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 2xro_1_F DATA FIRST_RESID 14 DATA SEQUENCE IQVIARAASI MRALGSHPHG LSLAAIAQLV GLPRSTVQRI INALEEEFLV DATA SEQUENCE EALGPAGGFR LGPALGQLIN QAQTDILSLV KPYLRSLAEE LDESVSLASL DATA SEQUENCE AGDKIYVLDR IVSERELRVV FPIGINVPAA ATAAGKVLLA ALPDETLQAA DATA SEQUENCE LGEQLPVLTS NTLGRKALVK QLSEVRQSGV ASDLDEHIDG VSSFATLLDT DATA SEQUENCE YLGYYSLAIV MPSSRASKQS DLIKKALLQS KLNIERAIGR 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 14 I HA 0.000 nan 4.170 nan 0.000 0.288 14 I C 0.000 176.113 176.117 -0.007 0.000 1.063 14 I CA 0.000 61.296 61.300 -0.006 0.000 1.566 14 I CB 0.000 37.997 38.000 -0.005 0.000 1.214 15 Q N -0.944 118.851 119.800 -0.008 0.000 1.988 15 Q HA 0.456 4.796 4.340 -0.000 0.000 0.202 15 Q C 1.146 177.139 176.000 -0.011 0.000 0.760 15 Q CA 1.165 56.962 55.803 -0.009 0.000 0.940 15 Q CB 1.618 30.351 28.738 -0.007 0.000 1.214 15 Q HN 0.776 nan 8.270 nan 0.000 0.432 16 V N -0.468 119.438 119.914 -0.013 0.000 3.590 16 V HA 0.159 4.279 4.120 -0.000 0.000 0.265 16 V C 1.329 177.412 176.094 -0.018 0.000 1.239 16 V CA 0.710 63.000 62.300 -0.017 0.000 1.117 16 V CB 0.122 31.933 31.823 -0.019 0.000 0.818 16 V HN 0.394 nan 8.190 nan 0.000 0.451 17 I N 0.601 121.162 120.570 -0.015 0.000 2.233 17 I HA -0.073 4.097 4.170 -0.000 0.000 0.243 17 I C 2.757 178.865 176.117 -0.014 0.000 1.093 17 I CA 1.349 62.641 61.300 -0.015 0.000 1.380 17 I CB -0.507 37.486 38.000 -0.011 0.000 1.067 17 I HN 0.379 nan 8.210 nan 0.000 0.413 18 A N 1.262 124.076 122.820 -0.011 0.000 1.971 18 A HA -0.273 4.047 4.320 -0.000 0.000 0.222 18 A C 2.341 179.918 177.584 -0.013 0.000 1.182 18 A CA 1.822 53.853 52.037 -0.010 0.000 0.649 18 A CB -0.649 18.346 19.000 -0.008 0.000 0.818 18 A HN 0.375 nan 8.150 nan 0.000 0.458 19 R N -0.769 119.721 120.500 -0.016 0.000 2.061 19 R HA -0.018 4.322 4.340 -0.000 0.000 0.230 19 R C 2.562 178.847 176.300 -0.025 0.000 1.140 19 R CA 1.295 57.383 56.100 -0.020 0.000 0.940 19 R CB -0.989 29.297 30.300 -0.023 0.000 0.839 19 R HN 0.482 nan 8.270 nan 0.000 0.429 20 A N 1.891 124.693 122.820 -0.029 0.000 1.948 20 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 20 A C 2.483 180.050 177.584 -0.028 0.000 1.177 20 A CA 2.023 54.039 52.037 -0.034 0.000 0.636 20 A CB -0.665 18.315 19.000 -0.034 0.000 0.815 20 A HN 0.448 nan 8.150 nan 0.000 0.449 21 A N -0.735 122.073 122.820 -0.021 0.000 1.845 21 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 21 A C 2.424 179.999 177.584 -0.015 0.000 1.195 21 A CA 2.085 54.112 52.037 -0.018 0.000 0.616 21 A CB -1.176 17.815 19.000 -0.015 0.000 0.832 21 A HN 0.467 nan 8.150 nan 0.000 0.443 22 S N -0.099 115.593 115.700 -0.013 0.000 2.400 22 S HA -0.221 4.249 4.470 -0.000 0.000 0.234 22 S C 1.762 176.359 174.600 -0.005 0.000 1.049 22 S CA 1.818 60.014 58.200 -0.007 0.000 1.039 22 S CB -0.673 62.523 63.200 -0.007 0.000 0.856 22 S HN 0.529 nan 8.310 nan 0.000 0.465 23 I N 0.915 121.476 120.570 -0.015 0.000 2.202 23 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 23 I C 2.442 178.555 176.117 -0.006 0.000 1.091 23 I CA 0.896 62.185 61.300 -0.018 0.000 1.368 23 I CB -0.462 37.513 38.000 -0.042 0.000 1.058 23 I HN 0.272 nan 8.210 nan 0.000 0.410 24 M N 0.751 120.344 119.600 -0.012 0.000 2.110 24 M HA -0.266 4.214 4.480 -0.000 0.000 0.257 24 M C 2.488 178.789 176.300 0.000 0.000 1.071 24 M CA 2.040 57.336 55.300 -0.008 0.000 1.096 24 M CB -1.420 31.171 32.600 -0.016 0.000 1.300 24 M HN 0.239 nan 8.290 nan 0.000 0.411 25 R N -0.040 120.458 120.500 -0.003 0.000 2.113 25 R HA -0.160 4.180 4.340 -0.000 0.000 0.244 25 R C 2.347 178.668 176.300 0.034 0.000 1.142 25 R CA 1.789 57.890 56.100 0.001 0.000 0.953 25 R CB -0.898 29.401 30.300 -0.001 0.000 0.860 25 R HN 0.488 nan 8.270 nan 0.000 0.438 26 A N 1.601 124.453 122.820 0.053 0.000 1.892 26 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 26 A C 2.243 179.924 177.584 0.161 0.000 1.188 26 A CA 1.463 53.570 52.037 0.116 0.000 0.631 26 A CB -0.708 18.329 19.000 0.062 0.000 0.822 26 A HN 0.221 nan 8.150 nan 0.000 0.447 27 L N -0.935 120.341 121.223 0.089 0.000 2.275 27 L HA -0.101 4.239 4.340 -0.000 0.000 0.215 27 L C 2.558 179.464 176.870 0.060 0.000 1.119 27 L CA 0.878 55.771 54.840 0.088 0.000 0.790 27 L CB -0.640 41.457 42.059 0.063 0.000 0.919 27 L HN 0.528 nan 8.230 nan 0.000 0.443 28 G N -1.589 107.228 108.800 0.029 0.000 2.623 28 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.214 28 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.214 28 G C 1.601 176.474 174.900 -0.046 0.000 1.138 28 G CA 0.297 45.387 45.100 -0.017 0.000 0.794 28 G HN 0.274 nan 8.290 nan 0.000 0.535 29 S N -0.130 115.558 115.700 -0.021 0.000 2.501 29 S HA 0.106 4.576 4.470 -0.000 0.000 0.220 29 S C 0.615 174.936 174.600 -0.465 0.000 0.997 29 S CA -0.014 58.075 58.200 -0.184 0.000 0.919 29 S CB 0.000 63.135 63.200 -0.108 0.000 0.778 29 S HN 0.555 nan 8.310 nan 0.000 0.523 30 H N -0.087 118.978 119.070 -0.008 0.000 2.616 30 H HA 0.220 4.776 4.556 -0.000 0.000 0.229 30 H C -2.399 172.914 175.328 -0.024 0.000 1.418 30 H CA -1.373 54.679 56.048 0.007 0.000 1.248 30 H CB 0.568 30.355 29.762 0.042 0.000 1.822 30 H HN 0.161 nan 8.280 nan 0.000 0.522 31 P HA -0.190 nan 4.420 nan 0.000 0.220 31 P C 1.411 178.647 177.300 -0.107 0.000 1.144 31 P CA 1.287 64.316 63.100 -0.118 0.000 0.800 31 P CB 0.126 31.688 31.700 -0.231 0.000 0.772 32 H N -1.235 117.872 119.070 0.061 0.000 2.495 32 H HA 0.213 4.769 4.556 0.000 0.000 0.287 32 H C 1.289 176.643 175.328 0.044 0.000 1.033 32 H CA 1.556 57.632 56.048 0.046 0.000 1.307 32 H CB -0.197 29.592 29.762 0.045 0.000 1.401 32 H HN 0.144 nan 8.280 nan 0.000 0.555 33 G N -0.313 108.582 108.800 0.158 0.000 2.351 33 G HA2 0.152 4.112 3.960 -0.000 0.000 0.472 33 G HA3 0.152 4.112 3.960 -0.000 0.000 0.472 33 G C -1.559 173.400 174.900 0.099 0.000 1.570 33 G CA -0.880 44.283 45.100 0.105 0.000 0.921 33 G HN 0.113 nan 8.290 nan 0.000 0.674 34 L N 1.270 122.551 121.223 0.097 0.000 2.408 34 L HA 0.719 5.059 4.340 -0.000 0.000 0.268 34 L C 0.629 177.576 176.870 0.129 0.000 0.986 34 L CA -1.022 53.865 54.840 0.078 0.000 0.820 34 L CB 2.223 44.311 42.059 0.049 0.000 1.303 34 L HN 0.722 nan 8.230 nan 0.000 0.411 35 S N 1.233 116.984 115.700 0.085 0.000 2.610 35 S HA 0.293 4.763 4.470 -0.000 0.000 0.273 35 S C 1.055 175.734 174.600 0.130 0.000 1.274 35 S CA -0.740 57.536 58.200 0.127 0.000 1.023 35 S CB 1.008 64.242 63.200 0.057 0.000 0.962 35 S HN 0.494 nan 8.310 nan 0.000 0.523 36 L N 3.311 124.638 121.223 0.173 0.000 2.261 36 L HA 0.149 4.489 4.340 -0.000 0.000 0.216 36 L C 2.361 179.248 176.870 0.028 0.000 1.114 36 L CA 1.883 56.767 54.840 0.075 0.000 0.777 36 L CB -1.854 40.238 42.059 0.054 0.000 0.910 36 L HN 0.666 nan 8.230 nan 0.000 0.440 37 A N 0.847 123.686 122.820 0.032 0.000 1.835 37 A HA -0.002 4.318 4.320 -0.000 0.000 0.215 37 A C 2.613 180.192 177.584 -0.008 0.000 1.199 37 A CA 2.148 54.190 52.037 0.009 0.000 0.615 37 A CB -1.298 17.707 19.000 0.009 0.000 0.838 37 A HN 0.504 nan 8.150 nan 0.000 0.444 38 A N -0.058 122.752 122.820 -0.016 0.000 1.948 38 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 38 A C 2.112 179.658 177.584 -0.063 0.000 1.177 38 A CA 1.792 53.797 52.037 -0.053 0.000 0.636 38 A CB -0.799 18.154 19.000 -0.079 0.000 0.815 38 A HN 0.564 nan 8.150 nan 0.000 0.449 39 I N -0.370 120.178 120.570 -0.038 0.000 2.179 39 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 39 I C 2.928 179.027 176.117 -0.031 0.000 1.088 39 I CA 1.069 62.347 61.300 -0.036 0.000 1.357 39 I CB -0.538 37.447 38.000 -0.025 0.000 1.051 39 I HN 0.334 nan 8.210 nan 0.000 0.409 40 A N 0.224 123.030 122.820 -0.024 0.000 2.024 40 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 40 A C 2.304 179.877 177.584 -0.018 0.000 1.164 40 A CA 1.505 53.530 52.037 -0.020 0.000 0.643 40 A CB -0.364 18.627 19.000 -0.015 0.000 0.806 40 A HN 0.431 nan 8.150 nan 0.000 0.451 41 Q N -0.573 119.213 119.800 -0.023 0.000 2.089 41 Q HA 0.088 4.428 4.340 -0.000 0.000 0.195 41 Q C 2.148 178.138 176.000 -0.018 0.000 0.963 41 Q CA 0.852 56.642 55.803 -0.020 0.000 0.834 41 Q CB -0.492 28.232 28.738 -0.024 0.000 0.906 41 Q HN 0.686 nan 8.270 nan 0.000 0.452 42 L N 0.685 121.891 121.223 -0.028 0.000 2.349 42 L HA -0.078 4.262 4.340 -0.000 0.000 0.220 42 L C 0.194 177.064 176.870 0.000 0.000 1.130 42 L CA 0.439 55.272 54.840 -0.011 0.000 0.791 42 L CB 0.224 42.270 42.059 -0.021 0.000 0.918 42 L HN -0.077 nan 8.230 nan 0.000 0.444 43 V N -2.161 117.749 119.914 -0.008 0.000 2.760 43 V HA 0.353 4.473 4.120 -0.000 0.000 0.309 43 V C 0.650 176.739 176.094 -0.009 0.000 1.077 43 V CA -0.742 61.555 62.300 -0.006 0.000 0.910 43 V CB 1.347 33.165 31.823 -0.009 0.000 1.008 43 V HN 0.013 nan 8.190 nan 0.000 0.424 44 G N 3.384 112.180 108.800 -0.006 0.000 3.325 44 G HA2 0.356 4.316 3.960 -0.000 0.000 0.242 44 G HA3 0.356 4.316 3.960 -0.000 0.000 0.242 44 G C -0.364 174.530 174.900 -0.010 0.000 1.120 44 G CA 0.287 45.383 45.100 -0.007 0.000 1.778 44 G HN 0.376 nan 8.290 nan 0.000 0.610 45 L N 0.629 121.844 121.223 -0.013 0.000 2.325 45 L HA 0.430 4.770 4.340 -0.000 0.000 0.281 45 L C -2.077 174.782 176.870 -0.018 0.000 1.004 45 L CA -2.076 52.754 54.840 -0.017 0.000 0.823 45 L CB 2.059 44.105 42.059 -0.022 0.000 1.236 45 L HN -0.084 nan 8.230 nan 0.000 0.415 46 P HA 0.016 nan 4.420 nan 0.000 0.266 46 P C 0.731 178.019 177.300 -0.019 0.000 1.180 46 P CA -0.002 63.089 63.100 -0.015 0.000 0.765 46 P CB 0.668 32.360 31.700 -0.014 0.000 0.806 47 R N 2.058 122.549 120.500 -0.015 0.000 2.094 47 R HA -0.202 4.138 4.340 -0.000 0.000 0.239 47 R C 2.271 178.557 176.300 -0.022 0.000 1.137 47 R CA 2.453 58.544 56.100 -0.016 0.000 0.943 47 R CB -0.964 29.332 30.300 -0.007 0.000 0.850 47 R HN 0.478 nan 8.270 nan 0.000 0.433 48 S N -0.979 114.709 115.700 -0.019 0.000 2.359 48 S HA -0.163 4.307 4.470 -0.000 0.000 0.224 48 S C 1.733 176.313 174.600 -0.033 0.000 1.035 48 S CA 1.985 60.172 58.200 -0.022 0.000 1.018 48 S CB -0.442 62.748 63.200 -0.017 0.000 0.876 48 S HN 0.578 nan 8.310 nan 0.000 0.448 49 T N 1.982 116.516 114.554 -0.032 0.000 2.635 49 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 49 T C 1.864 176.530 174.700 -0.056 0.000 1.040 49 T CA 1.744 63.821 62.100 -0.039 0.000 1.156 49 T CB -0.833 68.015 68.868 -0.032 0.000 0.863 49 T HN 0.293 nan 8.240 nan 0.000 0.430 50 V N 2.028 121.907 119.914 -0.059 0.000 2.278 50 V HA -0.306 3.814 4.120 -0.000 0.000 0.251 50 V C 2.648 178.668 176.094 -0.123 0.000 1.062 50 V CA 2.367 64.615 62.300 -0.086 0.000 1.038 50 V CB -0.995 30.784 31.823 -0.073 0.000 0.646 50 V HN 0.487 nan 8.190 nan 0.000 0.447 51 Q N 0.882 120.625 119.800 -0.095 0.000 1.978 51 Q HA -0.288 4.052 4.340 -0.000 0.000 0.211 51 Q C 2.266 178.198 176.000 -0.114 0.000 1.013 51 Q CA 2.550 58.294 55.803 -0.099 0.000 0.869 51 Q CB -0.459 28.250 28.738 -0.048 0.000 0.953 51 Q HN 0.564 nan 8.270 nan 0.000 0.415 52 R N -0.224 120.228 120.500 -0.079 0.000 2.080 52 R HA -0.116 4.224 4.340 -0.000 0.000 0.236 52 R C 2.568 178.814 176.300 -0.090 0.000 1.137 52 R CA 1.877 57.934 56.100 -0.071 0.000 0.943 52 R CB -0.660 29.610 30.300 -0.050 0.000 0.846 52 R HN 0.428 nan 8.270 nan 0.000 0.431 53 I N 0.775 121.289 120.570 -0.093 0.000 2.127 53 I HA -0.322 3.848 4.170 -0.000 0.000 0.241 53 I C 2.336 178.372 176.117 -0.134 0.000 1.075 53 I CA 1.155 62.398 61.300 -0.095 0.000 1.334 53 I CB -0.443 37.507 38.000 -0.084 0.000 1.040 53 I HN 0.138 nan 8.210 nan 0.000 0.405 54 I N 1.104 121.553 120.570 -0.202 0.000 2.145 54 I HA -0.355 3.815 4.170 -0.000 0.000 0.244 54 I C 2.203 178.164 176.117 -0.260 0.000 1.075 54 I CA 2.000 63.109 61.300 -0.318 0.000 1.332 54 I CB -1.701 35.937 38.000 -0.604 0.000 1.033 54 I HN 0.356 nan 8.210 nan 0.000 0.410 55 N N 0.656 119.235 118.700 -0.203 0.000 2.036 55 N HA -0.197 4.543 4.740 -0.000 0.000 0.195 55 N C 1.953 177.401 175.510 -0.102 0.000 1.037 55 N CA 2.170 55.145 53.050 -0.125 0.000 0.855 55 N CB -0.257 38.180 38.487 -0.083 0.000 1.033 55 N HN 0.432 nan 8.380 nan 0.000 0.423 56 A N 0.799 123.565 122.820 -0.089 0.000 1.873 56 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 56 A C 2.193 179.734 177.584 -0.072 0.000 1.193 56 A CA 1.370 53.366 52.037 -0.069 0.000 0.629 56 A CB -1.050 17.917 19.000 -0.055 0.000 0.826 56 A HN 0.259 nan 8.150 nan 0.000 0.447 57 L N -0.847 120.329 121.223 -0.079 0.000 2.013 57 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 57 L C 2.710 179.537 176.870 -0.071 0.000 1.073 57 L CA 2.100 56.902 54.840 -0.063 0.000 0.753 57 L CB -0.655 41.361 42.059 -0.070 0.000 0.890 57 L HN 0.649 nan 8.230 nan 0.000 0.432 58 E N 0.314 120.456 120.200 -0.097 0.000 2.097 58 E HA -0.313 4.037 4.350 -0.000 0.000 0.196 58 E C 2.060 178.515 176.600 -0.241 0.000 1.000 58 E CA 1.641 57.971 56.400 -0.117 0.000 0.804 58 E CB 0.043 29.706 29.700 -0.062 0.000 0.740 58 E HN 0.340 nan 8.360 nan 0.000 0.454 59 E N 0.639 120.727 120.200 -0.188 0.000 2.118 59 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 59 E C 1.317 177.793 176.600 -0.207 0.000 0.992 59 E CA 1.368 57.640 56.400 -0.213 0.000 0.804 59 E CB 0.019 29.655 29.700 -0.107 0.000 0.741 59 E HN 0.184 nan 8.360 nan 0.000 0.458 60 E N -1.551 118.599 120.200 -0.083 0.000 2.445 60 E HA 0.113 4.463 4.350 -0.000 0.000 0.189 60 E C -0.468 176.264 176.600 0.219 0.000 1.069 60 E CA -0.088 56.355 56.400 0.071 0.000 0.871 60 E CB -0.182 29.553 29.700 0.059 0.000 0.991 60 E HN 0.238 nan 8.360 nan 0.000 0.481 61 F N -2.457 117.500 119.950 0.011 0.000 2.953 61 F HA -0.255 4.272 4.527 -0.000 0.000 0.292 61 F C 0.682 176.490 175.800 0.014 0.000 0.747 61 F CA 0.085 58.094 58.000 0.016 0.000 1.222 61 F CB -1.410 37.598 39.000 0.013 0.000 1.457 61 F HN 0.131 nan 8.300 nan 0.000 0.383 62 L N -0.978 120.316 121.223 0.118 0.000 2.554 62 L HA 0.209 4.549 4.340 -0.000 0.000 0.226 62 L C 0.632 177.536 176.870 0.057 0.000 1.137 62 L CA 0.699 55.585 54.840 0.077 0.000 0.863 62 L CB 0.101 42.184 42.059 0.040 0.000 0.985 62 L HN 0.027 nan 8.230 nan 0.000 0.451 63 V N -1.658 118.289 119.914 0.056 0.000 3.012 63 V HA 0.333 4.453 4.120 -0.000 0.000 0.307 63 V C -0.606 175.546 176.094 0.097 0.000 1.166 63 V CA -1.148 61.194 62.300 0.071 0.000 0.974 63 V CB 2.797 34.645 31.823 0.043 0.000 1.040 63 V HN -0.036 nan 8.190 nan 0.000 0.428 64 E N 1.429 121.708 120.200 0.132 0.000 2.207 64 E HA 0.753 5.103 4.350 -0.000 0.000 0.270 64 E C -0.502 176.187 176.600 0.147 0.000 0.927 64 E CA -0.729 55.742 56.400 0.118 0.000 0.799 64 E CB 2.276 32.028 29.700 0.087 0.000 1.172 64 E HN 0.883 nan 8.360 nan 0.000 0.404 65 A N 2.182 125.042 122.820 0.066 0.000 2.331 65 A HA 0.192 4.512 4.320 -0.000 0.000 0.283 65 A C 0.079 177.569 177.584 -0.155 0.000 1.142 65 A CA -0.307 51.653 52.037 -0.128 0.000 0.812 65 A CB 0.286 19.222 19.000 -0.106 0.000 1.074 65 A HN 0.511 nan 8.150 nan 0.000 0.497 66 L N 2.501 123.565 121.223 -0.266 0.000 2.715 66 L HA 0.428 4.768 4.340 -0.000 0.000 0.238 66 L C 0.981 177.771 176.870 -0.133 0.000 1.212 66 L CA 1.398 56.147 54.840 -0.152 0.000 1.017 66 L CB -1.296 40.678 42.059 -0.141 0.000 1.269 66 L HN 1.411 nan 8.230 nan 0.000 0.452 67 G N -1.008 107.711 108.800 -0.136 0.000 2.710 67 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.668 67 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.668 67 G C -1.706 173.123 174.900 -0.119 0.000 1.320 67 G CA -0.451 44.590 45.100 -0.098 0.000 0.860 67 G HN 0.113 nan 8.290 nan 0.000 0.538 68 P HA 0.109 nan 4.420 nan 0.000 0.218 68 P C 1.366 178.619 177.300 -0.079 0.000 1.146 68 P CA 2.030 65.088 63.100 -0.070 0.000 0.820 68 P CB -0.088 31.586 31.700 -0.043 0.000 0.778 69 A N 0.109 122.881 122.820 -0.081 0.000 2.406 69 A HA 0.461 4.781 4.320 -0.000 0.000 0.243 69 A C 1.002 178.516 177.584 -0.118 0.000 1.082 69 A CA 0.121 52.111 52.037 -0.077 0.000 0.786 69 A CB -0.410 18.554 19.000 -0.060 0.000 1.029 69 A HN 0.180 nan 8.150 nan 0.000 0.495 70 G N -0.168 108.577 108.800 -0.091 0.000 2.298 70 G HA2 0.556 4.516 3.960 -0.000 0.000 0.263 70 G HA3 0.556 4.516 3.960 -0.000 0.000 0.263 70 G C 0.316 175.135 174.900 -0.136 0.000 1.229 70 G CA 0.580 45.618 45.100 -0.104 0.000 0.976 70 G HN 1.712 nan 8.290 nan 0.000 0.459 71 G N 0.445 109.075 108.800 -0.285 0.000 2.384 71 G HA2 0.494 4.454 3.960 -0.000 0.000 0.300 71 G HA3 0.494 4.454 3.960 -0.000 0.000 0.300 71 G C -1.507 173.046 174.900 -0.578 0.000 1.582 71 G CA -0.931 44.019 45.100 -0.250 0.000 0.875 71 G HN 0.520 nan 8.290 nan 0.000 0.628 72 F N 1.536 121.491 119.950 0.007 0.000 2.915 72 F HA 0.473 5.000 4.527 -0.000 0.000 0.350 72 F C 0.675 176.482 175.800 0.011 0.000 1.248 72 F CA -0.951 57.052 58.000 0.004 0.000 1.084 72 F CB 1.874 40.871 39.000 -0.006 0.000 1.391 72 F HN 0.708 nan 8.300 nan 0.000 0.548 73 R N 2.232 122.821 120.500 0.149 0.000 2.541 73 R HA 0.736 5.076 4.340 -0.000 0.000 0.254 73 R C -0.540 175.820 176.300 0.100 0.000 1.130 73 R CA -0.895 55.266 56.100 0.103 0.000 1.152 73 R CB 0.890 31.227 30.300 0.062 0.000 1.222 73 R HN 0.520 nan 8.270 nan 0.000 0.579 74 L N 0.335 121.596 121.223 0.065 0.000 2.467 74 L HA 0.234 4.574 4.340 -0.000 0.000 0.270 74 L C 1.017 177.925 176.870 0.064 0.000 1.205 74 L CA 0.003 54.875 54.840 0.053 0.000 0.828 74 L CB 0.440 42.515 42.059 0.027 0.000 1.101 74 L HN 0.845 nan 8.230 nan 0.000 0.479 75 G N 0.807 109.649 108.800 0.070 0.000 2.488 75 G HA2 0.422 4.382 3.960 -0.000 0.000 0.318 75 G HA3 0.422 4.382 3.960 -0.000 0.000 0.318 75 G C -2.101 172.853 174.900 0.089 0.000 1.188 75 G CA -1.050 44.110 45.100 0.100 0.000 0.944 75 G HN 0.437 nan 8.290 nan 0.000 0.495 76 P HA -0.043 nan 4.420 nan 0.000 0.220 76 P C 2.066 179.392 177.300 0.045 0.000 1.148 76 P CA 1.504 64.642 63.100 0.064 0.000 0.803 76 P CB 0.190 31.924 31.700 0.056 0.000 0.782 77 A N -0.006 122.863 122.820 0.082 0.000 1.927 77 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 77 A C 2.166 179.769 177.584 0.031 0.000 1.185 77 A CA 1.694 53.766 52.037 0.059 0.000 0.639 77 A CB -1.728 17.339 19.000 0.111 0.000 0.820 77 A HN 0.134 nan 8.150 nan 0.000 0.451 78 L N -0.951 120.291 121.223 0.032 0.000 1.978 78 L HA -0.231 4.109 4.340 -0.000 0.000 0.218 78 L C 2.900 179.774 176.870 0.007 0.000 1.075 78 L CA 1.582 56.430 54.840 0.013 0.000 0.767 78 L CB -1.179 40.884 42.059 0.007 0.000 0.890 78 L HN 0.501 nan 8.230 nan 0.000 0.434 79 G N -1.254 107.551 108.800 0.009 0.000 2.442 79 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 79 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 79 G C 1.448 176.348 174.900 -0.001 0.000 1.141 79 G CA 0.213 45.316 45.100 0.005 0.000 0.763 79 G HN 0.339 nan 8.290 nan 0.000 0.554 80 Q N -0.276 119.519 119.800 -0.007 0.000 2.368 80 Q HA 0.054 4.394 4.340 -0.000 0.000 0.210 80 Q C 2.312 178.305 176.000 -0.011 0.000 0.982 80 Q CA 0.674 56.465 55.803 -0.019 0.000 0.884 80 Q CB -0.041 28.675 28.738 -0.038 0.000 0.933 80 Q HN 0.516 nan 8.270 nan 0.000 0.460 81 L N -0.791 120.430 121.223 -0.002 0.000 2.638 81 L HA 0.071 4.410 4.340 -0.000 0.000 0.232 81 L C 1.728 178.600 176.870 0.004 0.000 1.099 81 L CA -0.226 54.615 54.840 0.001 0.000 0.883 81 L CB 0.083 42.145 42.059 0.004 0.000 1.136 81 L HN 0.095 nan 8.230 nan 0.000 0.492 82 I N 1.372 121.946 120.570 0.006 0.000 2.657 82 I HA -0.258 3.912 4.170 -0.000 0.000 0.261 82 I C 1.749 177.875 176.117 0.014 0.000 1.212 82 I CA 1.477 62.785 61.300 0.013 0.000 1.453 82 I CB -2.079 35.932 38.000 0.019 0.000 1.092 82 I HN 0.587 nan 8.210 nan 0.000 0.452 83 N N 0.836 119.542 118.700 0.009 0.000 1.220 83 N HA -0.357 4.383 4.740 -0.000 0.000 0.114 83 N C 0.601 176.118 175.510 0.010 0.000 0.835 83 N CA 1.241 54.296 53.050 0.008 0.000 0.863 83 N CB -1.230 37.262 38.487 0.008 0.000 0.992 83 N HN 0.474 nan 8.380 nan 0.000 0.632 84 Q N 1.368 121.174 119.800 0.011 0.000 2.835 84 Q HA 0.499 4.839 4.340 -0.000 0.000 0.235 84 Q C 0.474 176.483 176.000 0.014 0.000 1.313 84 Q CA 0.775 56.585 55.803 0.011 0.000 1.053 84 Q CB -0.911 27.832 28.738 0.009 0.000 1.443 84 Q HN 2.388 nan 8.270 nan 0.000 0.576 85 A N 2.970 125.800 122.820 0.017 0.000 2.060 85 A HA -0.168 4.152 4.320 -0.000 0.000 0.267 85 A C 0.709 178.308 177.584 0.025 0.000 1.378 85 A CA 0.534 52.583 52.037 0.020 0.000 0.733 85 A CB -0.798 18.210 19.000 0.014 0.000 1.188 85 A HN 0.811 nan 8.150 nan 0.000 0.311 86 Q N -0.049 119.774 119.800 0.038 0.000 2.515 86 Q HA -0.002 4.338 4.340 -0.000 0.000 0.214 86 Q C 0.263 176.311 176.000 0.079 0.000 0.971 86 Q CA 1.389 57.225 55.803 0.055 0.000 0.952 86 Q CB -0.276 28.497 28.738 0.058 0.000 0.999 86 Q HN 0.841 nan 8.270 nan 0.000 0.524 87 T N 1.748 116.332 114.554 0.049 0.000 3.241 87 T HA 0.291 4.641 4.350 -0.000 0.000 0.387 87 T C -0.828 173.857 174.700 -0.025 0.000 1.451 87 T CA -0.496 61.614 62.100 0.015 0.000 1.363 87 T CB 0.417 69.307 68.868 0.036 0.000 1.074 87 T HN -0.102 nan 8.240 nan 0.000 0.598 88 D N 2.745 123.115 120.400 -0.050 0.000 2.634 88 D HA 0.106 4.746 4.640 -0.000 0.000 0.236 88 D C 1.627 177.876 176.300 -0.084 0.000 1.323 88 D CA -0.424 53.547 54.000 -0.049 0.000 0.884 88 D CB 0.606 41.398 40.800 -0.014 0.000 1.496 88 D HN 0.340 nan 8.370 nan 0.000 0.525 89 I N -1.006 119.464 120.570 -0.167 0.000 2.462 89 I HA -0.286 3.884 4.170 -0.000 0.000 0.259 89 I C 1.891 177.922 176.117 -0.143 0.000 1.156 89 I CA 0.985 62.132 61.300 -0.256 0.000 1.417 89 I CB -0.937 36.732 38.000 -0.552 0.000 1.088 89 I HN 0.312 nan 8.210 nan 0.000 0.442 90 L N 1.060 122.244 121.223 -0.065 0.000 1.943 90 L HA -0.204 4.136 4.340 -0.000 0.000 0.215 90 L C 2.681 179.542 176.870 -0.015 0.000 1.074 90 L CA 2.073 56.901 54.840 -0.020 0.000 0.759 90 L CB -0.666 41.399 42.059 0.010 0.000 0.888 90 L HN 0.208 nan 8.230 nan 0.000 0.433 91 S N -0.593 115.101 115.700 -0.010 0.000 2.555 91 S HA -0.024 4.446 4.470 -0.000 0.000 0.230 91 S C 1.683 176.285 174.600 0.003 0.000 0.978 91 S CA 0.585 58.787 58.200 0.003 0.000 0.934 91 S CB -0.019 63.185 63.200 0.007 0.000 0.766 91 S HN 0.272 nan 8.310 nan 0.000 0.533 92 L N 0.202 121.409 121.223 -0.027 0.000 2.354 92 L HA 0.169 4.509 4.340 -0.000 0.000 0.212 92 L C 1.338 178.172 176.870 -0.060 0.000 1.091 92 L CA 0.589 55.404 54.840 -0.042 0.000 0.828 92 L CB 0.310 42.317 42.059 -0.088 0.000 0.973 92 L HN 0.170 nan 8.230 nan 0.000 0.461 93 V N -1.679 118.198 119.914 -0.061 0.000 3.570 93 V HA -0.021 4.099 4.120 -0.000 0.000 0.257 93 V C 2.053 178.191 176.094 0.074 0.000 1.272 93 V CA 0.247 62.514 62.300 -0.054 0.000 1.079 93 V CB 0.490 32.240 31.823 -0.122 0.000 0.829 93 V HN 0.245 nan 8.190 nan 0.000 0.454 94 K N 0.865 121.297 120.400 0.054 0.000 2.077 94 K HA -0.242 4.078 4.320 -0.000 0.000 0.213 94 K C -0.365 176.295 176.600 0.099 0.000 1.051 94 K CA 2.318 58.643 56.287 0.063 0.000 0.929 94 K CB -0.999 31.523 32.500 0.036 0.000 0.715 94 K HN 0.388 nan 8.250 nan 0.000 0.451 95 P HA -0.184 nan 4.420 nan 0.000 0.214 95 P C 0.814 178.172 177.300 0.097 0.000 1.163 95 P CA 1.576 64.744 63.100 0.114 0.000 0.889 95 P CB -0.122 31.682 31.700 0.173 0.000 0.790 96 Y N -1.389 118.909 120.300 -0.003 0.000 2.293 96 Y HA -0.092 4.458 4.550 -0.000 0.000 0.291 96 Y C 2.384 178.288 175.900 0.007 0.000 1.137 96 Y CA 0.248 58.349 58.100 0.002 0.000 1.202 96 Y CB -0.770 37.691 38.460 0.001 0.000 0.990 96 Y HN -0.132 nan 8.280 nan 0.000 0.537 97 L N -0.246 121.074 121.223 0.162 0.000 1.976 97 L HA -0.243 4.097 4.340 -0.000 0.000 0.209 97 L C 2.493 179.397 176.870 0.057 0.000 1.071 97 L CA 1.486 56.383 54.840 0.094 0.000 0.746 97 L CB -0.564 41.538 42.059 0.071 0.000 0.890 97 L HN 0.159 nan 8.230 nan 0.000 0.432 98 R N -0.482 120.042 120.500 0.040 0.000 2.117 98 R HA -0.199 4.141 4.340 -0.000 0.000 0.243 98 R C 2.609 178.909 176.300 0.000 0.000 1.143 98 R CA 1.666 57.775 56.100 0.014 0.000 0.968 98 R CB -0.508 29.795 30.300 0.004 0.000 0.863 98 R HN 0.317 nan 8.270 nan 0.000 0.444 99 S N 0.787 116.479 115.700 -0.014 0.000 2.351 99 S HA -0.161 4.309 4.470 -0.000 0.000 0.220 99 S C 1.890 176.483 174.600 -0.011 0.000 1.035 99 S CA 1.310 59.484 58.200 -0.042 0.000 1.031 99 S CB -0.236 62.898 63.200 -0.110 0.000 0.928 99 S HN 0.247 nan 8.310 nan 0.000 0.433 100 L N 1.906 123.140 121.223 0.018 0.000 2.017 100 L HA 0.123 4.463 4.340 -0.000 0.000 0.208 100 L C 2.616 179.501 176.870 0.025 0.000 1.073 100 L CA 2.234 57.092 54.840 0.030 0.000 0.745 100 L CB -1.312 40.782 42.059 0.057 0.000 0.894 100 L HN 0.387 nan 8.230 nan 0.000 0.432 101 A N -1.310 121.528 122.820 0.030 0.000 2.019 101 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 101 A C 2.206 179.799 177.584 0.014 0.000 1.164 101 A CA 1.657 53.710 52.037 0.028 0.000 0.644 101 A CB -0.549 18.468 19.000 0.029 0.000 0.805 101 A HN 0.523 nan 8.150 nan 0.000 0.449 102 E N -0.292 119.911 120.200 0.005 0.000 2.107 102 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 102 E C 1.970 178.568 176.600 -0.003 0.000 0.982 102 E CA 1.284 57.682 56.400 -0.002 0.000 0.809 102 E CB -0.128 29.566 29.700 -0.011 0.000 0.756 102 E HN 0.749 nan 8.360 nan 0.000 0.459 103 E N -0.520 119.678 120.200 -0.003 0.000 2.152 103 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 103 E C 1.528 178.126 176.600 -0.003 0.000 0.983 103 E CA 0.821 57.218 56.400 -0.006 0.000 0.818 103 E CB 0.141 29.837 29.700 -0.007 0.000 0.758 103 E HN 0.274 nan 8.360 nan 0.000 0.467 104 L N -0.483 120.742 121.223 0.004 0.000 2.642 104 L HA 0.104 4.444 4.340 -0.000 0.000 0.233 104 L C 0.606 177.482 176.870 0.010 0.000 1.077 104 L CA 0.209 55.051 54.840 0.005 0.000 0.879 104 L CB 0.659 42.722 42.059 0.008 0.000 1.151 104 L HN 0.070 nan 8.230 nan 0.000 0.495 105 D N 0.612 121.020 120.400 0.014 0.000 3.090 105 D HA -0.156 4.484 4.640 -0.000 0.000 0.215 105 D C -0.033 176.283 176.300 0.027 0.000 1.140 105 D CA 0.788 54.798 54.000 0.016 0.000 0.937 105 D CB -0.222 40.584 40.800 0.011 0.000 1.108 105 D HN 0.267 nan 8.370 nan 0.000 0.420 106 E N 0.046 120.267 120.200 0.036 0.000 2.179 106 E HA 0.425 4.775 4.350 -0.000 0.000 0.275 106 E C -0.020 176.621 176.600 0.068 0.000 0.945 106 E CA -0.568 55.864 56.400 0.054 0.000 0.792 106 E CB 1.467 31.205 29.700 0.063 0.000 1.125 106 E HN 0.027 nan 8.360 nan 0.000 0.397 107 S N 1.010 116.760 115.700 0.084 0.000 2.552 107 S HA 0.159 4.629 4.470 -0.000 0.000 0.289 107 S C 0.464 175.147 174.600 0.138 0.000 1.304 107 S CA -0.450 57.814 58.200 0.107 0.000 1.063 107 S CB 0.401 63.690 63.200 0.148 0.000 0.848 107 S HN 0.437 nan 8.310 nan 0.000 0.499 108 V N 0.380 120.371 119.914 0.128 0.000 3.126 108 V HA 1.028 5.148 4.120 -0.000 0.000 0.314 108 V C -0.467 175.731 176.094 0.173 0.000 1.138 108 V CA -0.666 61.718 62.300 0.140 0.000 1.034 108 V CB 2.117 34.000 31.823 0.100 0.000 1.075 108 V HN 1.011 nan 8.190 nan 0.000 0.442 109 S N 2.202 118.007 115.700 0.174 0.000 2.547 109 S HA 0.778 5.248 4.470 -0.000 0.000 0.270 109 S C -1.516 173.171 174.600 0.144 0.000 1.150 109 S CA -0.666 57.649 58.200 0.191 0.000 0.850 109 S CB 1.524 64.938 63.200 0.357 0.000 1.118 109 S HN 1.852 nan 8.310 nan 0.000 0.461 110 L N 1.834 123.137 121.223 0.132 0.000 2.381 110 L HA 0.960 5.300 4.340 -0.000 0.000 0.274 110 L C -0.593 176.376 176.870 0.165 0.000 0.988 110 L CA -0.139 54.785 54.840 0.140 0.000 0.824 110 L CB 1.377 43.500 42.059 0.107 0.000 1.263 110 L HN 1.307 nan 8.230 nan 0.000 0.410 111 A N 2.882 125.816 122.820 0.190 0.000 2.515 111 A HA 0.807 5.127 4.320 -0.000 0.000 0.298 111 A C -0.594 177.088 177.584 0.164 0.000 1.059 111 A CA -0.059 52.084 52.037 0.177 0.000 0.698 111 A CB 1.596 20.667 19.000 0.119 0.000 1.289 111 A HN 0.839 nan 8.150 nan 0.000 0.404 112 S N 0.467 116.246 115.700 0.132 0.000 2.694 112 S HA 0.772 5.242 4.470 -0.000 0.000 0.278 112 S C -0.449 174.135 174.600 -0.027 0.000 1.152 112 S CA -0.476 57.675 58.200 -0.081 0.000 1.010 112 S CB 0.933 64.041 63.200 -0.154 0.000 1.104 112 S HN 1.536 nan 8.310 nan 0.000 0.547 113 L N 0.604 121.772 121.223 -0.092 0.000 2.325 113 L HA 0.751 5.091 4.340 -0.000 0.000 0.281 113 L C -0.561 176.283 176.870 -0.044 0.000 1.004 113 L CA -0.770 54.043 54.840 -0.045 0.000 0.823 113 L CB 1.010 43.034 42.059 -0.059 0.000 1.236 113 L HN 0.943 nan 8.230 nan 0.000 0.415 114 A N 4.213 127.025 122.820 -0.014 0.000 2.664 114 A HA 0.664 4.984 4.320 -0.000 0.000 0.338 114 A C 0.863 178.437 177.584 -0.016 0.000 1.280 114 A CA 0.188 52.212 52.037 -0.021 0.000 0.809 114 A CB -0.238 18.755 19.000 -0.012 0.000 1.114 114 A HN 1.561 nan 8.150 nan 0.000 0.479 115 G N 2.533 111.318 108.800 -0.026 0.000 2.815 115 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.326 115 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.326 115 G C 0.704 175.591 174.900 -0.022 0.000 1.191 115 G CA 1.176 46.261 45.100 -0.024 0.000 0.965 115 G HN 1.188 nan 8.290 nan 0.000 0.564 116 D N 1.199 121.590 120.400 -0.016 0.000 2.433 116 D HA 0.243 4.883 4.640 -0.000 0.000 0.211 116 D C 0.592 176.886 176.300 -0.010 0.000 1.114 116 D CA 0.422 54.412 54.000 -0.017 0.000 0.837 116 D CB 0.260 41.048 40.800 -0.020 0.000 0.984 116 D HN 0.610 nan 8.370 nan 0.000 0.505 117 K N 1.233 121.635 120.400 0.004 0.000 2.471 117 K HA 0.454 4.774 4.320 -0.000 0.000 0.252 117 K C -0.029 176.599 176.600 0.046 0.000 0.938 117 K CA -0.828 55.474 56.287 0.024 0.000 0.796 117 K CB 2.811 35.333 32.500 0.037 0.000 1.161 117 K HN 0.067 nan 8.250 nan 0.000 0.425 118 I N -0.509 120.093 120.570 0.054 0.000 2.472 118 I HA 0.329 4.499 4.170 -0.000 0.000 0.290 118 I C -0.753 175.447 176.117 0.138 0.000 1.016 118 I CA -0.692 60.655 61.300 0.078 0.000 1.348 118 I CB 0.491 38.523 38.000 0.054 0.000 1.417 118 I HN 0.566 nan 8.210 nan 0.000 0.521 119 Y N 5.689 126.004 120.300 0.025 0.000 2.367 119 Y HA 0.416 4.966 4.550 0.000 0.000 0.342 119 Y C -0.241 175.704 175.900 0.075 0.000 0.979 119 Y CA -0.694 57.432 58.100 0.044 0.000 1.161 119 Y CB 1.212 39.688 38.460 0.027 0.000 1.155 119 Y HN 0.464 nan 8.280 nan 0.000 0.503 120 V N 9.469 129.226 119.914 -0.262 0.000 2.382 120 V HA -0.111 4.009 4.120 -0.000 0.000 0.250 120 V C 1.236 177.153 176.094 -0.296 0.000 1.069 120 V CA 0.710 62.922 62.300 -0.147 0.000 1.130 120 V CB -0.691 31.118 31.823 -0.023 0.000 1.165 120 V HN 0.951 nan 8.190 nan 0.000 0.483 121 L N 2.391 123.582 121.223 -0.054 0.000 2.056 121 L HA 0.068 4.408 4.340 -0.000 0.000 0.207 121 L C 0.899 177.774 176.870 0.010 0.000 1.078 121 L CA 1.462 56.336 54.840 0.056 0.000 0.749 121 L CB 0.045 42.237 42.059 0.222 0.000 0.901 121 L HN 0.699 nan 8.230 nan 0.000 0.433 122 D N -2.179 118.230 120.400 0.015 0.000 2.683 122 D HA 0.325 4.965 4.640 -0.000 0.000 0.246 122 D C -1.328 174.964 176.300 -0.013 0.000 1.238 122 D CA -0.738 53.252 54.000 -0.017 0.000 0.759 122 D CB 1.340 42.141 40.800 0.002 0.000 1.349 122 D HN -0.116 nan 8.370 nan 0.000 0.426 123 R N 1.469 121.922 120.500 -0.078 0.000 2.781 123 R HA 0.723 5.063 4.340 -0.000 0.000 0.269 123 R C -1.902 174.346 176.300 -0.087 0.000 1.025 123 R CA -0.645 55.405 56.100 -0.084 0.000 0.914 123 R CB 0.193 30.314 30.300 -0.298 0.000 1.236 123 R HN 0.401 nan 8.270 nan 0.000 0.465 124 I N 0.779 121.321 120.570 -0.047 0.000 2.466 124 I HA 0.352 4.522 4.170 -0.000 0.000 0.289 124 I C -0.602 175.496 176.117 -0.032 0.000 1.026 124 I CA -0.757 60.520 61.300 -0.038 0.000 1.078 124 I CB 2.340 40.340 38.000 -0.001 0.000 1.249 124 I HN 0.370 nan 8.210 nan 0.000 0.429 125 V N 5.454 125.337 119.914 -0.051 0.000 2.439 125 V HA 0.453 4.573 4.120 -0.000 0.000 0.282 125 V C 0.287 176.378 176.094 -0.004 0.000 1.039 125 V CA -0.566 61.717 62.300 -0.029 0.000 0.913 125 V CB 1.750 33.539 31.823 -0.057 0.000 0.983 125 V HN 0.866 nan 8.190 nan 0.000 0.460 126 S N 3.953 119.663 115.700 0.016 0.000 2.592 126 S HA 0.296 4.766 4.470 -0.000 0.000 0.271 126 S C 0.294 174.900 174.600 0.010 0.000 1.326 126 S CA -0.584 57.625 58.200 0.015 0.000 1.024 126 S CB 1.033 64.249 63.200 0.026 0.000 0.921 126 S HN 0.682 nan 8.310 nan 0.000 0.527 127 E N 1.276 121.480 120.200 0.006 0.000 2.370 127 E HA 0.135 4.485 4.350 -0.000 0.000 0.194 127 E C 0.075 176.679 176.600 0.006 0.000 1.057 127 E CA -0.113 56.289 56.400 0.003 0.000 1.011 127 E CB -0.112 29.587 29.700 -0.001 0.000 1.132 127 E HN 0.563 nan 8.360 nan 0.000 0.450 128 R N 0.444 120.951 120.500 0.011 0.000 2.679 128 R HA 0.100 4.440 4.340 -0.000 0.000 0.269 128 R C 1.070 177.376 176.300 0.011 0.000 1.076 128 R CA -0.081 56.026 56.100 0.011 0.000 1.160 128 R CB 0.636 30.945 30.300 0.016 0.000 1.054 128 R HN 0.043 nan 8.270 nan 0.000 0.507 129 E N 0.554 120.760 120.200 0.009 0.000 2.118 129 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 129 E C 0.175 176.782 176.600 0.011 0.000 0.992 129 E CA 1.077 57.482 56.400 0.008 0.000 0.804 129 E CB 0.067 29.771 29.700 0.007 0.000 0.741 129 E HN 0.155 nan 8.360 nan 0.000 0.458 130 L N 1.743 122.974 121.223 0.013 0.000 2.314 130 L HA 0.242 4.582 4.340 -0.000 0.000 0.275 130 L C -0.403 176.480 176.870 0.021 0.000 1.068 130 L CA -0.210 54.640 54.840 0.016 0.000 0.894 130 L CB 0.168 42.237 42.059 0.016 0.000 1.275 130 L HN -0.080 nan 8.230 nan 0.000 0.432 131 R N 3.098 123.612 120.500 0.022 0.000 2.787 131 R HA 0.867 5.207 4.340 -0.000 0.000 0.271 131 R C -1.512 174.812 176.300 0.039 0.000 0.993 131 R CA -1.031 55.087 56.100 0.031 0.000 0.993 131 R CB 1.604 31.919 30.300 0.025 0.000 1.155 131 R HN 0.201 nan 8.270 nan 0.000 0.486 132 V N 2.218 122.169 119.914 0.061 0.000 2.349 132 V HA 0.312 4.432 4.120 -0.000 0.000 0.284 132 V C -0.457 175.732 176.094 0.158 0.000 1.014 132 V CA -0.774 61.578 62.300 0.086 0.000 0.826 132 V CB 1.404 33.270 31.823 0.073 0.000 1.009 132 V HN 0.565 nan 8.190 nan 0.000 0.431 133 V N 6.045 126.042 119.914 0.138 0.000 2.547 133 V HA 0.760 4.880 4.120 -0.000 0.000 0.299 133 V C -0.418 175.821 176.094 0.242 0.000 1.040 133 V CA -0.573 61.801 62.300 0.122 0.000 0.913 133 V CB 1.509 33.350 31.823 0.030 0.000 0.992 133 V HN 0.825 nan 8.190 nan 0.000 0.449 134 F N 2.564 122.490 119.950 -0.039 0.000 2.678 134 F HA 0.888 5.415 4.527 -0.000 0.000 0.308 134 F C -3.119 172.656 175.800 -0.043 0.000 1.118 134 F CA -2.662 55.310 58.000 -0.046 0.000 0.959 134 F CB 0.407 39.367 39.000 -0.067 0.000 1.305 134 F HN 0.308 nan 8.300 nan 0.000 0.443 135 P HA 0.446 nan 4.420 nan 0.000 0.272 135 P C -0.911 176.314 177.300 -0.125 0.000 1.254 135 P CA -0.258 62.806 63.100 -0.060 0.000 0.795 135 P CB 0.629 32.336 31.700 0.013 0.000 1.022 136 I N -0.651 119.841 120.570 -0.130 0.000 2.447 136 I HA 0.457 4.627 4.170 -0.000 0.000 0.287 136 I C 0.833 176.847 176.117 -0.172 0.000 1.023 136 I CA -0.282 60.921 61.300 -0.162 0.000 1.083 136 I CB 1.608 39.516 38.000 -0.154 0.000 1.245 136 I HN 0.679 nan 8.210 nan 0.000 0.434 137 G N 5.413 114.005 108.800 -0.347 0.000 2.218 137 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 137 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 137 G C 0.226 175.007 174.900 -0.198 0.000 0.994 137 G CA -0.268 44.597 45.100 -0.392 0.000 0.637 137 G HN 0.610 nan 8.290 nan 0.000 0.505 138 I N 1.664 122.162 120.570 -0.119 0.000 2.618 138 I HA 0.308 4.478 4.170 -0.000 0.000 0.284 138 I C -0.183 175.941 176.117 0.012 0.000 1.146 138 I CA -0.356 60.940 61.300 -0.007 0.000 1.425 138 I CB 0.238 38.260 38.000 0.037 0.000 1.383 138 I HN 0.168 nan 8.210 nan 0.000 0.562 139 N N 6.764 125.511 118.700 0.080 0.000 2.422 139 N HA 0.378 5.118 4.740 -0.000 0.000 0.264 139 N C -0.798 174.755 175.510 0.072 0.000 1.063 139 N CA -0.357 52.756 53.050 0.104 0.000 0.959 139 N CB 1.440 40.000 38.487 0.122 0.000 1.087 139 N HN 0.453 nan 8.380 nan 0.000 0.483 140 V N 0.936 120.891 119.914 0.069 0.000 2.960 140 V HA 0.790 4.910 4.120 -0.000 0.000 0.315 140 V C -2.644 173.464 176.094 0.023 0.000 1.087 140 V CA -2.836 59.501 62.300 0.062 0.000 0.982 140 V CB 2.054 33.952 31.823 0.126 0.000 1.039 140 V HN 0.390 nan 8.190 nan 0.000 0.437 141 P HA 0.313 nan 4.420 nan 0.000 0.267 141 P C 0.508 177.782 177.300 -0.044 0.000 1.205 141 P CA 0.477 63.539 63.100 -0.064 0.000 0.765 141 P CB 1.226 32.841 31.700 -0.141 0.000 0.828 142 A N 4.862 127.664 122.820 -0.029 0.000 1.841 142 A HA -0.066 4.254 4.320 -0.000 0.000 0.214 142 A C 2.085 179.650 177.584 -0.031 0.000 1.195 142 A CA 1.774 53.798 52.037 -0.021 0.000 0.611 142 A CB -1.679 17.308 19.000 -0.020 0.000 0.835 142 A HN 0.496 nan 8.150 nan 0.000 0.443 143 A N -0.514 122.281 122.820 -0.042 0.000 2.194 143 A HA 0.147 4.467 4.320 -0.000 0.000 0.220 143 A C 2.196 179.749 177.584 -0.052 0.000 1.162 143 A CA 1.999 54.010 52.037 -0.044 0.000 0.674 143 A CB -0.700 18.273 19.000 -0.046 0.000 0.789 143 A HN 1.027 nan 8.150 nan 0.000 0.470 144 A N -0.764 122.015 122.820 -0.068 0.000 1.984 144 A HA 0.274 4.594 4.320 -0.000 0.000 0.214 144 A C 1.495 179.078 177.584 -0.002 0.000 1.173 144 A CA 1.390 53.375 52.037 -0.087 0.000 0.673 144 A CB -0.488 18.361 19.000 -0.252 0.000 0.830 144 A HN 0.580 nan 8.150 nan 0.000 0.453 145 T N -4.062 110.505 114.554 0.022 0.000 2.952 145 T HA 0.664 5.014 4.350 -0.000 0.000 0.286 145 T C 1.054 175.737 174.700 -0.027 0.000 1.024 145 T CA -0.197 61.915 62.100 0.021 0.000 1.029 145 T CB 1.709 70.598 68.868 0.034 0.000 1.094 145 T HN 0.355 nan 8.240 nan 0.000 0.515 146 A N 0.917 123.702 122.820 -0.058 0.000 1.897 146 A HA 0.294 4.614 4.320 -0.000 0.000 0.215 146 A C 2.570 180.144 177.584 -0.016 0.000 1.181 146 A CA 1.470 53.476 52.037 -0.052 0.000 0.620 146 A CB -1.504 17.444 19.000 -0.088 0.000 0.821 146 A HN 1.186 nan 8.150 nan 0.000 0.443 147 A N -0.136 122.678 122.820 -0.010 0.000 1.884 147 A HA -0.002 4.318 4.320 -0.000 0.000 0.219 147 A C 2.469 180.061 177.584 0.013 0.000 1.197 147 A CA 2.359 54.406 52.037 0.017 0.000 0.637 147 A CB -1.654 17.359 19.000 0.021 0.000 0.827 147 A HN 0.825 nan 8.150 nan 0.000 0.450 148 G N -0.229 108.573 108.800 0.003 0.000 2.628 148 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.217 148 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.217 148 G C 1.602 176.494 174.900 -0.014 0.000 1.240 148 G CA 1.433 46.530 45.100 -0.005 0.000 0.792 148 G HN 0.611 nan 8.290 nan 0.000 0.593 149 K N -0.283 120.107 120.400 -0.017 0.000 2.071 149 K HA -0.173 4.147 4.320 -0.000 0.000 0.217 149 K C 2.515 179.104 176.600 -0.017 0.000 1.054 149 K CA 1.670 57.945 56.287 -0.020 0.000 0.937 149 K CB -0.803 31.684 32.500 -0.020 0.000 0.719 149 K HN 0.198 nan 8.250 nan 0.000 0.454 150 V N 1.673 121.585 119.914 -0.003 0.000 2.287 150 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 150 V C 2.242 178.327 176.094 -0.016 0.000 1.053 150 V CA 1.671 63.974 62.300 0.005 0.000 1.027 150 V CB -0.341 31.503 31.823 0.035 0.000 0.646 150 V HN 0.309 nan 8.190 nan 0.000 0.447 151 L N -1.107 120.108 121.223 -0.014 0.000 2.261 151 L HA -0.205 4.135 4.340 -0.000 0.000 0.216 151 L C 2.184 179.001 176.870 -0.088 0.000 1.114 151 L CA 0.961 55.775 54.840 -0.043 0.000 0.777 151 L CB -0.281 41.763 42.059 -0.025 0.000 0.910 151 L HN 0.328 nan 8.230 nan 0.000 0.440 152 L N -1.024 120.159 121.223 -0.066 0.000 2.168 152 L HA 0.028 4.368 4.340 -0.000 0.000 0.203 152 L C 2.697 179.516 176.870 -0.084 0.000 1.078 152 L CA 1.696 56.493 54.840 -0.071 0.000 0.780 152 L CB -1.195 40.835 42.059 -0.049 0.000 0.939 152 L HN 0.090 nan 8.230 nan 0.000 0.451 153 A N -0.246 122.531 122.820 -0.072 0.000 1.940 153 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 153 A C 2.401 179.914 177.584 -0.118 0.000 1.176 153 A CA 1.738 53.733 52.037 -0.071 0.000 0.631 153 A CB -0.893 18.081 19.000 -0.043 0.000 0.814 153 A HN 0.364 nan 8.150 nan 0.000 0.446 154 A N -1.398 121.310 122.820 -0.187 0.000 2.125 154 A HA 0.238 4.558 4.320 -0.000 0.000 0.219 154 A C 0.853 178.215 177.584 -0.370 0.000 1.156 154 A CA 0.645 52.461 52.037 -0.369 0.000 0.671 154 A CB -0.439 18.175 19.000 -0.642 0.000 0.794 154 A HN 0.373 nan 8.150 nan 0.000 0.459 155 L N -0.330 120.757 121.223 -0.227 0.000 2.439 155 L HA 0.407 4.747 4.340 -0.000 0.000 0.261 155 L C -2.167 174.639 176.870 -0.107 0.000 1.153 155 L CA -1.931 52.811 54.840 -0.164 0.000 0.808 155 L CB 0.144 42.133 42.059 -0.117 0.000 1.126 155 L HN -0.018 nan 8.230 nan 0.000 0.460 156 P HA 0.182 nan 4.420 nan 0.000 0.278 156 P C -0.019 177.258 177.300 -0.038 0.000 1.238 156 P CA -0.411 62.661 63.100 -0.046 0.000 0.794 156 P CB 0.568 32.249 31.700 -0.031 0.000 0.955 157 D N 1.590 121.973 120.400 -0.029 0.000 2.239 157 D HA -0.214 4.426 4.640 -0.000 0.000 0.202 157 D C 1.892 178.179 176.300 -0.022 0.000 0.993 157 D CA 1.961 55.946 54.000 -0.024 0.000 0.874 157 D CB -0.045 40.744 40.800 -0.018 0.000 0.922 157 D HN 0.626 nan 8.370 nan 0.000 0.464 158 E N 0.838 121.026 120.200 -0.020 0.000 2.006 158 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 158 E C 2.123 178.711 176.600 -0.021 0.000 0.993 158 E CA 1.717 58.106 56.400 -0.017 0.000 0.808 158 E CB -1.313 28.378 29.700 -0.014 0.000 0.764 158 E HN 0.260 nan 8.360 nan 0.000 0.449 159 T N 0.693 115.231 114.554 -0.026 0.000 3.118 159 T HA 0.069 4.419 4.350 -0.000 0.000 0.260 159 T C 1.880 176.560 174.700 -0.034 0.000 1.139 159 T CA 0.726 62.809 62.100 -0.029 0.000 1.085 159 T CB -0.150 68.698 68.868 -0.033 0.000 0.934 159 T HN 0.282 nan 8.240 nan 0.000 0.518 160 L N 1.870 123.071 121.223 -0.036 0.000 1.990 160 L HA -0.151 4.189 4.340 -0.000 0.000 0.213 160 L C 2.222 179.074 176.870 -0.030 0.000 1.072 160 L CA 1.892 56.709 54.840 -0.037 0.000 0.755 160 L CB -0.708 41.330 42.059 -0.035 0.000 0.889 160 L HN 0.074 nan 8.230 nan 0.000 0.432 161 Q N 0.006 119.791 119.800 -0.025 0.000 2.224 161 Q HA -0.011 4.329 4.340 -0.000 0.000 0.203 161 Q C 2.257 178.244 176.000 -0.021 0.000 0.970 161 Q CA 1.338 57.128 55.803 -0.022 0.000 0.865 161 Q CB -0.861 27.866 28.738 -0.018 0.000 0.922 161 Q HN 0.694 nan 8.270 nan 0.000 0.445 162 A N 0.629 123.436 122.820 -0.022 0.000 2.125 162 A HA 0.077 4.397 4.320 -0.000 0.000 0.219 162 A C 2.078 179.649 177.584 -0.023 0.000 1.156 162 A CA 1.531 53.556 52.037 -0.021 0.000 0.671 162 A CB -0.212 18.776 19.000 -0.021 0.000 0.794 162 A HN 0.346 nan 8.150 nan 0.000 0.459 163 A N -0.666 122.139 122.820 -0.026 0.000 1.938 163 A HA 0.408 4.728 4.320 -0.000 0.000 0.207 163 A C 0.978 178.546 177.584 -0.026 0.000 1.292 163 A CA 0.085 52.105 52.037 -0.027 0.000 0.700 163 A CB -0.123 18.858 19.000 -0.033 0.000 0.947 163 A HN 0.327 nan 8.150 nan 0.000 0.476 164 L N 2.137 123.344 121.223 -0.027 0.000 2.384 164 L HA 0.301 4.641 4.340 -0.000 0.000 0.258 164 L C 0.475 177.331 176.870 -0.023 0.000 1.266 164 L CA -0.358 54.467 54.840 -0.026 0.000 1.162 164 L CB -0.291 41.753 42.059 -0.026 0.000 1.375 164 L HN 0.335 nan 8.230 nan 0.000 0.420 165 G N 0.847 109.634 108.800 -0.022 0.000 2.546 165 G HA2 0.437 4.397 3.960 -0.000 0.000 0.320 165 G HA3 0.437 4.397 3.960 -0.000 0.000 0.320 165 G C 0.790 175.679 174.900 -0.018 0.000 0.984 165 G CA 0.669 45.757 45.100 -0.019 0.000 1.183 165 G HN 0.755 nan 8.290 nan 0.000 0.443 166 E N 0.583 120.773 120.200 -0.017 0.000 4.540 166 E HA -0.350 4.000 4.350 -0.000 0.000 0.175 166 E C 0.693 177.283 176.600 -0.017 0.000 1.236 166 E CA 1.986 58.377 56.400 -0.016 0.000 2.396 166 E CB -1.533 28.159 29.700 -0.014 0.000 1.797 166 E HN 1.197 nan 8.360 nan 0.000 0.437 167 Q N -0.259 119.529 119.800 -0.019 0.000 2.320 167 Q HA 0.642 4.982 4.340 -0.000 0.000 0.272 167 Q C -1.348 174.637 176.000 -0.025 0.000 1.023 167 Q CA -0.518 55.273 55.803 -0.021 0.000 0.855 167 Q CB 1.660 30.387 28.738 -0.019 0.000 1.367 167 Q HN 0.659 nan 8.270 nan 0.000 0.406 168 L N 4.953 126.159 121.223 -0.028 0.000 2.331 168 L HA 0.404 4.744 4.340 -0.000 0.000 0.278 168 L C -1.826 175.020 176.870 -0.039 0.000 1.106 168 L CA -1.776 53.043 54.840 -0.035 0.000 0.824 168 L CB 0.535 42.572 42.059 -0.038 0.000 1.142 168 L HN 0.480 nan 8.230 nan 0.000 0.443 169 P HA 0.069 nan 4.420 nan 0.000 0.273 169 P C -0.246 177.016 177.300 -0.062 0.000 1.319 169 P CA -0.236 62.834 63.100 -0.049 0.000 0.885 169 P CB 0.462 32.131 31.700 -0.052 0.000 1.015 170 V N 2.069 121.952 119.914 -0.052 0.000 2.843 170 V HA 0.102 4.222 4.120 -0.000 0.000 0.305 170 V C 0.971 177.026 176.094 -0.064 0.000 1.065 170 V CA 0.176 62.443 62.300 -0.055 0.000 1.116 170 V CB 0.463 32.263 31.823 -0.039 0.000 0.968 170 V HN 0.390 nan 8.190 nan 0.000 0.487 171 L N 2.448 123.626 121.223 -0.074 0.000 2.840 171 L HA 0.294 4.634 4.340 -0.000 0.000 0.249 171 L C 1.100 177.948 176.870 -0.037 0.000 1.119 171 L CA 0.782 55.576 54.840 -0.077 0.000 0.930 171 L CB 0.635 42.600 42.059 -0.157 0.000 1.295 171 L HN 1.100 nan 8.230 nan 0.000 0.534 172 T N -6.149 108.388 114.554 -0.030 0.000 2.606 172 T HA 0.112 4.462 4.350 -0.000 0.000 0.280 172 T C 0.397 175.088 174.700 -0.016 0.000 1.074 172 T CA 0.246 62.337 62.100 -0.014 0.000 1.140 172 T CB 1.520 70.386 68.868 -0.003 0.000 1.631 172 T HN -0.283 nan 8.240 nan 0.000 0.464 173 S N -1.064 114.630 115.700 -0.011 0.000 2.540 173 S HA 0.294 4.764 4.470 -0.000 0.000 0.218 173 S C 0.836 175.428 174.600 -0.013 0.000 0.977 173 S CA 0.053 58.246 58.200 -0.012 0.000 0.918 173 S CB -0.922 62.273 63.200 -0.008 0.000 0.806 173 S HN 0.611 nan 8.310 nan 0.000 0.496 174 N N -0.094 118.598 118.700 -0.015 0.000 2.273 174 N HA 0.157 4.897 4.740 -0.000 0.000 0.192 174 N C -0.280 175.217 175.510 -0.023 0.000 1.132 174 N CA 0.019 53.058 53.050 -0.017 0.000 0.887 174 N CB 0.690 39.167 38.487 -0.017 0.000 1.048 174 N HN 0.140 nan 8.380 nan 0.000 0.490 175 T N 1.528 116.066 114.554 -0.026 0.000 2.939 175 T HA 0.041 4.391 4.350 -0.000 0.000 0.319 175 T C 0.023 174.704 174.700 -0.032 0.000 1.082 175 T CA 0.270 62.349 62.100 -0.035 0.000 1.133 175 T CB 0.618 69.458 68.868 -0.048 0.000 1.019 175 T HN -0.058 nan 8.240 nan 0.000 0.548 176 L N 1.775 122.977 121.223 -0.035 0.000 2.375 176 L HA 0.655 4.995 4.340 -0.000 0.000 0.268 176 L C 1.000 177.852 176.870 -0.030 0.000 1.058 176 L CA -0.009 54.813 54.840 -0.029 0.000 0.803 176 L CB 0.974 43.016 42.059 -0.028 0.000 1.212 176 L HN 0.820 nan 8.230 nan 0.000 0.451 177 G N -0.009 108.776 108.800 -0.025 0.000 2.491 177 G HA2 0.416 4.376 3.960 -0.000 0.000 0.327 177 G HA3 0.416 4.376 3.960 -0.000 0.000 0.327 177 G C 0.501 175.387 174.900 -0.022 0.000 1.189 177 G CA -0.605 44.481 45.100 -0.024 0.000 0.956 177 G HN 0.612 nan 8.290 nan 0.000 0.491 178 R N -0.439 120.048 120.500 -0.022 0.000 2.200 178 R HA -0.043 4.297 4.340 -0.000 0.000 0.234 178 R C 1.490 177.779 176.300 -0.018 0.000 1.127 178 R CA 0.719 56.806 56.100 -0.020 0.000 0.989 178 R CB 0.077 30.365 30.300 -0.020 0.000 0.869 178 R HN 0.199 nan 8.270 nan 0.000 0.459 179 K N -0.397 119.994 120.400 -0.016 0.000 2.444 179 K HA 0.146 4.466 4.320 -0.000 0.000 0.193 179 K C 1.167 177.760 176.600 -0.013 0.000 1.024 179 K CA 0.472 56.752 56.287 -0.013 0.000 1.077 179 K CB 1.047 33.540 32.500 -0.012 0.000 0.833 179 K HN 0.163 nan 8.250 nan 0.000 0.517 180 A N -0.048 122.763 122.820 -0.015 0.000 2.074 180 A HA 0.060 4.380 4.320 -0.000 0.000 0.200 180 A C 1.819 179.393 177.584 -0.016 0.000 1.335 180 A CA -0.090 51.938 52.037 -0.014 0.000 0.922 180 A CB -0.146 18.845 19.000 -0.014 0.000 0.972 180 A HN 0.135 nan 8.150 nan 0.000 0.475 181 L N 0.867 122.079 121.223 -0.019 0.000 1.956 181 L HA -0.173 4.167 4.340 -0.000 0.000 0.216 181 L C 2.279 179.138 176.870 -0.019 0.000 1.073 181 L CA 2.635 57.462 54.840 -0.021 0.000 0.762 181 L CB -0.833 41.211 42.059 -0.025 0.000 0.889 181 L HN 0.171 nan 8.230 nan 0.000 0.433 182 V N 0.312 120.215 119.914 -0.018 0.000 2.317 182 V HA -0.377 3.743 4.120 -0.000 0.000 0.251 182 V C 2.742 178.828 176.094 -0.013 0.000 1.065 182 V CA 2.163 64.453 62.300 -0.017 0.000 1.049 182 V CB -1.036 30.778 31.823 -0.016 0.000 0.651 182 V HN 0.478 nan 8.190 nan 0.000 0.450 183 K N -0.124 120.269 120.400 -0.011 0.000 2.015 183 K HA -0.295 4.025 4.320 -0.000 0.000 0.216 183 K C 2.203 178.799 176.600 -0.007 0.000 1.052 183 K CA 2.119 58.401 56.287 -0.008 0.000 0.937 183 K CB -0.596 31.899 32.500 -0.007 0.000 0.719 183 K HN 0.576 nan 8.250 nan 0.000 0.446 184 Q N 0.469 120.264 119.800 -0.008 0.000 2.030 184 Q HA -0.123 4.217 4.340 -0.000 0.000 0.204 184 Q C 2.439 178.436 176.000 -0.006 0.000 0.986 184 Q CA 1.293 57.092 55.803 -0.006 0.000 0.843 184 Q CB -0.208 28.524 28.738 -0.011 0.000 0.904 184 Q HN 0.271 nan 8.270 nan 0.000 0.420 185 L N 0.159 121.376 121.223 -0.011 0.000 2.043 185 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 185 L C 2.399 179.264 176.870 -0.010 0.000 1.075 185 L CA 1.105 55.937 54.840 -0.013 0.000 0.752 185 L CB -0.334 41.713 42.059 -0.020 0.000 0.891 185 L HN 0.149 nan 8.230 nan 0.000 0.432 186 S N -0.850 114.845 115.700 -0.008 0.000 2.465 186 S HA -0.180 4.290 4.470 -0.000 0.000 0.241 186 S C 1.670 176.270 174.600 0.001 0.000 1.000 186 S CA 1.117 59.315 58.200 -0.005 0.000 0.964 186 S CB -0.203 62.994 63.200 -0.004 0.000 0.763 186 S HN 0.504 nan 8.310 nan 0.000 0.512 187 E N 0.455 120.657 120.200 0.003 0.000 2.216 187 E HA -0.009 4.341 4.350 -0.000 0.000 0.192 187 E C 1.771 178.379 176.600 0.013 0.000 0.973 187 E CA 0.715 57.121 56.400 0.009 0.000 0.851 187 E CB 0.014 29.721 29.700 0.011 0.000 0.804 187 E HN 0.507 nan 8.360 nan 0.000 0.477 188 V N -0.700 119.220 119.914 0.011 0.000 3.592 188 V HA 0.048 4.168 4.120 -0.000 0.000 0.272 188 V C 1.404 177.507 176.094 0.015 0.000 1.228 188 V CA 0.816 63.126 62.300 0.016 0.000 1.173 188 V CB -0.599 31.232 31.823 0.012 0.000 0.873 188 V HN 0.104 nan 8.190 nan 0.000 0.476 189 R N -0.601 119.906 120.500 0.011 0.000 2.365 189 R HA 0.273 4.613 4.340 -0.000 0.000 0.223 189 R C 1.857 178.167 176.300 0.017 0.000 0.899 189 R CA 0.237 56.344 56.100 0.012 0.000 1.059 189 R CB 0.204 30.506 30.300 0.003 0.000 1.086 189 R HN 0.579 nan 8.270 nan 0.000 0.522 190 Q N -0.210 119.601 119.800 0.017 0.000 2.324 190 Q HA 0.023 4.363 4.340 -0.000 0.000 0.207 190 Q C 1.892 177.906 176.000 0.023 0.000 0.928 190 Q CA 1.487 57.301 55.803 0.019 0.000 0.890 190 Q CB 0.519 29.267 28.738 0.016 0.000 1.001 190 Q HN 0.212 nan 8.270 nan 0.000 0.517 191 S N -1.480 114.236 115.700 0.026 0.000 2.506 191 S HA 0.266 4.736 4.470 -0.000 0.000 0.230 191 S C 1.603 176.226 174.600 0.037 0.000 1.066 191 S CA 0.675 58.893 58.200 0.031 0.000 0.940 191 S CB 0.725 63.945 63.200 0.034 0.000 0.818 191 S HN 0.458 nan 8.310 nan 0.000 0.518 192 G N 0.876 109.699 108.800 0.038 0.000 2.213 192 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.236 192 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.236 192 G C 0.160 175.092 174.900 0.054 0.000 0.991 192 G CA 0.114 45.241 45.100 0.046 0.000 0.629 192 G HN 1.613 nan 8.290 nan 0.000 0.517 193 V N -1.138 118.811 119.914 0.058 0.000 2.435 193 V HA 0.945 5.065 4.120 -0.000 0.000 0.290 193 V C 0.382 176.523 176.094 0.078 0.000 1.030 193 V CA -0.363 61.983 62.300 0.077 0.000 0.881 193 V CB 1.268 33.145 31.823 0.090 0.000 0.983 193 V HN 1.657 nan 8.190 nan 0.000 0.445 194 A N 3.647 126.512 122.820 0.075 0.000 2.294 194 A HA 0.910 5.230 4.320 -0.000 0.000 0.330 194 A C 0.102 177.713 177.584 0.046 0.000 1.133 194 A CA -0.299 51.766 52.037 0.047 0.000 0.836 194 A CB 1.680 20.692 19.000 0.019 0.000 1.190 194 A HN 1.562 nan 8.150 nan 0.000 0.492 195 S N -0.040 115.650 115.700 -0.017 0.000 2.575 195 S HA 0.531 5.001 4.470 -0.000 0.000 0.278 195 S C -1.828 172.664 174.600 -0.179 0.000 1.139 195 S CA -0.470 57.647 58.200 -0.138 0.000 0.954 195 S CB 1.224 64.391 63.200 -0.054 0.000 1.054 195 S HN 0.949 nan 8.310 nan 0.000 0.483 196 D N 3.869 124.102 120.400 -0.277 0.000 2.481 196 D HA 0.419 5.059 4.640 -0.000 0.000 0.246 196 D C -0.845 175.310 176.300 -0.242 0.000 1.109 196 D CA -0.579 53.303 54.000 -0.197 0.000 0.845 196 D CB 0.807 41.529 40.800 -0.131 0.000 1.160 196 D HN 0.453 nan 8.370 nan 0.000 0.534 197 L N 3.375 124.500 121.223 -0.164 0.000 2.321 197 L HA 0.336 4.676 4.340 -0.000 0.000 0.272 197 L C -0.219 176.604 176.870 -0.078 0.000 1.050 197 L CA -0.639 54.122 54.840 -0.133 0.000 0.893 197 L CB 0.257 42.263 42.059 -0.089 0.000 1.272 197 L HN 0.568 nan 8.230 nan 0.000 0.435 198 D N -0.255 120.100 120.400 -0.075 0.000 3.059 198 D HA -0.231 4.409 4.640 -0.000 0.000 0.213 198 D C 0.634 176.925 176.300 -0.016 0.000 1.144 198 D CA 1.292 55.269 54.000 -0.039 0.000 0.975 198 D CB -0.516 40.267 40.800 -0.027 0.000 1.125 198 D HN 0.666 nan 8.370 nan 0.000 0.412 199 E N -0.852 119.333 120.200 -0.024 0.000 2.505 199 E HA -0.043 4.307 4.350 -0.000 0.000 0.197 199 E C 1.247 177.863 176.600 0.027 0.000 1.111 199 E CA 0.621 57.013 56.400 -0.014 0.000 0.887 199 E CB 0.054 29.733 29.700 -0.035 0.000 0.913 199 E HN 0.685 nan 8.360 nan 0.000 0.517 200 H N -1.052 117.973 119.070 -0.076 0.000 1.933 200 H HA 0.326 4.882 4.556 0.000 0.000 0.174 200 H C -0.042 175.248 175.328 -0.063 0.000 0.918 200 H CA -0.086 55.918 56.048 -0.073 0.000 0.958 200 H CB 1.037 30.742 29.762 -0.096 0.000 1.056 200 H HN -0.078 nan 8.280 nan 0.000 0.350 201 I N 2.420 123.073 120.570 0.138 0.000 2.569 201 I HA 0.149 4.319 4.170 -0.000 0.000 0.290 201 I C -1.004 175.113 176.117 0.000 0.000 1.088 201 I CA -0.908 60.423 61.300 0.052 0.000 1.047 201 I CB 2.347 40.319 38.000 -0.046 0.000 1.237 201 I HN 0.255 nan 8.210 nan 0.000 0.421 202 D N 5.491 125.895 120.400 0.007 0.000 2.472 202 D HA 0.129 4.769 4.640 -0.000 0.000 0.248 202 D C 1.057 177.350 176.300 -0.011 0.000 1.174 202 D CA 1.325 55.323 54.000 -0.003 0.000 0.883 202 D CB 1.098 41.899 40.800 0.002 0.000 1.149 202 D HN 1.007 nan 8.370 nan 0.000 0.488 203 G N 1.707 110.499 108.800 -0.015 0.000 2.175 203 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.244 203 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.244 203 G C 0.173 175.059 174.900 -0.023 0.000 0.982 203 G CA -0.081 45.011 45.100 -0.013 0.000 0.641 203 G HN 0.499 nan 8.290 nan 0.000 0.527 204 V N 1.412 121.300 119.914 -0.044 0.000 2.407 204 V HA 0.730 4.850 4.120 -0.000 0.000 0.291 204 V C 0.204 176.237 176.094 -0.101 0.000 1.018 204 V CA -0.284 61.974 62.300 -0.071 0.000 0.842 204 V CB 1.638 33.397 31.823 -0.107 0.000 0.996 204 V HN 0.334 nan 8.190 nan 0.000 0.426 205 S N 2.781 118.416 115.700 -0.108 0.000 2.664 205 S HA 0.869 5.339 4.470 -0.000 0.000 0.304 205 S C -0.144 174.309 174.600 -0.246 0.000 1.099 205 S CA -0.647 57.431 58.200 -0.203 0.000 1.003 205 S CB 1.948 65.018 63.200 -0.217 0.000 1.092 205 S HN 1.012 nan 8.310 nan 0.000 0.525 206 S N 0.833 116.287 115.700 -0.410 0.000 2.536 206 S HA 0.756 5.226 4.470 -0.000 0.000 0.271 206 S C -1.703 172.605 174.600 -0.486 0.000 1.134 206 S CA -0.784 57.231 58.200 -0.309 0.000 0.897 206 S CB 0.506 63.590 63.200 -0.193 0.000 1.094 206 S HN 0.412 nan 8.310 nan 0.000 0.473 207 F N 1.772 121.717 119.950 -0.010 0.000 2.449 207 F HA 0.818 5.344 4.527 -0.000 0.000 0.342 207 F C 0.584 176.391 175.800 0.011 0.000 1.127 207 F CA -0.380 57.621 58.000 0.003 0.000 0.975 207 F CB 2.033 41.038 39.000 0.008 0.000 1.146 207 F HN 1.000 nan 8.300 nan 0.000 0.444 208 A N 1.874 124.785 122.820 0.151 0.000 2.387 208 A HA 0.919 5.239 4.320 -0.000 0.000 0.303 208 A C -0.596 177.052 177.584 0.106 0.000 1.145 208 A CA -0.682 51.419 52.037 0.108 0.000 0.801 208 A CB 2.047 21.084 19.000 0.061 0.000 1.342 208 A HN 0.633 nan 8.150 nan 0.000 0.440 209 T N -0.659 113.952 114.554 0.095 0.000 2.821 209 T HA 0.496 4.846 4.350 -0.000 0.000 0.306 209 T C -1.757 173.000 174.700 0.096 0.000 1.313 209 T CA -0.374 61.779 62.100 0.088 0.000 1.012 209 T CB 1.027 69.946 68.868 0.084 0.000 1.298 209 T HN 1.126 nan 8.240 nan 0.000 0.502 210 L N 3.264 124.548 121.223 0.102 0.000 2.350 210 L HA 0.675 5.015 4.340 -0.000 0.000 0.275 210 L C -1.170 175.785 176.870 0.142 0.000 1.099 210 L CA -0.289 54.634 54.840 0.137 0.000 0.808 210 L CB 0.552 42.702 42.059 0.151 0.000 1.149 210 L HN 0.590 nan 8.230 nan 0.000 0.442 211 L N 4.619 125.945 121.223 0.171 0.000 2.318 211 L HA 0.332 4.672 4.340 -0.000 0.000 0.277 211 L C -0.740 176.195 176.870 0.107 0.000 1.008 211 L CA -0.587 54.324 54.840 0.117 0.000 0.846 211 L CB 1.302 43.414 42.059 0.088 0.000 1.220 211 L HN 0.562 nan 8.230 nan 0.000 0.423 212 D N 2.950 123.366 120.400 0.026 0.000 2.522 212 D HA 0.116 4.756 4.640 -0.000 0.000 0.218 212 D C 0.537 176.740 176.300 -0.161 0.000 1.149 212 D CA -0.119 53.781 54.000 -0.167 0.000 0.981 212 D CB 0.641 41.378 40.800 -0.105 0.000 1.041 212 D HN 0.543 nan 8.370 nan 0.000 0.518 213 T N 0.011 114.477 114.554 -0.147 0.000 2.824 213 T HA 0.150 4.500 4.350 -0.000 0.000 0.277 213 T C 1.492 176.139 174.700 -0.089 0.000 0.975 213 T CA -0.550 61.484 62.100 -0.109 0.000 0.966 213 T CB 0.511 69.259 68.868 -0.200 0.000 1.054 213 T HN 0.368 nan 8.240 nan 0.000 0.533 214 Y N 0.039 120.283 120.300 -0.092 0.000 2.571 214 Y HA 0.241 4.791 4.550 -0.000 0.000 0.294 214 Y C 1.474 177.349 175.900 -0.042 0.000 1.141 214 Y CA 0.099 58.156 58.100 -0.072 0.000 1.308 214 Y CB -0.461 37.964 38.460 -0.059 0.000 1.002 214 Y HN 0.307 nan 8.280 nan 0.000 0.551 215 L N 0.373 121.304 121.223 -0.487 0.000 2.307 215 L HA 0.429 4.769 4.340 -0.000 0.000 0.211 215 L C 1.315 178.175 176.870 -0.017 0.000 1.099 215 L CA 0.787 55.449 54.840 -0.298 0.000 0.816 215 L CB -0.514 41.312 42.059 -0.388 0.000 0.952 215 L HN 0.630 nan 8.230 nan 0.000 0.455 216 G N -2.893 105.910 108.800 0.005 0.000 2.491 216 G HA2 0.034 3.994 3.960 -0.000 0.000 0.183 216 G HA3 0.034 3.994 3.960 -0.000 0.000 0.183 216 G C -1.683 173.154 174.900 -0.105 0.000 1.221 216 G CA -0.711 44.377 45.100 -0.020 0.000 0.996 216 G HN -0.171 nan 8.290 nan 0.000 0.474 217 Y N 0.118 120.437 120.300 0.031 0.000 2.377 217 Y HA 0.791 5.341 4.550 -0.000 0.000 0.339 217 Y C -0.294 175.565 175.900 -0.069 0.000 1.011 217 Y CA -0.346 57.782 58.100 0.047 0.000 1.093 217 Y CB 1.951 40.398 38.460 -0.023 0.000 1.201 217 Y HN 0.542 nan 8.280 nan 0.000 0.455 218 Y N -0.188 120.193 120.300 0.135 0.000 2.609 218 Y HA 0.534 5.084 4.550 -0.000 0.000 0.342 218 Y C -0.439 175.513 175.900 0.088 0.000 1.058 218 Y CA -1.347 56.806 58.100 0.088 0.000 1.055 218 Y CB 2.301 40.783 38.460 0.037 0.000 1.292 218 Y HN 0.475 nan 8.280 nan 0.000 0.476 219 S N 1.907 117.742 115.700 0.225 0.000 2.449 219 S HA 0.636 5.106 4.470 -0.000 0.000 0.310 219 S C -1.511 173.175 174.600 0.143 0.000 1.096 219 S CA -0.654 57.635 58.200 0.149 0.000 1.095 219 S CB 1.355 64.614 63.200 0.098 0.000 1.007 219 S HN 0.540 nan 8.310 nan 0.000 0.474 220 L N 3.429 124.725 121.223 0.121 0.000 2.298 220 L HA 0.889 5.229 4.340 -0.000 0.000 0.284 220 L C -0.420 176.512 176.870 0.103 0.000 1.013 220 L CA -0.439 54.466 54.840 0.109 0.000 0.824 220 L CB 0.778 42.895 42.059 0.096 0.000 1.221 220 L HN 1.039 nan 8.230 nan 0.000 0.418 221 A N 5.372 128.255 122.820 0.105 0.000 2.498 221 A HA 0.836 5.156 4.320 -0.000 0.000 0.298 221 A C -1.317 176.337 177.584 0.116 0.000 1.075 221 A CA -0.627 51.472 52.037 0.103 0.000 0.714 221 A CB 1.316 20.354 19.000 0.064 0.000 1.299 221 A HN 0.501 nan 8.150 nan 0.000 0.407 222 I N 1.991 122.645 120.570 0.140 0.000 2.321 222 I HA 0.357 4.527 4.170 -0.000 0.000 0.291 222 I C -0.363 175.831 176.117 0.129 0.000 0.998 222 I CA -0.535 60.854 61.300 0.148 0.000 1.227 222 I CB 0.908 39.013 38.000 0.175 0.000 1.368 222 I HN 0.262 nan 8.210 nan 0.000 0.466 223 V N 8.180 128.149 119.914 0.093 0.000 2.398 223 V HA 0.607 4.727 4.120 -0.000 0.000 0.286 223 V C 0.229 176.358 176.094 0.059 0.000 1.026 223 V CA -0.475 61.836 62.300 0.019 0.000 0.868 223 V CB 1.431 33.226 31.823 -0.046 0.000 0.982 223 V HN 0.834 nan 8.190 nan 0.000 0.443 224 M N 4.646 124.269 119.600 0.038 0.000 2.721 224 M HA 0.719 5.199 4.480 -0.000 0.000 0.271 224 M C -3.220 173.098 176.300 0.031 0.000 1.259 224 M CA -2.133 53.204 55.300 0.061 0.000 0.835 224 M CB 2.557 35.226 32.600 0.115 0.000 1.689 224 M HN 0.185 nan 8.290 nan 0.000 0.470 225 P HA 0.297 nan 4.420 nan 0.000 0.276 225 P C 0.001 177.322 177.300 0.035 0.000 1.264 225 P CA -0.057 63.057 63.100 0.023 0.000 0.769 225 P CB 1.066 32.781 31.700 0.025 0.000 0.840 226 S N 1.582 117.294 115.700 0.020 0.000 2.423 226 S HA -0.236 4.234 4.470 -0.000 0.000 0.238 226 S C 1.975 176.601 174.600 0.043 0.000 1.028 226 S CA 1.793 60.012 58.200 0.031 0.000 1.000 226 S CB -0.666 62.538 63.200 0.006 0.000 0.797 226 S HN 0.615 nan 8.310 nan 0.000 0.487 227 S N 1.834 117.552 115.700 0.031 0.000 2.427 227 S HA -0.250 4.220 4.470 -0.000 0.000 0.231 227 S C 1.927 176.550 174.600 0.038 0.000 1.045 227 S CA 1.673 59.891 58.200 0.029 0.000 1.154 227 S CB -0.314 62.900 63.200 0.022 0.000 1.093 227 S HN 0.466 nan 8.310 nan 0.000 0.422 228 R N 0.745 121.269 120.500 0.041 0.000 2.152 228 R HA 0.078 4.418 4.340 -0.000 0.000 0.232 228 R C 2.540 178.877 176.300 0.062 0.000 1.117 228 R CA 1.175 57.301 56.100 0.042 0.000 0.981 228 R CB -0.641 29.683 30.300 0.040 0.000 0.870 228 R HN 0.547 nan 8.270 nan 0.000 0.451 229 A N -0.279 122.602 122.820 0.101 0.000 1.933 229 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 229 A C 2.122 179.791 177.584 0.142 0.000 1.175 229 A CA 1.855 54.001 52.037 0.183 0.000 0.628 229 A CB -0.698 18.456 19.000 0.257 0.000 0.814 229 A HN 0.339 nan 8.150 nan 0.000 0.444 230 S N -0.643 115.113 115.700 0.093 0.000 2.353 230 S HA -0.208 4.262 4.470 -0.000 0.000 0.222 230 S C 2.265 176.890 174.600 0.041 0.000 1.035 230 S CA 1.843 60.084 58.200 0.067 0.000 1.025 230 S CB -0.314 62.913 63.200 0.045 0.000 0.902 230 S HN 0.512 nan 8.310 nan 0.000 0.440 231 K N 0.954 121.371 120.400 0.028 0.000 1.965 231 K HA -0.012 4.308 4.320 -0.000 0.000 0.214 231 K C 0.486 177.081 176.600 -0.008 0.000 1.046 231 K CA 1.261 57.554 56.287 0.010 0.000 0.944 231 K CB -0.710 31.795 32.500 0.008 0.000 0.726 231 K HN 0.528 nan 8.250 nan 0.000 0.441 232 Q N 0.538 120.327 119.800 -0.018 0.000 2.307 232 Q HA 0.114 4.454 4.340 -0.000 0.000 0.259 232 Q C 0.076 176.000 176.000 -0.128 0.000 0.998 232 Q CA -0.350 55.417 55.803 -0.059 0.000 0.923 232 Q CB 1.418 30.124 28.738 -0.054 0.000 1.196 232 Q HN 0.191 nan 8.270 nan 0.000 0.416 233 S N 1.782 117.390 115.700 -0.153 0.000 3.952 233 S HA -0.086 4.384 4.470 -0.000 0.000 0.211 233 S C 1.077 175.539 174.600 -0.229 0.000 1.098 233 S CA 0.264 58.309 58.200 -0.258 0.000 0.954 233 S CB -0.284 62.842 63.200 -0.123 0.000 1.222 233 S HN 0.857 nan 8.310 nan 0.000 0.585 234 D N 2.340 122.666 120.400 -0.123 0.000 2.177 234 D HA -0.211 4.429 4.640 -0.000 0.000 0.189 234 D C 1.808 178.050 176.300 -0.096 0.000 1.002 234 D CA 2.337 56.284 54.000 -0.088 0.000 0.845 234 D CB -0.426 40.344 40.800 -0.051 0.000 0.960 234 D HN 0.254 nan 8.370 nan 0.000 0.447 235 L N 0.188 121.358 121.223 -0.088 0.000 2.013 235 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 235 L C 2.588 179.401 176.870 -0.095 0.000 1.073 235 L CA 1.565 56.361 54.840 -0.074 0.000 0.753 235 L CB -1.390 40.633 42.059 -0.060 0.000 0.890 235 L HN 0.259 nan 8.230 nan 0.000 0.432 236 I N -0.376 120.102 120.570 -0.154 0.000 2.226 236 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 236 I C 2.630 178.648 176.117 -0.164 0.000 1.100 236 I CA 1.347 62.538 61.300 -0.182 0.000 1.374 236 I CB -0.524 37.281 38.000 -0.325 0.000 1.057 236 I HN 0.300 nan 8.210 nan 0.000 0.413 237 K N 1.259 121.540 120.400 -0.199 0.000 2.002 237 K HA -0.178 4.142 4.320 -0.000 0.000 0.209 237 K C 2.148 178.721 176.600 -0.046 0.000 1.048 237 K CA 1.396 57.617 56.287 -0.110 0.000 0.930 237 K CB -0.246 32.198 32.500 -0.094 0.000 0.714 237 K HN 0.281 nan 8.250 nan 0.000 0.438 238 K N 0.641 121.013 120.400 -0.046 0.000 2.103 238 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 238 K C 2.263 178.857 176.600 -0.011 0.000 1.048 238 K CA 1.257 57.531 56.287 -0.021 0.000 0.930 238 K CB -0.210 32.277 32.500 -0.023 0.000 0.716 238 K HN 0.162 nan 8.250 nan 0.000 0.444 239 A N 1.795 124.602 122.820 -0.022 0.000 1.828 239 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 239 A C 2.173 179.766 177.584 0.014 0.000 1.203 239 A CA 1.331 53.364 52.037 -0.007 0.000 0.614 239 A CB -0.949 18.041 19.000 -0.017 0.000 0.844 239 A HN 0.187 nan 8.150 nan 0.000 0.445 240 L N -0.612 120.620 121.223 0.015 0.000 2.103 240 L HA -0.274 4.066 4.340 -0.000 0.000 0.215 240 L C 2.633 179.532 176.870 0.048 0.000 1.080 240 L CA 1.460 56.325 54.840 0.042 0.000 0.764 240 L CB -0.418 41.673 42.059 0.053 0.000 0.890 240 L HN 0.439 nan 8.230 nan 0.000 0.435 241 L N -1.371 119.873 121.223 0.035 0.000 2.056 241 L HA -0.224 4.116 4.340 -0.000 0.000 0.207 241 L C 2.704 179.598 176.870 0.041 0.000 1.078 241 L CA 1.107 55.970 54.840 0.038 0.000 0.749 241 L CB -0.504 41.572 42.059 0.028 0.000 0.901 241 L HN 0.400 nan 8.230 nan 0.000 0.433 242 Q N -0.037 119.784 119.800 0.035 0.000 2.020 242 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 242 Q C 2.313 178.351 176.000 0.063 0.000 0.982 242 Q CA 2.198 58.025 55.803 0.040 0.000 0.838 242 Q CB -0.016 28.738 28.738 0.027 0.000 0.899 242 Q HN 0.425 nan 8.270 nan 0.000 0.423 243 S N 1.100 116.843 115.700 0.072 0.000 2.380 243 S HA -0.225 4.245 4.470 -0.000 0.000 0.229 243 S C 1.805 176.474 174.600 0.114 0.000 1.043 243 S CA 1.797 60.066 58.200 0.116 0.000 1.038 243 S CB -0.326 62.940 63.200 0.110 0.000 0.872 243 S HN 0.375 nan 8.310 nan 0.000 0.456 244 K N 1.207 121.654 120.400 0.078 0.000 2.009 244 K HA -0.186 4.134 4.320 -0.000 0.000 0.210 244 K C 2.194 178.826 176.600 0.054 0.000 1.049 244 K CA 1.755 58.079 56.287 0.061 0.000 0.929 244 K CB -0.406 32.129 32.500 0.059 0.000 0.714 244 K HN 0.410 nan 8.250 nan 0.000 0.440 245 L N 0.466 121.723 121.223 0.057 0.000 2.083 245 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 245 L C 1.702 178.611 176.870 0.065 0.000 1.083 245 L CA 1.590 56.460 54.840 0.051 0.000 0.752 245 L CB -1.094 40.992 42.059 0.045 0.000 0.899 245 L HN 0.054 nan 8.230 nan 0.000 0.433 246 N N 1.362 120.124 118.700 0.103 0.000 2.013 246 N HA -0.145 4.595 4.740 -0.000 0.000 0.195 246 N C 2.014 177.613 175.510 0.147 0.000 1.051 246 N CA 2.255 55.409 53.050 0.172 0.000 0.851 246 N CB -0.568 38.082 38.487 0.272 0.000 1.044 246 N HN 0.439 nan 8.380 nan 0.000 0.422 247 I N 1.588 122.194 120.570 0.059 0.000 2.194 247 I HA -0.251 3.919 4.170 -0.000 0.000 0.246 247 I C 2.095 178.137 176.117 -0.125 0.000 1.093 247 I CA 1.258 62.407 61.300 -0.252 0.000 1.355 247 I CB -0.382 37.451 38.000 -0.279 0.000 1.046 247 I HN 0.182 nan 8.210 nan 0.000 0.413 248 E N 0.681 120.858 120.200 -0.038 0.000 2.085 248 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 248 E C 2.260 178.858 176.600 -0.003 0.000 0.994 248 E CA 1.091 57.482 56.400 -0.015 0.000 0.801 248 E CB -0.350 29.356 29.700 0.010 0.000 0.743 248 E HN 0.459 nan 8.360 nan 0.000 0.453 249 R N 0.457 120.965 120.500 0.013 0.000 2.115 249 R HA -0.065 4.275 4.340 -0.000 0.000 0.230 249 R C 1.995 178.303 176.300 0.014 0.000 1.111 249 R CA 1.213 57.325 56.100 0.020 0.000 0.976 249 R CB -0.022 30.302 30.300 0.039 0.000 0.870 249 R HN 0.091 nan 8.270 nan 0.000 0.445 250 A N -0.102 122.722 122.820 0.007 0.000 2.030 250 A HA 0.102 4.422 4.320 -0.000 0.000 0.215 250 A C 1.677 179.254 177.584 -0.012 0.000 1.164 250 A CA 0.657 52.697 52.037 0.005 0.000 0.697 250 A CB 0.263 19.288 19.000 0.041 0.000 0.827 250 A HN 0.428 nan 8.150 nan 0.000 0.457 251 I N -2.306 118.257 120.570 -0.011 0.000 4.665 251 I HA 0.201 4.371 4.170 -0.000 0.000 0.360 251 I C 1.028 177.235 176.117 0.151 0.000 1.259 251 I CA -0.019 61.335 61.300 0.090 0.000 1.301 251 I CB 0.291 38.296 38.000 0.008 0.000 1.746 251 I HN 0.288 nan 8.210 nan 0.000 0.598 252 G N 1.590 110.418 108.800 0.048 0.000 2.611 252 G HA2 0.380 4.340 3.960 -0.000 0.000 0.273 252 G HA3 0.380 4.340 3.960 -0.000 0.000 0.273 252 G C -0.198 174.738 174.900 0.060 0.000 1.305 252 G CA -0.234 44.887 45.100 0.036 0.000 1.010 252 G HN 0.333 nan 8.290 nan 0.000 0.509 253 R N 0.000 120.515 120.500 0.024 0.000 2.786 253 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 253 R CA 0.000 56.109 56.100 0.015 0.000 0.921 253 R CB 0.000 30.319 30.300 0.031 0.000 0.687 253 R HN 0.000 nan 8.270 nan 0.000 0.535