310 38.487 -0.721 0.000 0.956 241 N HN -0.507 7.561 8.380 -0.521 0.000 0.445 242 M N -0.465 118.848 119.600 -0.477 0.000 2.209 242 M HA 0.054 nan 4.480 nan 0.000 0.355 242 M C -1.724 174.358 176.300 -0.363 0.000 1.171 242 M CA -0.457 54.272 55.300 -0.951 0.000 1.069 242 M CB 1.621 33.587 32.600 -1.057 0.000 1.622 242 M HN -0.347 7.626 8.290 -0.425 0.062 0.459 243 H N 4.824 123.678 119.070 -0.361 0.000 3.138 243 H HA -0.103 nan 4.556 nan 0.000 0.275 243 H C -1.024 174.213 175.328 -0.152 0.000 0.997 243 H CA 0.663 56.636 56.048 -0.125 0.000 1.460 243 H CB -0.778 29.017 29.762 0.056 0.000 1.524 243 H HN 0.248 8.311 8.280 -0.362 0.000 0.532 244 L N 0.000 121.200 121.223 -0.038 0.000 2.949 244 L HA 0.000 nan 4.340 nan 0.000 0.249 244 L CA 0.000 54.803 54.840 -0.061 0.000 0.813 244 L CB 0.000 42.002 42.059 -0.095 0.000 0.961 244 L HN 0.000 8.195 8.230 -0.059 0.000 0.502