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 3jy6_1_C DATA FIRST_RESID 68 DATA SEQUENCE KLIAVIVANI DDYFSTELFK GISSILESRG YIGVLFDANA DIEREKTLLR DATA SEQUENCE AIGSRGFDGL ILQSFSNPQT VQEILHQQMP VVSVDREMDA CPWPQVVTDN DATA SEQUENCE FEAAKAATTA FXQQGYQHVV VLTSELELSR TRQERYRGIL AAAQDVDVLE DATA SEQUENCE VSESSYNHSE VHQRLTQLIT XXXXKTVAFA LKERWLLEFF PNLIISGLID DATA SEQUENCE NQTVTATGFA DTDFIRRMXX KLTLITQNPF LMGASSAEIM LRQLAGEKVA DATA SEQUENCE PEKMVIPAKL Q 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 68 K HA 0.000 nan 4.320 nan 0.000 0.191 68 K C 0.000 176.646 176.600 0.077 0.000 0.988 68 K CA 0.000 56.241 56.287 -0.077 0.000 0.838 68 K CB 0.000 32.244 32.500 -0.427 0.000 1.064 69 L N 3.338 124.592 121.223 0.052 0.000 2.309 69 L HA 0.587 4.927 4.340 -0.000 0.000 0.282 69 L C -0.130 176.915 176.870 0.292 0.000 1.036 69 L CA -1.208 53.694 54.840 0.102 0.000 0.806 69 L CB 0.970 42.913 42.059 -0.192 0.000 1.220 69 L HN 0.290 nan 8.230 nan 0.000 0.429 70 I N 2.384 123.146 120.570 0.319 0.000 2.406 70 I HA 0.449 4.619 4.170 -0.000 0.000 0.290 70 I C 0.361 176.680 176.117 0.336 0.000 0.999 70 I CA -0.499 60.957 61.300 0.260 0.000 1.124 70 I CB 1.682 39.730 38.000 0.080 0.000 1.289 70 I HN 0.616 nan 8.210 nan 0.000 0.441 71 A N 6.549 129.533 122.820 0.273 0.000 2.331 71 A HA 0.667 4.986 4.320 -0.000 0.000 0.283 71 A C -0.363 177.306 177.584 0.142 0.000 1.142 71 A CA -0.365 51.802 52.037 0.217 0.000 0.812 71 A CB 0.764 19.645 19.000 -0.198 0.000 1.074 71 A HN 0.461 nan 8.150 nan 0.000 0.497 72 V N 4.625 124.697 119.914 0.263 0.000 2.357 72 V HA 0.257 4.377 4.120 -0.000 0.000 0.281 72 V C -0.403 175.785 176.094 0.158 0.000 1.015 72 V CA -0.036 62.374 62.300 0.183 0.000 0.827 72 V CB 0.817 32.840 31.823 0.335 0.000 1.018 72 V HN 0.742 nan 8.190 nan 0.000 0.432 73 I N 5.924 126.514 120.570 0.035 0.000 2.312 73 I HA 0.435 4.605 4.170 -0.000 0.000 0.291 73 I C 0.165 176.271 176.117 -0.019 0.000 1.031 73 I CA -0.547 60.759 61.300 0.009 0.000 1.293 73 I CB 1.581 39.522 38.000 -0.099 0.000 1.403 73 I HN 0.505 nan 8.210 nan 0.000 0.484 74 V N 3.304 123.212 119.914 -0.011 0.000 2.732 74 V HA 0.642 4.762 4.120 -0.000 0.000 0.310 74 V C 0.977 177.038 176.094 -0.055 0.000 1.053 74 V CA -0.364 61.916 62.300 -0.035 0.000 0.957 74 V CB 1.558 33.366 31.823 -0.024 0.000 1.018 74 V HN 0.813 nan 8.190 nan 0.000 0.452 75 A N 2.064 124.816 122.820 -0.113 0.000 1.908 75 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 75 A C 1.089 178.707 177.584 0.057 0.000 1.181 75 A CA 2.084 54.032 52.037 -0.147 0.000 0.627 75 A CB -0.603 18.216 19.000 -0.302 0.000 0.818 75 A HN 1.125 nan 8.150 nan 0.000 0.445 76 N N -1.286 117.437 118.700 0.040 0.000 2.718 76 N HA 0.137 4.877 4.740 -0.000 0.000 0.260 76 N C 0.249 175.772 175.510 0.022 0.000 1.089 76 N CA -0.010 53.069 53.050 0.048 0.000 1.021 76 N CB 0.909 39.437 38.487 0.068 0.000 1.618 76 N HN 0.206 nan 8.380 nan 0.000 0.554 77 I N -0.807 119.761 120.570 -0.003 0.000 3.010 77 I HA -0.019 4.151 4.170 -0.000 0.000 0.271 77 I C 0.595 176.712 176.117 0.000 0.000 1.293 77 I CA 0.794 62.079 61.300 -0.025 0.000 1.452 77 I CB -0.038 37.925 38.000 -0.061 0.000 1.082 77 I HN 0.231 nan 8.210 nan 0.000 0.484 78 D N 1.369 121.778 120.400 0.015 0.000 2.347 78 D HA 0.010 4.650 4.640 -0.000 0.000 0.213 78 D C 0.102 176.430 176.300 0.046 0.000 0.985 78 D CA 0.625 54.639 54.000 0.024 0.000 0.879 78 D CB 0.038 40.846 40.800 0.013 0.000 0.919 78 D HN 0.462 nan 8.370 nan 0.000 0.526 79 D N 0.162 120.598 120.400 0.059 0.000 2.277 79 D HA -0.040 4.600 4.640 -0.000 0.000 0.249 79 D C 1.000 177.394 176.300 0.157 0.000 1.134 79 D CA -0.455 53.607 54.000 0.104 0.000 0.863 79 D CB 1.243 42.107 40.800 0.107 0.000 1.143 79 D HN 0.059 nan 8.370 nan 0.000 0.458 80 Y N 3.041 123.390 120.300 0.081 0.000 2.241 80 Y HA -0.288 4.262 4.550 -0.000 0.000 0.286 80 Y C 1.753 177.725 175.900 0.119 0.000 1.166 80 Y CA 1.369 59.520 58.100 0.085 0.000 1.203 80 Y CB -0.254 38.255 38.460 0.081 0.000 0.977 80 Y HN 0.453 nan 8.280 nan 0.000 0.529 81 F N 0.143 120.096 119.950 0.005 0.000 2.126 81 F HA -0.239 4.288 4.527 -0.000 0.000 0.299 81 F C 2.450 178.185 175.800 -0.109 0.000 1.096 81 F CA 2.133 60.097 58.000 -0.060 0.000 1.255 81 F CB -0.654 38.359 39.000 0.022 0.000 0.997 81 F HN -0.017 nan 8.300 nan 0.000 0.479 82 S N -0.659 115.071 115.700 0.050 0.000 2.368 82 S HA -0.183 4.287 4.470 -0.000 0.000 0.224 82 S C 2.053 176.588 174.600 -0.109 0.000 1.029 82 S CA 1.709 59.889 58.200 -0.033 0.000 0.988 82 S CB -0.788 62.431 63.200 0.032 0.000 0.838 82 S HN 0.666 nan 8.310 nan 0.000 0.462 83 T N 0.200 114.681 114.554 -0.122 0.000 2.904 83 T HA 0.081 4.430 4.350 -0.000 0.000 0.267 83 T C 1.560 176.187 174.700 -0.123 0.000 1.059 83 T CA 0.718 62.766 62.100 -0.086 0.000 1.137 83 T CB -0.166 68.670 68.868 -0.053 0.000 0.879 83 T HN 0.122 nan 8.240 nan 0.000 0.467 84 E N 0.810 120.795 120.200 -0.358 0.000 2.152 84 E HA 0.061 4.411 4.350 -0.000 0.000 0.192 84 E C 2.089 178.519 176.600 -0.283 0.000 0.983 84 E CA 0.455 56.651 56.400 -0.340 0.000 0.818 84 E CB -0.298 29.032 29.700 -0.618 0.000 0.758 84 E HN 0.465 nan 8.360 nan 0.000 0.467 85 L N 0.181 121.172 121.223 -0.387 0.000 2.046 85 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 85 L C 2.237 178.960 176.870 -0.245 0.000 1.077 85 L CA 1.378 55.985 54.840 -0.388 0.000 0.747 85 L CB -0.472 41.326 42.059 -0.436 0.000 0.896 85 L HN 0.016 nan 8.230 nan 0.000 0.432 86 F N 0.498 120.285 119.950 -0.270 0.000 2.134 86 F HA -0.186 4.341 4.527 -0.000 0.000 0.299 86 F C 2.340 178.013 175.800 -0.211 0.000 1.097 86 F CA 1.746 59.626 58.000 -0.200 0.000 1.264 86 F CB -0.259 38.659 39.000 -0.136 0.000 1.001 86 F HN -0.003 nan 8.300 nan 0.000 0.479 87 K N -0.275 120.023 120.400 -0.169 0.000 2.209 87 K HA -0.111 4.209 4.320 -0.000 0.000 0.204 87 K C 2.305 178.595 176.600 -0.518 0.000 1.048 87 K CA 1.039 57.208 56.287 -0.196 0.000 0.940 87 K CB -0.780 31.781 32.500 0.101 0.000 0.729 87 K HN 0.460 nan 8.250 nan 0.000 0.451 88 G N 1.406 109.646 108.800 -0.933 0.000 2.394 88 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.215 88 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.215 88 G C 1.505 175.950 174.900 -0.758 0.000 1.165 88 G CA 0.383 44.565 45.100 -1.529 0.000 0.784 88 G HN 0.109 nan 8.290 nan 0.000 0.535 89 I N 0.971 121.196 120.570 -0.575 0.000 2.142 89 I HA -0.180 3.990 4.170 -0.000 0.000 0.240 89 I C 3.029 178.890 176.117 -0.426 0.000 1.078 89 I CA 1.216 62.252 61.300 -0.439 0.000 1.343 89 I CB -0.287 37.475 38.000 -0.397 0.000 1.046 89 I HN 0.090 nan 8.210 nan 0.000 0.405 90 S N 0.085 115.438 115.700 -0.579 0.000 2.382 90 S HA -0.222 4.248 4.470 -0.000 0.000 0.228 90 S C 2.183 176.643 174.600 -0.233 0.000 1.027 90 S CA 1.716 59.658 58.200 -0.431 0.000 0.991 90 S CB -0.352 62.536 63.200 -0.520 0.000 0.823 90 S HN 0.509 nan 8.310 nan 0.000 0.469 91 S N 1.192 116.756 115.700 -0.227 0.000 2.365 91 S HA -0.120 4.350 4.470 -0.000 0.000 0.225 91 S C 1.753 176.312 174.600 -0.069 0.000 1.039 91 S CA 1.194 59.342 58.200 -0.087 0.000 1.033 91 S CB -0.331 62.864 63.200 -0.008 0.000 0.887 91 S HN 0.360 nan 8.310 nan 0.000 0.447 92 I N 1.257 121.754 120.570 -0.121 0.000 2.400 92 I HA 0.027 4.197 4.170 -0.000 0.000 0.248 92 I C 2.290 178.375 176.117 -0.053 0.000 1.109 92 I CA 0.797 62.049 61.300 -0.079 0.000 1.425 92 I CB -1.394 36.539 38.000 -0.111 0.000 1.094 92 I HN 0.347 nan 8.210 nan 0.000 0.425 93 L N 0.442 121.618 121.223 -0.078 0.000 2.191 93 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 93 L C 2.227 179.133 176.870 0.060 0.000 1.103 93 L CA 1.075 55.914 54.840 -0.001 0.000 0.769 93 L CB -0.450 41.593 42.059 -0.026 0.000 0.908 93 L HN 0.255 nan 8.230 nan 0.000 0.438 94 E N -0.385 119.817 120.200 0.002 0.000 2.482 94 E HA -0.090 4.259 4.350 -0.000 0.000 0.196 94 E C 2.184 178.793 176.600 0.015 0.000 1.047 94 E CA 0.985 57.390 56.400 0.008 0.000 0.869 94 E CB 0.175 29.868 29.700 -0.013 0.000 0.836 94 E HN 0.469 nan 8.360 nan 0.000 0.520 95 S N 0.208 115.921 115.700 0.021 0.000 2.496 95 S HA 0.048 4.518 4.470 -0.000 0.000 0.224 95 S C 1.555 176.177 174.600 0.037 0.000 0.996 95 S CA 0.111 58.324 58.200 0.022 0.000 0.927 95 S CB 0.267 63.477 63.200 0.017 0.000 0.774 95 S HN 0.015 nan 8.310 nan 0.000 0.524 96 R N 0.073 120.618 120.500 0.075 0.000 2.565 96 R HA 0.314 4.654 4.340 -0.000 0.000 0.347 96 R C 1.187 177.524 176.300 0.063 0.000 1.010 96 R CA 0.521 56.686 56.100 0.109 0.000 1.126 96 R CB 0.383 30.804 30.300 0.202 0.000 1.331 96 R HN 0.561 nan 8.270 nan 0.000 0.552 97 G N 0.815 109.619 108.800 0.006 0.000 2.157 97 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.248 97 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.248 97 G C -0.220 174.559 174.900 -0.203 0.000 0.979 97 G CA 0.038 45.070 45.100 -0.112 0.000 0.650 97 G HN 0.280 nan 8.290 nan 0.000 0.529 98 Y N -0.462 119.820 120.300 -0.031 0.000 2.403 98 Y HA 0.723 5.273 4.550 -0.000 0.000 0.323 98 Y C 1.015 176.894 175.900 -0.034 0.000 1.226 98 Y CA -0.808 57.275 58.100 -0.029 0.000 1.235 98 Y CB 1.159 39.603 38.460 -0.028 0.000 1.248 98 Y HN 0.091 nan 8.280 nan 0.000 0.489 99 I N 1.780 122.440 120.570 0.150 0.000 2.418 99 I HA 0.373 4.543 4.170 -0.000 0.000 0.287 99 I C 0.362 176.548 176.117 0.115 0.000 1.008 99 I CA -0.714 60.636 61.300 0.084 0.000 1.104 99 I CB 1.518 39.548 38.000 0.050 0.000 1.264 99 I HN 0.727 nan 8.210 nan 0.000 0.438 100 G N 5.404 114.232 108.800 0.047 0.000 2.432 100 G HA2 0.485 4.445 3.960 -0.000 0.000 0.257 100 G HA3 0.485 4.445 3.960 -0.000 0.000 0.257 100 G C -0.621 174.497 174.900 0.363 0.000 1.238 100 G CA -0.139 45.013 45.100 0.086 0.000 0.838 100 G HN 0.361 nan 8.290 nan 0.000 0.547 101 V N 3.348 123.529 119.914 0.446 0.000 2.525 101 V HA 0.276 4.396 4.120 -0.000 0.000 0.299 101 V C -0.452 175.709 176.094 0.111 0.000 1.034 101 V CA -0.800 61.668 62.300 0.279 0.000 0.863 101 V CB 1.522 33.515 31.823 0.283 0.000 0.999 101 V HN 0.700 nan 8.190 nan 0.000 0.423 102 L N 5.894 126.922 121.223 -0.325 0.000 2.276 102 L HA 0.650 4.990 4.340 -0.000 0.000 0.286 102 L C -0.996 175.595 176.870 -0.464 0.000 1.061 102 L CA 0.426 54.953 54.840 -0.521 0.000 0.807 102 L CB 0.507 41.901 42.059 -1.109 0.000 1.177 102 L HN 0.445 nan 8.230 nan 0.000 0.429 103 F N 2.667 122.513 119.950 -0.173 0.000 2.508 103 F HA 0.345 4.872 4.527 -0.000 0.000 0.325 103 F C -0.115 175.615 175.800 -0.117 0.000 1.090 103 F CA -0.709 57.214 58.000 -0.128 0.000 0.945 103 F CB 1.661 40.585 39.000 -0.126 0.000 1.156 103 F HN 0.436 nan 8.300 nan 0.000 0.463 104 D N 1.927 122.380 120.400 0.087 0.000 2.454 104 D HA 0.439 5.079 4.640 -0.000 0.000 0.225 104 D C 0.666 177.004 176.300 0.064 0.000 1.081 104 D CA -0.175 53.848 54.000 0.038 0.000 0.864 104 D CB 1.557 42.358 40.800 0.000 0.000 1.040 104 D HN 0.581 nan 8.370 nan 0.000 0.517 105 A N 4.419 127.276 122.820 0.061 0.000 2.024 105 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 105 A C 1.491 179.134 177.584 0.098 0.000 1.164 105 A CA 1.138 53.222 52.037 0.079 0.000 0.643 105 A CB -0.652 18.404 19.000 0.093 0.000 0.806 105 A HN 0.791 nan 8.150 nan 0.000 0.451 106 N N -3.144 115.609 118.700 0.089 0.000 2.725 106 N HA -0.226 4.514 4.740 -0.000 0.000 0.249 106 N C 0.383 175.958 175.510 0.108 0.000 1.103 106 N CA 1.658 54.756 53.050 0.080 0.000 0.707 106 N CB -1.733 36.786 38.487 0.053 0.000 1.043 106 N HN 1.692 nan 8.380 nan 0.000 0.553 107 A N -1.412 121.529 122.820 0.201 0.000 2.799 107 A HA -0.236 4.084 4.320 -0.000 0.000 0.287 107 A C -0.005 177.619 177.584 0.067 0.000 1.484 107 A CA 1.402 53.575 52.037 0.227 0.000 0.813 107 A CB -1.500 17.564 19.000 0.108 0.000 1.009 107 A HN 0.668 nan 8.150 nan 0.000 0.545 108 D N -1.021 119.442 120.400 0.105 0.000 2.462 108 D HA 0.486 5.126 4.640 -0.000 0.000 0.245 108 D C 0.791 177.131 176.300 0.066 0.000 1.122 108 D CA -0.287 53.742 54.000 0.048 0.000 0.864 108 D CB 0.733 41.556 40.800 0.039 0.000 1.098 108 D HN 0.275 nan 8.370 nan 0.000 0.541 109 I N 3.414 124.008 120.570 0.039 0.000 2.361 109 I HA -0.157 4.013 4.170 -0.000 0.000 0.251 109 I C 1.561 177.696 176.117 0.031 0.000 1.133 109 I CA 1.577 62.908 61.300 0.052 0.000 1.413 109 I CB 0.268 38.283 38.000 0.025 0.000 1.073 109 I HN 0.340 nan 8.210 nan 0.000 0.424 110 E N 0.088 120.298 120.200 0.017 0.000 2.216 110 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 110 E C 2.191 178.796 176.600 0.010 0.000 0.988 110 E CA 0.413 56.819 56.400 0.009 0.000 0.834 110 E CB -0.252 29.451 29.700 0.005 0.000 0.772 110 E HN 0.373 nan 8.360 nan 0.000 0.479 111 R N 1.752 122.263 120.500 0.018 0.000 2.073 111 R HA -0.049 4.290 4.340 -0.000 0.000 0.229 111 R C 1.831 178.134 176.300 0.005 0.000 1.120 111 R CA 1.477 57.588 56.100 0.018 0.000 0.967 111 R CB -0.322 29.998 30.300 0.032 0.000 0.862 111 R HN 0.095 nan 8.270 nan 0.000 0.436 112 E N 0.261 120.468 120.200 0.012 0.000 2.171 112 E HA -0.219 4.131 4.350 -0.000 0.000 0.197 112 E C 1.800 178.369 176.600 -0.053 0.000 0.997 112 E CA 1.494 57.883 56.400 -0.019 0.000 0.810 112 E CB 0.006 29.715 29.700 0.015 0.000 0.738 112 E HN 0.359 nan 8.360 nan 0.000 0.467 113 K N -0.077 120.306 120.400 -0.029 0.000 2.026 113 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 113 K C 2.483 179.052 176.600 -0.052 0.000 1.048 113 K CA 1.842 58.106 56.287 -0.039 0.000 0.929 113 K CB -0.342 32.147 32.500 -0.018 0.000 0.713 113 K HN 0.239 nan 8.250 nan 0.000 0.439 114 T N 0.772 115.304 114.554 -0.036 0.000 2.746 114 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 114 T C 2.054 176.714 174.700 -0.067 0.000 1.039 114 T CA 1.011 63.091 62.100 -0.032 0.000 1.142 114 T CB -0.555 68.308 68.868 -0.008 0.000 0.866 114 T HN 0.066 nan 8.240 nan 0.000 0.444 115 L N 0.295 121.459 121.223 -0.098 0.000 2.046 115 L HA 0.010 4.350 4.340 -0.000 0.000 0.208 115 L C 2.829 179.493 176.870 -0.343 0.000 1.077 115 L CA 1.197 55.909 54.840 -0.213 0.000 0.747 115 L CB -0.702 41.217 42.059 -0.233 0.000 0.896 115 L HN 0.230 nan 8.230 nan 0.000 0.432 116 L N -0.700 120.368 121.223 -0.259 0.000 2.083 116 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 116 L C 2.864 179.625 176.870 -0.183 0.000 1.083 116 L CA 1.169 55.857 54.840 -0.253 0.000 0.752 116 L CB -0.405 41.552 42.059 -0.170 0.000 0.899 116 L HN 0.192 nan 8.230 nan 0.000 0.433 117 R N -0.349 120.080 120.500 -0.118 0.000 2.075 117 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 117 R C 2.405 178.675 176.300 -0.050 0.000 1.126 117 R CA 1.278 57.341 56.100 -0.061 0.000 0.963 117 R CB -0.416 29.865 30.300 -0.031 0.000 0.858 117 R HN 0.344 nan 8.270 nan 0.000 0.435 118 A N 1.123 123.901 122.820 -0.070 0.000 1.930 118 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 118 A C 2.082 179.648 177.584 -0.029 0.000 1.175 118 A CA 1.036 53.064 52.037 -0.015 0.000 0.627 118 A CB -0.381 18.629 19.000 0.017 0.000 0.815 118 A HN 0.176 nan 8.150 nan 0.000 0.443 119 I N -0.356 120.067 120.570 -0.245 0.000 2.614 119 I HA -0.155 4.014 4.170 -0.000 0.000 0.258 119 I C 2.289 178.365 176.117 -0.069 0.000 1.189 119 I CA 1.022 62.081 61.300 -0.402 0.000 1.462 119 I CB -0.193 37.377 38.000 -0.717 0.000 1.092 119 I HN 0.409 nan 8.210 nan 0.000 0.442 120 G N -0.518 108.261 108.800 -0.034 0.000 2.939 120 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.210 120 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.210 120 G C 1.182 176.129 174.900 0.078 0.000 1.160 120 G CA 0.661 45.780 45.100 0.032 0.000 0.770 120 G HN 0.469 nan 8.290 nan 0.000 0.543 121 S N -1.196 114.560 115.700 0.093 0.000 2.819 121 S HA 0.375 4.845 4.470 -0.000 0.000 0.249 121 S C 0.973 175.647 174.600 0.124 0.000 1.030 121 S CA -0.568 57.688 58.200 0.092 0.000 1.052 121 S CB 0.494 63.733 63.200 0.065 0.000 1.017 121 S HN 0.049 nan 8.310 nan 0.000 0.576 122 R N 1.268 121.894 120.500 0.209 0.000 2.690 122 R HA 0.371 4.711 4.340 -0.000 0.000 0.419 122 R C 0.715 177.088 176.300 0.122 0.000 1.090 122 R CA 0.360 56.585 56.100 0.209 0.000 1.064 122 R CB 0.379 30.865 30.300 0.309 0.000 1.391 122 R HN 0.615 nan 8.270 nan 0.000 0.586 123 G N 1.459 110.316 108.800 0.096 0.000 2.326 123 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.286 123 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.286 123 G C -0.401 174.391 174.900 -0.181 0.000 1.096 123 G CA -0.138 44.940 45.100 -0.038 0.000 1.003 123 G HN 0.206 nan 8.290 nan 0.000 0.503 124 F N -0.423 119.557 119.950 0.051 0.000 2.492 124 F HA 0.548 5.074 4.527 -0.000 0.000 0.327 124 F C 0.990 176.820 175.800 0.049 0.000 1.079 124 F CA -1.011 57.026 58.000 0.062 0.000 0.967 124 F CB 1.633 40.668 39.000 0.058 0.000 1.169 124 F HN 0.008 nan 8.300 nan 0.000 0.472 125 D N 0.629 121.168 120.400 0.232 0.000 2.389 125 D HA 0.244 4.884 4.640 -0.000 0.000 0.206 125 D C 0.734 177.090 176.300 0.094 0.000 1.055 125 D CA 0.479 54.571 54.000 0.153 0.000 0.856 125 D CB 0.911 41.823 40.800 0.187 0.000 0.957 125 D HN 0.620 nan 8.370 nan 0.000 0.509 126 G N 0.208 109.070 108.800 0.104 0.000 2.645 126 G HA2 0.534 4.494 3.960 -0.000 0.000 0.292 126 G HA3 0.534 4.494 3.960 -0.000 0.000 0.292 126 G C -2.222 172.658 174.900 -0.033 0.000 1.415 126 G CA -0.588 44.508 45.100 -0.006 0.000 0.785 126 G HN 0.025 nan 8.290 nan 0.000 0.483 127 L N 0.201 121.347 121.223 -0.128 0.000 2.528 127 L HA 0.666 5.006 4.340 -0.000 0.000 0.267 127 L C -1.313 175.425 176.870 -0.220 0.000 0.961 127 L CA -0.558 54.172 54.840 -0.184 0.000 0.866 127 L CB 1.465 43.364 42.059 -0.266 0.000 1.248 127 L HN 0.489 nan 8.230 nan 0.000 0.404 128 I N 5.472 125.952 120.570 -0.150 0.000 2.339 128 I HA 0.367 4.537 4.170 -0.000 0.000 0.290 128 I C -0.964 175.070 176.117 -0.137 0.000 0.994 128 I CA -0.726 60.486 61.300 -0.146 0.000 1.191 128 I CB 1.761 39.707 38.000 -0.089 0.000 1.343 128 I HN 0.474 nan 8.210 nan 0.000 0.458 129 L N 7.145 128.266 121.223 -0.169 0.000 2.305 129 L HA 0.335 4.675 4.340 -0.000 0.000 0.284 129 L C -0.048 176.779 176.870 -0.071 0.000 1.013 129 L CA 0.326 55.086 54.840 -0.134 0.000 0.819 129 L CB 1.119 43.072 42.059 -0.176 0.000 1.227 129 L HN 0.566 nan 8.230 nan 0.000 0.417 130 Q N 3.239 122.996 119.800 -0.071 0.000 2.215 130 Q HA 0.292 4.632 4.340 -0.000 0.000 0.337 130 Q C -0.875 175.018 176.000 -0.178 0.000 0.887 130 Q CA -0.010 55.756 55.803 -0.060 0.000 1.134 130 Q CB 0.720 29.464 28.738 0.010 0.000 1.303 130 Q HN 0.845 nan 8.270 nan 0.000 0.421 131 S N -1.575 113.988 115.700 -0.228 0.000 2.993 131 S HA 0.545 5.014 4.470 -0.000 0.000 0.281 131 S C 0.359 174.651 174.600 -0.514 0.000 1.033 131 S CA -0.439 57.508 58.200 -0.421 0.000 0.950 131 S CB 0.082 63.171 63.200 -0.184 0.000 1.349 131 S HN 0.153 nan 8.310 nan 0.000 0.652 132 F N 1.129 121.092 119.950 0.021 0.000 2.704 132 F HA 0.454 4.981 4.527 -0.000 0.000 0.304 132 F C 1.306 177.122 175.800 0.027 0.000 1.094 132 F CA -0.485 57.528 58.000 0.021 0.000 1.275 132 F CB -0.258 38.748 39.000 0.011 0.000 1.073 132 F HN 0.265 nan 8.300 nan 0.000 0.586 133 S N 1.426 117.217 115.700 0.152 0.000 2.558 133 S HA -0.078 4.392 4.470 -0.000 0.000 0.293 133 S C 0.210 174.886 174.600 0.126 0.000 1.292 133 S CA -0.226 58.043 58.200 0.116 0.000 1.063 133 S CB -0.123 63.119 63.200 0.071 0.000 0.831 133 S HN 0.458 nan 8.310 nan 0.000 0.499 134 N N 3.217 121.977 118.700 0.100 0.000 2.479 134 N HA 0.305 5.044 4.740 -0.000 0.000 0.285 134 N C -2.002 173.560 175.510 0.086 0.000 1.075 134 N CA -1.653 51.442 53.050 0.074 0.000 0.967 134 N CB 1.080 39.591 38.487 0.040 0.000 1.137 134 N HN 0.064 nan 8.380 nan 0.000 0.472 135 P HA -0.258 nan 4.420 nan 0.000 0.218 135 P C 0.954 178.272 177.300 0.029 0.000 1.154 135 P CA 1.428 64.525 63.100 -0.004 0.000 0.872 135 P CB 0.149 31.638 31.700 -0.353 0.000 0.790 136 Q N -1.210 118.581 119.800 -0.015 0.000 2.096 136 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 136 Q C 2.134 178.136 176.000 0.003 0.000 0.982 136 Q CA 1.783 57.578 55.803 -0.013 0.000 0.850 136 Q CB -1.564 27.162 28.738 -0.020 0.000 0.901 136 Q HN 0.304 nan 8.270 nan 0.000 0.422 137 T N 0.897 115.463 114.554 0.021 0.000 2.788 137 T HA -0.078 4.272 4.350 -0.000 0.000 0.268 137 T C 2.084 176.788 174.700 0.007 0.000 1.044 137 T CA 1.240 63.346 62.100 0.011 0.000 1.139 137 T CB -0.101 68.781 68.868 0.023 0.000 0.867 137 T HN 0.049 nan 8.240 nan 0.000 0.454 138 V N 1.434 121.391 119.914 0.071 0.000 2.323 138 V HA -0.156 3.964 4.120 -0.000 0.000 0.244 138 V C 2.563 178.675 176.094 0.031 0.000 1.041 138 V CA 1.501 63.842 62.300 0.069 0.000 1.025 138 V CB -0.656 31.292 31.823 0.209 0.000 0.656 138 V HN 0.496 nan 8.190 nan 0.000 0.451 139 Q N 0.082 119.927 119.800 0.075 0.000 2.084 139 Q HA -0.270 4.070 4.340 -0.000 0.000 0.202 139 Q C 2.276 178.149 176.000 -0.212 0.000 0.978 139 Q CA 1.827 57.631 55.803 0.002 0.000 0.844 139 Q CB -0.240 28.520 28.738 0.037 0.000 0.898 139 Q HN 0.740 nan 8.270 nan 0.000 0.426 140 E N 1.425 121.516 120.200 -0.181 0.000 2.085 140 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 140 E C 1.611 177.963 176.600 -0.414 0.000 0.994 140 E CA 1.438 57.679 56.400 -0.265 0.000 0.801 140 E CB -0.216 29.421 29.700 -0.106 0.000 0.743 140 E HN 0.416 nan 8.360 nan 0.000 0.453 141 I N -0.305 120.119 120.570 -0.244 0.000 2.400 141 I HA -0.078 4.092 4.170 -0.000 0.000 0.248 141 I C 1.986 178.015 176.117 -0.147 0.000 1.109 141 I CA 0.679 61.881 61.300 -0.164 0.000 1.425 141 I CB -0.026 37.920 38.000 -0.090 0.000 1.094 141 I HN 0.118 nan 8.210 nan 0.000 0.425 142 L N -0.471 120.665 121.223 -0.144 0.000 2.585 142 L HA 0.149 4.489 4.340 -0.000 0.000 0.226 142 L C 0.400 177.302 176.870 0.053 0.000 1.113 142 L CA 0.016 54.835 54.840 -0.036 0.000 0.876 142 L CB -0.363 41.669 42.059 -0.046 0.000 1.072 142 L HN 0.301 nan 8.230 nan 0.000 0.468 143 H N 1.141 120.232 119.070 0.035 0.000 2.636 143 H HA -0.252 4.304 4.556 -0.000 0.000 0.312 143 H C 0.364 175.719 175.328 0.045 0.000 1.106 143 H CA 0.913 56.985 56.048 0.040 0.000 1.139 143 H CB -1.583 28.196 29.762 0.027 0.000 1.423 143 H HN 0.531 nan 8.280 nan 0.000 0.407 144 Q N -1.782 118.092 119.800 0.123 0.000 2.481 144 Q HA -0.319 4.021 4.340 -0.000 0.000 0.272 144 Q C 1.733 177.782 176.000 0.082 0.000 1.157 144 Q CA 1.246 57.113 55.803 0.106 0.000 0.935 144 Q CB -1.033 27.773 28.738 0.115 0.000 1.338 144 Q HN 0.904 nan 8.270 nan 0.000 0.494 145 Q N -0.204 119.643 119.800 0.078 0.000 2.369 145 Q HA -0.041 4.299 4.340 -0.000 0.000 0.206 145 Q C 0.859 176.884 176.000 0.042 0.000 0.963 145 Q CA 1.299 57.141 55.803 0.064 0.000 0.894 145 Q CB 0.169 28.951 28.738 0.072 0.000 0.965 145 Q HN 0.676 nan 8.270 nan 0.000 0.475 146 M N -0.771 118.841 119.600 0.020 0.000 2.531 146 M HA 0.676 5.156 4.480 -0.000 0.000 0.286 146 M C -2.888 173.391 176.300 -0.034 0.000 1.232 146 M CA -2.544 52.756 55.300 0.000 0.000 0.877 146 M CB 2.186 34.785 32.600 -0.000 0.000 1.726 146 M HN -0.302 nan 8.290 nan 0.000 0.463 147 P HA 0.313 nan 4.420 nan 0.000 0.271 147 P C -1.125 176.076 177.300 -0.165 0.000 1.218 147 P CA -0.252 62.807 63.100 -0.068 0.000 0.780 147 P CB 1.186 32.852 31.700 -0.057 0.000 0.901 148 V N 2.178 121.950 119.914 -0.238 0.000 2.876 148 V HA 0.477 4.596 4.120 -0.000 0.000 0.312 148 V C -0.047 175.767 176.094 -0.466 0.000 1.085 148 V CA -0.727 61.263 62.300 -0.517 0.000 0.945 148 V CB 2.474 33.630 31.823 -1.112 0.000 1.017 148 V HN 0.312 nan 8.190 nan 0.000 0.428 149 V N 1.872 121.509 119.914 -0.462 0.000 2.686 149 V HA 0.555 4.675 4.120 -0.000 0.000 0.306 149 V C -0.208 175.749 176.094 -0.230 0.000 1.065 149 V CA -0.442 61.714 62.300 -0.240 0.000 0.894 149 V CB 2.102 33.852 31.823 -0.123 0.000 1.004 149 V HN 0.902 nan 8.190 nan 0.000 0.424 150 S N 3.787 119.480 115.700 -0.011 0.000 2.508 150 S HA 0.786 5.256 4.470 -0.000 0.000 0.284 150 S C -0.734 173.912 174.600 0.076 0.000 1.192 150 S CA -0.401 57.855 58.200 0.093 0.000 1.070 150 S CB 1.329 64.770 63.200 0.401 0.000 1.004 150 S HN 0.554 nan 8.310 nan 0.000 0.493 151 V N 4.196 124.138 119.914 0.047 0.000 2.555 151 V HA 0.445 4.565 4.120 -0.000 0.000 0.302 151 V C 0.133 176.285 176.094 0.095 0.000 1.038 151 V CA -0.611 61.728 62.300 0.066 0.000 0.887 151 V CB 1.266 33.116 31.823 0.045 0.000 0.991 151 V HN 1.112 nan 8.190 nan 0.000 0.434 152 D N 2.384 122.859 120.400 0.125 0.000 2.708 152 D HA -0.183 4.457 4.640 -0.000 0.000 0.236 152 D C -0.005 176.309 176.300 0.023 0.000 1.146 152 D CA 0.873 54.935 54.000 0.104 0.000 0.662 152 D CB -0.195 40.712 40.800 0.179 0.000 1.059 152 D HN 0.456 nan 8.370 nan 0.000 0.428 153 R N 0.873 121.397 120.500 0.039 0.000 2.621 153 R HA 0.371 4.711 4.340 -0.000 0.000 0.292 153 R C -0.317 176.004 176.300 0.034 0.000 0.969 153 R CA -0.599 55.517 56.100 0.027 0.000 0.887 153 R CB 1.458 31.788 30.300 0.049 0.000 1.180 153 R HN 0.226 nan 8.270 nan 0.000 0.450 154 E N 3.453 123.667 120.200 0.022 0.000 2.014 154 E HA 0.255 4.605 4.350 -0.000 0.000 0.275 154 E C -0.179 176.431 176.600 0.016 0.000 0.997 154 E CA -0.140 56.273 56.400 0.021 0.000 0.804 154 E CB 1.627 31.336 29.700 0.015 0.000 1.090 154 E HN 0.307 nan 8.360 nan 0.000 0.401 155 M N 1.660 121.267 119.600 0.011 0.000 2.852 155 M HA 0.331 4.811 4.480 -0.000 0.000 0.301 155 M C -1.158 175.125 176.300 -0.028 0.000 1.229 155 M CA -0.591 54.704 55.300 -0.008 0.000 0.832 155 M CB 1.793 34.384 32.600 -0.014 0.000 1.726 155 M HN 0.228 nan 8.290 nan 0.000 0.497 156 D N -0.281 120.089 120.400 -0.049 0.000 2.581 156 D HA 0.584 5.224 4.640 -0.000 0.000 0.232 156 D C -0.821 175.425 176.300 -0.091 0.000 1.143 156 D CA 0.357 54.322 54.000 -0.058 0.000 0.881 156 D CB 1.858 42.631 40.800 -0.045 0.000 1.500 156 D HN 0.833 nan 8.370 nan 0.000 0.458 157 A N 0.480 123.244 122.820 -0.093 0.000 2.704 157 A HA -0.202 4.118 4.320 -0.000 0.000 0.299 157 A C 0.424 177.890 177.584 -0.197 0.000 1.507 157 A CA 0.636 52.601 52.037 -0.120 0.000 0.776 157 A CB -2.125 16.815 19.000 -0.101 0.000 1.027 157 A HN 0.565 nan 8.150 nan 0.000 0.475 158 C N 1.453 120.616 119.300 -0.227 0.000 2.394 158 C HA 0.582 5.042 4.460 -0.000 0.000 0.362 158 C C -0.315 174.394 174.990 -0.469 0.000 1.268 158 C CA -1.048 57.721 59.018 -0.415 0.000 1.828 158 C CB 0.323 27.865 27.740 -0.330 0.000 2.442 158 C HN 0.590 nan 8.230 nan 0.000 0.549 159 P HA 0.146 nan 4.420 nan 0.000 0.256 159 P C -0.887 176.300 177.300 -0.189 0.000 1.335 159 P CA 0.499 63.345 63.100 -0.422 0.000 0.808 159 P CB -0.339 31.127 31.700 -0.391 0.000 1.305 160 W N -2.838 118.455 121.300 -0.011 0.000 3.005 160 W HA 0.602 5.262 4.660 -0.000 0.000 0.343 160 W C -3.281 173.231 176.519 -0.012 0.000 1.243 160 W CA -3.122 54.215 57.345 -0.013 0.000 1.186 160 W CB -0.809 28.641 29.460 -0.018 0.000 1.453 160 W HN -0.386 nan 8.180 nan 0.000 0.575 161 P HA 0.094 nan 4.420 nan 0.000 0.268 161 P C -0.919 176.510 177.300 0.214 0.000 1.208 161 P CA 0.395 63.602 63.100 0.179 0.000 0.777 161 P CB 0.510 32.273 31.700 0.105 0.000 0.875 162 Q N 0.420 120.301 119.800 0.135 0.000 2.305 162 Q HA 0.494 4.834 4.340 -0.000 0.000 0.271 162 Q C -1.435 174.613 176.000 0.081 0.000 1.046 162 Q CA -0.897 54.981 55.803 0.124 0.000 0.798 162 Q CB 2.314 31.119 28.738 0.112 0.000 1.286 162 Q HN 0.103 nan 8.270 nan 0.000 0.435 163 V N 3.270 123.227 119.914 0.073 0.000 2.370 163 V HA 0.585 4.705 4.120 -0.000 0.000 0.283 163 V C -0.020 176.125 176.094 0.084 0.000 1.023 163 V CA -0.511 61.828 62.300 0.065 0.000 0.857 163 V CB 1.231 33.080 31.823 0.044 0.000 0.985 163 V HN 0.621 nan 8.190 nan 0.000 0.443 164 V N 2.180 122.146 119.914 0.087 0.000 3.167 164 V HA 0.801 4.921 4.120 -0.000 0.000 0.310 164 V C -0.288 175.872 176.094 0.111 0.000 1.207 164 V CA -0.593 61.764 62.300 0.096 0.000 1.059 164 V CB 2.320 34.188 31.823 0.076 0.000 1.079 164 V HN 0.641 nan 8.190 nan 0.000 0.446 165 T N 1.718 116.342 114.554 0.115 0.000 2.925 165 T HA 0.439 4.789 4.350 -0.000 0.000 0.285 165 T C -0.568 174.211 174.700 0.133 0.000 1.021 165 T CA 0.018 62.203 62.100 0.141 0.000 1.042 165 T CB 1.087 70.055 68.868 0.167 0.000 1.037 165 T HN 1.016 nan 8.240 nan 0.000 0.481 166 D N 2.483 122.975 120.400 0.153 0.000 2.801 166 D HA 0.033 4.673 4.640 -0.000 0.000 0.232 166 D C 0.803 177.222 176.300 0.198 0.000 1.128 166 D CA -0.301 53.795 54.000 0.160 0.000 1.003 166 D CB -0.171 40.717 40.800 0.146 0.000 1.110 166 D HN 0.264 nan 8.370 nan 0.000 0.477 167 N N 0.706 119.510 118.700 0.175 0.000 2.037 167 N HA -0.236 4.504 4.740 -0.000 0.000 0.196 167 N C 1.331 176.971 175.510 0.218 0.000 1.034 167 N CA 1.125 54.269 53.050 0.156 0.000 0.861 167 N CB -0.419 38.083 38.487 0.024 0.000 1.039 167 N HN 0.380 nan 8.380 nan 0.000 0.427 168 F N 2.719 122.717 119.950 0.081 0.000 2.031 168 F HA -0.151 4.376 4.527 -0.000 0.000 0.295 168 F C 2.394 178.259 175.800 0.108 0.000 1.133 168 F CA 1.470 59.514 58.000 0.073 0.000 1.188 168 F CB -0.383 38.641 39.000 0.039 0.000 0.974 168 F HN -0.089 nan 8.300 nan 0.000 0.473 169 E N 0.909 121.101 120.200 -0.014 0.000 2.070 169 E HA -0.260 4.090 4.350 -0.000 0.000 0.197 169 E C 2.426 178.990 176.600 -0.059 0.000 1.004 169 E CA 1.374 57.702 56.400 -0.121 0.000 0.805 169 E CB -1.155 28.594 29.700 0.082 0.000 0.744 169 E HN 0.526 nan 8.360 nan 0.000 0.451 170 A N 1.631 124.507 122.820 0.092 0.000 1.883 170 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 170 A C 2.465 180.148 177.584 0.165 0.000 1.186 170 A CA 2.567 54.693 52.037 0.149 0.000 0.624 170 A CB -0.728 18.445 19.000 0.289 0.000 0.822 170 A HN 0.297 nan 8.150 nan 0.000 0.444 171 A N -0.587 122.394 122.820 0.268 0.000 1.930 171 A HA -0.137 4.182 4.320 -0.000 0.000 0.217 171 A C 2.105 179.731 177.584 0.070 0.000 1.175 171 A CA 2.078 54.288 52.037 0.287 0.000 0.627 171 A CB -0.421 18.715 19.000 0.227 0.000 0.815 171 A HN 0.586 nan 8.150 nan 0.000 0.443 172 K N -0.278 120.031 120.400 -0.152 0.000 1.973 172 K HA -0.053 4.267 4.320 -0.000 0.000 0.212 172 K C 2.204 178.770 176.600 -0.057 0.000 1.047 172 K CA 1.358 57.516 56.287 -0.216 0.000 0.937 172 K CB -0.420 31.772 32.500 -0.513 0.000 0.721 172 K HN 0.307 nan 8.250 nan 0.000 0.440 173 A N 0.882 123.673 122.820 -0.047 0.000 1.948 173 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 173 A C 2.322 179.928 177.584 0.037 0.000 1.177 173 A CA 2.172 54.206 52.037 -0.005 0.000 0.636 173 A CB -0.997 17.998 19.000 -0.008 0.000 0.815 173 A HN 0.536 nan 8.150 nan 0.000 0.449 174 A N -1.285 121.590 122.820 0.091 0.000 1.933 174 A HA -0.065 4.254 4.320 -0.000 0.000 0.218 174 A C 2.270 180.063 177.584 0.348 0.000 1.175 174 A CA 2.196 54.333 52.037 0.167 0.000 0.628 174 A CB -1.131 17.994 19.000 0.210 0.000 0.814 174 A HN 0.429 nan 8.150 nan 0.000 0.444 175 T N -0.509 114.248 114.554 0.338 0.000 2.951 175 T HA -0.066 4.284 4.350 -0.000 0.000 0.268 175 T C 1.910 176.751 174.700 0.234 0.000 1.073 175 T CA 1.731 64.037 62.100 0.343 0.000 1.134 175 T CB -0.309 68.672 68.868 0.187 0.000 0.884 175 T HN 0.533 nan 8.240 nan 0.000 0.479 176 T N 1.820 116.454 114.554 0.132 0.000 2.812 176 T HA 0.078 4.427 4.350 -0.000 0.000 0.264 176 T C 2.434 177.174 174.700 0.067 0.000 1.042 176 T CA 0.968 63.117 62.100 0.081 0.000 1.140 176 T CB -0.413 68.475 68.868 0.034 0.000 0.870 176 T HN 0.406 nan 8.240 nan 0.000 0.445 177 A N 0.964 123.792 122.820 0.014 0.000 1.908 177 A HA 0.084 4.404 4.320 -0.000 0.000 0.218 177 A C 0.902 178.424 177.584 -0.103 0.000 1.181 177 A CA 1.022 52.993 52.037 -0.111 0.000 0.627 177 A CB -0.741 18.097 19.000 -0.270 0.000 0.818 177 A HN 0.380 nan 8.150 nan 0.000 0.445 181 Q N -0.841 119.011 119.800 0.085 0.000 2.189 181 Q HA 0.277 4.617 4.340 -0.000 0.000 0.223 181 Q C 0.864 176.806 176.000 -0.096 0.000 0.828 181 Q CA 0.591 56.422 55.803 0.047 0.000 0.967 181 Q CB 1.765 30.604 28.738 0.168 0.000 1.139 181 Q HN 0.402 nan 8.270 nan 0.000 0.497 182 G N 0.467 109.219 108.800 -0.080 0.000 2.231 182 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.206 182 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.206 182 G C -0.308 174.465 174.900 -0.212 0.000 0.996 182 G CA -0.617 44.372 45.100 -0.186 0.000 0.645 182 G HN 0.273 nan 8.290 nan 0.000 0.498 183 Y N 2.996 123.361 120.300 0.108 0.000 2.570 183 Y HA 0.321 4.871 4.550 -0.000 0.000 0.336 183 Y C 2.009 177.976 175.900 0.111 0.000 1.284 183 Y CA 0.090 58.257 58.100 0.111 0.000 1.761 183 Y CB 0.362 38.916 38.460 0.155 0.000 1.724 183 Y HN 0.170 nan 8.280 nan 0.000 0.455 184 Q N 0.097 120.000 119.800 0.173 0.000 2.083 184 Q HA -0.140 4.200 4.340 -0.000 0.000 0.198 184 Q C 0.571 176.690 176.000 0.199 0.000 0.969 184 Q CA 0.973 56.865 55.803 0.149 0.000 0.838 184 Q CB -0.133 28.659 28.738 0.090 0.000 0.900 184 Q HN 0.674 nan 8.270 nan 0.000 0.436 185 H N 0.696 119.817 119.070 0.086 0.000 2.620 185 H HA 0.348 4.904 4.556 -0.000 0.000 0.313 185 H C -0.961 174.409 175.328 0.070 0.000 1.075 185 H CA -0.521 55.566 56.048 0.065 0.000 1.397 185 H CB 0.711 30.500 29.762 0.046 0.000 1.446 185 H HN -0.159 nan 8.280 nan 0.000 0.493 186 V N 5.997 125.855 119.914 -0.094 0.000 2.581 186 V HA 0.229 4.349 4.120 -0.000 0.000 0.303 186 V C -0.297 175.601 176.094 -0.325 0.000 1.041 186 V CA -0.804 61.397 62.300 -0.165 0.000 0.907 186 V CB 1.830 33.653 31.823 0.000 0.000 0.994 186 V HN 0.528 nan 8.190 nan 0.000 0.442 187 V N 4.537 124.308 119.914 -0.238 0.000 2.380 187 V HA 0.358 4.478 4.120 -0.000 0.000 0.286 187 V C -0.285 175.799 176.094 -0.015 0.000 1.015 187 V CA -0.560 61.638 62.300 -0.171 0.000 0.834 187 V CB 1.719 33.420 31.823 -0.204 0.000 1.009 187 V HN 0.610 nan 8.190 nan 0.000 0.428 188 V N 6.315 126.231 119.914 0.003 0.000 2.406 188 V HA 0.390 4.509 4.120 -0.000 0.000 0.272 188 V C -0.160 175.922 176.094 -0.021 0.000 1.043 188 V CA -0.397 61.927 62.300 0.040 0.000 0.915 188 V CB 1.488 33.326 31.823 0.024 0.000 0.988 188 V HN 0.654 nan 8.190 nan 0.000 0.466 189 L N 5.917 127.162 121.223 0.036 0.000 2.280 189 L HA 0.803 5.143 4.340 -0.000 0.000 0.287 189 L C -0.088 176.714 176.870 -0.113 0.000 1.023 189 L CA 0.857 55.626 54.840 -0.118 0.000 0.819 189 L CB 1.572 43.580 42.059 -0.086 0.000 1.212 189 L HN 0.816 nan 8.230 nan 0.000 0.420 190 T N 2.242 116.643 114.554 -0.255 0.000 2.816 190 T HA 0.614 4.964 4.350 -0.000 0.000 0.299 190 T C -0.480 174.129 174.700 -0.151 0.000 1.230 190 T CA -0.390 61.655 62.100 -0.092 0.000 1.007 190 T CB 1.265 70.098 68.868 -0.058 0.000 1.289 190 T HN 0.597 nan 8.240 nan 0.000 0.508 191 S N 1.057 116.874 115.700 0.195 0.000 2.645 191 S HA 0.342 4.812 4.470 -0.000 0.000 0.266 191 S C -0.239 174.373 174.600 0.019 0.000 1.258 191 S CA -0.726 57.606 58.200 0.219 0.000 0.990 191 S CB 0.399 63.805 63.200 0.342 0.000 0.967 191 S HN 0.751 nan 8.310 nan 0.000 0.556 192 E N 0.865 121.065 120.200 -0.001 0.000 2.694 192 E HA -0.063 4.286 4.350 -0.000 0.000 0.250 192 E C 0.692 177.268 176.600 -0.040 0.000 0.963 192 E CA -0.080 56.294 56.400 -0.043 0.000 0.949 192 E CB 0.059 29.742 29.700 -0.029 0.000 0.911 192 E HN 0.423 nan 8.360 nan 0.000 0.500 193 L N 3.860 125.036 121.223 -0.079 0.000 2.012 193 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 193 L C 2.488 179.343 176.870 -0.025 0.000 1.073 193 L CA 1.720 56.520 54.840 -0.066 0.000 0.748 193 L CB -0.567 41.420 42.059 -0.120 0.000 0.891 193 L HN 0.669 nan 8.230 nan 0.000 0.431 194 E N 0.131 120.315 120.200 -0.027 0.000 2.333 194 E HA -0.224 4.126 4.350 -0.000 0.000 0.198 194 E C 1.943 178.538 176.600 -0.008 0.000 1.007 194 E CA 0.974 57.367 56.400 -0.013 0.000 0.845 194 E CB -0.185 29.505 29.700 -0.017 0.000 0.766 194 E HN 0.365 nan 8.360 nan 0.000 0.507 195 L N 0.723 121.939 121.223 -0.011 0.000 2.395 195 L HA 0.125 4.465 4.340 -0.000 0.000 0.218 195 L C 0.853 177.735 176.870 0.021 0.000 1.130 195 L CA 0.645 55.479 54.840 -0.010 0.000 0.826 195 L CB 0.403 42.444 42.059 -0.030 0.000 0.941 195 L HN 0.034 nan 8.230 nan 0.000 0.451 196 S N -1.499 114.218 115.700 0.028 0.000 2.619 196 S HA 0.358 4.828 4.470 -0.000 0.000 0.280 196 S C 0.885 175.500 174.600 0.025 0.000 1.150 196 S CA -0.776 57.452 58.200 0.047 0.000 0.978 196 S CB 0.985 64.222 63.200 0.061 0.000 1.041 196 S HN -0.033 nan 8.310 nan 0.000 0.485 197 R N 1.909 122.424 120.500 0.026 0.000 2.096 197 R HA -0.055 4.285 4.340 -0.000 0.000 0.235 197 R C 2.324 178.629 176.300 0.008 0.000 1.127 197 R CA 2.060 58.170 56.100 0.017 0.000 0.968 197 R CB -1.698 28.611 30.300 0.014 0.000 0.861 197 R HN 0.905 nan 8.270 nan 0.000 0.440 198 T N -0.826 113.723 114.554 -0.008 0.000 2.684 198 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 198 T C 2.005 176.663 174.700 -0.071 0.000 1.036 198 T CA 1.116 63.188 62.100 -0.046 0.000 1.148 198 T CB -0.215 68.603 68.868 -0.084 0.000 0.863 198 T HN 0.213 nan 8.240 nan 0.000 0.436 199 R N 1.169 121.636 120.500 -0.054 0.000 2.091 199 R HA -0.082 4.258 4.340 -0.000 0.000 0.238 199 R C 3.012 179.319 176.300 0.011 0.000 1.136 199 R CA 1.937 58.008 56.100 -0.048 0.000 0.959 199 R CB -0.423 29.865 30.300 -0.019 0.000 0.856 199 R HN 0.576 nan 8.270 nan 0.000 0.437 200 Q N 0.170 119.992 119.800 0.037 0.000 2.096 200 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 200 Q C 2.039 178.108 176.000 0.115 0.000 0.982 200 Q CA 1.356 57.215 55.803 0.094 0.000 0.850 200 Q CB 0.058 28.835 28.738 0.064 0.000 0.901 200 Q HN 0.321 nan 8.270 nan 0.000 0.422 201 E N 0.517 120.764 120.200 0.079 0.000 2.051 201 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 201 E C 2.015 178.719 176.600 0.174 0.000 0.991 201 E CA 1.007 57.486 56.400 0.131 0.000 0.799 201 E CB -0.138 29.628 29.700 0.110 0.000 0.748 201 E HN 0.342 nan 8.360 nan 0.000 0.449 202 R N -0.131 120.407 120.500 0.063 0.000 2.091 202 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 202 R C 2.421 178.759 176.300 0.063 0.000 1.136 202 R CA 1.509 57.627 56.100 0.030 0.000 0.959 202 R CB -0.499 29.697 30.300 -0.174 0.000 0.856 202 R HN 0.202 nan 8.270 nan 0.000 0.437 203 Y N 2.159 122.431 120.300 -0.047 0.000 2.114 203 Y HA -0.255 4.295 4.550 -0.000 0.000 0.284 203 Y C 2.468 178.364 175.900 -0.008 0.000 1.143 203 Y CA 1.908 59.970 58.100 -0.064 0.000 1.135 203 Y CB -0.374 38.057 38.460 -0.048 0.000 0.980 203 Y HN -0.046 nan 8.280 nan 0.000 0.499 204 R N 0.039 120.495 120.500 -0.074 0.000 2.152 204 R HA -0.031 4.309 4.340 -0.000 0.000 0.232 204 R C 2.324 178.677 176.300 0.089 0.000 1.117 204 R CA 1.655 57.703 56.100 -0.087 0.000 0.981 204 R CB -1.245 29.086 30.300 0.051 0.000 0.870 204 R HN 0.359 nan 8.270 nan 0.000 0.451 205 G N 1.223 110.103 108.800 0.133 0.000 2.418 205 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 205 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 205 G C 1.486 176.266 174.900 -0.199 0.000 1.158 205 G CA 1.019 46.017 45.100 -0.169 0.000 0.771 205 G HN 0.316 nan 8.290 nan 0.000 0.545 206 I N 0.320 120.777 120.570 -0.188 0.000 2.315 206 I HA -0.059 4.111 4.170 -0.000 0.000 0.248 206 I C 2.518 178.540 176.117 -0.158 0.000 1.117 206 I CA 0.543 61.725 61.300 -0.195 0.000 1.404 206 I CB -0.122 37.698 38.000 -0.301 0.000 1.071 206 I HN 0.107 nan 8.210 nan 0.000 0.419 207 L N 0.450 121.533 121.223 -0.235 0.000 2.275 207 L HA -0.112 4.228 4.340 -0.000 0.000 0.215 207 L C 2.641 179.465 176.870 -0.076 0.000 1.119 207 L CA 0.820 55.543 54.840 -0.195 0.000 0.790 207 L CB -0.532 41.331 42.059 -0.328 0.000 0.919 207 L HN 0.224 nan 8.230 nan 0.000 0.443 208 A N -0.444 122.357 122.820 -0.031 0.000 2.072 208 A HA 0.165 4.485 4.320 -0.000 0.000 0.216 208 A C 2.234 179.822 177.584 0.007 0.000 1.156 208 A CA 1.261 53.321 52.037 0.039 0.000 0.701 208 A CB -0.204 18.898 19.000 0.170 0.000 0.816 208 A HN 0.348 nan 8.150 nan 0.000 0.458 209 A N -1.711 121.095 122.820 -0.023 0.000 2.324 209 A HA 0.725 5.045 4.320 -0.000 0.000 0.220 209 A C 0.977 178.576 177.584 0.025 0.000 1.209 209 A CA 0.859 52.896 52.037 0.000 0.000 0.918 209 A CB -0.090 18.907 19.000 -0.006 0.000 0.959 209 A HN 0.988 nan 8.150 nan 0.000 0.507 210 A N -2.450 120.379 122.820 0.015 0.000 2.430 210 A HA 0.708 5.028 4.320 -0.000 0.000 0.300 210 A C 0.333 177.932 177.584 0.026 0.000 1.124 210 A CA 0.477 52.536 52.037 0.037 0.000 0.766 210 A CB 0.696 19.729 19.000 0.054 0.000 1.328 210 A HN 0.621 nan 8.150 nan 0.000 0.424 211 Q N -0.246 119.581 119.800 0.045 0.000 2.627 211 Q HA 0.228 4.568 4.340 -0.000 0.000 0.201 211 Q C 0.379 176.415 176.000 0.059 0.000 0.912 211 Q CA 1.034 56.861 55.803 0.039 0.000 0.877 211 Q CB -0.532 28.226 28.738 0.033 0.000 1.125 211 Q HN 0.802 nan 8.270 nan 0.000 0.637 212 D N 1.406 121.858 120.400 0.087 0.000 2.398 212 D HA 0.329 4.969 4.640 -0.000 0.000 0.250 212 D C -1.297 175.156 176.300 0.255 0.000 1.287 212 D CA 0.201 54.277 54.000 0.127 0.000 0.992 212 D CB 0.049 40.897 40.800 0.081 0.000 1.071 212 D HN 0.151 nan 8.370 nan 0.000 0.514 213 V N 4.789 124.810 119.914 0.177 0.000 2.380 213 V HA 0.241 4.361 4.120 -0.000 0.000 0.286 213 V C -0.089 176.098 176.094 0.156 0.000 1.015 213 V CA -0.986 61.406 62.300 0.153 0.000 0.834 213 V CB 1.755 33.628 31.823 0.084 0.000 1.009 213 V HN 0.347 nan 8.190 nan 0.000 0.428 214 D N 2.577 123.071 120.400 0.157 0.000 2.193 214 D HA 0.575 5.215 4.640 -0.000 0.000 0.249 214 D C -0.634 175.694 176.300 0.046 0.000 1.034 214 D CA -0.100 53.969 54.000 0.115 0.000 0.902 214 D CB 3.011 43.903 40.800 0.152 0.000 1.182 214 D HN 0.351 nan 8.370 nan 0.000 0.436 215 V N 2.375 122.292 119.914 0.006 0.000 2.735 215 V HA 0.494 4.613 4.120 -0.000 0.000 0.310 215 V C -1.650 174.364 176.094 -0.134 0.000 1.061 215 V CA -0.752 61.502 62.300 -0.078 0.000 0.913 215 V CB 2.090 33.815 31.823 -0.164 0.000 1.005 215 V HN 0.305 nan 8.190 nan 0.000 0.428 216 L N 5.627 126.741 121.223 -0.181 0.000 2.377 216 L HA 0.624 4.964 4.340 -0.000 0.000 0.270 216 L C -0.310 176.383 176.870 -0.295 0.000 0.991 216 L CA 0.133 54.838 54.840 -0.226 0.000 0.851 216 L CB 1.486 43.397 42.059 -0.247 0.000 1.218 216 L HN 0.754 nan 8.230 nan 0.000 0.420 217 E N 3.487 123.526 120.200 -0.268 0.000 2.227 217 E HA 0.542 4.892 4.350 -0.000 0.000 0.282 217 E C -1.173 175.240 176.600 -0.312 0.000 1.015 217 E CA -0.535 55.700 56.400 -0.275 0.000 0.823 217 E CB 1.877 31.454 29.700 -0.205 0.000 1.081 217 E HN 0.460 nan 8.360 nan 0.000 0.396 218 V N 2.603 122.278 119.914 -0.398 0.000 2.540 218 V HA 0.207 4.327 4.120 -0.000 0.000 0.302 218 V C -0.362 175.607 176.094 -0.210 0.000 1.035 218 V CA -0.944 61.081 62.300 -0.457 0.000 0.873 218 V CB 1.939 33.122 31.823 -1.066 0.000 0.992 218 V HN 0.635 nan 8.190 nan 0.000 0.428 219 S N 3.058 118.719 115.700 -0.066 0.000 2.465 219 S HA 0.246 4.716 4.470 -0.000 0.000 0.279 219 S C 0.894 175.615 174.600 0.202 0.000 1.201 219 S CA -0.673 57.567 58.200 0.066 0.000 1.053 219 S CB 0.999 64.247 63.200 0.080 0.000 0.953 219 S HN 0.809 nan 8.310 nan 0.000 0.488 220 E N 1.959 122.304 120.200 0.242 0.000 2.265 220 E HA -0.125 4.225 4.350 -0.000 0.000 0.196 220 E C 1.680 178.489 176.600 0.348 0.000 0.996 220 E CA 0.738 57.343 56.400 0.341 0.000 0.832 220 E CB 0.006 29.828 29.700 0.205 0.000 0.756 220 E HN 0.594 nan 8.360 nan 0.000 0.491 221 S N 0.199 116.034 115.700 0.225 0.000 2.388 221 S HA -0.038 4.432 4.470 -0.000 0.000 0.223 221 S C 0.966 175.670 174.600 0.173 0.000 1.034 221 S CA 0.487 58.782 58.200 0.158 0.000 0.963 221 S CB 0.293 63.540 63.200 0.079 0.000 0.827 221 S HN 0.121 nan 8.310 nan 0.000 0.481 222 S N 0.529 116.352 115.700 0.204 0.000 2.774 222 S HA 0.625 5.095 4.470 -0.000 0.000 0.297 222 S C -1.127 173.629 174.600 0.260 0.000 1.143 222 S CA -0.782 57.515 58.200 0.163 0.000 1.090 222 S CB 0.608 63.862 63.200 0.089 0.000 1.019 222 S HN 0.504 nan 8.310 nan 0.000 0.482 223 Y N 1.541 121.892 120.300 0.084 0.000 2.558 223 Y HA 0.652 5.202 4.550 -0.000 0.000 0.333 223 Y C -1.327 174.642 175.900 0.115 0.000 1.125 223 Y CA -1.136 57.012 58.100 0.081 0.000 1.039 223 Y CB 0.536 39.049 38.460 0.088 0.000 1.331 223 Y HN 0.536 nan 8.280 nan 0.000 0.456 224 N N 1.543 120.338 118.700 0.158 0.000 2.419 224 N HA 0.211 4.951 4.740 -0.000 0.000 0.277 224 N C 0.493 176.175 175.510 0.287 0.000 1.006 224 N CA -0.327 52.790 53.050 0.112 0.000 0.923 224 N CB 0.919 39.461 38.487 0.093 0.000 1.140 224 N HN 0.910 nan 8.380 nan 0.000 0.488 225 H N 2.140 121.337 119.070 0.212 0.000 2.253 225 H HA -0.151 4.404 4.556 -0.000 0.000 0.296 225 H C 1.831 177.403 175.328 0.407 0.000 1.074 225 H CA 2.904 59.189 56.048 0.394 0.000 1.263 225 H CB 0.001 29.879 29.762 0.193 0.000 1.363 225 H HN 0.662 nan 8.280 nan 0.000 0.489 226 S N -0.176 115.739 115.700 0.358 0.000 2.419 226 S HA -0.178 4.292 4.470 -0.000 0.000 0.233 226 S C 1.913 176.632 174.600 0.198 0.000 1.016 226 S CA 1.365 59.750 58.200 0.308 0.000 0.974 226 S CB -0.226 63.124 63.200 0.251 0.000 0.786 226 S HN 0.611 nan 8.310 nan 0.000 0.492 227 E N 0.871 121.156 120.200 0.141 0.000 2.015 227 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 227 E C 2.176 178.769 176.600 -0.011 0.000 0.991 227 E CA 1.420 57.856 56.400 0.059 0.000 0.802 227 E CB -0.345 29.388 29.700 0.054 0.000 0.759 227 E HN 0.407 nan 8.360 nan 0.000 0.447 228 V N 1.087 120.979 119.914 -0.036 0.000 2.490 228 V HA -0.259 3.861 4.120 -0.000 0.000 0.250 228 V C 2.266 178.177 176.094 -0.305 0.000 1.061 228 V CA 2.190 64.320 62.300 -0.283 0.000 1.064 228 V CB -0.691 30.802 31.823 -0.549 0.000 0.670 228 V HN 0.342 nan 8.190 nan 0.000 0.461 229 H N 0.556 119.536 119.070 -0.150 0.000 2.357 229 H HA -0.144 4.412 4.556 -0.000 0.000 0.301 229 H C 2.293 177.610 175.328 -0.017 0.000 1.082 229 H CA 2.184 58.220 56.048 -0.019 0.000 1.342 229 H CB -0.069 29.744 29.762 0.085 0.000 1.389 229 H HN 0.484 nan 8.280 nan 0.000 0.511 230 Q N -0.456 119.202 119.800 -0.237 0.000 2.046 230 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 230 Q C 2.509 178.391 176.000 -0.197 0.000 0.975 230 Q CA 1.285 56.930 55.803 -0.263 0.000 0.836 230 Q CB -0.068 28.614 28.738 -0.094 0.000 0.896 230 Q HN 0.247 nan 8.270 nan 0.000 0.428 231 R N 1.259 121.667 120.500 -0.153 0.000 2.096 231 R HA -0.193 4.147 4.340 -0.000 0.000 0.240 231 R C 2.031 178.242 176.300 -0.148 0.000 1.139 231 R CA 1.316 57.334 56.100 -0.137 0.000 0.952 231 R CB -0.776 29.437 30.300 -0.145 0.000 0.854 231 R HN 0.279 nan 8.270 nan 0.000 0.436 232 L N -0.074 121.035 121.223 -0.190 0.000 2.046 232 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 232 L C 1.778 178.582 176.870 -0.111 0.000 1.077 232 L CA 2.350 57.098 54.840 -0.153 0.000 0.747 232 L CB -0.895 41.071 42.059 -0.156 0.000 0.896 232 L HN 0.254 nan 8.230 nan 0.000 0.432 233 T N -0.749 113.714 114.554 -0.151 0.000 2.915 233 T HA -0.160 4.190 4.350 -0.000 0.000 0.269 233 T C 1.788 176.441 174.700 -0.077 0.000 1.071 233 T CA 1.560 63.589 62.100 -0.119 0.000 1.132 233 T CB -0.128 68.628 68.868 -0.188 0.000 0.878 233 T HN 0.514 nan 8.240 nan 0.000 0.479 234 Q N 0.358 120.110 119.800 -0.081 0.000 2.096 234 Q HA 0.153 4.493 4.340 -0.000 0.000 0.197 234 Q C 2.302 178.294 176.000 -0.013 0.000 0.964 234 Q CA 0.850 56.626 55.803 -0.046 0.000 0.838 234 Q CB -0.270 28.437 28.738 -0.052 0.000 0.906 234 Q HN 0.436 nan 8.270 nan 0.000 0.444 235 L N 0.282 121.494 121.223 -0.019 0.000 2.201 235 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 235 L C 2.126 179.049 176.870 0.090 0.000 1.105 235 L CA 0.879 55.737 54.840 0.030 0.000 0.775 235 L CB -0.253 41.798 42.059 -0.014 0.000 0.913 235 L HN 0.260 nan 8.230 nan 0.000 0.440 236 I N -0.512 120.070 120.570 0.020 0.000 2.400 236 I HA -0.045 4.125 4.170 -0.000 0.000 0.248 236 I C 1.678 177.841 176.117 0.077 0.000 1.109 236 I CA 0.769 62.082 61.300 0.023 0.000 1.425 236 I CB -0.478 37.496 38.000 -0.043 0.000 1.094 236 I HN 0.265 nan 8.210 nan 0.000 0.425 243 T N 0.678 115.413 114.554 0.302 0.000 2.932 243 T HA 0.422 4.772 4.350 -0.000 0.000 0.318 243 T C -1.310 173.425 174.700 0.058 0.000 1.265 243 T CA -0.725 61.489 62.100 0.191 0.000 1.036 243 T CB 1.987 70.909 68.868 0.090 0.000 1.209 243 T HN 0.233 nan 8.240 nan 0.000 0.484 244 V N 1.540 121.381 119.914 -0.121 0.000 2.409 244 V HA 0.770 4.889 4.120 -0.000 0.000 0.291 244 V C 0.262 176.176 176.094 -0.299 0.000 1.020 244 V CA -1.125 60.954 62.300 -0.369 0.000 0.848 244 V CB 1.202 32.708 31.823 -0.530 0.000 0.990 244 V HN 1.127 nan 8.190 nan 0.000 0.430 245 A N 5.161 127.758 122.820 -0.372 0.000 2.354 245 A HA 0.680 5.000 4.320 -0.000 0.000 0.281 245 A C -0.833 176.691 177.584 -0.100 0.000 1.174 245 A CA -0.080 51.785 52.037 -0.287 0.000 0.828 245 A CB -0.058 18.562 19.000 -0.634 0.000 1.099 245 A HN 0.838 nan 8.150 nan 0.000 0.516 246 F N 3.200 123.146 119.950 -0.007 0.000 2.403 246 F HA 0.560 5.087 4.527 -0.000 0.000 0.355 246 F C 0.413 176.366 175.800 0.254 0.000 1.119 246 F CA -0.669 57.387 58.000 0.093 0.000 1.007 246 F CB 1.162 40.164 39.000 0.005 0.000 1.194 246 F HN 0.682 nan 8.300 nan 0.000 0.443 247 A N 5.992 129.205 122.820 0.655 0.000 2.289 247 A HA 0.456 4.776 4.320 -0.000 0.000 0.298 247 A C -0.040 177.875 177.584 0.552 0.000 1.208 247 A CA -0.472 51.823 52.037 0.429 0.000 0.845 247 A CB 0.807 19.835 19.000 0.048 0.000 1.125 247 A HN 0.845 nan 8.150 nan 0.000 0.517 248 L N 1.118 122.605 121.223 0.441 0.000 2.599 248 L HA 0.252 4.592 4.340 -0.000 0.000 0.230 248 L C 0.914 177.936 176.870 0.254 0.000 1.141 248 L CA 1.365 56.436 54.840 0.385 0.000 0.877 248 L CB -0.803 41.359 42.059 0.172 0.000 1.009 248 L HN 0.723 nan 8.230 nan 0.000 0.447 249 K N -0.983 119.576 120.400 0.264 0.000 2.523 249 K HA 0.122 4.441 4.320 -0.000 0.000 0.257 249 K C 0.681 177.312 176.600 0.051 0.000 0.932 249 K CA -0.359 55.985 56.287 0.094 0.000 0.812 249 K CB 1.994 34.475 32.500 -0.031 0.000 1.326 249 K HN -0.120 nan 8.250 nan 0.000 0.433 250 E N 2.997 123.214 120.200 0.028 0.000 2.049 250 E HA -0.284 4.066 4.350 -0.000 0.000 0.198 250 E C 1.556 178.113 176.600 -0.072 0.000 1.007 250 E CA 2.338 58.749 56.400 0.019 0.000 0.809 250 E CB 0.095 29.840 29.700 0.076 0.000 0.749 250 E HN 0.626 nan 8.360 nan 0.000 0.450 251 R N -0.350 120.034 120.500 -0.193 0.000 2.133 251 R HA -0.197 4.143 4.340 -0.000 0.000 0.247 251 R C 2.086 178.273 176.300 -0.189 0.000 1.151 251 R CA 1.923 57.852 56.100 -0.284 0.000 0.971 251 R CB -1.087 28.896 30.300 -0.528 0.000 0.866 251 R HN 0.374 nan 8.270 nan 0.000 0.447 252 W N 0.959 122.236 121.300 -0.040 0.000 2.418 252 W HA 0.046 4.705 4.660 -0.000 0.000 0.292 252 W C 2.276 178.654 176.519 -0.236 0.000 1.213 252 W CA -0.262 57.074 57.345 -0.016 0.000 1.283 252 W CB -0.081 29.346 29.460 -0.056 0.000 1.119 252 W HN 0.099 nan 8.180 nan 0.000 0.542 253 L N 0.433 121.543 121.223 -0.189 0.000 2.056 253 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 253 L C 2.150 178.902 176.870 -0.197 0.000 1.078 253 L CA 1.551 56.051 54.840 -0.566 0.000 0.749 253 L CB -0.467 41.444 42.059 -0.246 0.000 0.901 253 L HN 0.002 nan 8.230 nan 0.000 0.433 254 L N -0.440 120.739 121.223 -0.073 0.000 2.093 254 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 254 L C 2.541 179.396 176.870 -0.026 0.000 1.085 254 L CA 1.678 56.501 54.840 -0.029 0.000 0.755 254 L CB -0.605 41.432 42.059 -0.038 0.000 0.904 254 L HN 0.423 nan 8.230 nan 0.000 0.435 255 E N -0.219 119.953 120.200 -0.046 0.000 2.170 255 E HA -0.118 4.231 4.350 -0.000 0.000 0.191 255 E C 1.879 178.289 176.600 -0.317 0.000 0.981 255 E CA 0.905 57.195 56.400 -0.183 0.000 0.830 255 E CB 0.204 29.751 29.700 -0.255 0.000 0.775 255 E HN 0.397 nan 8.360 nan 0.000 0.470 256 F N -1.336 118.710 119.950 0.161 0.000 2.653 256 F HA 0.134 4.660 4.527 -0.000 0.000 0.288 256 F C 1.557 177.585 175.800 0.381 0.000 1.121 256 F CA -0.147 57.984 58.000 0.217 0.000 1.384 256 F CB 0.104 39.197 39.000 0.155 0.000 1.115 256 F HN 0.019 nan 8.300 nan 0.000 0.599 257 F N 0.844 120.942 119.950 0.246 0.000 2.206 257 F HA 0.082 4.609 4.527 -0.000 0.000 0.298 257 F C -0.409 175.452 175.800 0.101 0.000 1.090 257 F CA -0.080 58.010 58.000 0.151 0.000 1.323 257 F CB -2.604 36.459 39.000 0.105 0.000 1.028 257 F HN -0.068 nan 8.300 nan 0.000 0.492 258 P HA -0.181 nan 4.420 nan 0.000 0.215 258 P C 0.966 178.339 177.300 0.121 0.000 1.157 258 P CA 1.940 65.129 63.100 0.148 0.000 0.874 258 P CB -0.194 31.560 31.700 0.091 0.000 0.790 259 N N -1.458 117.320 118.700 0.130 0.000 2.512 259 N HA -0.051 4.688 4.740 -0.000 0.000 0.183 259 N C 0.979 176.566 175.510 0.129 0.000 1.073 259 N CA 0.145 53.256 53.050 0.102 0.000 0.911 259 N CB -0.252 38.275 38.487 0.066 0.000 0.964 259 N HN 0.045 nan 8.380 nan 0.000 0.447 260 L N 0.212 121.533 121.223 0.163 0.000 2.375 260 L HA 0.119 4.459 4.340 -0.000 0.000 0.215 260 L C 1.696 178.608 176.870 0.069 0.000 1.108 260 L CA 0.717 55.635 54.840 0.131 0.000 0.830 260 L CB -0.025 42.111 42.059 0.128 0.000 0.959 260 L HN 0.178 nan 8.230 nan 0.000 0.457 261 I N -1.003 119.608 120.570 0.068 0.000 2.333 261 I HA -0.226 3.944 4.170 -0.000 0.000 0.246 261 I C 2.132 178.273 176.117 0.039 0.000 1.106 261 I CA 1.232 62.556 61.300 0.040 0.000 1.411 261 I CB -0.102 37.925 38.000 0.045 0.000 1.082 261 I HN 0.112 nan 8.210 nan 0.000 0.420 262 I N 0.487 121.086 120.570 0.048 0.000 2.439 262 I HA -0.192 3.978 4.170 -0.000 0.000 0.251 262 I C 2.528 178.669 176.117 0.041 0.000 1.139 262 I CA 1.214 62.538 61.300 0.040 0.000 1.438 262 I CB -0.272 37.751 38.000 0.037 0.000 1.085 262 I HN 0.266 nan 8.210 nan 0.000 0.427 263 S N 0.289 116.021 115.700 0.054 0.000 2.515 263 S HA 0.084 4.554 4.470 -0.000 0.000 0.231 263 S C 1.738 176.364 174.600 0.044 0.000 0.987 263 S CA 0.625 58.858 58.200 0.055 0.000 0.936 263 S CB 0.172 63.420 63.200 0.080 0.000 0.766 263 S HN 0.601 nan 8.310 nan 0.000 0.528 264 G N 0.464 109.287 108.800 0.038 0.000 2.176 264 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.232 264 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.232 264 G C 0.467 175.382 174.900 0.025 0.000 0.986 264 G CA 0.262 45.380 45.100 0.029 0.000 0.643 264 G HN 0.494 nan 8.290 nan 0.000 0.522 265 L N 0.831 122.070 121.223 0.027 0.000 2.017 265 L HA 0.365 4.705 4.340 -0.000 0.000 0.208 265 L C 1.492 178.358 176.870 -0.006 0.000 1.073 265 L CA 1.556 56.405 54.840 0.015 0.000 0.745 265 L CB -0.169 41.902 42.059 0.020 0.000 0.894 265 L HN 0.404 nan 8.230 nan 0.000 0.432 266 I N 0.751 121.308 120.570 -0.022 0.000 2.291 266 I HA 0.105 4.275 4.170 -0.000 0.000 0.292 266 I C 0.206 176.314 176.117 -0.015 0.000 1.064 266 I CA 0.089 61.359 61.300 -0.051 0.000 1.269 266 I CB 0.489 38.429 38.000 -0.101 0.000 1.418 266 I HN 0.275 nan 8.210 nan 0.000 0.485 267 D N 2.631 123.036 120.400 0.008 0.000 2.480 267 D HA 0.051 4.691 4.640 -0.000 0.000 0.243 267 D C 0.296 176.626 176.300 0.050 0.000 1.120 267 D CA -0.202 53.814 54.000 0.027 0.000 0.835 267 D CB 0.222 41.041 40.800 0.033 0.000 1.204 267 D HN 0.363 nan 8.370 nan 0.000 0.513 268 N N -0.192 118.557 118.700 0.080 0.000 2.937 268 N HA -0.149 4.591 4.740 -0.000 0.000 0.248 268 N C 0.482 176.118 175.510 0.210 0.000 1.069 268 N CA 0.924 54.072 53.050 0.164 0.000 0.822 268 N CB -1.299 37.253 38.487 0.108 0.000 1.122 268 N HN 0.365 nan 8.380 nan 0.000 0.554 269 Q N -1.547 118.344 119.800 0.151 0.000 2.581 269 Q HA 0.219 4.559 4.340 -0.000 0.000 0.222 269 Q C 1.729 177.773 176.000 0.072 0.000 0.904 269 Q CA 1.812 57.667 55.803 0.087 0.000 0.923 269 Q CB 0.243 29.011 28.738 0.050 0.000 1.117 269 Q HN 0.588 nan 8.270 nan 0.000 0.618 270 T N -2.946 111.670 114.554 0.102 0.000 2.964 270 T HA 0.315 4.665 4.350 -0.000 0.000 0.249 270 T C 0.545 175.355 174.700 0.183 0.000 1.000 270 T CA -0.072 62.084 62.100 0.093 0.000 0.992 270 T CB 0.555 69.454 68.868 0.053 0.000 1.087 270 T HN -0.077 nan 8.240 nan 0.000 0.489 271 V N 1.306 121.327 119.914 0.178 0.000 2.668 271 V HA 0.706 4.825 4.120 -0.000 0.000 0.304 271 V C -0.523 175.570 176.094 -0.002 0.000 1.071 271 V CA -0.631 61.733 62.300 0.106 0.000 0.894 271 V CB 1.757 33.585 31.823 0.008 0.000 1.008 271 V HN 0.459 nan 8.190 nan 0.000 0.425 272 T N 2.595 117.025 114.554 -0.205 0.000 2.742 272 T HA 0.950 5.300 4.350 -0.000 0.000 0.282 272 T C -0.989 173.428 174.700 -0.472 0.000 1.025 272 T CA 0.167 62.059 62.100 -0.346 0.000 1.020 272 T CB 2.043 70.600 68.868 -0.518 0.000 1.317 272 T HN 1.282 nan 8.240 nan 0.000 0.538 273 A N 0.609 123.161 122.820 -0.446 0.000 2.572 273 A HA 0.809 5.129 4.320 -0.000 0.000 0.295 273 A C -0.392 176.960 177.584 -0.387 0.000 1.072 273 A CA -0.458 51.267 52.037 -0.522 0.000 0.691 273 A CB 1.797 20.406 19.000 -0.652 0.000 1.291 273 A HN 0.946 nan 8.150 nan 0.000 0.404 274 T N -1.041 113.276 114.554 -0.394 0.000 2.671 274 T HA 0.860 5.209 4.350 -0.000 0.000 0.300 274 T C -0.380 174.158 174.700 -0.270 0.000 1.238 274 T CA 0.417 62.306 62.100 -0.353 0.000 1.020 274 T CB 1.571 70.061 68.868 -0.630 0.000 1.503 274 T HN 2.618 nan 8.240 nan 0.000 0.497 275 G N 0.347 108.922 108.800 -0.374 0.000 2.328 275 G HA2 0.389 4.349 3.960 -0.000 0.000 0.299 275 G HA3 0.389 4.349 3.960 -0.000 0.000 0.299 275 G C -1.817 173.032 174.900 -0.085 0.000 1.435 275 G CA -0.931 44.084 45.100 -0.141 0.000 0.865 275 G HN 0.610 nan 8.290 nan 0.000 0.601 276 F N 1.376 121.401 119.950 0.126 0.000 2.462 276 F HA 0.573 5.099 4.527 -0.000 0.000 0.360 276 F C 0.965 176.821 175.800 0.094 0.000 1.134 276 F CA 1.083 59.156 58.000 0.122 0.000 1.148 276 F CB 1.109 40.191 39.000 0.137 0.000 1.147 276 F HN 0.812 nan 8.300 nan 0.000 0.550 277 A N 2.988 125.921 122.820 0.188 0.000 2.594 277 A HA 0.532 4.852 4.320 -0.000 0.000 0.296 277 A C -0.725 176.957 177.584 0.164 0.000 1.061 277 A CA -0.780 51.359 52.037 0.170 0.000 0.689 277 A CB 1.118 20.176 19.000 0.098 0.000 1.280 277 A HN 0.600 nan 8.150 nan 0.000 0.406 278 D N -0.095 120.436 120.400 0.218 0.000 2.500 278 D HA 0.181 4.821 4.640 -0.000 0.000 0.217 278 D C 0.090 176.407 176.300 0.028 0.000 1.159 278 D CA 0.319 54.455 54.000 0.227 0.000 0.828 278 D CB 0.816 41.880 40.800 0.441 0.000 1.039 278 D HN 0.475 nan 8.370 nan 0.000 0.512 279 T N 0.872 115.333 114.554 -0.154 0.000 2.866 279 T HA 0.094 4.444 4.350 -0.000 0.000 0.293 279 T C 1.279 175.834 174.700 -0.242 0.000 1.005 279 T CA 1.058 62.901 62.100 -0.429 0.000 1.162 279 T CB 0.698 69.407 68.868 -0.265 0.000 0.968 279 T HN 0.354 nan 8.240 nan 0.000 0.530 280 D N 1.600 121.834 120.400 -0.278 0.000 2.363 280 D HA 0.182 4.822 4.640 -0.000 0.000 0.220 280 D C 1.105 177.352 176.300 -0.087 0.000 0.994 280 D CA 0.954 54.877 54.000 -0.128 0.000 0.890 280 D CB -0.541 40.202 40.800 -0.094 0.000 0.906 280 D HN 0.739 nan 8.370 nan 0.000 0.530 281 F N -1.044 118.847 119.950 -0.098 0.000 2.683 281 F HA 0.609 5.136 4.527 -0.000 0.000 0.306 281 F C 2.245 178.023 175.800 -0.037 0.000 1.102 281 F CA 0.437 58.403 58.000 -0.057 0.000 1.244 281 F CB -0.523 38.444 39.000 -0.055 0.000 1.029 281 F HN 0.478 nan 8.300 nan 0.000 0.545 282 I N 0.041 120.589 120.570 -0.037 0.000 2.585 282 I HA 0.163 4.333 4.170 -0.000 0.000 0.254 282 I C 2.330 178.450 176.117 0.005 0.000 1.129 282 I CA 2.002 63.299 61.300 -0.005 0.000 1.455 282 I CB -1.823 36.179 38.000 0.004 0.000 1.111 282 I HN 0.545 nan 8.210 nan 0.000 0.433 283 R N 2.070 122.566 120.500 -0.007 0.000 2.132 283 R HA -0.147 4.193 4.340 -0.000 0.000 0.233 283 R C 1.930 178.229 176.300 -0.001 0.000 1.125 283 R CA 1.516 57.614 56.100 -0.003 0.000 0.914 283 R CB -1.631 28.663 30.300 -0.010 0.000 0.845 283 R HN 0.905 nan 8.270 nan 0.000 0.431 284 R N 0.651 121.148 120.500 -0.006 0.000 2.435 284 R HA 0.436 4.775 4.340 -0.000 0.000 0.325 284 R C -0.115 176.186 176.300 0.002 0.000 1.149 284 R CA 0.437 56.535 56.100 -0.003 0.000 0.995 284 R CB -0.327 29.968 30.300 -0.007 0.000 1.008 284 R HN 0.579 nan 8.270 nan 0.000 0.470 289 L N 1.758 122.984 121.223 0.004 0.000 2.102 289 L HA 0.194 4.534 4.340 -0.000 0.000 0.202 289 L C -0.015 176.870 176.870 0.025 0.000 1.076 289 L CA 1.755 56.597 54.840 0.004 0.000 0.761 289 L CB -0.956 41.106 42.059 0.005 0.000 0.921 289 L HN 1.032 nan 8.230 nan 0.000 0.444 290 T N 0.584 115.146 114.554 0.014 0.000 0.787 290 T HA -0.117 4.233 4.350 -0.000 0.000 0.750 290 T C -0.455 174.255 174.700 0.018 0.000 0.987 290 T CA 0.068 62.173 62.100 0.010 0.000 3.957 290 T CB -1.058 67.811 68.868 0.003 0.000 2.240 290 T HN 0.025 nan 8.240 nan 0.000 0.395 291 L N 3.065 124.272 121.223 -0.027 0.000 2.279 291 L HA 0.748 5.088 4.340 -0.000 0.000 0.262 291 L C 0.147 176.950 176.870 -0.112 0.000 1.019 291 L CA -1.372 53.428 54.840 -0.067 0.000 0.823 291 L CB 1.703 43.743 42.059 -0.032 0.000 1.358 291 L HN 0.575 nan 8.230 nan 0.000 0.432 292 I N 0.788 121.236 120.570 -0.204 0.000 2.330 292 I HA 0.249 4.419 4.170 -0.000 0.000 0.286 292 I C -0.172 175.881 176.117 -0.107 0.000 1.025 292 I CA -0.354 60.787 61.300 -0.265 0.000 1.197 292 I CB 1.346 38.922 38.000 -0.706 0.000 1.358 292 I HN 0.539 nan 8.210 nan 0.000 0.467 293 T N 1.383 115.941 114.554 0.006 0.000 2.829 293 T HA 0.326 4.676 4.350 -0.000 0.000 0.282 293 T C 0.446 175.250 174.700 0.173 0.000 0.990 293 T CA -0.676 61.493 62.100 0.114 0.000 1.028 293 T CB 2.110 71.040 68.868 0.104 0.000 0.951 293 T HN 0.566 nan 8.240 nan 0.000 0.460 294 Q N 1.232 121.196 119.800 0.275 0.000 2.398 294 Q HA 0.092 4.432 4.340 -0.000 0.000 0.204 294 Q C 0.288 176.440 176.000 0.254 0.000 0.932 294 Q CA -0.147 55.844 55.803 0.313 0.000 0.916 294 Q CB 0.109 29.124 28.738 0.463 0.000 1.024 294 Q HN 0.835 nan 8.270 nan 0.000 0.504 295 N N 0.340 119.174 118.700 0.224 0.000 2.699 295 N HA -0.114 4.626 4.740 -0.000 0.000 0.257 295 N C -2.048 173.534 175.510 0.119 0.000 1.077 295 N CA 0.522 53.672 53.050 0.167 0.000 0.702 295 N CB -0.186 38.384 38.487 0.138 0.000 0.886 295 N HN 0.180 nan 8.380 nan 0.000 0.549 296 P HA -0.223 nan 4.420 nan 0.000 0.217 296 P C 1.531 178.703 177.300 -0.213 0.000 1.148 296 P CA 1.000 63.912 63.100 -0.313 0.000 0.834 296 P CB -0.173 31.113 31.700 -0.689 0.000 0.783 297 F N 0.680 120.521 119.950 -0.182 0.000 2.102 297 F HA -0.179 4.347 4.527 -0.000 0.000 0.298 297 F C 2.268 178.009 175.800 -0.099 0.000 1.105 297 F CA 1.175 59.091 58.000 -0.140 0.000 1.239 297 F CB -0.799 38.150 39.000 -0.085 0.000 0.991 297 F HN -0.226 nan 8.300 nan 0.000 0.474 298 L N 0.188 121.535 121.223 0.205 0.000 2.141 298 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 298 L C 2.137 179.003 176.870 -0.006 0.000 1.094 298 L CA 1.664 56.578 54.840 0.123 0.000 0.763 298 L CB -0.678 41.465 42.059 0.141 0.000 0.908 298 L HN 0.231 nan 8.230 nan 0.000 0.437 299 M N -1.257 118.330 119.600 -0.022 0.000 2.117 299 M HA -0.116 4.364 4.480 -0.000 0.000 0.262 299 M C 2.102 178.336 176.300 -0.110 0.000 1.065 299 M CA 1.716 56.996 55.300 -0.032 0.000 1.114 299 M CB -0.961 31.642 32.600 0.005 0.000 1.361 299 M HN 0.438 nan 8.290 nan 0.000 0.408 300 G N -0.243 108.427 108.800 -0.217 0.000 2.394 300 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.215 300 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.215 300 G C 1.627 176.356 174.900 -0.285 0.000 1.165 300 G CA 0.819 45.754 45.100 -0.275 0.000 0.784 300 G HN 0.522 nan 8.290 nan 0.000 0.535 301 A N 0.848 123.466 122.820 -0.337 0.000 1.908 301 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 301 A C 2.687 180.188 177.584 -0.138 0.000 1.181 301 A CA 2.304 54.183 52.037 -0.263 0.000 0.627 301 A CB -0.588 18.298 19.000 -0.190 0.000 0.818 301 A HN 0.305 nan 8.150 nan 0.000 0.445 302 S N 0.264 115.908 115.700 -0.093 0.000 2.383 302 S HA -0.134 4.336 4.470 -0.000 0.000 0.227 302 S C 2.333 176.898 174.600 -0.058 0.000 1.026 302 S CA 1.593 59.763 58.200 -0.050 0.000 0.981 302 S CB -0.358 62.833 63.200 -0.016 0.000 0.818 302 S HN 0.897 nan 8.310 nan 0.000 0.472 303 S N 2.057 117.712 115.700 -0.076 0.000 2.428 303 S HA 0.122 4.591 4.470 -0.000 0.000 0.230 303 S C 1.959 176.500 174.600 -0.099 0.000 1.014 303 S CA 0.707 58.864 58.200 -0.072 0.000 0.957 303 S CB -0.424 62.732 63.200 -0.073 0.000 0.784 303 S HN 0.480 nan 8.310 nan 0.000 0.499 304 A N 1.936 124.680 122.820 -0.126 0.000 1.968 304 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 304 A C 2.263 179.775 177.584 -0.120 0.000 1.169 304 A CA 1.090 53.041 52.037 -0.144 0.000 0.638 304 A CB -0.399 18.497 19.000 -0.174 0.000 0.812 304 A HN 0.474 nan 8.150 nan 0.000 0.446 305 E N 0.168 120.315 120.200 -0.090 0.000 2.047 305 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 305 E C 1.980 178.543 176.600 -0.060 0.000 0.987 305 E CA 1.146 57.508 56.400 -0.064 0.000 0.799 305 E CB -0.399 29.277 29.700 -0.040 0.000 0.752 305 E HN 0.723 nan 8.360 nan 0.000 0.449 306 I N 0.828 121.365 120.570 -0.054 0.000 2.286 306 I HA -0.277 3.893 4.170 -0.000 0.000 0.248 306 I C 2.566 178.643 176.117 -0.066 0.000 1.115 306 I CA 0.912 62.187 61.300 -0.043 0.000 1.392 306 I CB -0.207 37.777 38.000 -0.027 0.000 1.065 306 I HN 0.106 nan 8.210 nan 0.000 0.418 307 M N 0.732 120.272 119.600 -0.100 0.000 2.229 307 M HA -0.128 4.351 4.480 -0.000 0.000 0.264 307 M C 2.005 178.200 176.300 -0.174 0.000 1.063 307 M CA 1.809 57.024 55.300 -0.141 0.000 1.114 307 M CB -0.369 32.127 32.600 -0.174 0.000 1.387 307 M HN 0.108 nan 8.290 nan 0.000 0.420 308 L N -0.868 120.259 121.223 -0.161 0.000 2.027 308 L HA -0.186 4.154 4.340 -0.000 0.000 0.206 308 L C 2.467 179.286 176.870 -0.085 0.000 1.074 308 L CA 1.333 56.080 54.840 -0.154 0.000 0.745 308 L CB -0.614 41.389 42.059 -0.094 0.000 0.898 308 L HN 0.250 nan 8.230 nan 0.000 0.433 309 R N -0.335 120.131 120.500 -0.057 0.000 2.152 309 R HA -0.177 4.163 4.340 -0.000 0.000 0.232 309 R C 2.264 178.549 176.300 -0.026 0.000 1.117 309 R CA 1.189 57.272 56.100 -0.029 0.000 0.981 309 R CB -0.156 30.134 30.300 -0.018 0.000 0.870 309 R HN 0.509 nan 8.270 nan 0.000 0.451 310 Q N -0.056 119.717 119.800 -0.044 0.000 2.212 310 Q HA 0.004 4.344 4.340 -0.000 0.000 0.199 310 Q C 1.914 177.894 176.000 -0.033 0.000 0.950 310 Q CA 0.785 56.569 55.803 -0.033 0.000 0.863 310 Q CB 0.179 28.892 28.738 -0.042 0.000 0.944 310 Q HN 0.326 nan 8.270 nan 0.000 0.465 311 L N 0.008 121.192 121.223 -0.064 0.000 2.313 311 L HA 0.021 4.361 4.340 -0.000 0.000 0.214 311 L C 1.641 178.524 176.870 0.021 0.000 1.119 311 L CA 0.316 55.134 54.840 -0.036 0.000 0.809 311 L CB -0.049 41.931 42.059 -0.132 0.000 0.933 311 L HN 0.082 nan 8.230 nan 0.000 0.449 312 A N -0.394 122.431 122.820 0.008 0.000 2.532 312 A HA 0.438 4.758 4.320 -0.000 0.000 0.273 312 A C 1.681 179.276 177.584 0.019 0.000 1.342 312 A CA 0.468 52.521 52.037 0.027 0.000 0.929 312 A CB -0.665 18.349 19.000 0.023 0.000 1.051 312 A HN 0.460 nan 8.150 nan 0.000 0.521 313 G N -0.337 108.472 108.800 0.016 0.000 2.228 313 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.270 313 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.270 313 G C 0.294 175.202 174.900 0.013 0.000 0.976 313 G CA 0.724 45.833 45.100 0.016 0.000 0.636 313 G HN 0.788 nan 8.290 nan 0.000 0.542 314 E N 0.372 120.578 120.200 0.009 0.000 2.436 314 E HA 0.299 4.649 4.350 -0.000 0.000 0.262 314 E C 0.188 176.796 176.600 0.013 0.000 1.063 314 E CA -0.191 56.214 56.400 0.010 0.000 0.944 314 E CB 0.263 29.967 29.700 0.006 0.000 0.950 314 E HN 0.013 nan 8.360 nan 0.000 0.444 315 K N 4.088 124.498 120.400 0.016 0.000 2.432 315 K HA 0.186 4.506 4.320 -0.000 0.000 0.226 315 K C -1.397 175.217 176.600 0.023 0.000 1.057 315 K CA -0.513 55.787 56.287 0.022 0.000 1.034 315 K CB 0.377 32.890 32.500 0.022 0.000 1.561 315 K HN 0.316 nan 8.250 nan 0.000 0.492 316 V N 2.457 122.386 119.914 0.025 0.000 2.655 316 V HA 0.139 4.259 4.120 -0.000 0.000 0.300 316 V C 0.989 177.105 176.094 0.038 0.000 1.044 316 V CA -0.687 61.630 62.300 0.028 0.000 1.095 316 V CB 0.824 32.662 31.823 0.026 0.000 0.952 316 V HN 0.658 nan 8.190 nan 0.000 0.485 317 A N 7.206 130.045 122.820 0.032 0.000 2.407 317 A HA 0.484 4.804 4.320 -0.000 0.000 0.248 317 A C -1.691 175.919 177.584 0.044 0.000 1.082 317 A CA -1.277 50.779 52.037 0.032 0.000 0.785 317 A CB -0.056 18.957 19.000 0.022 0.000 1.020 317 A HN 0.758 nan 8.150 nan 0.000 0.489 318 P HA 0.129 nan 4.420 nan 0.000 0.237 318 P C -0.642 176.670 177.300 0.020 0.000 1.788 318 P CA 0.199 63.324 63.100 0.042 0.000 1.061 318 P CB -0.327 31.373 31.700 0.001 0.000 1.967 319 E N 1.431 121.652 120.200 0.035 0.000 2.355 319 E HA 0.492 4.842 4.350 -0.000 0.000 0.261 319 E C -0.883 175.740 176.600 0.039 0.000 0.943 319 E CA -1.358 55.058 56.400 0.026 0.000 0.806 319 E CB 1.548 31.262 29.700 0.022 0.000 1.286 319 E HN -0.017 nan 8.360 nan 0.000 0.424 320 K N 1.063 121.483 120.400 0.033 0.000 2.227 320 K HA 0.284 4.604 4.320 -0.000 0.000 0.280 320 K C -0.465 176.161 176.600 0.043 0.000 1.041 320 K CA -0.273 56.039 56.287 0.042 0.000 0.905 320 K CB 1.203 33.725 32.500 0.038 0.000 1.068 320 K HN 0.472 nan 8.250 nan 0.000 0.470 321 M N 4.438 124.068 119.600 0.049 0.000 2.149 321 M HA 0.220 4.700 4.480 -0.000 0.000 0.342 321 M C -1.263 175.070 176.300 0.055 0.000 1.068 321 M CA -0.779 54.549 55.300 0.046 0.000 0.991 321 M CB 1.284 33.908 32.600 0.040 0.000 1.596 321 M HN 0.409 nan 8.290 nan 0.000 0.439 322 V N 7.214 127.162 119.914 0.057 0.000 2.439 322 V HA 0.465 4.585 4.120 -0.000 0.000 0.282 322 V C -0.629 175.509 176.094 0.073 0.000 1.039 322 V CA -0.569 61.773 62.300 0.070 0.000 0.913 322 V CB 1.373 33.240 31.823 0.072 0.000 0.983 322 V HN 0.762 nan 8.190 nan 0.000 0.460 323 I N 8.523 129.146 120.570 0.089 0.000 2.405 323 I HA 0.416 4.586 4.170 -0.000 0.000 0.280 323 I C -2.338 173.846 176.117 0.111 0.000 1.027 323 I CA -2.370 58.986 61.300 0.093 0.000 1.161 323 I CB 1.203 39.262 38.000 0.100 0.000 1.300 323 I HN 0.476 nan 8.210 nan 0.000 0.463 324 P HA 0.091 nan 4.420 nan 0.000 0.266 324 P C -0.312 177.057 177.300 0.116 0.000 1.195 324 P CA -0.118 63.045 63.100 0.104 0.000 0.768 324 P CB 0.791 32.538 31.700 0.080 0.000 0.838 325 A N 3.543 126.444 122.820 0.134 0.000 2.316 325 A HA 0.294 4.614 4.320 -0.000 0.000 0.311 325 A C 0.068 177.694 177.584 0.070 0.000 1.339 325 A CA -0.479 51.639 52.037 0.134 0.000 0.960 325 A CB -0.144 18.980 19.000 0.207 0.000 1.152 325 A HN 0.246 nan 8.150 nan 0.000 0.547 326 K N 1.760 122.191 120.400 0.052 0.000 2.270 326 K HA 0.176 4.496 4.320 -0.000 0.000 0.276 326 K C -0.288 176.304 176.600 -0.014 0.000 1.023 326 K CA -0.554 55.745 56.287 0.020 0.000 0.955 326 K CB 1.160 33.673 32.500 0.022 0.000 0.975 326 K HN 0.547 nan 8.250 nan 0.000 0.471 327 L N 4.158 125.359 121.223 -0.036 0.000 2.648 327 L HA 0.039 4.379 4.340 -0.000 0.000 0.238 327 L C 0.533 177.366 176.870 -0.062 0.000 1.316 327 L CA 0.028 54.827 54.840 -0.069 0.000 1.241 327 L CB -0.577 41.429 42.059 -0.089 0.000 1.499 327 L HN 0.534 nan 8.230 nan 0.000 0.411 328 Q N 0.000 119.776 119.800 -0.039 0.000 2.315 328 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 328 Q CA 0.000 55.785 55.803 -0.030 0.000 1.022 328 Q CB 0.000 28.732 28.738 -0.011 0.000 1.108 328 Q HN 0.000 nan 8.270 nan 0.000 0.481