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 2fm0_1_B DATA FIRST_RESID 86 DATA SEQUENCE TEQEDVLAKE LEDVNKWGLH VFRIAELSGN RPLTVIMHTI FQERDLLKTF DATA SEQUENCE KIPVDTLITY LMTLEDHYHA DVAYHNNIHA ADVVQSTHVL LSTPALEAVF DATA SEQUENCE TDLEILAAIF ASAIHDVDHP GVSNQFLINT NSELALMYND SSVLENHHLA DATA SEQUENCE VGFKLLQEEN CDIFQNLTKK QRQSLRKMVI DIVLATDMSK HMNLLADLKT DATA SEQUENCE MVETKKVTSS GVLLLDNYSD RIQVLQNMVH CADLSNPTKP LQLYRQWTDR DATA SEQUENCE IMEEFFRQGD RERERGMEIS PMCDKHNASV EKSQVGFIDY IVHPLWETWA DATA SEQUENCE DLVHPDAQDI LDTLEDNREW YQSTIPQ 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 86 T HA 0.000 nan 4.350 nan 0.000 0.228 86 T C 0.000 174.701 174.700 0.002 0.000 1.109 86 T CA 0.000 62.101 62.100 0.001 0.000 1.349 86 T CB 0.000 68.870 68.868 0.002 0.000 0.612 87 E N 2.123 122.324 120.200 0.001 0.000 2.058 87 E HA -0.216 4.238 4.350 0.174 0.000 0.194 87 E C 1.875 178.476 176.600 0.003 0.000 0.997 87 E CA 1.367 57.768 56.400 0.002 0.000 0.801 87 E CB -0.460 29.241 29.700 0.001 0.000 0.746 87 E HN 0.631 nan 8.360 nan 0.000 0.450 88 Q N 0.471 120.272 119.800 0.002 0.000 2.311 88 Q HA -0.077 4.367 4.340 0.174 0.000 0.203 88 Q C 1.980 177.982 176.000 0.004 0.000 0.954 88 Q CA 0.825 56.630 55.803 0.003 0.000 0.885 88 Q CB 0.021 28.760 28.738 0.001 0.000 0.963 88 Q HN 0.423 nan 8.270 nan 0.000 0.471 89 E N 1.155 121.357 120.200 0.003 0.000 2.331 89 E HA -0.223 4.231 4.350 0.174 0.000 0.199 89 E C 0.773 177.378 176.600 0.007 0.000 1.008 89 E CA 0.992 57.395 56.400 0.005 0.000 0.843 89 E CB 0.230 29.932 29.700 0.005 0.000 0.761 89 E HN 0.346 nan 8.360 nan 0.000 0.507 90 D N -0.353 120.051 120.400 0.007 0.000 2.162 90 D HA -0.092 4.652 4.640 0.174 0.000 0.205 90 D C 2.057 178.362 176.300 0.008 0.000 0.964 90 D CA 0.758 54.762 54.000 0.007 0.000 0.847 90 D CB 0.073 40.877 40.800 0.006 0.000 0.988 90 D HN 0.134 nan 8.370 nan 0.000 0.480 91 V N 1.938 121.858 119.914 0.009 0.000 2.358 91 V HA -0.179 4.046 4.120 0.174 0.000 0.246 91 V C 2.625 178.726 176.094 0.012 0.000 1.047 91 V CA 1.002 63.309 62.300 0.012 0.000 1.035 91 V CB -0.459 31.373 31.823 0.014 0.000 0.658 91 V HN 0.162 nan 8.190 nan 0.000 0.452 92 L N 0.114 121.343 121.223 0.009 0.000 1.994 92 L HA -0.186 4.258 4.340 0.174 0.000 0.208 92 L C 2.657 179.530 176.870 0.005 0.000 1.071 92 L CA 1.938 56.782 54.840 0.007 0.000 0.745 92 L CB -0.590 41.472 42.059 0.006 0.000 0.892 92 L HN 0.352 nan 8.230 nan 0.000 0.431 93 A N 0.033 122.857 122.820 0.007 0.000 1.892 93 A HA -0.287 4.137 4.320 0.174 0.000 0.218 93 A C 2.245 179.830 177.584 0.002 0.000 1.188 93 A CA 2.219 54.260 52.037 0.007 0.000 0.631 93 A CB -0.517 18.490 19.000 0.010 0.000 0.822 93 A HN 0.465 nan 8.150 nan 0.000 0.447 94 K N -0.720 119.681 120.400 0.001 0.000 2.057 94 K HA -0.128 4.296 4.320 0.174 0.000 0.207 94 K C 2.000 178.590 176.600 -0.016 0.000 1.049 94 K CA 1.289 57.574 56.287 -0.004 0.000 0.931 94 K CB -0.162 32.338 32.500 0.000 0.000 0.714 94 K HN 0.399 nan 8.250 nan 0.000 0.440 95 E N 1.121 121.313 120.200 -0.014 0.000 2.085 95 E HA -0.163 4.291 4.350 0.174 0.000 0.194 95 E C 2.004 178.578 176.600 -0.044 0.000 0.994 95 E CA 1.010 57.390 56.400 -0.033 0.000 0.801 95 E CB -0.202 29.497 29.700 -0.002 0.000 0.743 95 E HN 0.325 nan 8.360 nan 0.000 0.453 96 L N 0.935 122.144 121.223 -0.022 0.000 2.456 96 L HA -0.131 4.313 4.340 0.174 0.000 0.224 96 L C 2.066 178.927 176.870 -0.016 0.000 1.148 96 L CA 0.631 55.459 54.840 -0.019 0.000 0.825 96 L CB -0.320 41.733 42.059 -0.009 0.000 0.937 96 L HN 0.104 nan 8.230 nan 0.000 0.450 97 E N 0.043 120.232 120.200 -0.017 0.000 2.331 97 E HA -0.199 4.255 4.350 0.174 0.000 0.199 97 E C 0.747 177.344 176.600 -0.005 0.000 1.008 97 E CA 0.817 57.212 56.400 -0.008 0.000 0.843 97 E CB 0.027 29.721 29.700 -0.010 0.000 0.761 97 E HN 0.526 nan 8.360 nan 0.000 0.507 98 D N 0.040 120.425 120.400 -0.026 0.000 2.328 98 D HA -0.005 4.739 4.640 0.174 0.000 0.221 98 D C 1.501 177.811 176.300 0.016 0.000 1.072 98 D CA 0.095 54.082 54.000 -0.021 0.000 0.850 98 D CB 0.597 41.345 40.800 -0.088 0.000 0.922 98 D HN 0.003 nan 8.370 nan 0.000 0.516 99 V N 1.617 121.547 119.914 0.026 0.000 2.660 99 V HA -0.230 3.994 4.120 0.174 0.000 0.257 99 V C 1.671 177.876 176.094 0.185 0.000 1.088 99 V CA 1.353 63.688 62.300 0.058 0.000 1.106 99 V CB -0.338 31.488 31.823 0.004 0.000 0.686 99 V HN 0.281 nan 8.190 nan 0.000 0.481 100 N N -0.576 118.226 118.700 0.170 0.000 2.280 100 N HA 0.083 4.927 4.740 0.174 0.000 0.192 100 N C 0.476 176.068 175.510 0.136 0.000 1.109 100 N CA 0.223 53.385 53.050 0.187 0.000 0.855 100 N CB 0.411 38.985 38.487 0.145 0.000 0.974 100 N HN 0.522 nan 8.380 nan 0.000 0.482 101 K N 0.115 120.585 120.400 0.118 0.000 2.138 101 K HA 0.161 4.585 4.320 0.174 0.000 0.263 101 K C -0.524 176.185 176.600 0.182 0.000 0.965 101 K CA -0.663 55.702 56.287 0.130 0.000 0.868 101 K CB 1.812 34.354 32.500 0.070 0.000 1.083 101 K HN 0.068 nan 8.250 nan 0.000 0.443 102 W N 2.353 123.657 121.300 0.007 0.000 2.437 102 W HA 0.179 4.944 4.660 0.175 0.000 0.312 102 W C 0.136 176.660 176.519 0.008 0.000 1.242 102 W CA 0.675 58.021 57.345 0.001 0.000 1.340 102 W CB 0.522 29.972 29.460 -0.018 0.000 1.327 102 W HN 0.964 nan 8.180 nan 0.000 0.476 103 G N 4.693 113.413 108.800 -0.134 0.000 2.147 103 G HA2 -0.233 3.831 3.960 0.174 0.000 0.128 103 G HA3 -0.233 3.831 3.960 0.174 0.000 0.128 103 G C -0.662 174.249 174.900 0.019 0.000 1.026 103 G CA -0.405 44.672 45.100 -0.037 0.000 0.693 103 G HN 0.558 nan 8.290 nan 0.000 0.499 104 L N 1.380 122.576 121.223 -0.045 0.000 2.529 104 L HA 0.343 4.787 4.340 0.174 0.000 0.287 104 L C 0.903 177.817 176.870 0.075 0.000 1.241 104 L CA 0.295 55.106 54.840 -0.048 0.000 0.857 104 L CB -0.054 41.969 42.059 -0.060 0.000 1.113 104 L HN 0.352 nan 8.230 nan 0.000 0.504 105 H N 4.361 123.420 119.070 -0.017 0.000 2.970 105 H HA 0.053 4.713 4.556 0.173 0.000 0.226 105 H C 1.289 176.593 175.328 -0.039 0.000 1.909 105 H CA -0.183 55.865 56.048 0.001 0.000 1.388 105 H CB 0.427 30.196 29.762 0.011 0.000 1.773 105 H HN 0.664 nan 8.280 nan 0.000 0.559 106 V N 1.554 121.464 119.914 -0.007 0.000 2.380 106 V HA -0.321 3.903 4.120 0.174 0.000 0.251 106 V C 1.492 177.429 176.094 -0.262 0.000 1.063 106 V CA 1.865 64.057 62.300 -0.180 0.000 1.055 106 V CB -0.498 31.155 31.823 -0.282 0.000 0.657 106 V HN 0.530 nan 8.190 nan 0.000 0.455 107 F N 0.430 120.334 119.950 -0.078 0.000 2.186 107 F HA -0.018 4.612 4.527 0.172 0.000 0.299 107 F C 2.570 178.320 175.800 -0.083 0.000 1.090 107 F CA 1.742 59.663 58.000 -0.133 0.000 1.307 107 F CB -0.562 38.306 39.000 -0.220 0.000 1.019 107 F HN 0.057 nan 8.300 nan 0.000 0.489 108 R N 0.208 120.781 120.500 0.121 0.000 2.075 108 R HA -0.103 4.342 4.340 0.174 0.000 0.232 108 R C 2.222 178.546 176.300 0.040 0.000 1.126 108 R CA 1.448 57.592 56.100 0.073 0.000 0.963 108 R CB -0.565 29.794 30.300 0.099 0.000 0.858 108 R HN 0.297 nan 8.270 nan 0.000 0.435 109 I N 0.621 121.205 120.570 0.024 0.000 2.286 109 I HA -0.265 4.010 4.170 0.174 0.000 0.248 109 I C 2.586 178.690 176.117 -0.023 0.000 1.115 109 I CA 1.107 62.402 61.300 -0.007 0.000 1.392 109 I CB -0.442 37.541 38.000 -0.029 0.000 1.065 109 I HN 0.207 nan 8.210 nan 0.000 0.418 110 A N 0.849 123.648 122.820 -0.035 0.000 1.883 110 A HA -0.242 4.182 4.320 0.174 0.000 0.217 110 A C 2.210 179.786 177.584 -0.014 0.000 1.186 110 A CA 1.871 53.886 52.037 -0.037 0.000 0.624 110 A CB -0.599 18.378 19.000 -0.038 0.000 0.822 110 A HN 0.463 nan 8.150 nan 0.000 0.444 111 E N -0.073 120.129 120.200 0.003 0.000 2.031 111 E HA -0.144 4.310 4.350 0.174 0.000 0.193 111 E C 2.032 178.630 176.600 -0.003 0.000 0.994 111 E CA 1.240 57.640 56.400 0.001 0.000 0.800 111 E CB -0.395 29.308 29.700 0.005 0.000 0.752 111 E HN 0.602 nan 8.360 nan 0.000 0.447 112 L N 1.322 122.546 121.223 0.001 0.000 2.043 112 L HA -0.192 4.252 4.340 0.174 0.000 0.212 112 L C 2.617 179.483 176.870 -0.006 0.000 1.075 112 L CA 1.486 56.325 54.840 -0.000 0.000 0.752 112 L CB -0.640 41.422 42.059 0.005 0.000 0.891 112 L HN 0.199 nan 8.230 nan 0.000 0.432 113 S N -0.493 115.200 115.700 -0.011 0.000 2.603 113 S HA 0.135 4.709 4.470 0.174 0.000 0.220 113 S C 1.363 175.952 174.600 -0.019 0.000 0.967 113 S CA 0.262 58.452 58.200 -0.017 0.000 0.920 113 S CB 0.021 63.206 63.200 -0.024 0.000 0.773 113 S HN 0.572 nan 8.310 nan 0.000 0.529 114 G N 1.935 110.726 108.800 -0.016 0.000 2.289 114 G HA2 -0.306 3.758 3.960 0.174 0.000 0.280 114 G HA3 -0.306 3.758 3.960 0.174 0.000 0.280 114 G C 0.154 175.043 174.900 -0.019 0.000 1.089 114 G CA 0.065 45.155 45.100 -0.016 0.000 0.939 114 G HN 1.073 nan 8.290 nan 0.000 0.499 115 N N -1.213 117.475 118.700 -0.020 0.000 2.758 115 N HA -0.192 4.652 4.740 0.174 0.000 0.248 115 N C 0.665 176.154 175.510 -0.035 0.000 1.076 115 N CA 1.705 54.741 53.050 -0.024 0.000 0.696 115 N CB -0.655 37.823 38.487 -0.015 0.000 0.979 115 N HN 0.803 nan 8.380 nan 0.000 0.550 116 R N -0.400 120.075 120.500 -0.042 0.000 2.772 116 R HA 0.188 4.632 4.340 0.174 0.000 0.358 116 R C -1.788 174.474 176.300 -0.062 0.000 1.143 116 R CA -0.762 55.307 56.100 -0.051 0.000 1.153 116 R CB 0.885 31.158 30.300 -0.045 0.000 1.329 116 R HN 0.319 nan 8.270 nan 0.000 0.615 117 P HA -0.179 nan 4.420 nan 0.000 0.216 117 P C 1.394 178.632 177.300 -0.103 0.000 1.153 117 P CA 0.754 63.798 63.100 -0.092 0.000 0.848 117 P CB 0.367 31.995 31.700 -0.121 0.000 0.787 118 L N 0.100 121.243 121.223 -0.134 0.000 2.017 118 L HA -0.103 4.341 4.340 0.174 0.000 0.208 118 L C 2.354 179.168 176.870 -0.094 0.000 1.073 118 L CA 2.325 57.078 54.840 -0.145 0.000 0.745 118 L CB -1.779 40.154 42.059 -0.210 0.000 0.894 118 L HN -0.065 nan 8.230 nan 0.000 0.432 119 T N -1.124 113.380 114.554 -0.082 0.000 2.674 119 T HA -0.158 4.296 4.350 0.174 0.000 0.265 119 T C 1.956 176.642 174.700 -0.024 0.000 1.039 119 T CA 1.748 63.809 62.100 -0.065 0.000 1.150 119 T CB -0.397 68.427 68.868 -0.072 0.000 0.864 119 T HN 0.186 nan 8.240 nan 0.000 0.427 120 V N 1.475 121.376 119.914 -0.021 0.000 2.255 120 V HA -0.157 4.067 4.120 0.174 0.000 0.247 120 V C 2.433 178.547 176.094 0.033 0.000 1.051 120 V CA 1.596 63.907 62.300 0.019 0.000 1.018 120 V CB -0.626 31.196 31.823 -0.002 0.000 0.641 120 V HN 0.470 nan 8.190 nan 0.000 0.445 121 I N -0.960 119.603 120.570 -0.012 0.000 2.163 121 I HA -0.291 3.983 4.170 0.174 0.000 0.243 121 I C 2.619 178.736 176.117 -0.001 0.000 1.085 121 I CA 1.533 62.819 61.300 -0.025 0.000 1.347 121 I CB -0.364 37.602 38.000 -0.056 0.000 1.044 121 I HN 0.281 nan 8.210 nan 0.000 0.408 122 M N -0.293 119.313 119.600 0.010 0.000 2.108 122 M HA -0.259 4.325 4.480 0.174 0.000 0.261 122 M C 2.451 178.798 176.300 0.078 0.000 1.066 122 M CA 1.902 57.231 55.300 0.048 0.000 1.107 122 M CB -1.423 31.153 32.600 -0.040 0.000 1.356 122 M HN 0.314 nan 8.290 nan 0.000 0.406 123 H N 0.255 119.293 119.070 -0.053 0.000 2.321 123 H HA -0.086 4.574 4.556 0.173 0.000 0.300 123 H C 1.766 177.128 175.328 0.057 0.000 1.087 123 H CA 2.521 58.554 56.048 -0.025 0.000 1.319 123 H CB -0.234 29.505 29.762 -0.039 0.000 1.379 123 H HN 0.261 nan 8.280 nan 0.000 0.501 124 T N 0.814 115.334 114.554 -0.056 0.000 2.684 124 T HA -0.141 4.313 4.350 0.174 0.000 0.267 124 T C 2.258 176.897 174.700 -0.101 0.000 1.036 124 T CA 1.756 63.787 62.100 -0.115 0.000 1.148 124 T CB -0.323 68.511 68.868 -0.055 0.000 0.863 124 T HN 0.301 nan 8.240 nan 0.000 0.436 125 I N -0.097 120.430 120.570 -0.071 0.000 2.226 125 I HA -0.129 4.145 4.170 0.174 0.000 0.245 125 I C 2.048 178.185 176.117 0.033 0.000 1.100 125 I CA 1.280 62.495 61.300 -0.141 0.000 1.374 125 I CB -0.357 37.523 38.000 -0.200 0.000 1.057 125 I HN 0.141 nan 8.210 nan 0.000 0.413 126 F N 0.906 120.809 119.950 -0.078 0.000 2.146 126 F HA -0.205 4.427 4.527 0.174 0.000 0.298 126 F C 2.728 178.500 175.800 -0.047 0.000 1.096 126 F CA 1.276 59.269 58.000 -0.010 0.000 1.275 126 F CB -0.562 38.461 39.000 0.037 0.000 1.008 126 F HN 0.070 nan 8.300 nan 0.000 0.480 127 Q N 0.076 119.893 119.800 0.028 0.000 2.016 127 Q HA -0.220 4.225 4.340 0.174 0.000 0.200 127 Q C 2.237 178.224 176.000 -0.022 0.000 0.978 127 Q CA 1.632 57.403 55.803 -0.052 0.000 0.833 127 Q CB -0.710 27.910 28.738 -0.196 0.000 0.895 127 Q HN 0.426 nan 8.270 nan 0.000 0.427 128 E N 1.042 121.223 120.200 -0.031 0.000 2.070 128 E HA -0.187 4.267 4.350 0.174 0.000 0.197 128 E C 1.543 178.157 176.600 0.023 0.000 1.004 128 E CA 1.467 57.866 56.400 -0.002 0.000 0.805 128 E CB 0.001 29.696 29.700 -0.008 0.000 0.744 128 E HN 0.177 nan 8.360 nan 0.000 0.451 129 R N -0.062 120.449 120.500 0.017 0.000 2.313 129 R HA 0.027 4.472 4.340 0.174 0.000 0.199 129 R C 0.198 176.496 176.300 -0.004 0.000 0.958 129 R CA 0.685 56.796 56.100 0.018 0.000 1.047 129 R CB -0.022 30.279 30.300 0.002 0.000 0.955 129 R HN 0.214 nan 8.270 nan 0.000 0.481 130 D N -0.065 120.337 120.400 0.003 0.000 2.911 130 D HA -0.193 4.551 4.640 0.174 0.000 0.227 130 D C 0.505 176.808 176.300 0.004 0.000 1.164 130 D CA 0.451 54.455 54.000 0.005 0.000 0.782 130 D CB -0.978 39.816 40.800 -0.010 0.000 1.094 130 D HN 0.260 nan 8.370 nan 0.000 0.425 131 L N -0.675 120.557 121.223 0.015 0.000 2.191 131 L HA -0.143 4.301 4.340 0.174 0.000 0.212 131 L C 2.320 179.317 176.870 0.212 0.000 1.103 131 L CA 0.745 55.624 54.840 0.065 0.000 0.769 131 L CB -0.285 41.660 42.059 -0.190 0.000 0.908 131 L HN 0.236 nan 8.230 nan 0.000 0.438 132 L N -0.389 120.965 121.223 0.218 0.000 2.056 132 L HA -0.200 4.244 4.340 0.174 0.000 0.207 132 L C 2.512 179.462 176.870 0.134 0.000 1.078 132 L CA 1.694 56.668 54.840 0.223 0.000 0.749 132 L CB -0.542 41.633 42.059 0.193 0.000 0.901 132 L HN 0.113 nan 8.230 nan 0.000 0.433 133 K N -0.990 119.448 120.400 0.064 0.000 2.031 133 K HA -0.069 4.355 4.320 0.174 0.000 0.205 133 K C 2.107 178.681 176.600 -0.043 0.000 1.049 133 K CA 1.638 57.935 56.287 0.017 0.000 0.939 133 K CB -0.518 31.980 32.500 -0.003 0.000 0.717 133 K HN 0.210 nan 8.250 nan 0.000 0.438 134 T N 1.068 115.541 114.554 -0.134 0.000 2.653 134 T HA -0.161 4.294 4.350 0.174 0.000 0.268 134 T C 1.114 175.525 174.700 -0.482 0.000 1.035 134 T CA 1.561 63.432 62.100 -0.382 0.000 1.154 134 T CB -0.222 68.274 68.868 -0.620 0.000 0.862 134 T HN 0.099 nan 8.240 nan 0.000 0.441 135 F N 0.883 120.867 119.950 0.057 0.000 2.647 135 F HA 0.402 5.035 4.527 0.176 0.000 0.300 135 F C 0.671 176.516 175.800 0.076 0.000 1.106 135 F CA -0.804 57.240 58.000 0.074 0.000 1.313 135 F CB -0.398 38.669 39.000 0.112 0.000 1.007 135 F HN -0.066 nan 8.300 nan 0.000 0.536 136 K N 1.368 121.861 120.400 0.156 0.000 3.490 136 K HA -0.209 4.215 4.320 0.174 0.000 0.273 136 K C -0.519 176.163 176.600 0.137 0.000 0.916 136 K CA 0.371 56.729 56.287 0.118 0.000 0.718 136 K CB -1.714 30.839 32.500 0.089 0.000 1.477 136 K HN 0.369 nan 8.250 nan 0.000 0.452 137 I N 2.447 123.115 120.570 0.163 0.000 2.291 137 I HA 0.165 4.439 4.170 0.174 0.000 0.290 137 I C -1.549 174.625 176.117 0.096 0.000 1.050 137 I CA -2.363 59.016 61.300 0.132 0.000 1.245 137 I CB 0.563 38.673 38.000 0.183 0.000 1.405 137 I HN -0.002 nan 8.210 nan 0.000 0.478 138 P HA -0.014 nan 4.420 nan 0.000 0.265 138 P C 1.131 178.461 177.300 0.049 0.000 1.193 138 P CA -0.010 63.120 63.100 0.049 0.000 0.765 138 P CB 1.241 32.960 31.700 0.031 0.000 0.823 139 V N 3.106 123.056 119.914 0.060 0.000 2.282 139 V HA -0.285 3.939 4.120 0.174 0.000 0.249 139 V C 2.319 178.421 176.094 0.014 0.000 1.057 139 V CA 2.581 64.919 62.300 0.064 0.000 1.032 139 V CB -1.328 30.541 31.823 0.077 0.000 0.645 139 V HN 0.599 nan 8.190 nan 0.000 0.447 140 D N -0.112 120.291 120.400 0.005 0.000 2.178 140 D HA -0.175 4.570 4.640 0.174 0.000 0.201 140 D C 1.905 178.201 176.300 -0.008 0.000 0.980 140 D CA 1.906 55.900 54.000 -0.011 0.000 0.842 140 D CB -0.847 39.950 40.800 -0.004 0.000 0.948 140 D HN 0.440 nan 8.370 nan 0.000 0.472 141 T N 0.687 115.241 114.554 -0.000 0.000 2.777 141 T HA -0.062 4.392 4.350 0.174 0.000 0.266 141 T C 1.862 176.560 174.700 -0.004 0.000 1.040 141 T CA 0.858 62.957 62.100 -0.003 0.000 1.141 141 T CB -0.324 68.534 68.868 -0.015 0.000 0.868 141 T HN 0.087 nan 8.240 nan 0.000 0.444 142 L N 1.169 122.381 121.223 -0.018 0.000 1.994 142 L HA 0.060 4.504 4.340 0.174 0.000 0.208 142 L C 2.165 179.016 176.870 -0.031 0.000 1.071 142 L CA 1.615 56.429 54.840 -0.044 0.000 0.745 142 L CB -0.585 41.446 42.059 -0.046 0.000 0.892 142 L HN 0.240 nan 8.230 nan 0.000 0.431 143 I N -1.048 119.488 120.570 -0.057 0.000 2.286 143 I HA -0.286 3.989 4.170 0.174 0.000 0.248 143 I C 2.197 178.282 176.117 -0.054 0.000 1.115 143 I CA 1.580 62.825 61.300 -0.092 0.000 1.392 143 I CB -0.705 37.204 38.000 -0.151 0.000 1.065 143 I HN 0.308 nan 8.210 nan 0.000 0.418 144 T N -0.027 114.515 114.554 -0.021 0.000 2.746 144 T HA -0.252 4.202 4.350 0.174 0.000 0.267 144 T C 1.790 176.494 174.700 0.008 0.000 1.039 144 T CA 1.556 63.653 62.100 -0.005 0.000 1.142 144 T CB -0.437 68.439 68.868 0.014 0.000 0.866 144 T HN 0.362 nan 8.240 nan 0.000 0.444 145 Y N 1.662 121.925 120.300 -0.063 0.000 2.200 145 Y HA -0.012 4.643 4.550 0.175 0.000 0.290 145 Y C 1.989 177.864 175.900 -0.043 0.000 1.137 145 Y CA 0.966 59.033 58.100 -0.054 0.000 1.163 145 Y CB -0.500 37.908 38.460 -0.086 0.000 0.988 145 Y HN 0.116 nan 8.280 nan 0.000 0.518 146 L N -0.563 120.601 121.223 -0.098 0.000 2.017 146 L HA -0.294 4.150 4.340 0.174 0.000 0.208 146 L C 2.496 179.261 176.870 -0.175 0.000 1.073 146 L CA 1.866 56.610 54.840 -0.159 0.000 0.745 146 L CB -0.572 41.432 42.059 -0.092 0.000 0.894 146 L HN 0.329 nan 8.230 nan 0.000 0.432 147 M N -1.135 118.392 119.600 -0.122 0.000 2.159 147 M HA -0.162 4.423 4.480 0.174 0.000 0.263 147 M C 2.263 178.519 176.300 -0.074 0.000 1.063 147 M CA 1.782 57.032 55.300 -0.082 0.000 1.110 147 M CB -0.686 31.879 32.600 -0.058 0.000 1.374 147 M HN 0.215 nan 8.290 nan 0.000 0.411 148 T N 1.331 115.813 114.554 -0.121 0.000 2.708 148 T HA -0.131 4.323 4.350 0.174 0.000 0.266 148 T C 1.723 176.367 174.700 -0.093 0.000 1.037 148 T CA 1.250 63.302 62.100 -0.080 0.000 1.146 148 T CB -0.318 68.471 68.868 -0.131 0.000 0.865 148 T HN 0.248 nan 8.240 nan 0.000 0.435 149 L N 1.417 122.421 121.223 -0.365 0.000 2.017 149 L HA -0.020 4.424 4.340 0.174 0.000 0.208 149 L C 2.434 179.341 176.870 0.061 0.000 1.073 149 L CA 2.004 56.673 54.840 -0.284 0.000 0.745 149 L CB -0.683 41.090 42.059 -0.477 0.000 0.894 149 L HN 0.265 nan 8.230 nan 0.000 0.432 150 E N -0.843 119.374 120.200 0.029 0.000 2.110 150 E HA -0.254 4.200 4.350 0.174 0.000 0.193 150 E C 1.606 178.302 176.600 0.160 0.000 0.988 150 E CA 1.450 57.914 56.400 0.107 0.000 0.804 150 E CB -0.063 29.625 29.700 -0.019 0.000 0.745 150 E HN 0.544 nan 8.360 nan 0.000 0.458 151 D N -0.550 119.915 120.400 0.108 0.000 2.264 151 D HA -0.118 4.626 4.640 0.174 0.000 0.208 151 D C 0.926 177.240 176.300 0.022 0.000 0.966 151 D CA 0.925 54.962 54.000 0.061 0.000 0.864 151 D CB -0.140 40.676 40.800 0.027 0.000 0.933 151 D HN 0.363 nan 8.370 nan 0.000 0.499 152 H N -1.681 117.415 119.070 0.043 0.000 2.533 152 H HA 0.145 4.790 4.556 0.149 0.000 0.271 152 H C -0.390 174.966 175.328 0.048 0.000 1.000 152 H CA -0.016 56.048 56.048 0.027 0.000 1.149 152 H CB -0.180 29.552 29.762 -0.050 0.000 1.375 152 H HN 0.104 nan 8.280 nan 0.000 0.582 153 Y N 0.559 120.958 120.300 0.164 0.000 2.310 153 Y HA 0.156 4.829 4.550 0.204 0.000 0.326 153 Y C 0.525 176.576 175.900 0.252 0.000 1.151 153 Y CA -0.556 57.641 58.100 0.161 0.000 1.195 153 Y CB 0.614 39.104 38.460 0.050 0.000 1.210 153 Y HN 0.244 nan 8.280 nan 0.000 0.483 154 H N 2.359 121.529 119.070 0.167 0.000 2.742 154 H HA 0.222 4.827 4.556 0.082 0.000 0.302 154 H C 0.451 175.842 175.328 0.105 0.000 1.069 154 H CA -0.062 56.052 56.048 0.109 0.000 1.446 154 H CB 1.319 31.144 29.762 0.105 0.000 1.462 154 H HN 0.960 nan 8.280 nan 0.000 0.499 155 A N 3.461 126.380 122.820 0.165 0.000 2.067 155 A HA -0.174 4.251 4.320 0.174 0.000 0.219 155 A C 1.839 179.481 177.584 0.097 0.000 1.158 155 A CA 1.373 53.472 52.037 0.103 0.000 0.661 155 A CB -0.111 18.919 19.000 0.051 0.000 0.801 155 A HN 0.861 nan 8.150 nan 0.000 0.452 156 D N -0.572 119.896 120.400 0.114 0.000 2.355 156 D HA 0.036 4.780 4.640 0.174 0.000 0.218 156 D C 0.166 176.538 176.300 0.119 0.000 1.004 156 D CA 0.179 54.237 54.000 0.097 0.000 0.880 156 D CB -0.289 40.558 40.800 0.079 0.000 0.911 156 D HN 0.160 nan 8.370 nan 0.000 0.528 157 V N 1.504 121.514 119.914 0.159 0.000 2.461 157 V HA 0.332 4.557 4.120 0.174 0.000 0.275 157 V C 1.608 177.772 176.094 0.117 0.000 1.047 157 V CA -0.123 62.266 62.300 0.149 0.000 0.955 157 V CB 1.096 33.024 31.823 0.175 0.000 0.988 157 V HN 0.195 nan 8.190 nan 0.000 0.471 158 A N 4.225 127.108 122.820 0.105 0.000 1.877 158 A HA -0.187 4.237 4.320 0.174 0.000 0.216 158 A C 1.816 179.471 177.584 0.118 0.000 1.186 158 A CA 2.082 54.173 52.037 0.091 0.000 0.620 158 A CB -0.390 18.653 19.000 0.072 0.000 0.822 158 A HN 0.935 nan 8.150 nan 0.000 0.443 159 Y N -1.177 119.103 120.300 -0.034 0.000 2.447 159 Y HA 0.206 4.857 4.550 0.169 0.000 0.286 159 Y C 0.853 176.606 175.900 -0.244 0.000 1.153 159 Y CA 0.502 58.527 58.100 -0.125 0.000 1.241 159 Y CB 0.163 38.421 38.460 -0.336 0.000 1.284 159 Y HN 0.363 nan 8.280 nan 0.000 0.520 160 H N 2.135 121.185 119.070 -0.034 0.000 3.268 160 H HA 0.164 4.827 4.556 0.178 0.000 0.213 160 H C -0.715 174.629 175.328 0.027 0.000 1.858 160 H CA 0.029 55.974 56.048 -0.172 0.000 1.386 160 H CB -1.057 28.359 29.762 -0.578 0.000 1.734 160 H HN 0.416 nan 8.280 nan 0.000 0.612 161 N N -0.915 117.845 118.700 0.100 0.000 3.002 161 N HA 0.041 4.885 4.740 0.174 0.000 0.331 161 N C 1.082 176.548 175.510 -0.072 0.000 1.384 161 N CA -0.932 52.220 53.050 0.171 0.000 0.780 161 N CB 0.360 38.909 38.487 0.103 0.000 1.492 161 N HN 0.109 nan 8.380 nan 0.000 0.608 162 N N 0.167 118.767 118.700 -0.167 0.000 2.272 162 N HA -0.154 4.690 4.740 0.174 0.000 0.185 162 N C 1.166 176.465 175.510 -0.350 0.000 1.014 162 N CA 1.229 53.991 53.050 -0.481 0.000 0.870 162 N CB -0.480 37.877 38.487 -0.217 0.000 0.975 162 N HN 0.659 nan 8.380 nan 0.000 0.433 163 I N 0.502 120.967 120.570 -0.175 0.000 2.252 163 I HA -0.229 4.045 4.170 0.174 0.000 0.245 163 I C 2.648 178.724 176.117 -0.068 0.000 1.102 163 I CA 1.412 62.633 61.300 -0.131 0.000 1.385 163 I CB -0.560 37.381 38.000 -0.098 0.000 1.064 163 I HN 0.191 nan 8.210 nan 0.000 0.414 164 H N 1.627 120.585 119.070 -0.186 0.000 2.353 164 H HA -0.121 4.537 4.556 0.170 0.000 0.300 164 H C 2.136 177.268 175.328 -0.328 0.000 1.090 164 H CA 1.767 57.567 56.048 -0.413 0.000 1.327 164 H CB -0.080 29.294 29.762 -0.647 0.000 1.383 164 H HN 0.265 nan 8.280 nan 0.000 0.508 165 A N 1.145 123.672 122.820 -0.489 0.000 1.883 165 A HA -0.100 4.325 4.320 0.174 0.000 0.217 165 A C 2.703 180.065 177.584 -0.371 0.000 1.186 165 A CA 2.113 53.842 52.037 -0.513 0.000 0.624 165 A CB -1.534 16.915 19.000 -0.918 0.000 0.822 165 A HN 0.656 nan 8.150 nan 0.000 0.444 166 A N -0.091 122.529 122.820 -0.334 0.000 1.883 166 A HA -0.243 4.181 4.320 0.174 0.000 0.217 166 A C 1.855 179.310 177.584 -0.215 0.000 1.186 166 A CA 2.354 54.253 52.037 -0.230 0.000 0.624 166 A CB -0.833 18.047 19.000 -0.200 0.000 0.822 166 A HN 0.575 nan 8.150 nan 0.000 0.444 167 D N -0.520 119.730 120.400 -0.251 0.000 2.104 167 D HA -0.130 4.614 4.640 0.174 0.000 0.194 167 D C 1.758 177.872 176.300 -0.310 0.000 0.994 167 D CA 1.692 55.535 54.000 -0.263 0.000 0.830 167 D CB -0.129 40.501 40.800 -0.285 0.000 0.959 167 D HN 0.159 nan 8.370 nan 0.000 0.452 168 V N -0.260 119.425 119.914 -0.383 0.000 2.427 168 V HA -0.172 4.053 4.120 0.174 0.000 0.248 168 V C 2.598 178.568 176.094 -0.206 0.000 1.051 168 V CA 1.103 63.199 62.300 -0.340 0.000 1.048 168 V CB -0.289 31.258 31.823 -0.459 0.000 0.666 168 V HN 0.150 nan 8.190 nan 0.000 0.456 169 V N -0.260 119.558 119.914 -0.160 0.000 2.261 169 V HA -0.275 3.949 4.120 0.174 0.000 0.246 169 V C 2.559 178.651 176.094 -0.004 0.000 1.047 169 V CA 2.230 64.494 62.300 -0.060 0.000 1.015 169 V CB -0.629 31.170 31.823 -0.040 0.000 0.642 169 V HN 0.531 nan 8.190 nan 0.000 0.446 170 Q N -0.064 119.712 119.800 -0.039 0.000 2.124 170 Q HA -0.185 4.260 4.340 0.174 0.000 0.202 170 Q C 2.369 178.400 176.000 0.052 0.000 0.977 170 Q CA 2.247 58.061 55.803 0.018 0.000 0.850 170 Q CB -0.198 28.509 28.738 -0.052 0.000 0.901 170 Q HN 0.649 nan 8.270 nan 0.000 0.429 171 S N -0.191 115.469 115.700 -0.066 0.000 2.368 171 S HA -0.084 4.491 4.470 0.174 0.000 0.224 171 S C 1.965 176.661 174.600 0.160 0.000 1.029 171 S CA 1.489 59.664 58.200 -0.042 0.000 0.988 171 S CB -0.312 62.747 63.200 -0.236 0.000 0.838 171 S HN 0.451 nan 8.310 nan 0.000 0.462 172 T N 0.717 115.308 114.554 0.061 0.000 2.746 172 T HA -0.154 4.300 4.350 0.174 0.000 0.267 172 T C 1.721 176.490 174.700 0.115 0.000 1.039 172 T CA 1.764 63.895 62.100 0.051 0.000 1.142 172 T CB -0.434 68.425 68.868 -0.013 0.000 0.866 172 T HN 0.588 nan 8.240 nan 0.000 0.444 173 H N 0.878 119.984 119.070 0.059 0.000 2.352 173 H HA -0.033 4.627 4.556 0.174 0.000 0.299 173 H C 1.964 177.364 175.328 0.120 0.000 1.097 173 H CA 1.535 57.628 56.048 0.075 0.000 1.311 173 H CB -0.575 29.224 29.762 0.062 0.000 1.377 173 H HN 0.152 nan 8.280 nan 0.000 0.504 174 V N 0.651 120.586 119.914 0.035 0.000 2.307 174 V HA -0.216 4.009 4.120 0.174 0.000 0.245 174 V C 2.740 178.898 176.094 0.106 0.000 1.045 174 V CA 1.750 64.086 62.300 0.060 0.000 1.024 174 V CB -0.636 31.407 31.823 0.368 0.000 0.651 174 V HN 0.415 nan 8.190 nan 0.000 0.449 175 L N -0.660 120.688 121.223 0.208 0.000 2.127 175 L HA -0.196 4.248 4.340 0.174 0.000 0.211 175 L C 2.373 179.364 176.870 0.203 0.000 1.089 175 L CA 1.353 56.324 54.840 0.218 0.000 0.757 175 L CB -0.534 41.618 42.059 0.154 0.000 0.899 175 L HN 0.332 nan 8.230 nan 0.000 0.434 176 L N -1.067 120.224 121.223 0.114 0.000 2.093 176 L HA -0.142 4.303 4.340 0.174 0.000 0.208 176 L C 2.329 179.254 176.870 0.092 0.000 1.085 176 L CA 0.909 55.823 54.840 0.122 0.000 0.755 176 L CB -0.318 41.783 42.059 0.071 0.000 0.904 176 L HN 0.122 nan 8.230 nan 0.000 0.435 177 S N -1.268 114.426 115.700 -0.011 0.000 2.660 177 S HA -0.051 4.523 4.470 0.174 0.000 0.223 177 S C 0.926 175.535 174.600 0.014 0.000 0.963 177 S CA 0.141 58.325 58.200 -0.026 0.000 0.932 177 S CB -0.432 62.694 63.200 -0.123 0.000 0.775 177 S HN 0.355 nan 8.310 nan 0.000 0.531 178 T N 2.897 117.486 114.554 0.058 0.000 2.928 178 T HA 0.085 4.539 4.350 0.174 0.000 0.305 178 T C -1.588 173.119 174.700 0.013 0.000 1.035 178 T CA -1.494 60.633 62.100 0.046 0.000 1.145 178 T CB 0.680 69.606 68.868 0.098 0.000 0.963 178 T HN 0.010 nan 8.240 nan 0.000 0.545 179 P HA -0.115 nan 4.420 nan 0.000 0.215 179 P C 1.192 178.465 177.300 -0.045 0.000 1.163 179 P CA 1.495 64.576 63.100 -0.031 0.000 0.894 179 P CB -0.052 31.621 31.700 -0.044 0.000 0.791 180 A N -1.526 121.255 122.820 -0.065 0.000 2.234 180 A HA -0.090 4.334 4.320 0.174 0.000 0.216 180 A C 1.672 179.199 177.584 -0.094 0.000 1.167 180 A CA 1.177 53.160 52.037 -0.090 0.000 0.698 180 A CB -1.258 17.663 19.000 -0.130 0.000 0.779 180 A HN 0.205 nan 8.150 nan 0.000 0.475 181 L N -0.971 120.219 121.223 -0.055 0.000 3.122 181 L HA 0.201 4.646 4.340 0.174 0.000 0.274 181 L C 0.382 177.228 176.870 -0.041 0.000 1.222 181 L CA -0.305 54.500 54.840 -0.058 0.000 1.028 181 L CB 0.266 42.363 42.059 0.063 0.000 1.386 181 L HN 0.340 nan 8.230 nan 0.000 0.578 182 E N 1.506 121.684 120.200 -0.036 0.000 2.493 182 E HA 0.113 4.568 4.350 0.174 0.000 0.255 182 E C 1.152 177.728 176.600 -0.040 0.000 0.999 182 E CA 0.787 57.174 56.400 -0.022 0.000 0.934 182 E CB 0.511 30.197 29.700 -0.024 0.000 0.940 182 E HN 0.345 nan 8.360 nan 0.000 0.473 183 A N 2.744 125.554 122.820 -0.017 0.000 2.945 183 A HA -0.252 4.172 4.320 0.174 0.000 0.263 183 A C 1.174 178.717 177.584 -0.068 0.000 1.293 183 A CA 1.171 53.193 52.037 -0.024 0.000 0.944 183 A CB -2.112 16.872 19.000 -0.028 0.000 1.093 183 A HN 0.479 nan 8.150 nan 0.000 0.786 184 V N -1.520 118.310 119.914 -0.141 0.000 2.255 184 V HA 0.008 4.232 4.120 0.174 0.000 0.243 184 V C 1.436 177.333 176.094 -0.328 0.000 1.038 184 V CA 1.962 64.067 62.300 -0.325 0.000 1.008 184 V CB -0.567 30.882 31.823 -0.624 0.000 0.645 184 V HN 0.529 nan 8.190 nan 0.000 0.449 185 F N 1.217 121.179 119.950 0.020 0.000 2.389 185 F HA 0.416 5.049 4.527 0.176 0.000 0.337 185 F C 1.124 176.948 175.800 0.040 0.000 1.112 185 F CA -0.806 57.214 58.000 0.032 0.000 1.192 185 F CB 0.344 39.368 39.000 0.040 0.000 1.185 185 F HN 0.081 nan 8.300 nan 0.000 0.552 186 T N -1.930 112.781 114.554 0.262 0.000 2.766 186 T HA 0.085 4.540 4.350 0.174 0.000 0.295 186 T C 0.855 175.670 174.700 0.192 0.000 1.024 186 T CA -0.742 61.463 62.100 0.175 0.000 1.018 186 T CB 0.708 69.670 68.868 0.156 0.000 1.002 186 T HN 0.554 nan 8.240 nan 0.000 0.532 187 D N -0.074 120.431 120.400 0.174 0.000 2.218 187 D HA -0.071 4.673 4.640 0.174 0.000 0.204 187 D C 1.821 178.363 176.300 0.403 0.000 0.976 187 D CA 0.645 54.784 54.000 0.231 0.000 0.853 187 D CB -0.029 40.831 40.800 0.100 0.000 0.939 187 D HN 0.362 nan 8.370 nan 0.000 0.481 188 L N 1.264 122.712 121.223 0.374 0.000 2.131 188 L HA -0.073 4.371 4.340 0.174 0.000 0.206 188 L C 1.968 178.870 176.870 0.054 0.000 1.087 188 L CA 1.524 56.476 54.840 0.187 0.000 0.767 188 L CB -0.190 41.957 42.059 0.147 0.000 0.917 188 L HN -0.127 nan 8.230 nan 0.000 0.441 189 E N -0.492 119.768 120.200 0.101 0.000 2.106 189 E HA -0.179 4.276 4.350 0.174 0.000 0.192 189 E C 2.255 178.832 176.600 -0.038 0.000 0.984 189 E CA 1.409 57.829 56.400 0.034 0.000 0.806 189 E CB -0.127 29.638 29.700 0.108 0.000 0.750 189 E HN 0.522 nan 8.360 nan 0.000 0.458 190 I N 0.831 121.420 120.570 0.033 0.000 2.226 190 I HA -0.242 4.032 4.170 0.174 0.000 0.245 190 I C 2.447 178.566 176.117 0.005 0.000 1.100 190 I CA 0.510 61.819 61.300 0.016 0.000 1.374 190 I CB -0.147 37.902 38.000 0.081 0.000 1.057 190 I HN 0.147 nan 8.210 nan 0.000 0.413 191 L N 1.343 122.571 121.223 0.007 0.000 2.042 191 L HA -0.172 4.272 4.340 0.174 0.000 0.210 191 L C 2.571 179.472 176.870 0.051 0.000 1.076 191 L CA 2.188 57.006 54.840 -0.036 0.000 0.749 191 L CB -0.833 41.103 42.059 -0.206 0.000 0.893 191 L HN 0.188 nan 8.230 nan 0.000 0.432 192 A N -0.352 122.468 122.820 0.000 0.000 1.865 192 A HA -0.140 4.284 4.320 0.174 0.000 0.217 192 A C 2.478 180.116 177.584 0.091 0.000 1.191 192 A CA 2.154 54.224 52.037 0.055 0.000 0.623 192 A CB -1.341 17.661 19.000 0.003 0.000 0.826 192 A HN 0.606 nan 8.150 nan 0.000 0.444 193 A N -0.194 122.626 122.820 0.001 0.000 1.908 193 A HA -0.107 4.317 4.320 0.174 0.000 0.218 193 A C 2.143 179.746 177.584 0.031 0.000 1.181 193 A CA 1.655 53.674 52.037 -0.031 0.000 0.627 193 A CB -0.625 18.301 19.000 -0.123 0.000 0.818 193 A HN 0.520 nan 8.150 nan 0.000 0.445 194 I N -2.177 118.444 120.570 0.086 0.000 2.286 194 I HA -0.169 4.105 4.170 0.174 0.000 0.245 194 I C 2.341 178.597 176.117 0.231 0.000 1.104 194 I CA 1.286 62.675 61.300 0.147 0.000 1.397 194 I CB -0.317 37.784 38.000 0.169 0.000 1.072 194 I HN 0.425 nan 8.210 nan 0.000 0.417 195 F N 2.016 122.065 119.950 0.164 0.000 2.113 195 F HA -0.164 4.469 4.527 0.176 0.000 0.297 195 F C 2.498 178.370 175.800 0.120 0.000 1.103 195 F CA 1.308 59.434 58.000 0.210 0.000 1.248 195 F CB -0.389 38.767 39.000 0.259 0.000 0.999 195 F HN -0.014 nan 8.300 nan 0.000 0.475 196 A N -0.537 122.321 122.820 0.063 0.000 1.940 196 A HA -0.184 4.240 4.320 0.174 0.000 0.219 196 A C 2.368 179.907 177.584 -0.075 0.000 1.176 196 A CA 2.103 54.109 52.037 -0.052 0.000 0.631 196 A CB -1.269 17.750 19.000 0.033 0.000 0.814 196 A HN 0.443 nan 8.150 nan 0.000 0.446 197 S N -0.213 115.456 115.700 -0.051 0.000 2.368 197 S HA -0.037 4.537 4.470 0.174 0.000 0.225 197 S C 2.319 176.929 174.600 0.016 0.000 1.030 197 S CA 1.177 59.336 58.200 -0.068 0.000 0.999 197 S CB -0.479 62.673 63.200 -0.080 0.000 0.844 197 S HN 0.814 nan 8.310 nan 0.000 0.459 198 A N 1.737 124.528 122.820 -0.048 0.000 1.933 198 A HA -0.042 4.382 4.320 0.174 0.000 0.218 198 A C 2.064 179.625 177.584 -0.038 0.000 1.175 198 A CA 1.542 53.541 52.037 -0.062 0.000 0.628 198 A CB -0.701 18.266 19.000 -0.055 0.000 0.814 198 A HN 0.693 nan 8.150 nan 0.000 0.444 199 I N -3.289 117.166 120.570 -0.192 0.000 3.883 199 I HA 0.066 4.341 4.170 0.174 0.000 0.326 199 I C 1.922 177.967 176.117 -0.120 0.000 1.283 199 I CA 0.710 61.898 61.300 -0.187 0.000 1.161 199 I CB -0.524 37.203 38.000 -0.454 0.000 1.012 199 I HN 0.486 nan 8.210 nan 0.000 0.421 200 H N 1.014 120.010 119.070 -0.123 0.000 2.492 200 H HA -0.161 4.505 4.556 0.183 0.000 0.296 200 H C 0.160 175.333 175.328 -0.258 0.000 1.095 200 H CA 1.758 57.748 56.048 -0.097 0.000 1.281 200 H CB -0.194 29.542 29.762 -0.043 0.000 1.374 200 H HN 0.420 nan 8.280 nan 0.000 0.545 201 D N 0.894 120.781 120.400 -0.856 0.000 2.540 201 D HA 0.114 4.859 4.640 0.174 0.000 0.229 201 D C -0.045 175.698 176.300 -0.928 0.000 1.250 201 D CA -0.291 53.029 54.000 -1.133 0.000 0.817 201 D CB 0.829 41.365 40.800 -0.439 0.000 1.060 201 D HN 0.122 nan 8.370 nan 0.000 0.508 202 V N 1.564 120.949 119.914 -0.882 0.000 2.694 202 V HA -0.055 4.169 4.120 0.174 0.000 0.306 202 V C 0.725 176.580 176.094 -0.398 0.000 1.054 202 V CA 0.979 62.614 62.300 -1.109 0.000 1.161 202 V CB 0.629 32.064 31.823 -0.647 0.000 0.916 202 V HN 0.385 nan 8.190 nan 0.000 0.490 203 D N 3.001 123.181 120.400 -0.366 0.000 2.981 203 D HA -0.217 4.527 4.640 0.174 0.000 0.223 203 D C 0.125 176.344 176.300 -0.135 0.000 1.151 203 D CA 1.294 55.275 54.000 -0.031 0.000 0.827 203 D CB -1.512 39.395 40.800 0.178 0.000 1.101 203 D HN 0.901 nan 8.370 nan 0.000 0.426 204 H N 0.052 118.952 119.070 -0.283 0.000 2.886 204 H HA 0.162 4.828 4.556 0.183 0.000 0.329 204 H C -1.525 173.544 175.328 -0.431 0.000 1.044 204 H CA -0.380 55.588 56.048 -0.133 0.000 1.456 204 H CB 1.321 31.047 29.762 -0.060 0.000 1.464 204 H HN 0.127 nan 8.280 nan 0.000 0.573 205 P HA 0.083 nan 4.420 nan 0.000 0.245 205 P C 0.625 178.013 177.300 0.147 0.000 1.206 205 P CA 1.156 64.261 63.100 0.009 0.000 0.781 205 P CB 0.611 32.325 31.700 0.023 0.000 0.994 206 G N -0.178 108.837 108.800 0.357 0.000 2.141 206 G HA2 -0.168 3.897 3.960 0.174 0.000 0.242 206 G HA3 -0.168 3.897 3.960 0.174 0.000 0.242 206 G C 0.049 175.020 174.900 0.119 0.000 0.982 206 G CA 0.110 45.348 45.100 0.230 0.000 0.662 206 G HN 0.544 nan 8.290 nan 0.000 0.527 207 V N -1.838 118.116 119.914 0.066 0.000 3.040 207 V HA 0.952 5.176 4.120 0.174 0.000 0.312 207 V C 0.588 176.678 176.094 -0.008 0.000 1.115 207 V CA -0.169 62.064 62.300 -0.112 0.000 0.998 207 V CB 1.513 33.068 31.823 -0.447 0.000 1.042 207 V HN 1.397 nan 8.190 nan 0.000 0.433 208 S N 1.550 117.247 115.700 -0.006 0.000 2.624 208 S HA 0.264 4.839 4.470 0.174 0.000 0.263 208 S C 0.788 175.411 174.600 0.038 0.000 1.287 208 S CA -0.091 58.120 58.200 0.019 0.000 0.990 208 S CB 0.515 63.710 63.200 -0.009 0.000 0.950 208 S HN 0.802 nan 8.310 nan 0.000 0.561 209 N N 0.775 119.478 118.700 0.005 0.000 2.104 209 N HA -0.151 4.693 4.740 0.174 0.000 0.190 209 N C 1.732 177.261 175.510 0.032 0.000 1.024 209 N CA 1.554 54.603 53.050 -0.002 0.000 0.853 209 N CB -0.760 37.721 38.487 -0.011 0.000 1.008 209 N HN 0.755 nan 8.380 nan 0.000 0.424 210 Q N 0.171 119.994 119.800 0.038 0.000 2.124 210 Q HA -0.045 4.399 4.340 0.174 0.000 0.202 210 Q C 1.805 177.840 176.000 0.059 0.000 0.977 210 Q CA 1.098 56.921 55.803 0.033 0.000 0.850 210 Q CB -0.533 28.218 28.738 0.021 0.000 0.901 210 Q HN 0.401 nan 8.270 nan 0.000 0.429 211 F N -0.352 119.571 119.950 -0.043 0.000 2.146 211 F HA -0.112 4.510 4.527 0.159 0.000 0.298 211 F C 1.497 177.278 175.800 -0.032 0.000 1.096 211 F CA 1.186 59.166 58.000 -0.034 0.000 1.275 211 F CB -0.058 38.924 39.000 -0.030 0.000 1.008 211 F HN 0.081 nan 8.300 nan 0.000 0.480 212 L N -0.192 121.140 121.223 0.182 0.000 2.083 212 L HA -0.221 4.223 4.340 0.174 0.000 0.209 212 L C 2.427 179.276 176.870 -0.035 0.000 1.083 212 L CA 1.292 56.174 54.840 0.071 0.000 0.752 212 L CB -0.693 41.395 42.059 0.049 0.000 0.899 212 L HN 0.192 nan 8.230 nan 0.000 0.433 213 I N -0.068 120.485 120.570 -0.029 0.000 2.163 213 I HA -0.273 4.002 4.170 0.174 0.000 0.240 213 I C 2.221 178.288 176.117 -0.084 0.000 1.081 213 I CA 1.115 62.389 61.300 -0.043 0.000 1.353 213 I CB -0.426 37.560 38.000 -0.022 0.000 1.054 213 I HN 0.317 nan 8.210 nan 0.000 0.407 214 N N 0.545 119.172 118.700 -0.122 0.000 2.205 214 N HA -0.154 4.691 4.740 0.174 0.000 0.186 214 N C 1.774 177.163 175.510 -0.202 0.000 1.015 214 N CA 2.039 54.995 53.050 -0.157 0.000 0.862 214 N CB -0.640 37.735 38.487 -0.187 0.000 0.986 214 N HN 0.474 nan 8.380 nan 0.000 0.429 215 T N -2.088 112.299 114.554 -0.278 0.000 3.148 215 T HA 0.071 4.525 4.350 0.174 0.000 0.253 215 T C 0.231 174.850 174.700 -0.135 0.000 1.134 215 T CA -0.196 61.755 62.100 -0.250 0.000 1.051 215 T CB -0.100 68.561 68.868 -0.345 0.000 0.959 215 T HN 0.019 nan 8.240 nan 0.000 0.525 216 N N 1.747 120.384 118.700 -0.104 0.000 2.758 216 N HA -0.150 4.694 4.740 0.174 0.000 0.248 216 N C 0.011 175.488 175.510 -0.056 0.000 1.076 216 N CA 0.918 53.928 53.050 -0.067 0.000 0.696 216 N CB -2.101 36.351 38.487 -0.058 0.000 0.979 216 N HN 0.912 nan 8.380 nan 0.000 0.550 217 S N -1.319 114.348 115.700 -0.054 0.000 2.579 217 S HA 0.110 4.685 4.470 0.174 0.000 0.275 217 S C 1.386 175.964 174.600 -0.037 0.000 1.345 217 S CA -0.019 58.159 58.200 -0.036 0.000 1.031 217 S CB 1.889 65.078 63.200 -0.019 0.000 0.892 217 S HN 0.386 nan 8.310 nan 0.000 0.529 218 E N 1.313 121.491 120.200 -0.037 0.000 2.118 218 E HA -0.166 4.288 4.350 0.174 0.000 0.195 218 E C 1.666 178.228 176.600 -0.062 0.000 0.992 218 E CA 1.183 57.555 56.400 -0.047 0.000 0.804 218 E CB -0.245 29.431 29.700 -0.039 0.000 0.741 218 E HN 0.794 nan 8.360 nan 0.000 0.458 219 L N 0.183 121.369 121.223 -0.061 0.000 2.046 219 L HA -0.169 4.275 4.340 0.174 0.000 0.208 219 L C 2.640 179.526 176.870 0.027 0.000 1.077 219 L CA 1.145 55.958 54.840 -0.046 0.000 0.747 219 L CB -0.434 41.555 42.059 -0.117 0.000 0.896 219 L HN 0.259 nan 8.230 nan 0.000 0.432 220 A N -0.277 122.546 122.820 0.005 0.000 1.930 220 A HA -0.144 4.281 4.320 0.174 0.000 0.217 220 A C 2.203 179.789 177.584 0.003 0.000 1.175 220 A CA 1.191 53.242 52.037 0.023 0.000 0.627 220 A CB -0.556 18.442 19.000 -0.004 0.000 0.815 220 A HN 0.364 nan 8.150 nan 0.000 0.443 221 L N -1.657 119.546 121.223 -0.034 0.000 2.093 221 L HA -0.171 4.273 4.340 0.174 0.000 0.208 221 L C 2.711 179.526 176.870 -0.091 0.000 1.085 221 L CA 1.564 56.374 54.840 -0.051 0.000 0.755 221 L CB -0.349 41.678 42.059 -0.054 0.000 0.904 221 L HN 0.493 nan 8.230 nan 0.000 0.435 222 M N -0.796 118.709 119.600 -0.160 0.000 2.132 222 M HA -0.197 4.388 4.480 0.174 0.000 0.263 222 M C 1.342 177.376 176.300 -0.443 0.000 1.065 222 M CA 1.929 57.024 55.300 -0.341 0.000 1.122 222 M CB -0.307 31.991 32.600 -0.505 0.000 1.365 222 M HN 0.092 nan 8.290 nan 0.000 0.411 223 Y N 0.825 121.117 120.300 -0.015 0.000 2.493 223 Y HA 0.330 4.969 4.550 0.148 0.000 0.275 223 Y C 0.279 176.174 175.900 -0.008 0.000 1.183 223 Y CA -0.631 57.465 58.100 -0.007 0.000 1.258 223 Y CB -0.678 37.775 38.460 -0.011 0.000 1.108 223 Y HN 0.327 nan 8.280 nan 0.000 0.521 224 N N 1.381 120.123 118.700 0.071 0.000 2.725 224 N HA -0.237 4.607 4.740 0.174 0.000 0.251 224 N C -0.643 174.900 175.510 0.055 0.000 1.031 224 N CA 1.320 54.398 53.050 0.047 0.000 0.720 224 N CB -1.113 37.399 38.487 0.042 0.000 0.930 224 N HN 0.486 nan 8.380 nan 0.000 0.543 225 D N -2.372 118.061 120.400 0.055 0.000 2.997 225 D HA -0.177 4.568 4.640 0.174 0.000 0.226 225 D C -0.634 175.690 176.300 0.039 0.000 1.189 225 D CA 1.510 55.532 54.000 0.038 0.000 0.834 225 D CB -1.402 39.408 40.800 0.017 0.000 1.105 225 D HN 0.490 nan 8.370 nan 0.000 0.415 226 S N -0.404 115.333 115.700 0.061 0.000 2.474 226 S HA 0.402 4.976 4.470 0.174 0.000 0.321 226 S C 0.486 175.095 174.600 0.016 0.000 1.080 226 S CA -0.512 57.714 58.200 0.042 0.000 1.106 226 S CB 1.996 65.228 63.200 0.053 0.000 0.984 226 S HN 0.159 nan 8.310 nan 0.000 0.464 227 S N 1.379 117.075 115.700 -0.008 0.000 3.486 227 S HA -0.151 4.423 4.470 0.174 0.000 0.371 227 S C 1.468 175.993 174.600 -0.125 0.000 1.001 227 S CA 0.451 58.623 58.200 -0.046 0.000 1.164 227 S CB -1.729 61.448 63.200 -0.039 0.000 0.911 227 S HN 0.633 nan 8.310 nan 0.000 0.472 228 V N 0.676 120.538 119.914 -0.086 0.000 2.222 228 V HA -0.310 3.915 4.120 0.174 0.000 0.252 228 V C 2.281 178.215 176.094 -0.267 0.000 1.060 228 V CA 2.664 64.899 62.300 -0.109 0.000 1.027 228 V CB -0.562 31.247 31.823 -0.022 0.000 0.644 228 V HN 0.680 nan 8.190 nan 0.000 0.448 229 L N -0.718 120.343 121.223 -0.270 0.000 2.046 229 L HA -0.199 4.245 4.340 0.174 0.000 0.208 229 L C 2.667 179.129 176.870 -0.679 0.000 1.077 229 L CA 1.592 56.138 54.840 -0.490 0.000 0.747 229 L CB -0.590 41.191 42.059 -0.464 0.000 0.896 229 L HN 0.352 nan 8.230 nan 0.000 0.432 230 E N 0.041 120.063 120.200 -0.297 0.000 2.058 230 E HA -0.205 4.249 4.350 0.174 0.000 0.194 230 E C 1.987 178.479 176.600 -0.180 0.000 0.997 230 E CA 1.090 57.438 56.400 -0.087 0.000 0.801 230 E CB -0.278 29.431 29.700 0.015 0.000 0.746 230 E HN 0.344 nan 8.360 nan 0.000 0.450 231 N N -0.189 118.308 118.700 -0.339 0.000 2.120 231 N HA -0.183 4.661 4.740 0.174 0.000 0.188 231 N C 1.816 177.065 175.510 -0.435 0.000 1.024 231 N CA 1.275 54.043 53.050 -0.471 0.000 0.852 231 N CB -0.287 37.592 38.487 -1.013 0.000 1.003 231 N HN 0.270 nan 8.380 nan 0.000 0.424 232 H N 0.827 119.533 119.070 -0.606 0.000 2.321 232 H HA -0.054 4.578 4.556 0.126 0.000 0.300 232 H C 1.821 177.056 175.328 -0.156 0.000 1.087 232 H CA 1.768 57.641 56.048 -0.293 0.000 1.319 232 H CB -0.169 29.429 29.762 -0.275 0.000 1.379 232 H HN 0.297 nan 8.280 nan 0.000 0.501 233 H N -0.014 118.955 119.070 -0.169 0.000 2.352 233 H HA -0.128 4.528 4.556 0.167 0.000 0.299 233 H C 2.654 177.855 175.328 -0.211 0.000 1.097 233 H CA 1.473 57.385 56.048 -0.227 0.000 1.311 233 H CB -0.584 29.093 29.762 -0.142 0.000 1.377 233 H HN 0.354 nan 8.280 nan 0.000 0.504 234 L N 0.088 121.302 121.223 -0.014 0.000 1.994 234 L HA -0.162 4.282 4.340 0.174 0.000 0.208 234 L C 2.890 179.802 176.870 0.070 0.000 1.071 234 L CA 1.090 55.917 54.840 -0.022 0.000 0.745 234 L CB -0.542 41.584 42.059 0.112 0.000 0.892 234 L HN 0.236 nan 8.230 nan 0.000 0.431 235 A N -0.556 122.333 122.820 0.115 0.000 1.908 235 A HA -0.180 4.244 4.320 0.174 0.000 0.218 235 A C 2.294 179.936 177.584 0.096 0.000 1.181 235 A CA 2.025 54.177 52.037 0.191 0.000 0.627 235 A CB -0.890 18.234 19.000 0.206 0.000 0.818 235 A HN 0.229 nan 8.150 nan 0.000 0.445 236 V N -0.195 119.659 119.914 -0.099 0.000 2.358 236 V HA -0.153 4.072 4.120 0.174 0.000 0.246 236 V C 2.835 178.890 176.094 -0.065 0.000 1.047 236 V CA 1.899 64.116 62.300 -0.139 0.000 1.035 236 V CB -1.461 30.178 31.823 -0.308 0.000 0.658 236 V HN 0.619 nan 8.190 nan 0.000 0.452 237 G N -0.624 108.119 108.800 -0.096 0.000 2.440 237 G HA2 -0.250 3.814 3.960 0.174 0.000 0.218 237 G HA3 -0.250 3.814 3.960 0.174 0.000 0.218 237 G C 1.434 176.434 174.900 0.167 0.000 1.154 237 G CA 0.943 46.008 45.100 -0.059 0.000 0.767 237 G HN 0.447 nan 8.290 nan 0.000 0.552 238 F N 0.964 121.060 119.950 0.242 0.000 2.163 238 F HA 0.142 4.772 4.527 0.172 0.000 0.297 238 F C 2.487 178.387 175.800 0.167 0.000 1.094 238 F CA 1.243 59.389 58.000 0.243 0.000 1.290 238 F CB -0.405 38.699 39.000 0.173 0.000 1.017 238 F HN 0.058 nan 8.300 nan 0.000 0.483 239 K N 1.095 121.676 120.400 0.302 0.000 2.103 239 K HA -0.130 4.294 4.320 0.174 0.000 0.207 239 K C 1.787 178.472 176.600 0.143 0.000 1.048 239 K CA 1.415 57.809 56.287 0.177 0.000 0.930 239 K CB -0.728 31.840 32.500 0.113 0.000 0.716 239 K HN 0.288 nan 8.250 nan 0.000 0.444 240 L N 0.499 121.804 121.223 0.137 0.000 2.353 240 L HA -0.105 4.339 4.340 0.174 0.000 0.220 240 L C 1.949 178.990 176.870 0.285 0.000 1.133 240 L CA 0.554 55.464 54.840 0.116 0.000 0.798 240 L CB -0.371 41.671 42.059 -0.029 0.000 0.922 240 L HN 0.184 nan 8.230 nan 0.000 0.445 241 L N -0.750 120.656 121.223 0.306 0.000 2.265 241 L HA -0.202 4.243 4.340 0.174 0.000 0.215 241 L C 2.302 179.236 176.870 0.107 0.000 1.117 241 L CA 1.000 55.930 54.840 0.150 0.000 0.782 241 L CB -0.365 41.739 42.059 0.076 0.000 0.914 241 L HN 0.360 nan 8.230 nan 0.000 0.441 242 Q N -0.353 119.515 119.800 0.114 0.000 2.432 242 Q HA 0.006 4.450 4.340 0.174 0.000 0.205 242 Q C 0.276 176.317 176.000 0.068 0.000 0.945 242 Q CA 0.203 56.053 55.803 0.078 0.000 0.924 242 Q CB 0.203 28.986 28.738 0.075 0.000 1.016 242 Q HN 0.535 nan 8.270 nan 0.000 0.503 243 E N 1.268 121.516 120.200 0.079 0.000 2.392 243 E HA 0.014 4.468 4.350 0.174 0.000 0.256 243 E C -0.298 176.336 176.600 0.057 0.000 1.145 243 E CA -0.405 56.034 56.400 0.064 0.000 0.929 243 E CB 0.488 30.226 29.700 0.063 0.000 0.998 243 E HN -0.036 nan 8.360 nan 0.000 0.442 244 E N 1.868 122.095 120.200 0.045 0.000 2.694 244 E HA -0.208 4.247 4.350 0.174 0.000 0.250 244 E C -0.222 176.399 176.600 0.035 0.000 0.963 244 E CA 0.771 57.192 56.400 0.035 0.000 0.949 244 E CB -0.463 29.254 29.700 0.029 0.000 0.911 244 E HN 0.609 nan 8.360 nan 0.000 0.500 245 N N 3.185 121.902 118.700 0.029 0.000 2.725 245 N HA -0.270 4.574 4.740 0.174 0.000 0.251 245 N C -0.569 174.962 175.510 0.034 0.000 1.031 245 N CA 0.450 53.514 53.050 0.023 0.000 0.720 245 N CB -1.087 37.411 38.487 0.018 0.000 0.930 245 N HN 0.505 nan 8.380 nan 0.000 0.543 246 C N -0.580 118.748 119.300 0.046 0.000 3.559 246 C HA 0.146 4.710 4.460 0.174 0.000 0.314 246 C C 0.576 175.549 174.990 -0.027 0.000 1.419 246 C CA -0.346 58.728 59.018 0.093 0.000 1.775 246 C CB -0.252 27.607 27.740 0.199 0.000 2.430 246 C HN 0.489 nan 8.230 nan 0.000 0.686 247 D N 2.255 122.618 120.400 -0.062 0.000 2.455 247 D HA 0.111 4.855 4.640 0.174 0.000 0.234 247 D C 1.342 177.503 176.300 -0.231 0.000 1.224 247 D CA -0.092 53.822 54.000 -0.142 0.000 0.999 247 D CB -0.097 40.676 40.800 -0.046 0.000 1.072 247 D HN 0.612 nan 8.370 nan 0.000 0.514 248 I N -1.044 119.227 120.570 -0.499 0.000 2.916 248 I HA -0.046 4.228 4.170 0.174 0.000 0.267 248 I C 0.371 176.203 176.117 -0.475 0.000 1.263 248 I CA 0.666 61.644 61.300 -0.535 0.000 1.471 248 I CB -0.292 37.250 38.000 -0.762 0.000 1.089 248 I HN 0.003 nan 8.210 nan 0.000 0.468 249 F N 2.110 121.970 119.950 -0.149 0.000 2.647 249 F HA 0.210 4.839 4.527 0.171 0.000 0.300 249 F C 2.243 178.001 175.800 -0.069 0.000 1.106 249 F CA -0.666 57.254 58.000 -0.135 0.000 1.313 249 F CB -0.667 38.205 39.000 -0.213 0.000 1.007 249 F HN 0.208 nan 8.300 nan 0.000 0.536 250 Q N -0.214 119.625 119.800 0.064 0.000 2.234 250 Q HA -0.172 4.273 4.340 0.174 0.000 0.206 250 Q C 0.678 176.719 176.000 0.067 0.000 0.980 250 Q CA 1.635 57.469 55.803 0.051 0.000 0.869 250 Q CB -0.335 28.415 28.738 0.020 0.000 0.912 250 Q HN 0.224 nan 8.270 nan 0.000 0.436 251 N N -0.010 118.746 118.700 0.093 0.000 2.230 251 N HA 0.179 5.023 4.740 0.174 0.000 0.202 251 N C -0.652 174.933 175.510 0.125 0.000 1.119 251 N CA -0.010 53.100 53.050 0.099 0.000 0.851 251 N CB 0.414 38.963 38.487 0.103 0.000 0.990 251 N HN 0.132 nan 8.380 nan 0.000 0.497 252 L N 0.827 122.128 121.223 0.130 0.000 2.439 252 L HA 0.193 4.637 4.340 0.174 0.000 0.261 252 L C 1.371 178.280 176.870 0.065 0.000 1.153 252 L CA -0.114 54.797 54.840 0.118 0.000 0.808 252 L CB 0.648 42.736 42.059 0.049 0.000 1.126 252 L HN 0.073 nan 8.230 nan 0.000 0.460 253 T N -1.751 112.837 114.554 0.057 0.000 2.788 253 T HA 0.161 4.616 4.350 0.174 0.000 0.287 253 T C 1.071 175.772 174.700 0.002 0.000 1.007 253 T CA -0.482 61.636 62.100 0.030 0.000 1.005 253 T CB 0.576 69.462 68.868 0.031 0.000 1.012 253 T HN 0.621 nan 8.240 nan 0.000 0.530 254 K N 0.279 120.675 120.400 -0.006 0.000 2.063 254 K HA -0.180 4.244 4.320 0.174 0.000 0.208 254 K C 2.168 178.746 176.600 -0.037 0.000 1.048 254 K CA 1.492 57.764 56.287 -0.024 0.000 0.928 254 K CB -0.198 32.290 32.500 -0.020 0.000 0.713 254 K HN 0.552 nan 8.250 nan 0.000 0.442 255 K N 1.094 121.479 120.400 -0.025 0.000 2.097 255 K HA -0.122 4.302 4.320 0.174 0.000 0.205 255 K C 1.992 178.569 176.600 -0.039 0.000 1.050 255 K CA 1.599 57.868 56.287 -0.030 0.000 0.938 255 K CB -0.024 32.468 32.500 -0.013 0.000 0.718 255 K HN 0.273 nan 8.250 nan 0.000 0.442 256 Q N -0.220 119.564 119.800 -0.027 0.000 2.046 256 Q HA -0.091 4.353 4.340 0.174 0.000 0.200 256 Q C 2.248 178.171 176.000 -0.128 0.000 0.975 256 Q CA 1.505 57.282 55.803 -0.044 0.000 0.836 256 Q CB -0.118 28.624 28.738 0.006 0.000 0.896 256 Q HN 0.255 nan 8.270 nan 0.000 0.428 257 R N 0.600 121.021 120.500 -0.132 0.000 2.083 257 R HA -0.179 4.265 4.340 0.174 0.000 0.237 257 R C 2.327 178.517 176.300 -0.182 0.000 1.137 257 R CA 1.576 57.560 56.100 -0.195 0.000 0.951 257 R CB -0.217 30.004 30.300 -0.131 0.000 0.851 257 R HN 0.376 nan 8.270 nan 0.000 0.434 258 Q N -0.259 119.465 119.800 -0.128 0.000 2.061 258 Q HA -0.169 4.275 4.340 0.174 0.000 0.204 258 Q C 2.270 178.202 176.000 -0.114 0.000 0.984 258 Q CA 1.855 57.587 55.803 -0.118 0.000 0.846 258 Q CB -0.168 28.515 28.738 -0.091 0.000 0.902 258 Q HN 0.199 nan 8.270 nan 0.000 0.421 259 S N 0.348 115.988 115.700 -0.100 0.000 2.368 259 S HA -0.117 4.457 4.470 0.174 0.000 0.224 259 S C 1.843 176.405 174.600 -0.064 0.000 1.029 259 S CA 0.705 58.861 58.200 -0.073 0.000 0.988 259 S CB -0.165 63.012 63.200 -0.039 0.000 0.838 259 S HN 0.307 nan 8.310 nan 0.000 0.462 260 L N 2.359 123.498 121.223 -0.140 0.000 2.017 260 L HA 0.009 4.454 4.340 0.174 0.000 0.208 260 L C 2.456 179.264 176.870 -0.102 0.000 1.073 260 L CA 2.148 56.871 54.840 -0.196 0.000 0.745 260 L CB -0.817 40.965 42.059 -0.462 0.000 0.894 260 L HN 0.311 nan 8.230 nan 0.000 0.432 261 R N -0.300 120.122 120.500 -0.131 0.000 2.083 261 R HA -0.246 4.198 4.340 0.174 0.000 0.237 261 R C 2.485 178.813 176.300 0.046 0.000 1.137 261 R CA 2.082 58.141 56.100 -0.068 0.000 0.951 261 R CB -0.319 29.821 30.300 -0.266 0.000 0.851 261 R HN 0.429 nan 8.270 nan 0.000 0.434 262 K N 0.116 120.517 120.400 0.001 0.000 2.026 262 K HA -0.143 4.281 4.320 0.174 0.000 0.208 262 K C 2.178 178.866 176.600 0.147 0.000 1.048 262 K CA 1.844 58.160 56.287 0.048 0.000 0.929 262 K CB -0.052 32.432 32.500 -0.026 0.000 0.713 262 K HN 0.213 nan 8.250 nan 0.000 0.439 263 M N 0.295 119.991 119.600 0.160 0.000 2.086 263 M HA -0.175 4.409 4.480 0.174 0.000 0.261 263 M C 2.184 178.574 176.300 0.151 0.000 1.067 263 M CA 1.368 56.779 55.300 0.185 0.000 1.116 263 M CB -0.210 32.473 32.600 0.139 0.000 1.348 263 M HN 0.002 nan 8.290 nan 0.000 0.407 264 V N 0.939 120.965 119.914 0.186 0.000 2.255 264 V HA -0.295 3.929 4.120 0.174 0.000 0.247 264 V C 2.249 178.475 176.094 0.221 0.000 1.051 264 V CA 1.953 64.394 62.300 0.235 0.000 1.018 264 V CB -0.616 31.448 31.823 0.403 0.000 0.641 264 V HN 0.426 nan 8.190 nan 0.000 0.445 265 I N 0.091 120.835 120.570 0.291 0.000 2.118 265 I HA -0.292 3.982 4.170 0.174 0.000 0.241 265 I C 2.361 178.566 176.117 0.148 0.000 1.070 265 I CA 1.898 63.342 61.300 0.240 0.000 1.327 265 I CB -0.563 37.566 38.000 0.216 0.000 1.034 265 I HN 0.338 nan 8.210 nan 0.000 0.405 266 D N 0.837 121.320 120.400 0.138 0.000 2.123 266 D HA -0.159 4.585 4.640 0.174 0.000 0.196 266 D C 2.215 178.552 176.300 0.062 0.000 0.992 266 D CA 1.404 55.466 54.000 0.103 0.000 0.833 266 D CB -0.203 40.677 40.800 0.133 0.000 0.954 266 D HN 0.350 nan 8.370 nan 0.000 0.455 267 I N 0.182 120.787 120.570 0.059 0.000 2.163 267 I HA -0.217 4.057 4.170 0.174 0.000 0.240 267 I C 2.426 178.563 176.117 0.033 0.000 1.081 267 I CA 0.607 61.921 61.300 0.022 0.000 1.353 267 I CB -0.235 37.771 38.000 0.010 0.000 1.054 267 I HN -0.107 nan 8.210 nan 0.000 0.407 268 V N 1.215 121.166 119.914 0.062 0.000 2.343 268 V HA -0.264 3.960 4.120 0.174 0.000 0.247 268 V C 2.378 178.525 176.094 0.088 0.000 1.051 268 V CA 1.627 63.977 62.300 0.084 0.000 1.036 268 V CB -0.556 31.318 31.823 0.085 0.000 0.654 268 V HN 0.383 nan 8.190 nan 0.000 0.451 269 L N 0.217 121.482 121.223 0.070 0.000 2.265 269 L HA -0.123 4.321 4.340 0.174 0.000 0.215 269 L C 2.466 179.355 176.870 0.032 0.000 1.117 269 L CA 1.231 56.102 54.840 0.052 0.000 0.782 269 L CB -0.658 41.429 42.059 0.047 0.000 0.914 269 L HN 0.383 nan 8.230 nan 0.000 0.441 270 A N -0.320 122.508 122.820 0.015 0.000 2.206 270 A HA -0.083 4.341 4.320 0.174 0.000 0.211 270 A C 2.195 179.740 177.584 -0.064 0.000 1.158 270 A CA 1.299 53.310 52.037 -0.043 0.000 0.761 270 A CB -0.612 18.350 19.000 -0.063 0.000 0.801 270 A HN 0.486 nan 8.150 nan 0.000 0.473 271 T N -2.605 111.976 114.554 0.045 0.000 3.113 271 T HA 0.006 4.461 4.350 0.174 0.000 0.256 271 T C 0.488 175.289 174.700 0.169 0.000 1.131 271 T CA 0.318 62.505 62.100 0.146 0.000 1.074 271 T CB -0.318 68.690 68.868 0.233 0.000 0.944 271 T HN 0.309 nan 8.240 nan 0.000 0.516 272 D N 1.461 121.922 120.400 0.102 0.000 2.358 272 D HA 0.055 4.799 4.640 0.174 0.000 0.258 272 D C 1.192 177.555 176.300 0.104 0.000 1.223 272 D CA -0.311 53.751 54.000 0.103 0.000 0.886 272 D CB 0.869 41.705 40.800 0.060 0.000 1.120 272 D HN -0.030 nan 8.370 nan 0.000 0.482 273 M N 2.613 122.304 119.600 0.151 0.000 2.426 273 M HA -0.173 4.411 4.480 0.174 0.000 0.261 273 M C 1.972 178.364 176.300 0.153 0.000 1.068 273 M CA 0.845 56.252 55.300 0.179 0.000 1.066 273 M CB -1.242 31.455 32.600 0.162 0.000 1.399 273 M HN 0.472 nan 8.290 nan 0.000 0.449 274 S N -0.841 114.920 115.700 0.102 0.000 2.555 274 S HA -0.033 4.541 4.470 0.174 0.000 0.230 274 S C 1.492 176.133 174.600 0.068 0.000 0.978 274 S CA 0.534 58.783 58.200 0.081 0.000 0.934 274 S CB -0.019 63.214 63.200 0.055 0.000 0.766 274 S HN 0.330 nan 8.310 nan 0.000 0.533 275 K N 0.196 120.629 120.400 0.055 0.000 2.355 275 K HA 0.189 4.613 4.320 0.174 0.000 0.198 275 K C 1.345 177.934 176.600 -0.019 0.000 1.039 275 K CA 0.408 56.698 56.287 0.005 0.000 1.075 275 K CB -0.477 32.003 32.500 -0.033 0.000 0.870 275 K HN 0.590 nan 8.250 nan 0.000 0.540 276 H N 2.229 121.270 119.070 -0.049 0.000 2.265 276 H HA -0.120 4.540 4.556 0.174 0.000 0.293 276 H C 1.911 177.260 175.328 0.035 0.000 1.089 276 H CA 2.344 58.386 56.048 -0.010 0.000 1.244 276 H CB 0.126 29.981 29.762 0.156 0.000 1.355 276 H HN -0.106 nan 8.280 nan 0.000 0.485 277 M N 0.465 120.005 119.600 -0.099 0.000 2.082 277 M HA -0.210 4.375 4.480 0.174 0.000 0.258 277 M C 1.992 178.216 176.300 -0.127 0.000 1.071 277 M CA 1.605 56.826 55.300 -0.131 0.000 1.103 277 M CB -1.105 31.515 32.600 0.034 0.000 1.307 277 M HN 0.457 nan 8.290 nan 0.000 0.409 278 N N 0.501 119.162 118.700 -0.066 0.000 2.289 278 N HA -0.119 4.725 4.740 0.174 0.000 0.184 278 N C 1.758 177.223 175.510 -0.075 0.000 1.016 278 N CA 0.863 53.882 53.050 -0.052 0.000 0.872 278 N CB -0.374 38.098 38.487 -0.025 0.000 0.973 278 N HN 0.213 nan 8.380 nan 0.000 0.433 279 L N 0.816 121.970 121.223 -0.115 0.000 2.072 279 L HA -0.009 4.436 4.340 0.174 0.000 0.205 279 L C 2.042 178.849 176.870 -0.106 0.000 1.079 279 L CA 0.989 55.759 54.840 -0.117 0.000 0.752 279 L CB -0.663 41.286 42.059 -0.183 0.000 0.906 279 L HN 0.055 nan 8.230 nan 0.000 0.436 280 L N -0.491 120.627 121.223 -0.175 0.000 2.093 280 L HA -0.021 4.423 4.340 0.174 0.000 0.208 280 L C 2.454 179.280 176.870 -0.073 0.000 1.085 280 L CA 1.912 56.670 54.840 -0.137 0.000 0.755 280 L CB -1.037 40.872 42.059 -0.249 0.000 0.904 280 L HN 0.235 nan 8.230 nan 0.000 0.435 281 A N -0.529 122.249 122.820 -0.071 0.000 1.865 281 A HA -0.231 4.193 4.320 0.174 0.000 0.217 281 A C 1.987 179.555 177.584 -0.027 0.000 1.191 281 A CA 1.998 54.012 52.037 -0.038 0.000 0.623 281 A CB -0.896 18.085 19.000 -0.030 0.000 0.826 281 A HN 0.545 nan 8.150 nan 0.000 0.444 282 D N -0.602 119.781 120.400 -0.028 0.000 2.219 282 D HA -0.094 4.650 4.640 0.174 0.000 0.205 282 D C 1.751 178.042 176.300 -0.014 0.000 0.970 282 D CA 1.001 54.989 54.000 -0.019 0.000 0.851 282 D CB -0.229 40.561 40.800 -0.018 0.000 0.943 282 D HN 0.375 nan 8.370 nan 0.000 0.488 283 L N 1.100 122.317 121.223 -0.011 0.000 2.109 283 L HA -0.082 4.362 4.340 0.174 0.000 0.207 283 L C 1.893 178.756 176.870 -0.011 0.000 1.086 283 L CA 1.615 56.458 54.840 0.005 0.000 0.760 283 L CB -0.161 41.917 42.059 0.032 0.000 0.910 283 L HN -0.198 nan 8.230 nan 0.000 0.437 284 K N -1.177 119.214 120.400 -0.015 0.000 1.984 284 K HA -0.092 4.332 4.320 0.174 0.000 0.209 284 K C 1.887 178.473 176.600 -0.024 0.000 1.046 284 K CA 1.847 58.123 56.287 -0.019 0.000 0.934 284 K CB -0.616 31.876 32.500 -0.014 0.000 0.717 284 K HN 0.277 nan 8.250 nan 0.000 0.438 285 T N 1.776 116.318 114.554 -0.020 0.000 2.721 285 T HA -0.212 4.242 4.350 0.174 0.000 0.268 285 T C 1.737 176.421 174.700 -0.026 0.000 1.038 285 T CA 1.469 63.556 62.100 -0.020 0.000 1.145 285 T CB -0.111 68.748 68.868 -0.016 0.000 0.858 285 T HN 0.225 nan 8.240 nan 0.000 0.459 286 M N 0.398 119.981 119.600 -0.028 0.000 2.254 286 M HA -0.033 4.551 4.480 0.174 0.000 0.265 286 M C 2.078 178.347 176.300 -0.051 0.000 1.066 286 M CA 1.061 56.340 55.300 -0.035 0.000 1.123 286 M CB -0.045 32.537 32.600 -0.031 0.000 1.388 286 M HN 0.094 nan 8.290 nan 0.000 0.425 287 V N 0.600 120.481 119.914 -0.055 0.000 2.626 287 V HA -0.225 3.999 4.120 0.174 0.000 0.252 287 V C 1.840 177.898 176.094 -0.061 0.000 1.067 287 V CA 1.669 63.927 62.300 -0.070 0.000 1.081 287 V CB -0.724 31.057 31.823 -0.070 0.000 0.686 287 V HN 0.513 nan 8.190 nan 0.000 0.468 288 E N 0.637 120.809 120.200 -0.047 0.000 2.047 288 E HA -0.167 4.287 4.350 0.174 0.000 0.191 288 E C 1.984 178.559 176.600 -0.041 0.000 0.987 288 E CA 1.807 58.182 56.400 -0.041 0.000 0.799 288 E CB -0.272 29.409 29.700 -0.031 0.000 0.752 288 E HN 0.723 nan 8.360 nan 0.000 0.449 289 T N -0.604 113.927 114.554 -0.039 0.000 3.244 289 T HA 0.126 4.580 4.350 0.174 0.000 0.254 289 T C 0.403 175.077 174.700 -0.044 0.000 1.024 289 T CA -0.430 61.648 62.100 -0.036 0.000 0.920 289 T CB -0.071 68.779 68.868 -0.029 0.000 1.042 289 T HN -0.087 nan 8.240 nan 0.000 0.572 290 K N 1.879 122.247 120.400 -0.054 0.000 2.550 290 K HA 0.030 4.454 4.320 0.174 0.000 0.280 290 K C -0.404 176.160 176.600 -0.060 0.000 0.987 290 K CA 0.529 56.777 56.287 -0.065 0.000 1.048 290 K CB 0.336 32.788 32.500 -0.079 0.000 0.879 290 K HN 0.354 nan 8.250 nan 0.000 0.491 291 K N 2.352 122.715 120.400 -0.063 0.000 2.385 291 K HA 0.472 4.896 4.320 0.174 0.000 0.248 291 K C -1.373 175.187 176.600 -0.066 0.000 0.955 291 K CA -1.081 55.172 56.287 -0.057 0.000 0.816 291 K CB 2.385 34.856 32.500 -0.049 0.000 1.250 291 K HN 0.254 nan 8.250 nan 0.000 0.434 292 V N 1.297 121.176 119.914 -0.059 0.000 2.735 292 V HA 0.286 4.510 4.120 0.174 0.000 0.310 292 V C 0.326 176.387 176.094 -0.056 0.000 1.061 292 V CA -0.885 61.377 62.300 -0.063 0.000 0.913 292 V CB 1.926 33.715 31.823 -0.057 0.000 1.005 292 V HN 1.042 nan 8.190 nan 0.000 0.428 293 T N 0.359 114.876 114.554 -0.062 0.000 2.698 293 T HA 0.090 4.544 4.350 0.174 0.000 0.295 293 T C 1.244 175.917 174.700 -0.044 0.000 1.007 293 T CA 0.250 62.318 62.100 -0.054 0.000 0.980 293 T CB 0.611 69.442 68.868 -0.061 0.000 1.036 293 T HN 0.909 nan 8.240 nan 0.000 0.526 294 S N -0.822 114.855 115.700 -0.038 0.000 2.660 294 S HA 0.040 4.614 4.470 0.174 0.000 0.228 294 S C 1.387 175.968 174.600 -0.032 0.000 0.966 294 S CA 0.062 58.243 58.200 -0.032 0.000 0.940 294 S CB -0.539 62.645 63.200 -0.027 0.000 0.773 294 S HN 0.610 nan 8.310 nan 0.000 0.535 295 S N 0.097 115.774 115.700 -0.038 0.000 2.539 295 S HA 0.511 5.085 4.470 0.174 0.000 0.221 295 S C 1.457 176.033 174.600 -0.040 0.000 0.987 295 S CA 0.125 58.302 58.200 -0.037 0.000 0.929 295 S CB 0.509 63.685 63.200 -0.041 0.000 0.832 295 S HN 0.914 nan 8.310 nan 0.000 0.492 296 G N 1.236 110.010 108.800 -0.043 0.000 2.176 296 G HA2 -0.240 3.825 3.960 0.174 0.000 0.253 296 G HA3 -0.240 3.825 3.960 0.174 0.000 0.253 296 G C 0.160 175.026 174.900 -0.057 0.000 0.979 296 G CA 0.145 45.218 45.100 -0.045 0.000 0.641 296 G HN 0.411 nan 8.290 nan 0.000 0.530 297 V N 1.593 121.468 119.914 -0.066 0.000 2.644 297 V HA 0.624 4.848 4.120 0.174 0.000 0.295 297 V C 1.022 177.054 176.094 -0.103 0.000 1.053 297 V CA -0.609 61.639 62.300 -0.086 0.000 0.987 297 V CB 1.613 33.382 31.823 -0.090 0.000 1.006 297 V HN 0.513 nan 8.190 nan 0.000 0.472 298 L N 4.692 125.838 121.223 -0.128 0.000 2.540 298 L HA 0.143 4.587 4.340 0.174 0.000 0.276 298 L C -0.293 176.490 176.870 -0.145 0.000 1.212 298 L CA 0.370 55.126 54.840 -0.139 0.000 0.893 298 L CB 0.309 42.267 42.059 -0.168 0.000 1.138 298 L HN 0.593 nan 8.230 nan 0.000 0.491 299 L N 6.953 128.107 121.223 -0.114 0.000 2.261 299 L HA 0.448 4.893 4.340 0.174 0.000 0.289 299 L C -1.082 175.728 176.870 -0.100 0.000 1.059 299 L CA 0.226 55.005 54.840 -0.102 0.000 0.816 299 L CB 0.228 42.243 42.059 -0.073 0.000 1.191 299 L HN 0.548 nan 8.230 nan 0.000 0.431 300 L N 5.742 126.896 121.223 -0.116 0.000 2.342 300 L HA 0.420 4.864 4.340 0.174 0.000 0.276 300 L C 0.033 176.871 176.870 -0.054 0.000 0.997 300 L CA -0.573 54.213 54.840 -0.090 0.000 0.838 300 L CB 1.378 43.358 42.059 -0.132 0.000 1.224 300 L HN 0.552 nan 8.230 nan 0.000 0.416 301 D N 1.521 121.906 120.400 -0.026 0.000 2.162 301 D HA -0.023 4.721 4.640 0.174 0.000 0.252 301 D C 0.552 176.867 176.300 0.026 0.000 1.095 301 D CA 0.710 54.708 54.000 -0.004 0.000 0.928 301 D CB -0.036 40.762 40.800 -0.002 0.000 0.989 301 D HN 0.643 nan 8.370 nan 0.000 0.401 302 N N -0.341 118.381 118.700 0.036 0.000 2.307 302 N HA -0.147 4.697 4.740 0.174 0.000 0.230 302 N C 0.726 176.298 175.510 0.103 0.000 1.297 302 N CA -0.164 52.931 53.050 0.075 0.000 0.884 302 N CB 0.321 38.847 38.487 0.065 0.000 1.115 302 N HN 0.161 nan 8.380 nan 0.000 0.436 303 Y N 0.776 121.096 120.300 0.034 0.000 2.145 303 Y HA -0.245 4.409 4.550 0.172 0.000 0.286 303 Y C 2.658 178.587 175.900 0.049 0.000 1.145 303 Y CA 2.093 60.220 58.100 0.046 0.000 1.148 303 Y CB -0.807 37.673 38.460 0.034 0.000 0.981 303 Y HN 0.743 nan 8.280 nan 0.000 0.507 304 S N -0.091 115.651 115.700 0.070 0.000 2.372 304 S HA -0.260 4.314 4.470 0.174 0.000 0.227 304 S C 1.785 176.341 174.600 -0.075 0.000 1.044 304 S CA 2.137 60.334 58.200 -0.004 0.000 1.050 304 S CB -0.576 62.659 63.200 0.059 0.000 0.901 304 S HN 0.658 nan 8.310 nan 0.000 0.447 305 D N 0.341 120.718 120.400 -0.038 0.000 2.137 305 D HA 0.001 4.745 4.640 0.174 0.000 0.202 305 D C 2.332 178.624 176.300 -0.013 0.000 0.970 305 D CA 0.819 54.805 54.000 -0.023 0.000 0.837 305 D CB -0.292 40.502 40.800 -0.010 0.000 0.981 305 D HN 0.465 nan 8.370 nan 0.000 0.475 306 R N 0.228 120.717 120.500 -0.018 0.000 2.081 306 R HA -0.082 4.363 4.340 0.174 0.000 0.235 306 R C 2.261 178.567 176.300 0.009 0.000 1.131 306 R CA 0.608 56.769 56.100 0.102 0.000 0.960 306 R CB -0.235 30.142 30.300 0.129 0.000 0.856 306 R HN 0.122 nan 8.270 nan 0.000 0.436 307 I N 1.167 121.570 120.570 -0.277 0.000 2.439 307 I HA -0.214 4.060 4.170 0.174 0.000 0.251 307 I C 2.440 178.469 176.117 -0.148 0.000 1.139 307 I CA 1.373 62.472 61.300 -0.334 0.000 1.438 307 I CB -0.274 37.314 38.000 -0.686 0.000 1.085 307 I HN 0.136 nan 8.210 nan 0.000 0.427 308 Q N 0.305 120.047 119.800 -0.097 0.000 2.124 308 Q HA -0.132 4.312 4.340 0.174 0.000 0.202 308 Q C 2.114 178.135 176.000 0.035 0.000 0.977 308 Q CA 2.006 57.791 55.803 -0.030 0.000 0.850 308 Q CB -0.181 28.546 28.738 -0.019 0.000 0.901 308 Q HN 0.422 nan 8.270 nan 0.000 0.429 309 V N 1.158 121.126 119.914 0.090 0.000 2.379 309 V HA -0.236 3.989 4.120 0.174 0.000 0.245 309 V C 2.554 178.761 176.094 0.188 0.000 1.044 309 V CA 1.261 63.696 62.300 0.225 0.000 1.036 309 V CB -0.502 31.515 31.823 0.324 0.000 0.664 309 V HN 0.282 nan 8.190 nan 0.000 0.453 310 L N -0.652 120.577 121.223 0.011 0.000 2.093 310 L HA -0.207 4.238 4.340 0.174 0.000 0.208 310 L C 2.670 179.479 176.870 -0.101 0.000 1.085 310 L CA 1.503 56.255 54.840 -0.147 0.000 0.755 310 L CB -0.589 41.299 42.059 -0.285 0.000 0.904 310 L HN 0.361 nan 8.230 nan 0.000 0.435 311 Q N -0.151 119.610 119.800 -0.066 0.000 2.030 311 Q HA -0.198 4.246 4.340 0.174 0.000 0.204 311 Q C 2.036 178.006 176.000 -0.050 0.000 0.986 311 Q CA 1.521 57.290 55.803 -0.057 0.000 0.843 311 Q CB -0.140 28.568 28.738 -0.050 0.000 0.904 311 Q HN 0.488 nan 8.270 nan 0.000 0.420 312 N N 0.227 118.914 118.700 -0.022 0.000 2.309 312 N HA -0.115 4.729 4.740 0.174 0.000 0.182 312 N C 1.678 177.008 175.510 -0.300 0.000 1.018 312 N CA 0.802 53.834 53.050 -0.031 0.000 0.876 312 N CB -0.085 38.455 38.487 0.089 0.000 0.972 312 N HN 0.292 nan 8.380 nan 0.000 0.434 313 M N 0.652 120.029 119.600 -0.371 0.000 2.067 313 M HA -0.130 4.454 4.480 0.174 0.000 0.260 313 M C 1.778 177.798 176.300 -0.467 0.000 1.069 313 M CA 1.391 56.252 55.300 -0.733 0.000 1.117 313 M CB 0.037 32.428 32.600 -0.348 0.000 1.334 313 M HN -0.144 nan 8.290 nan 0.000 0.407 314 V N -0.208 119.554 119.914 -0.254 0.000 2.427 314 V HA -0.272 3.952 4.120 0.174 0.000 0.248 314 V C 2.347 178.343 176.094 -0.163 0.000 1.051 314 V CA 2.221 64.402 62.300 -0.198 0.000 1.048 314 V CB -1.264 30.468 31.823 -0.153 0.000 0.666 314 V HN 0.601 nan 8.190 nan 0.000 0.456 315 H N -0.306 118.630 119.070 -0.225 0.000 2.353 315 H HA -0.184 4.475 4.556 0.172 0.000 0.300 315 H C 2.235 177.452 175.328 -0.184 0.000 1.090 315 H CA 2.211 58.169 56.048 -0.150 0.000 1.327 315 H CB -0.602 29.101 29.762 -0.097 0.000 1.383 315 H HN 0.411 nan 8.280 nan 0.000 0.508 316 C N 0.287 119.325 119.300 -0.438 0.000 2.440 316 C HA 0.044 4.608 4.460 0.174 0.000 0.278 316 C C 3.094 178.018 174.990 -0.110 0.000 1.295 316 C CA 0.931 59.563 59.018 -0.643 0.000 1.738 316 C CB -1.308 25.567 27.740 -1.442 0.000 1.987 316 C HN 0.778 nan 8.230 nan 0.000 0.492 317 A N 0.278 123.022 122.820 -0.126 0.000 1.930 317 A HA -0.212 4.212 4.320 0.174 0.000 0.217 317 A C 1.847 179.388 177.584 -0.071 0.000 1.175 317 A CA 2.205 54.242 52.037 0.001 0.000 0.627 317 A CB -0.622 18.319 19.000 -0.098 0.000 0.815 317 A HN 0.562 nan 8.150 nan 0.000 0.443 318 D N -0.411 119.919 120.400 -0.117 0.000 2.178 318 D HA -0.037 4.707 4.640 0.174 0.000 0.202 318 D C 1.016 177.364 176.300 0.080 0.000 0.974 318 D CA 0.811 54.792 54.000 -0.032 0.000 0.841 318 D CB -0.081 40.716 40.800 -0.006 0.000 0.953 318 D HN 0.383 nan 8.370 nan 0.000 0.478 319 L N 0.499 121.738 121.223 0.026 0.000 3.073 319 L HA 0.253 4.697 4.340 0.174 0.000 0.242 319 L C 1.088 178.092 176.870 0.222 0.000 1.317 319 L CA -0.082 54.816 54.840 0.097 0.000 1.081 319 L CB 0.353 42.384 42.059 -0.047 0.000 1.456 319 L HN 0.007 nan 8.230 nan 0.000 0.525 320 S N -3.342 112.458 115.700 0.167 0.000 2.556 320 S HA 0.016 4.591 4.470 0.174 0.000 0.216 320 S C 1.164 175.682 174.600 -0.136 0.000 0.970 320 S CA -0.250 58.027 58.200 0.128 0.000 0.912 320 S CB -0.201 63.124 63.200 0.209 0.000 0.790 320 S HN 0.499 nan 8.310 nan 0.000 0.504 321 N N 2.982 121.595 118.700 -0.145 0.000 2.037 321 N HA -0.088 4.756 4.740 0.174 0.000 0.196 321 N C -1.331 173.999 175.510 -0.301 0.000 1.034 321 N CA 1.656 54.614 53.050 -0.153 0.000 0.861 321 N CB -0.883 37.615 38.487 0.018 0.000 1.039 321 N HN 0.421 nan 8.380 nan 0.000 0.427 322 P HA -0.049 nan 4.420 nan 0.000 0.234 322 P C 0.952 177.873 177.300 -0.630 0.000 1.167 322 P CA 1.126 63.481 63.100 -1.241 0.000 0.763 322 P CB -0.015 31.236 31.700 -0.749 0.000 0.835 323 T N -5.225 109.085 114.554 -0.407 0.000 3.081 323 T HA 0.138 4.592 4.350 0.174 0.000 0.250 323 T C 0.898 175.599 174.700 0.000 0.000 1.100 323 T CA -0.017 61.916 62.100 -0.279 0.000 1.038 323 T CB -0.218 68.312 68.868 -0.563 0.000 0.962 323 T HN -0.153 nan 8.240 nan 0.000 0.516 324 K N 2.675 123.052 120.400 -0.037 0.000 2.107 324 K HA 0.369 4.793 4.320 0.174 0.000 0.251 324 K C -2.651 174.003 176.600 0.090 0.000 1.012 324 K CA -2.766 53.537 56.287 0.026 0.000 0.920 324 K CB 0.118 32.613 32.500 -0.008 0.000 1.033 324 K HN 0.130 nan 8.250 nan 0.000 0.478 325 P HA -0.082 nan 4.420 nan 0.000 0.261 325 P C 1.068 178.418 177.300 0.084 0.000 1.183 325 P CA -0.111 63.038 63.100 0.081 0.000 0.761 325 P CB 0.487 32.230 31.700 0.072 0.000 0.785 326 L N 3.666 124.917 121.223 0.045 0.000 2.119 326 L HA -0.291 4.154 4.340 0.174 0.000 0.226 326 L C 2.581 179.391 176.870 -0.100 0.000 1.093 326 L CA 2.184 57.005 54.840 -0.032 0.000 0.806 326 L CB -1.147 40.732 42.059 -0.299 0.000 0.902 326 L HN 0.504 nan 8.230 nan 0.000 0.444 327 Q N -0.972 118.756 119.800 -0.121 0.000 2.096 327 Q HA -0.231 4.213 4.340 0.174 0.000 0.204 327 Q C 2.299 178.243 176.000 -0.094 0.000 0.982 327 Q CA 2.328 58.042 55.803 -0.148 0.000 0.850 327 Q CB -0.173 28.483 28.738 -0.137 0.000 0.901 327 Q HN 0.664 nan 8.270 nan 0.000 0.422 328 L N -0.411 120.829 121.223 0.029 0.000 2.072 328 L HA -0.167 4.278 4.340 0.174 0.000 0.205 328 L C 2.544 179.565 176.870 0.251 0.000 1.079 328 L CA 0.982 55.893 54.840 0.120 0.000 0.752 328 L CB -0.700 41.505 42.059 0.243 0.000 0.906 328 L HN 0.292 nan 8.230 nan 0.000 0.436 329 Y N 1.519 121.930 120.300 0.186 0.000 2.128 329 Y HA -0.250 4.403 4.550 0.172 0.000 0.284 329 Y C 2.694 178.733 175.900 0.232 0.000 1.154 329 Y CA 1.438 59.714 58.100 0.293 0.000 1.149 329 Y CB -0.403 38.183 38.460 0.210 0.000 0.976 329 Y HN 0.049 nan 8.280 nan 0.000 0.505 330 R N -0.075 120.411 120.500 -0.024 0.000 2.096 330 R HA -0.179 4.266 4.340 0.174 0.000 0.235 330 R C 2.212 178.453 176.300 -0.099 0.000 1.127 330 R CA 1.655 57.670 56.100 -0.142 0.000 0.968 330 R CB -0.410 29.733 30.300 -0.262 0.000 0.861 330 R HN 0.554 nan 8.270 nan 0.000 0.440 331 Q N -0.696 118.985 119.800 -0.200 0.000 2.124 331 Q HA -0.176 4.268 4.340 0.174 0.000 0.202 331 Q C 1.807 177.657 176.000 -0.250 0.000 0.977 331 Q CA 1.468 57.023 55.803 -0.414 0.000 0.850 331 Q CB -0.102 28.090 28.738 -0.910 0.000 0.901 331 Q HN 0.467 nan 8.270 nan 0.000 0.429 332 W N 0.279 121.658 121.300 0.132 0.000 2.409 332 W HA -0.121 4.641 4.660 0.170 0.000 0.299 332 W C 2.430 179.026 176.519 0.129 0.000 1.203 332 W CA 1.028 58.526 57.345 0.254 0.000 1.298 332 W CB -0.186 29.497 29.460 0.372 0.000 1.127 332 W HN 0.051 nan 8.180 nan 0.000 0.528 333 T N 0.041 114.754 114.554 0.266 0.000 2.746 333 T HA -0.203 4.251 4.350 0.174 0.000 0.267 333 T C 1.083 175.755 174.700 -0.047 0.000 1.039 333 T CA 1.747 63.868 62.100 0.035 0.000 1.142 333 T CB -0.528 68.323 68.868 -0.027 0.000 0.866 333 T HN 0.036 nan 8.240 nan 0.000 0.444 334 D N 0.965 121.353 120.400 -0.021 0.000 2.123 334 D HA -0.065 4.679 4.640 0.174 0.000 0.196 334 D C 2.400 178.666 176.300 -0.056 0.000 0.992 334 D CA 1.063 55.034 54.000 -0.049 0.000 0.833 334 D CB -0.220 40.533 40.800 -0.078 0.000 0.954 334 D HN 0.334 nan 8.370 nan 0.000 0.455 335 R N -0.133 120.367 120.500 0.001 0.000 2.073 335 R HA -0.080 4.365 4.340 0.174 0.000 0.234 335 R C 2.370 178.671 176.300 0.000 0.000 1.134 335 R CA 0.617 56.756 56.100 0.064 0.000 0.952 335 R CB -0.359 30.068 30.300 0.211 0.000 0.850 335 R HN 0.138 nan 8.270 nan 0.000 0.433 336 I N 0.452 120.947 120.570 -0.125 0.000 2.394 336 I HA -0.223 4.051 4.170 0.174 0.000 0.251 336 I C 1.816 177.491 176.117 -0.736 0.000 1.136 336 I CA 1.439 62.385 61.300 -0.590 0.000 1.425 336 I CB 0.032 37.410 38.000 -1.037 0.000 1.079 336 I HN 0.124 nan 8.210 nan 0.000 0.425 337 M N -0.261 118.990 119.600 -0.581 0.000 2.175 337 M HA -0.183 4.401 4.480 0.174 0.000 0.264 337 M C 2.224 178.161 176.300 -0.605 0.000 1.063 337 M CA 1.472 56.332 55.300 -0.735 0.000 1.119 337 M CB -1.420 30.851 32.600 -0.548 0.000 1.377 337 M HN 0.377 nan 8.290 nan 0.000 0.415 338 E N 0.307 120.375 120.200 -0.220 0.000 2.077 338 E HA -0.243 4.211 4.350 0.174 0.000 0.193 338 E C 1.958 178.568 176.600 0.016 0.000 0.989 338 E CA 1.479 57.878 56.400 -0.002 0.000 0.800 338 E CB 0.036 29.753 29.700 0.028 0.000 0.746 338 E HN 0.571 nan 8.360 nan 0.000 0.452 339 E N -0.665 119.520 120.200 -0.025 0.000 2.051 339 E HA -0.191 4.264 4.350 0.174 0.000 0.192 339 E C 1.871 178.563 176.600 0.153 0.000 0.991 339 E CA 1.099 57.540 56.400 0.068 0.000 0.799 339 E CB -0.113 29.639 29.700 0.087 0.000 0.748 339 E HN 0.227 nan 8.360 nan 0.000 0.449 340 F N 0.220 120.054 119.950 -0.192 0.000 2.069 340 F HA -0.185 4.444 4.527 0.169 0.000 0.298 340 F C 2.144 177.902 175.800 -0.069 0.000 1.113 340 F CA 0.959 58.837 58.000 -0.203 0.000 1.214 340 F CB -1.037 37.738 39.000 -0.374 0.000 0.978 340 F HN 0.118 nan 8.300 nan 0.000 0.474 341 F N 0.288 120.327 119.950 0.148 0.000 2.171 341 F HA -0.158 4.473 4.527 0.173 0.000 0.300 341 F C 2.476 178.281 175.800 0.009 0.000 1.090 341 F CA 0.986 59.009 58.000 0.039 0.000 1.293 341 F CB -1.325 37.676 39.000 0.002 0.000 1.013 341 F HN -0.069 nan 8.300 nan 0.000 0.486 342 R N -0.144 120.478 120.500 0.203 0.000 2.096 342 R HA -0.201 4.243 4.340 0.174 0.000 0.235 342 R C 2.220 178.542 176.300 0.037 0.000 1.127 342 R CA 1.470 57.629 56.100 0.099 0.000 0.968 342 R CB -0.529 29.815 30.300 0.074 0.000 0.861 342 R HN 0.379 nan 8.270 nan 0.000 0.440 343 Q N -0.092 119.712 119.800 0.006 0.000 2.050 343 Q HA -0.131 4.314 4.340 0.174 0.000 0.202 343 Q C 2.043 178.030 176.000 -0.022 0.000 0.980 343 Q CA 1.837 57.570 55.803 -0.116 0.000 0.840 343 Q CB -0.249 28.392 28.738 -0.162 0.000 0.898 343 Q HN 0.423 nan 8.270 nan 0.000 0.424 344 G N 0.460 109.289 108.800 0.050 0.000 2.442 344 G HA2 -0.274 3.790 3.960 0.174 0.000 0.219 344 G HA3 -0.274 3.790 3.960 0.174 0.000 0.219 344 G C 0.945 175.891 174.900 0.077 0.000 1.141 344 G CA 1.061 46.208 45.100 0.079 0.000 0.763 344 G HN 0.378 nan 8.290 nan 0.000 0.554 345 D N 0.184 120.625 120.400 0.068 0.000 2.144 345 D HA -0.034 4.710 4.640 0.174 0.000 0.199 345 D C 2.688 179.032 176.300 0.074 0.000 0.984 345 D CA 0.494 54.528 54.000 0.057 0.000 0.834 345 D CB -0.149 40.678 40.800 0.044 0.000 0.955 345 D HN 0.227 nan 8.370 nan 0.000 0.465 346 R N 0.568 121.113 120.500 0.075 0.000 2.075 346 R HA -0.060 4.384 4.340 0.174 0.000 0.232 346 R C 2.165 178.586 176.300 0.201 0.000 1.126 346 R CA 0.845 57.018 56.100 0.122 0.000 0.963 346 R CB -0.198 30.146 30.300 0.073 0.000 0.858 346 R HN 0.354 nan 8.270 nan 0.000 0.435 347 E N 0.212 120.545 120.200 0.223 0.000 2.077 347 E HA -0.193 4.262 4.350 0.174 0.000 0.193 347 E C 2.133 178.806 176.600 0.121 0.000 0.989 347 E CA 0.878 57.409 56.400 0.218 0.000 0.800 347 E CB -0.094 29.724 29.700 0.198 0.000 0.746 347 E HN 0.209 nan 8.360 nan 0.000 0.452 348 R N 1.378 121.939 120.500 0.100 0.000 2.070 348 R HA -0.194 4.250 4.340 0.174 0.000 0.233 348 R C 2.304 178.645 176.300 0.068 0.000 1.137 348 R CA 1.944 58.091 56.100 0.078 0.000 0.945 348 R CB -0.167 30.183 30.300 0.083 0.000 0.845 348 R HN 0.262 nan 8.270 nan 0.000 0.430 349 E N -0.046 120.197 120.200 0.073 0.000 2.265 349 E HA -0.214 4.240 4.350 0.174 0.000 0.196 349 E C 1.548 178.181 176.600 0.054 0.000 0.996 349 E CA 1.050 57.486 56.400 0.060 0.000 0.832 349 E CB -0.118 29.619 29.700 0.062 0.000 0.756 349 E HN 0.355 nan 8.360 nan 0.000 0.491 350 R N -0.138 120.401 120.500 0.065 0.000 2.317 350 R HA 0.136 4.580 4.340 0.174 0.000 0.208 350 R C 1.038 177.352 176.300 0.024 0.000 0.914 350 R CA 0.438 56.564 56.100 0.044 0.000 1.060 350 R CB 0.549 30.879 30.300 0.050 0.000 1.015 350 R HN 0.368 nan 8.270 nan 0.000 0.498 351 G N 1.317 110.135 108.800 0.030 0.000 2.143 351 G HA2 -0.307 3.757 3.960 0.174 0.000 0.248 351 G HA3 -0.307 3.757 3.960 0.174 0.000 0.248 351 G C 0.137 175.044 174.900 0.012 0.000 0.991 351 G CA 0.200 45.311 45.100 0.019 0.000 0.689 351 G HN 0.163 nan 8.290 nan 0.000 0.522 352 M N 0.107 119.719 119.600 0.020 0.000 2.291 352 M HA 0.397 4.981 4.480 0.174 0.000 0.324 352 M C 0.701 177.017 176.300 0.026 0.000 1.148 352 M CA -0.511 54.794 55.300 0.009 0.000 1.104 352 M CB 0.920 33.522 32.600 0.003 0.000 1.483 352 M HN 0.282 nan 8.290 nan 0.000 0.467 353 E N 1.749 121.958 120.200 0.016 0.000 2.384 353 E HA 0.158 4.613 4.350 0.174 0.000 0.266 353 E C -1.181 175.440 176.600 0.035 0.000 1.012 353 E CA -0.228 56.185 56.400 0.020 0.000 0.901 353 E CB 0.606 30.311 29.700 0.009 0.000 0.967 353 E HN 0.467 nan 8.360 nan 0.000 0.435 354 I N 3.587 124.180 120.570 0.038 0.000 2.441 354 I HA 0.017 4.291 4.170 0.174 0.000 0.287 354 I C 0.540 176.667 176.117 0.017 0.000 1.049 354 I CA -0.284 61.042 61.300 0.044 0.000 1.381 354 I CB 1.266 39.297 38.000 0.052 0.000 1.409 354 I HN 0.455 nan 8.210 nan 0.000 0.523 355 S N 7.251 122.951 115.700 -0.001 0.000 2.573 355 S HA 0.123 4.697 4.470 0.174 0.000 0.277 355 S C -2.156 172.391 174.600 -0.087 0.000 1.346 355 S CA -0.788 57.377 58.200 -0.058 0.000 1.034 355 S CB 0.157 63.290 63.200 -0.112 0.000 0.879 355 S HN 0.411 nan 8.310 nan 0.000 0.528 356 P HA 0.041 nan 4.420 nan 0.000 0.261 356 P C 0.326 177.556 177.300 -0.117 0.000 1.173 356 P CA 0.677 63.728 63.100 -0.083 0.000 0.760 356 P CB 0.018 31.669 31.700 -0.082 0.000 0.783 357 M N -0.179 119.415 119.600 -0.009 0.000 2.907 357 M HA -0.262 4.322 4.480 0.174 0.000 0.186 357 M C 0.213 176.588 176.300 0.125 0.000 0.631 357 M CA 0.668 56.014 55.300 0.076 0.000 0.700 357 M CB -2.624 30.046 32.600 0.116 0.000 2.523 357 M HN 0.346 nan 8.290 nan 0.000 0.323 358 C N 0.237 119.572 119.300 0.057 0.000 2.906 358 C HA 0.184 4.748 4.460 0.174 0.000 0.274 358 C C 0.925 176.084 174.990 0.282 0.000 1.257 358 C CA -0.173 58.929 59.018 0.140 0.000 1.695 358 C CB -0.508 27.208 27.740 -0.040 0.000 1.958 358 C HN 0.429 nan 8.230 nan 0.000 0.619 359 D N 1.526 122.060 120.400 0.223 0.000 2.396 359 D HA 0.095 4.839 4.640 0.174 0.000 0.225 359 D C 1.272 177.556 176.300 -0.028 0.000 1.121 359 D CA -0.066 53.992 54.000 0.098 0.000 0.853 359 D CB 0.723 41.569 40.800 0.077 0.000 1.043 359 D HN 0.478 nan 8.370 nan 0.000 0.500 360 K N 2.995 123.143 120.400 -0.420 0.000 2.360 360 K HA -0.135 4.289 4.320 0.174 0.000 0.201 360 K C 0.522 176.765 176.600 -0.594 0.000 1.046 360 K CA 0.942 56.606 56.287 -1.037 0.000 0.945 360 K CB -0.009 31.717 32.500 -1.290 0.000 0.750 360 K HN 0.409 nan 8.250 nan 0.000 0.464 361 H N 0.677 119.642 119.070 -0.174 0.000 2.539 361 H HA 0.202 4.863 4.556 0.174 0.000 0.269 361 H C -0.085 175.213 175.328 -0.051 0.000 0.980 361 H CA 0.154 56.141 56.048 -0.101 0.000 1.152 361 H CB 0.383 30.106 29.762 -0.066 0.000 1.407 361 H HN 0.281 nan 8.280 nan 0.000 0.564 362 N N 0.497 119.226 118.700 0.049 0.000 2.639 362 N HA 0.264 5.108 4.740 0.174 0.000 0.265 362 N C -0.806 174.751 175.510 0.077 0.000 1.689 362 N CA -0.003 53.083 53.050 0.061 0.000 0.813 362 N CB 1.318 39.845 38.487 0.067 0.000 1.353 362 N HN 0.091 nan 8.380 nan 0.000 0.510 363 A N -0.080 122.791 122.820 0.084 0.000 2.299 363 A HA 0.822 5.246 4.320 0.174 0.000 0.332 363 A C 0.125 177.786 177.584 0.128 0.000 1.131 363 A CA -0.433 51.705 52.037 0.168 0.000 0.844 363 A CB 1.005 20.206 19.000 0.335 0.000 1.251 363 A HN 0.071 nan 8.150 nan 0.000 0.486 364 S N 0.629 116.408 115.700 0.131 0.000 2.359 364 S HA 0.207 4.781 4.470 0.174 0.000 0.148 364 S C 0.884 175.537 174.600 0.089 0.000 1.610 364 S CA -0.440 57.816 58.200 0.094 0.000 1.274 364 S CB 0.598 63.839 63.200 0.069 0.000 1.380 364 S HN 0.515 nan 8.310 nan 0.000 0.380 365 V N 1.701 121.681 119.914 0.111 0.000 2.252 365 V HA -0.259 3.965 4.120 0.174 0.000 0.249 365 V C 2.265 178.378 176.094 0.032 0.000 1.056 365 V CA 2.115 64.456 62.300 0.068 0.000 1.022 365 V CB -0.492 31.398 31.823 0.112 0.000 0.641 365 V HN 0.531 nan 8.190 nan 0.000 0.445 366 E N 0.075 120.336 120.200 0.102 0.000 2.051 366 E HA -0.217 4.238 4.350 0.174 0.000 0.192 366 E C 2.218 178.866 176.600 0.081 0.000 0.991 366 E CA 1.389 57.883 56.400 0.155 0.000 0.799 366 E CB -0.362 29.447 29.700 0.181 0.000 0.748 366 E HN 0.527 nan 8.360 nan 0.000 0.449 367 K N 0.193 120.637 120.400 0.073 0.000 2.147 367 K HA -0.080 4.344 4.320 0.174 0.000 0.205 367 K C 2.053 178.691 176.600 0.064 0.000 1.049 367 K CA 1.348 57.677 56.287 0.070 0.000 0.936 367 K CB -0.006 32.530 32.500 0.060 0.000 0.722 367 K HN -0.005 nan 8.250 nan 0.000 0.446 368 S N 0.520 116.244 115.700 0.040 0.000 2.406 368 S HA -0.073 4.501 4.470 0.174 0.000 0.228 368 S C 1.709 176.343 174.600 0.057 0.000 1.020 368 S CA 0.681 58.903 58.200 0.037 0.000 0.965 368 S CB -0.043 63.162 63.200 0.009 0.000 0.798 368 S HN 0.304 nan 8.310 nan 0.000 0.488 369 Q N 0.837 120.620 119.800 -0.029 0.000 2.079 369 Q HA 0.024 4.469 4.340 0.174 0.000 0.200 369 Q C 2.400 178.480 176.000 0.133 0.000 0.974 369 Q CA 0.952 56.737 55.803 -0.029 0.000 0.840 369 Q CB -0.745 27.639 28.738 -0.591 0.000 0.898 369 Q HN 0.417 nan 8.270 nan 0.000 0.430 370 V N 0.193 120.177 119.914 0.116 0.000 2.427 370 V HA -0.170 4.054 4.120 0.174 0.000 0.248 370 V C 2.258 178.479 176.094 0.212 0.000 1.051 370 V CA 1.894 64.299 62.300 0.175 0.000 1.048 370 V CB -1.084 30.835 31.823 0.159 0.000 0.666 370 V HN 0.418 nan 8.190 nan 0.000 0.456 371 G N -0.872 108.058 108.800 0.217 0.000 2.408 371 G HA2 -0.275 3.790 3.960 0.174 0.000 0.217 371 G HA3 -0.275 3.790 3.960 0.174 0.000 0.217 371 G C 1.520 176.635 174.900 0.358 0.000 1.150 371 G CA 0.783 46.052 45.100 0.282 0.000 0.776 371 G HN 0.457 nan 8.290 nan 0.000 0.542 372 F N 1.653 121.672 119.950 0.116 0.000 2.134 372 F HA 0.004 4.636 4.527 0.175 0.000 0.299 372 F C 2.378 178.262 175.800 0.141 0.000 1.097 372 F CA 0.856 58.916 58.000 0.099 0.000 1.264 372 F CB -0.312 38.711 39.000 0.039 0.000 1.001 372 F HN 0.113 nan 8.300 nan 0.000 0.479 373 I N -0.012 120.585 120.570 0.045 0.000 2.163 373 I HA -0.274 4.001 4.170 0.174 0.000 0.240 373 I C 2.111 178.264 176.117 0.060 0.000 1.081 373 I CA 1.523 62.797 61.300 -0.044 0.000 1.353 373 I CB -0.641 37.407 38.000 0.079 0.000 1.054 373 I HN 0.027 nan 8.210 nan 0.000 0.407 374 D N 0.353 120.827 120.400 0.123 0.000 2.123 374 D HA -0.199 4.545 4.640 0.174 0.000 0.196 374 D C 1.903 178.182 176.300 -0.035 0.000 0.992 374 D CA 1.799 55.818 54.000 0.031 0.000 0.833 374 D CB -0.243 40.573 40.800 0.027 0.000 0.954 374 D HN 0.386 nan 8.370 nan 0.000 0.455 375 Y N -0.702 119.641 120.300 0.072 0.000 2.478 375 Y HA 0.286 4.940 4.550 0.174 0.000 0.261 375 Y C 1.975 177.935 175.900 0.100 0.000 1.127 375 Y CA 0.099 58.255 58.100 0.093 0.000 1.288 375 Y CB 0.484 39.005 38.460 0.102 0.000 1.084 375 Y HN -0.048 nan 8.280 nan 0.000 0.530 376 I N -3.016 117.647 120.570 0.155 0.000 3.814 376 I HA -0.049 4.225 4.170 0.174 0.000 0.264 376 I C 1.641 177.731 176.117 -0.044 0.000 1.145 376 I CA 0.227 61.548 61.300 0.035 0.000 1.375 376 I CB -0.143 37.812 38.000 -0.076 0.000 1.638 376 I HN -0.284 nan 8.210 nan 0.000 0.432 377 V N 1.432 121.196 119.914 -0.249 0.000 2.307 377 V HA -0.272 3.952 4.120 0.174 0.000 0.245 377 V C 2.463 178.620 176.094 0.105 0.000 1.045 377 V CA 2.197 64.405 62.300 -0.153 0.000 1.024 377 V CB -0.948 30.622 31.823 -0.421 0.000 0.651 377 V HN 0.483 nan 8.190 nan 0.000 0.449 378 H N 0.964 120.043 119.070 0.015 0.000 2.326 378 H HA -0.083 4.577 4.556 0.173 0.000 0.301 378 H C -0.045 175.347 175.328 0.107 0.000 1.081 378 H CA 2.086 58.180 56.048 0.077 0.000 1.334 378 H CB -0.968 28.813 29.762 0.032 0.000 1.385 378 H HN 0.317 nan 8.280 nan 0.000 0.504 379 P HA -0.141 nan 4.420 nan 0.000 0.216 379 P C 1.880 179.237 177.300 0.095 0.000 1.150 379 P CA 0.862 64.058 63.100 0.160 0.000 0.837 379 P CB -0.113 31.682 31.700 0.159 0.000 0.786 380 L N -1.900 119.386 121.223 0.104 0.000 2.023 380 L HA 0.001 4.446 4.340 0.174 0.000 0.205 380 L C 1.988 178.820 176.870 -0.064 0.000 1.073 380 L CA 1.739 56.595 54.840 0.027 0.000 0.745 380 L CB -1.381 40.682 42.059 0.007 0.000 0.900 380 L HN -0.068 nan 8.230 nan 0.000 0.435 381 W N 0.393 121.666 121.300 -0.045 0.000 2.467 381 W HA -0.079 4.684 4.660 0.172 0.000 0.275 381 W C 2.593 179.075 176.519 -0.061 0.000 1.239 381 W CA 1.290 58.611 57.345 -0.040 0.000 1.266 381 W CB -0.062 29.330 29.460 -0.112 0.000 1.112 381 W HN 0.330 nan 8.180 nan 0.000 0.576 382 E N -0.230 119.978 120.200 0.012 0.000 2.051 382 E HA -0.203 4.251 4.350 0.174 0.000 0.192 382 E C 1.803 178.421 176.600 0.031 0.000 0.991 382 E CA 2.111 58.478 56.400 -0.054 0.000 0.799 382 E CB -0.157 29.479 29.700 -0.107 0.000 0.748 382 E HN 0.090 nan 8.360 nan 0.000 0.449 383 T N 0.674 115.251 114.554 0.037 0.000 2.777 383 T HA -0.169 4.285 4.350 0.174 0.000 0.266 383 T C 1.272 175.992 174.700 0.033 0.000 1.040 383 T CA 1.072 63.188 62.100 0.026 0.000 1.141 383 T CB -0.489 68.394 68.868 0.026 0.000 0.868 383 T HN 0.433 nan 8.240 nan 0.000 0.444 384 W N 2.081 123.303 121.300 -0.129 0.000 2.363 384 W HA -0.071 4.695 4.660 0.177 0.000 0.296 384 W C 2.424 178.909 176.519 -0.057 0.000 1.212 384 W CA 1.114 58.364 57.345 -0.160 0.000 1.260 384 W CB -0.386 28.842 29.460 -0.387 0.000 1.131 384 W HN 0.292 nan 8.180 nan 0.000 0.530 385 A N 0.307 123.201 122.820 0.124 0.000 2.070 385 A HA -0.210 4.215 4.320 0.174 0.000 0.220 385 A C 1.580 179.165 177.584 0.001 0.000 1.159 385 A CA 2.052 54.132 52.037 0.072 0.000 0.656 385 A CB -0.762 18.316 19.000 0.130 0.000 0.800 385 A HN 0.216 nan 8.150 nan 0.000 0.453 386 D N -0.666 119.715 120.400 -0.032 0.000 2.110 386 D HA -0.065 4.680 4.640 0.174 0.000 0.202 386 D C 1.843 178.073 176.300 -0.117 0.000 0.975 386 D CA 0.931 54.903 54.000 -0.046 0.000 0.839 386 D CB -0.364 40.398 40.800 -0.062 0.000 0.996 386 D HN 0.284 nan 8.370 nan 0.000 0.464 387 L N 0.747 121.828 121.223 -0.238 0.000 2.043 387 L HA -0.127 4.317 4.340 0.174 0.000 0.212 387 L C 1.698 178.344 176.870 -0.373 0.000 1.075 387 L CA 1.451 56.087 54.840 -0.340 0.000 0.752 387 L CB -0.238 41.508 42.059 -0.522 0.000 0.891 387 L HN 0.093 nan 8.230 nan 0.000 0.432 388 V N -3.158 116.478 119.914 -0.464 0.000 3.177 388 V HA 0.181 4.405 4.120 0.174 0.000 0.342 388 V C 0.965 176.957 176.094 -0.170 0.000 1.379 388 V CA -0.694 61.397 62.300 -0.347 0.000 1.191 388 V CB -1.495 30.061 31.823 -0.445 0.000 1.167 388 V HN 0.386 nan 8.190 nan 0.000 0.471 389 H N 4.312 123.270 119.070 -0.187 0.000 3.195 389 H HA 0.092 4.752 4.556 0.173 0.000 0.302 389 H C -1.906 173.366 175.328 -0.094 0.000 0.950 389 H CA 0.499 56.476 56.048 -0.117 0.000 1.398 389 H CB 1.572 31.275 29.762 -0.098 0.000 1.377 389 H HN 0.439 nan 8.280 nan 0.000 0.572 390 P HA 0.139 nan 4.420 nan 0.000 0.324 390 P C 0.090 177.217 177.300 -0.288 0.000 1.720 390 P CA -0.202 62.506 63.100 -0.654 0.000 1.431 390 P CB 0.343 31.374 31.700 -1.115 0.000 1.700 391 D N 1.043 121.329 120.400 -0.191 0.000 2.310 391 D HA -0.042 4.702 4.640 0.174 0.000 0.212 391 D C 1.642 177.877 176.300 -0.107 0.000 0.965 391 D CA 0.963 54.888 54.000 -0.126 0.000 0.879 391 D CB 0.073 40.820 40.800 -0.088 0.000 0.921 391 D HN 0.167 nan 8.370 nan 0.000 0.510 392 A N -0.453 122.317 122.820 -0.083 0.000 2.345 392 A HA 0.102 4.526 4.320 0.174 0.000 0.225 392 A C 1.776 179.316 177.584 -0.072 0.000 1.243 392 A CA -0.021 51.986 52.037 -0.050 0.000 0.875 392 A CB -0.093 18.991 19.000 0.140 0.000 0.929 392 A HN 0.086 nan 8.150 nan 0.000 0.502 393 Q N 1.325 121.074 119.800 -0.085 0.000 2.061 393 Q HA -0.210 4.235 4.340 0.174 0.000 0.204 393 Q C 1.161 177.118 176.000 -0.071 0.000 0.984 393 Q CA 2.446 58.211 55.803 -0.063 0.000 0.846 393 Q CB -0.240 28.454 28.738 -0.074 0.000 0.902 393 Q HN 0.658 nan 8.270 nan 0.000 0.421 394 D N -0.385 119.958 120.400 -0.094 0.000 2.178 394 D HA -0.149 4.595 4.640 0.174 0.000 0.201 394 D C 1.924 178.146 176.300 -0.129 0.000 0.980 394 D CA 1.284 55.232 54.000 -0.087 0.000 0.842 394 D CB -0.119 40.634 40.800 -0.078 0.000 0.948 394 D HN 0.403 nan 8.370 nan 0.000 0.472 395 I N 0.792 121.216 120.570 -0.243 0.000 2.202 395 I HA -0.199 4.075 4.170 0.174 0.000 0.242 395 I C 2.632 178.589 176.117 -0.267 0.000 1.091 395 I CA 0.594 61.660 61.300 -0.390 0.000 1.368 395 I CB -0.148 37.412 38.000 -0.733 0.000 1.058 395 I HN -0.030 nan 8.210 nan 0.000 0.410 396 L N 0.513 121.640 121.223 -0.160 0.000 2.093 396 L HA -0.222 4.222 4.340 0.174 0.000 0.208 396 L C 2.094 178.946 176.870 -0.030 0.000 1.085 396 L CA 1.541 56.330 54.840 -0.086 0.000 0.755 396 L CB -0.385 41.663 42.059 -0.017 0.000 0.904 396 L HN 0.281 nan 8.230 nan 0.000 0.435 397 D N -0.821 119.568 120.400 -0.020 0.000 2.117 397 D HA -0.165 4.580 4.640 0.174 0.000 0.197 397 D C 2.034 178.347 176.300 0.022 0.000 0.987 397 D CA 1.746 55.756 54.000 0.017 0.000 0.829 397 D CB -0.156 40.651 40.800 0.012 0.000 0.961 397 D HN 0.320 nan 8.370 nan 0.000 0.460 398 T N 1.643 116.194 114.554 -0.006 0.000 2.746 398 T HA -0.149 4.305 4.350 0.174 0.000 0.267 398 T C 1.941 176.652 174.700 0.019 0.000 1.039 398 T CA 0.539 62.647 62.100 0.013 0.000 1.142 398 T CB -0.335 68.539 68.868 0.011 0.000 0.866 398 T HN 0.038 nan 8.240 nan 0.000 0.444 399 L N 1.577 122.780 121.223 -0.033 0.000 1.989 399 L HA -0.117 4.327 4.340 0.174 0.000 0.211 399 L C 2.254 179.179 176.870 0.092 0.000 1.071 399 L CA 1.900 56.723 54.840 -0.028 0.000 0.749 399 L CB -0.751 41.255 42.059 -0.088 0.000 0.890 399 L HN 0.270 nan 8.230 nan 0.000 0.431 400 E N -0.655 119.620 120.200 0.124 0.000 2.110 400 E HA -0.214 4.240 4.350 0.174 0.000 0.193 400 E C 1.819 178.505 176.600 0.142 0.000 0.988 400 E CA 1.259 57.749 56.400 0.150 0.000 0.804 400 E CB -0.189 29.597 29.700 0.145 0.000 0.745 400 E HN 0.593 nan 8.360 nan 0.000 0.458 401 D N 0.566 121.043 120.400 0.127 0.000 2.117 401 D HA -0.118 4.626 4.640 0.174 0.000 0.197 401 D C 1.644 178.075 176.300 0.219 0.000 0.987 401 D CA 0.732 54.819 54.000 0.145 0.000 0.829 401 D CB -0.311 40.554 40.800 0.110 0.000 0.961 401 D HN 0.095 nan 8.370 nan 0.000 0.460 402 N N 0.969 119.809 118.700 0.234 0.000 2.120 402 N HA -0.152 4.693 4.740 0.174 0.000 0.188 402 N C 1.799 177.619 175.510 0.516 0.000 1.024 402 N CA 0.500 53.782 53.050 0.387 0.000 0.852 402 N CB -0.269 38.461 38.487 0.406 0.000 1.003 402 N HN 0.277 nan 8.380 nan 0.000 0.424 403 R N 1.284 122.008 120.500 0.373 0.000 2.083 403 R HA -0.111 4.333 4.340 0.174 0.000 0.237 403 R C 1.392 177.877 176.300 0.309 0.000 1.137 403 R CA 1.232 57.541 56.100 0.347 0.000 0.951 403 R CB 0.039 30.464 30.300 0.208 0.000 0.851 403 R HN 0.084 nan 8.270 nan 0.000 0.434 404 E N -0.085 120.257 120.200 0.237 0.000 2.085 404 E HA -0.237 4.217 4.350 0.174 0.000 0.194 404 E C 1.478 178.183 176.600 0.176 0.000 0.994 404 E CA 1.226 57.729 56.400 0.171 0.000 0.801 404 E CB -0.509 29.273 29.700 0.137 0.000 0.743 404 E HN 0.500 nan 8.360 nan 0.000 0.453 405 W N 0.493 121.843 121.300 0.083 0.000 2.335 405 W HA -0.257 4.507 4.660 0.173 0.000 0.311 405 W C 2.048 178.554 176.519 -0.022 0.000 1.213 405 W CA 1.636 58.983 57.345 0.003 0.000 1.274 405 W CB -0.634 28.798 29.460 -0.047 0.000 1.148 405 W HN 0.067 nan 8.180 nan 0.000 0.498 406 Y N 0.573 121.024 120.300 0.250 0.000 2.242 406 Y HA -0.282 4.372 4.550 0.174 0.000 0.291 406 Y C 2.699 178.547 175.900 -0.087 0.000 1.137 406 Y CA 2.277 60.403 58.100 0.044 0.000 1.181 406 Y CB -1.231 37.374 38.460 0.242 0.000 0.989 406 Y HN 0.066 nan 8.280 nan 0.000 0.527 407 Q N 0.610 120.500 119.800 0.149 0.000 2.112 407 Q HA -0.200 4.244 4.340 0.174 0.000 0.206 407 Q C 2.204 178.180 176.000 -0.040 0.000 0.987 407 Q CA 2.500 58.343 55.803 0.067 0.000 0.858 407 Q CB -0.569 28.215 28.738 0.076 0.000 0.905 407 Q HN 0.433 nan 8.270 nan 0.000 0.420 408 S N -1.553 114.066 115.700 -0.135 0.000 2.507 408 S HA -0.086 4.488 4.470 0.174 0.000 0.235 408 S C 1.647 176.087 174.600 -0.268 0.000 0.988 408 S CA 1.078 59.161 58.200 -0.196 0.000 0.944 408 S CB -0.625 62.434 63.200 -0.236 0.000 0.762 408 S HN 0.574 nan 8.310 nan 0.000 0.526 409 T N -0.833 113.516 114.554 -0.343 0.000 3.086 409 T HA 0.405 4.860 4.350 0.174 0.000 0.250 409 T C 0.487 175.110 174.700 -0.129 0.000 1.074 409 T CA -0.493 61.414 62.100 -0.321 0.000 0.988 409 T CB -0.624 67.918 68.868 -0.542 0.000 0.988 409 T HN 0.387 nan 8.240 nan 0.000 0.530 410 I N 4.777 125.307 120.570 -0.066 0.000 2.581 410 I HA 0.171 4.445 4.170 0.174 0.000 0.285 410 I C -1.502 174.605 176.117 -0.016 0.000 1.129 410 I CA -1.932 59.364 61.300 -0.007 0.000 1.397 410 I CB 0.279 38.291 38.000 0.020 0.000 1.399 410 I HN 0.162 nan 8.210 nan 0.000 0.537 411 P HA -0.099 nan 4.420 nan 0.000 0.268 411 P C -0.359 176.939 177.300 -0.003 0.000 1.189 411 P CA 0.090 63.186 63.100 -0.006 0.000 0.771 411 P CB 0.713 32.417 31.700 0.006 0.000 0.822 412 Q N 0.000 119.796 119.800 -0.006 0.000 2.315 412 Q HA 0.000 4.444 4.340 0.174 0.000 0.214 412 Q CA 0.000 55.801 55.803 -0.003 0.000 1.022 412 Q CB 0.000 28.734 28.738 -0.006 0.000 1.108 412 Q HN 0.000 nan 8.270 nan 0.000 0.481