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 1s07_1_B DATA FIRST_RESID 1 DATA SEQUENCE MTTDDLAFDQ RHILHPYTSM TSPLPVYPVV SAEGCELILS DGRRLVDGMS DATA SEQUENCE SWWAAIHGYN HPQLNAAMKS QIDAMSHVMF GGITHAPAIE LCRKLVAMTP DATA SEQUENCE QPLECVFLAD SGSVAVEVAM KMALQYWQAK GEARQRFLTF RNGYHGDTFG DATA SEQUENCE AMSVCDPDNS MHSLWKGYLP ENLFAPAPQS RMDGEWDERD MVGFARLMAA DATA SEQUENCE HRHEIAAVII EPIVQGAGGM RMYHPEWLKR IRKICDREGI LLIADEIATG DATA SEQUENCE FGATGKLFAC EHAEIAPDIL CLGKALTGGT MTLSATLTTR EVAETISNGE DATA SEQUENCE AGCFMHGPTF MGNPLACAAA NASLAILESG DWQQQVADIE VQLREQLAPA DATA SEQUENCE RDAEMVADVR VLGAIGVVET THPVNMAALQ KFFVEQGVWI RPFGKLIYLM DATA SEQUENCE PPYIILPQQL QRLTAAVNRA VQDETFFC VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.293 176.300 -0.012 0.000 1.140 1 M CA 0.000 55.290 55.300 -0.017 0.000 0.988 1 M CB 0.000 32.591 32.600 -0.016 0.000 1.302 2 T N -1.017 113.532 114.554 -0.009 0.000 2.849 2 T HA 0.427 4.780 4.350 0.005 0.000 0.276 2 T C 1.093 175.796 174.700 0.005 0.000 0.971 2 T CA 0.284 62.382 62.100 -0.003 0.000 0.949 2 T CB 1.199 70.064 68.868 -0.003 0.000 1.093 2 T HN 0.808 nan 8.240 nan 0.000 0.545 3 T N -2.502 112.056 114.554 0.007 0.000 3.055 3 T HA -0.024 4.329 4.350 0.005 0.000 0.265 3 T C 1.377 176.095 174.700 0.029 0.000 1.111 3 T CA 1.360 63.467 62.100 0.011 0.000 1.118 3 T CB -0.608 68.263 68.868 0.004 0.000 0.909 3 T HN 0.712 nan 8.240 nan 0.000 0.501 4 D N 0.921 121.342 120.400 0.036 0.000 2.194 4 D HA -0.060 4.583 4.640 0.005 0.000 0.204 4 D C 1.679 178.040 176.300 0.101 0.000 0.964 4 D CA 0.772 54.809 54.000 0.062 0.000 0.846 4 D CB -0.146 40.681 40.800 0.045 0.000 0.962 4 D HN 0.273 nan 8.370 nan 0.000 0.490 5 D N 0.171 120.611 120.400 0.068 0.000 2.084 5 D HA -0.123 4.520 4.640 0.005 0.000 0.194 5 D C 2.268 178.650 176.300 0.137 0.000 0.990 5 D CA 0.663 54.715 54.000 0.086 0.000 0.826 5 D CB -0.319 40.499 40.800 0.031 0.000 0.971 5 D HN 0.306 nan 8.370 nan 0.000 0.453 6 L N 0.663 121.933 121.223 0.078 0.000 2.127 6 L HA -0.173 4.170 4.340 0.005 0.000 0.211 6 L C 2.477 179.391 176.870 0.073 0.000 1.089 6 L CA 1.129 56.004 54.840 0.058 0.000 0.757 6 L CB -0.462 41.602 42.059 0.008 0.000 0.899 6 L HN -0.008 nan 8.230 nan 0.000 0.434 7 A N -0.498 122.376 122.820 0.090 0.000 1.929 7 A HA -0.207 4.116 4.320 0.005 0.000 0.216 7 A C 2.130 179.792 177.584 0.130 0.000 1.176 7 A CA 0.910 52.996 52.037 0.081 0.000 0.628 7 A CB -0.619 18.427 19.000 0.077 0.000 0.816 7 A HN 0.371 nan 8.150 nan 0.000 0.444 8 F N 1.127 121.123 119.950 0.077 0.000 2.146 8 F HA -0.168 4.361 4.527 0.002 0.000 0.298 8 F C 1.883 177.782 175.800 0.164 0.000 1.096 8 F CA 2.048 60.138 58.000 0.149 0.000 1.275 8 F CB -0.271 38.781 39.000 0.086 0.000 1.008 8 F HN 0.418 nan 8.300 nan 0.000 0.480 9 D N -0.522 120.040 120.400 0.270 0.000 2.104 9 D HA -0.281 4.362 4.640 0.005 0.000 0.194 9 D C 2.235 178.577 176.300 0.069 0.000 0.994 9 D CA 1.664 55.784 54.000 0.200 0.000 0.830 9 D CB -0.298 40.624 40.800 0.204 0.000 0.959 9 D HN 0.472 nan 8.370 nan 0.000 0.452 10 Q N -0.656 119.155 119.800 0.018 0.000 2.079 10 Q HA -0.176 4.167 4.340 0.005 0.000 0.200 10 Q C 2.204 178.135 176.000 -0.115 0.000 0.974 10 Q CA 1.030 56.813 55.803 -0.033 0.000 0.840 10 Q CB 0.028 28.742 28.738 -0.040 0.000 0.898 10 Q HN 0.061 nan 8.270 nan 0.000 0.430 11 R N -0.932 119.444 120.500 -0.207 0.000 2.119 11 R HA -0.063 4.280 4.340 0.005 0.000 0.222 11 R C 1.318 177.199 176.300 -0.698 0.000 1.088 11 R CA 1.642 57.485 56.100 -0.429 0.000 0.984 11 R CB 0.107 30.128 30.300 -0.466 0.000 0.884 11 R HN 0.400 nan 8.270 nan 0.000 0.447 12 H N -1.704 117.122 119.070 -0.407 0.000 3.058 12 H HA 0.281 4.840 4.556 0.006 0.000 0.258 12 H C -0.102 175.120 175.328 -0.177 0.000 1.015 12 H CA -0.012 55.802 56.048 -0.390 0.000 1.210 12 H CB 1.056 30.331 29.762 -0.812 0.000 1.481 12 H HN 0.060 nan 8.280 nan 0.000 0.492 13 I N 2.742 123.308 120.570 -0.006 0.000 2.328 13 I HA 0.099 4.272 4.170 0.005 0.000 0.287 13 I C -0.410 175.735 176.117 0.047 0.000 1.012 13 I CA -0.731 60.592 61.300 0.037 0.000 1.195 13 I CB 1.386 39.437 38.000 0.083 0.000 1.350 13 I HN -0.190 nan 8.210 nan 0.000 0.464 14 L N 7.090 128.310 121.223 -0.005 0.000 2.461 14 L HA 0.183 4.526 4.340 0.005 0.000 0.272 14 L C 0.455 177.289 176.870 -0.060 0.000 1.197 14 L CA 0.756 55.606 54.840 0.017 0.000 0.836 14 L CB -0.094 41.959 42.059 -0.010 0.000 1.105 14 L HN 0.479 nan 8.230 nan 0.000 0.477 15 H N 1.202 120.279 119.070 0.010 0.000 2.855 15 H HA 0.401 4.961 4.556 0.005 0.000 0.363 15 H C -2.142 173.189 175.328 0.004 0.000 1.185 15 H CA -1.893 54.170 56.048 0.025 0.000 1.174 15 H CB 1.507 31.300 29.762 0.053 0.000 1.857 15 H HN 0.361 nan 8.280 nan 0.000 0.565 16 P HA -0.050 nan 4.420 nan 0.000 0.263 16 P C -0.847 176.522 177.300 0.116 0.000 1.195 16 P CA 0.349 63.438 63.100 -0.017 0.000 0.762 16 P CB -0.372 31.450 31.700 0.203 0.000 0.799 17 Y N -0.248 120.126 120.300 0.125 0.000 2.980 17 Y HA -0.200 4.353 4.550 0.006 0.000 0.199 17 Y C 0.712 176.674 175.900 0.104 0.000 1.319 17 Y CA 1.002 59.168 58.100 0.109 0.000 0.877 17 Y CB -2.552 35.967 38.460 0.099 0.000 1.259 17 Y HN 0.390 nan 8.280 nan 0.000 0.437 18 T N -0.502 114.161 114.554 0.182 0.000 2.942 18 T HA 0.500 4.853 4.350 0.005 0.000 0.327 18 T C -0.490 174.269 174.700 0.098 0.000 1.360 18 T CA -0.180 62.007 62.100 0.144 0.000 1.055 18 T CB 1.519 70.475 68.868 0.147 0.000 1.261 18 T HN 0.374 nan 8.240 nan 0.000 0.485 19 S N 3.123 118.867 115.700 0.074 0.000 2.572 19 S HA 0.262 4.735 4.470 0.005 0.000 0.279 19 S C 1.261 175.880 174.600 0.032 0.000 1.341 19 S CA -0.470 57.759 58.200 0.048 0.000 1.043 19 S CB 0.319 63.539 63.200 0.034 0.000 0.887 19 S HN 0.668 nan 8.310 nan 0.000 0.516 20 M N 3.210 122.820 119.600 0.018 0.000 2.441 20 M HA 0.062 4.545 4.480 0.005 0.000 0.244 20 M C 1.666 177.951 176.300 -0.024 0.000 1.122 20 M CA 0.665 55.963 55.300 -0.004 0.000 1.041 20 M CB -0.956 31.637 32.600 -0.012 0.000 1.438 20 M HN 0.887 nan 8.290 nan 0.000 0.484 21 T N -4.179 110.367 114.554 -0.013 0.000 3.014 21 T HA 0.124 4.477 4.350 0.005 0.000 0.250 21 T C 1.067 175.758 174.700 -0.016 0.000 1.060 21 T CA 0.331 62.419 62.100 -0.020 0.000 1.040 21 T CB 0.116 68.975 68.868 -0.014 0.000 0.971 21 T HN 0.187 nan 8.240 nan 0.000 0.497 22 S N 2.456 118.152 115.700 -0.006 0.000 2.539 22 S HA 0.426 4.899 4.470 0.005 0.000 0.185 22 S C -3.003 171.597 174.600 -0.000 0.000 1.181 22 S CA -1.028 57.170 58.200 -0.004 0.000 1.216 22 S CB 0.053 63.254 63.200 0.003 0.000 1.476 22 S HN 0.156 nan 8.310 nan 0.000 0.395 23 P HA 0.347 nan 4.420 nan 0.000 0.274 23 P C -0.472 176.815 177.300 -0.021 0.000 1.231 23 P CA -0.441 62.653 63.100 -0.010 0.000 0.790 23 P CB 0.638 32.323 31.700 -0.024 0.000 0.951 24 L N 2.477 123.688 121.223 -0.020 0.000 2.352 24 L HA 0.456 4.799 4.340 0.005 0.000 0.269 24 L C -1.889 174.946 176.870 -0.058 0.000 1.034 24 L CA -2.286 52.542 54.840 -0.021 0.000 0.806 24 L CB 0.388 42.453 42.059 0.011 0.000 1.244 24 L HN 0.235 nan 8.230 nan 0.000 0.447 25 P HA 0.023 nan 4.420 nan 0.000 0.267 25 P C -1.117 176.081 177.300 -0.169 0.000 1.195 25 P CA -0.113 62.887 63.100 -0.168 0.000 0.773 25 P CB 0.414 31.971 31.700 -0.238 0.000 0.837 26 V N -0.166 119.606 119.914 -0.236 0.000 2.735 26 V HA 0.510 4.633 4.120 0.005 0.000 0.310 26 V C -1.162 174.801 176.094 -0.220 0.000 1.061 26 V CA -1.011 61.200 62.300 -0.148 0.000 0.913 26 V CB 1.505 33.191 31.823 -0.229 0.000 1.005 26 V HN 0.278 nan 8.190 nan 0.000 0.428 27 Y N 4.153 124.441 120.300 -0.019 0.000 2.326 27 Y HA 0.647 5.200 4.550 0.005 0.000 0.337 27 Y C -1.896 173.929 175.900 -0.124 0.000 1.023 27 Y CA -2.158 55.905 58.100 -0.062 0.000 1.143 27 Y CB 1.435 39.856 38.460 -0.065 0.000 1.183 27 Y HN 0.549 nan 8.280 nan 0.000 0.485 28 P HA 0.218 nan 4.420 nan 0.000 0.287 28 P C -0.929 176.334 177.300 -0.062 0.000 1.294 28 P CA -0.145 62.939 63.100 -0.027 0.000 0.776 28 P CB 1.261 32.948 31.700 -0.021 0.000 0.889 29 V N 4.174 124.024 119.914 -0.107 0.000 2.483 29 V HA 0.166 4.289 4.120 0.005 0.000 0.295 29 V C 1.497 177.524 176.094 -0.112 0.000 1.035 29 V CA -0.337 61.872 62.300 -0.151 0.000 0.896 29 V CB 1.862 33.542 31.823 -0.240 0.000 0.986 29 V HN 0.484 nan 8.190 nan 0.000 0.447 30 V N 0.831 120.681 119.914 -0.107 0.000 3.635 30 V HA 0.451 4.574 4.120 0.005 0.000 0.266 30 V C 0.486 176.526 176.094 -0.091 0.000 1.316 30 V CA 0.808 63.059 62.300 -0.083 0.000 1.060 30 V CB 0.072 31.857 31.823 -0.063 0.000 0.820 30 V HN 0.918 nan 8.190 nan 0.000 0.447 31 S N -1.019 114.607 115.700 -0.123 0.000 2.655 31 S HA 0.888 5.361 4.470 0.005 0.000 0.266 31 S C -0.845 173.643 174.600 -0.187 0.000 1.149 31 S CA -0.171 57.956 58.200 -0.121 0.000 0.818 31 S CB 1.366 64.517 63.200 -0.081 0.000 1.130 31 S HN 1.883 nan 8.310 nan 0.000 0.476 32 A N 0.338 123.056 122.820 -0.169 0.000 2.577 32 A HA 0.826 5.149 4.320 0.005 0.000 0.297 32 A C -1.684 175.855 177.584 -0.075 0.000 1.060 32 A CA -0.763 51.126 52.037 -0.247 0.000 0.697 32 A CB 1.407 20.042 19.000 -0.609 0.000 1.281 32 A HN 1.062 nan 8.150 nan 0.000 0.402 33 E N 0.707 120.892 120.200 -0.026 0.000 2.366 33 E HA 0.682 5.035 4.350 0.005 0.000 0.278 33 E C 0.546 177.205 176.600 0.098 0.000 0.923 33 E CA -0.490 55.945 56.400 0.058 0.000 0.761 33 E CB 1.399 31.110 29.700 0.018 0.000 1.231 33 E HN 2.126 nan 8.360 nan 0.000 0.443 34 G N 0.827 109.698 108.800 0.119 0.000 2.660 34 G HA2 -0.395 3.568 3.960 0.005 0.000 0.321 34 G HA3 -0.395 3.568 3.960 0.005 0.000 0.321 34 G C 0.701 175.715 174.900 0.190 0.000 1.246 34 G CA 0.440 45.609 45.100 0.116 0.000 1.000 34 G HN 0.733 nan 8.290 nan 0.000 0.550 35 C N 2.088 121.478 119.300 0.152 0.000 2.884 35 C HA 0.506 4.969 4.460 0.005 0.000 0.287 35 C C 0.737 175.817 174.990 0.150 0.000 1.310 35 C CA -0.089 59.043 59.018 0.191 0.000 1.725 35 C CB -1.439 26.377 27.740 0.126 0.000 2.060 35 C HN 0.459 nan 8.230 nan 0.000 0.618 36 E N 0.369 120.611 120.200 0.069 0.000 2.207 36 E HA 0.542 4.895 4.350 0.005 0.000 0.270 36 E C -0.974 175.505 176.600 -0.202 0.000 0.927 36 E CA -0.331 56.043 56.400 -0.043 0.000 0.799 36 E CB 1.549 31.225 29.700 -0.039 0.000 1.172 36 E HN 0.295 nan 8.360 nan 0.000 0.404 37 L N 3.208 124.281 121.223 -0.251 0.000 2.309 37 L HA 0.488 4.831 4.340 0.005 0.000 0.282 37 L C -0.390 176.334 176.870 -0.242 0.000 1.036 37 L CA -0.658 53.966 54.840 -0.360 0.000 0.806 37 L CB 0.894 42.682 42.059 -0.452 0.000 1.220 37 L HN 0.397 nan 8.230 nan 0.000 0.429 38 I N 4.260 124.697 120.570 -0.222 0.000 2.354 38 I HA 0.287 4.460 4.170 0.005 0.000 0.286 38 I C 0.064 176.096 176.117 -0.141 0.000 1.007 38 I CA -0.372 60.839 61.300 -0.149 0.000 1.167 38 I CB 1.147 39.078 38.000 -0.115 0.000 1.320 38 I HN 0.390 nan 8.210 nan 0.000 0.458 39 L N 4.203 125.356 121.223 -0.117 0.000 2.472 39 L HA 0.181 4.524 4.340 0.005 0.000 0.260 39 L C 1.708 178.544 176.870 -0.058 0.000 1.209 39 L CA -0.031 54.757 54.840 -0.087 0.000 0.817 39 L CB 0.653 42.685 42.059 -0.046 0.000 1.106 39 L HN 0.621 nan 8.230 nan 0.000 0.479 40 S N 0.559 116.234 115.700 -0.043 0.000 2.402 40 S HA -0.197 4.276 4.470 0.005 0.000 0.233 40 S C 1.183 175.769 174.600 -0.023 0.000 1.030 40 S CA 1.858 60.039 58.200 -0.033 0.000 1.003 40 S CB -0.372 62.814 63.200 -0.023 0.000 0.813 40 S HN 0.899 nan 8.310 nan 0.000 0.477 41 D N -0.833 119.559 120.400 -0.014 0.000 2.340 41 D HA 0.246 4.889 4.640 0.005 0.000 0.220 41 D C 1.220 177.511 176.300 -0.014 0.000 1.039 41 D CA 0.853 54.848 54.000 -0.009 0.000 0.866 41 D CB -0.379 40.423 40.800 0.005 0.000 0.913 41 D HN 0.396 nan 8.370 nan 0.000 0.523 42 G N -0.085 108.701 108.800 -0.024 0.000 2.238 42 G HA2 -0.279 3.684 3.960 0.005 0.000 0.217 42 G HA3 -0.279 3.684 3.960 0.005 0.000 0.217 42 G C 0.317 175.199 174.900 -0.031 0.000 0.996 42 G CA -0.280 44.803 45.100 -0.028 0.000 0.632 42 G HN 0.392 nan 8.290 nan 0.000 0.503 43 R N 0.937 121.420 120.500 -0.028 0.000 2.570 43 R HA 0.424 4.767 4.340 0.005 0.000 0.277 43 R C 0.410 176.679 176.300 -0.052 0.000 1.039 43 R CA 0.214 56.295 56.100 -0.032 0.000 1.065 43 R CB 0.322 30.609 30.300 -0.023 0.000 0.964 43 R HN 0.320 nan 8.270 nan 0.000 0.428 44 R N 3.408 123.879 120.500 -0.049 0.000 2.346 44 R HA 0.404 4.747 4.340 0.005 0.000 0.311 44 R C -0.621 175.645 176.300 -0.057 0.000 0.983 44 R CA -0.605 55.460 56.100 -0.060 0.000 0.880 44 R CB 1.082 31.355 30.300 -0.045 0.000 1.100 44 R HN 0.342 nan 8.270 nan 0.000 0.453 45 L N 2.630 123.809 121.223 -0.074 0.000 2.362 45 L HA 0.451 4.794 4.340 0.005 0.000 0.275 45 L C -0.201 176.652 176.870 -0.028 0.000 0.998 45 L CA -1.363 53.449 54.840 -0.047 0.000 0.820 45 L CB 2.066 44.100 42.059 -0.041 0.000 1.270 45 L HN 0.277 nan 8.230 nan 0.000 0.415 46 V N 1.346 121.261 119.914 0.001 0.000 2.479 46 V HA -0.008 4.115 4.120 0.005 0.000 0.281 46 V C 0.069 176.200 176.094 0.062 0.000 1.031 46 V CA 0.092 62.408 62.300 0.027 0.000 1.038 46 V CB 0.980 32.814 31.823 0.020 0.000 0.981 46 V HN 0.681 nan 8.190 nan 0.000 0.478 47 D N 4.064 124.527 120.400 0.105 0.000 2.277 47 D HA 0.404 5.047 4.640 0.005 0.000 0.249 47 D C 0.918 177.304 176.300 0.144 0.000 1.134 47 D CA 0.194 54.301 54.000 0.179 0.000 0.863 47 D CB 1.787 42.742 40.800 0.259 0.000 1.143 47 D HN 0.551 nan 8.370 nan 0.000 0.458 48 G N 2.826 111.680 108.800 0.090 0.000 3.126 48 G HA2 0.006 3.969 3.960 0.005 0.000 0.224 48 G HA3 0.006 3.969 3.960 0.005 0.000 0.224 48 G C 0.809 175.751 174.900 0.070 0.000 1.142 48 G CA -0.099 45.014 45.100 0.023 0.000 0.759 48 G HN 0.452 nan 8.290 nan 0.000 0.550 49 M N 0.971 120.678 119.600 0.179 0.000 2.346 49 M HA 0.230 4.713 4.480 0.005 0.000 0.280 49 M C 1.908 178.529 176.300 0.537 0.000 1.075 49 M CA -0.093 55.422 55.300 0.358 0.000 0.989 49 M CB 0.042 32.917 32.600 0.459 0.000 1.447 49 M HN 0.052 nan 8.290 nan 0.000 0.511 50 S N 1.113 117.027 115.700 0.357 0.000 2.374 50 S HA -0.136 4.337 4.470 0.005 0.000 0.227 50 S C 2.061 176.792 174.600 0.219 0.000 1.037 50 S CA 1.995 60.366 58.200 0.285 0.000 1.024 50 S CB -0.329 62.934 63.200 0.104 0.000 0.861 50 S HN 0.507 nan 8.310 nan 0.000 0.456 51 S N 0.183 115.984 115.700 0.167 0.000 2.402 51 S HA -0.038 4.435 4.470 0.005 0.000 0.229 51 S C 1.239 175.905 174.600 0.110 0.000 1.021 51 S CA 0.534 58.762 58.200 0.048 0.000 0.974 51 S CB -0.347 62.875 63.200 0.036 0.000 0.800 51 S HN 0.722 nan 8.310 nan 0.000 0.484 52 W N 0.834 122.180 121.300 0.077 0.000 2.425 52 W HA 0.002 4.665 4.660 0.005 0.000 0.277 52 W C 0.112 176.424 176.519 -0.345 0.000 1.231 52 W CA 0.519 57.774 57.345 -0.151 0.000 1.248 52 W CB -0.093 29.247 29.460 -0.201 0.000 1.117 52 W HN 0.347 nan 8.180 nan 0.000 0.568 53 W N 0.533 121.908 121.300 0.124 0.000 3.213 53 W HA 0.360 5.023 4.660 0.005 0.000 0.430 53 W C 1.255 177.737 176.519 -0.061 0.000 0.975 53 W CA 0.635 58.002 57.345 0.037 0.000 2.015 53 W CB -0.812 28.738 29.460 0.151 0.000 1.047 53 W HN 0.088 nan 8.180 nan 0.000 0.797 54 A N 0.047 122.838 122.820 -0.049 0.000 3.383 54 A HA -0.209 4.114 4.320 0.005 0.000 0.264 54 A C 0.855 178.324 177.584 -0.191 0.000 1.154 54 A CA 1.364 53.320 52.037 -0.135 0.000 1.179 54 A CB -1.724 17.208 19.000 -0.112 0.000 1.133 54 A HN 0.426 nan 8.150 nan 0.000 0.933 55 A N 0.405 123.113 122.820 -0.187 0.000 3.157 55 A HA 0.612 4.935 4.320 0.005 0.000 0.276 55 A C 1.097 178.432 177.584 -0.416 0.000 1.524 55 A CA 0.216 52.051 52.037 -0.337 0.000 1.236 55 A CB -1.160 17.534 19.000 -0.509 0.000 1.173 55 A HN 1.560 nan 8.150 nan 0.000 0.595 56 I N -2.627 117.585 120.570 -0.597 0.000 2.676 56 I HA -0.055 4.118 4.170 0.005 0.000 0.259 56 I C 0.903 176.537 176.117 -0.805 0.000 1.194 56 I CA 0.957 61.693 61.300 -0.940 0.000 1.473 56 I CB -0.303 36.868 38.000 -1.381 0.000 1.096 56 I HN 0.493 nan 8.210 nan 0.000 0.443 57 H N 1.850 120.740 119.070 -0.301 0.000 2.507 57 H HA 0.463 5.022 4.556 0.005 0.000 0.294 57 H C 1.305 176.605 175.328 -0.047 0.000 1.064 57 H CA 0.361 56.324 56.048 -0.142 0.000 1.138 57 H CB -0.264 29.346 29.762 -0.252 0.000 1.515 57 H HN 0.530 nan 8.280 nan 0.000 0.547 58 G N 0.883 109.615 108.800 -0.112 0.000 2.598 58 G HA2 -0.281 3.682 3.960 0.005 0.000 0.244 58 G HA3 -0.281 3.682 3.960 0.005 0.000 0.244 58 G C -0.990 173.751 174.900 -0.266 0.000 1.302 58 G CA -0.448 44.569 45.100 -0.137 0.000 0.903 58 G HN 0.354 nan 8.290 nan 0.000 0.575 59 Y N 0.034 120.374 120.300 0.067 0.000 2.528 59 Y HA 0.633 5.186 4.550 0.005 0.000 0.335 59 Y C 1.235 177.169 175.900 0.057 0.000 1.093 59 Y CA -0.185 57.945 58.100 0.050 0.000 1.134 59 Y CB 1.403 39.870 38.460 0.012 0.000 1.253 59 Y HN 0.707 nan 8.280 nan 0.000 0.478 60 N N 1.629 120.461 118.700 0.219 0.000 2.707 60 N HA -0.269 4.474 4.740 0.005 0.000 0.253 60 N C -0.775 174.799 175.510 0.106 0.000 0.998 60 N CA 0.528 53.655 53.050 0.127 0.000 0.751 60 N CB -0.996 37.542 38.487 0.084 0.000 0.920 60 N HN 0.685 nan 8.380 nan 0.000 0.539 61 H N 1.036 120.129 119.070 0.038 0.000 2.767 61 H HA 0.121 4.680 4.556 0.005 0.000 0.316 61 H C -1.298 174.029 175.328 -0.002 0.000 1.059 61 H CA -1.142 54.917 56.048 0.017 0.000 1.461 61 H CB 1.306 31.072 29.762 0.006 0.000 1.475 61 H HN 0.135 nan 8.280 nan 0.000 0.531 62 P HA -0.184 nan 4.420 nan 0.000 0.215 62 P C 1.127 178.498 177.300 0.119 0.000 1.157 62 P CA 1.342 64.436 63.100 -0.010 0.000 0.868 62 P CB 0.437 32.073 31.700 -0.105 0.000 0.788 63 Q N -0.536 119.447 119.800 0.305 0.000 2.079 63 Q HA -0.070 4.273 4.340 0.005 0.000 0.200 63 Q C 2.518 178.566 176.000 0.079 0.000 0.974 63 Q CA 1.138 57.047 55.803 0.177 0.000 0.840 63 Q CB -0.538 28.295 28.738 0.159 0.000 0.898 63 Q HN 0.275 nan 8.270 nan 0.000 0.430 64 L N 0.596 121.870 121.223 0.085 0.000 2.056 64 L HA -0.187 4.156 4.340 0.005 0.000 0.207 64 L C 1.966 178.846 176.870 0.018 0.000 1.078 64 L CA 0.638 55.467 54.840 -0.018 0.000 0.749 64 L CB -0.565 41.467 42.059 -0.044 0.000 0.901 64 L HN 0.236 nan 8.230 nan 0.000 0.433 65 N N 0.732 119.464 118.700 0.055 0.000 2.025 65 N HA -0.178 4.565 4.740 0.005 0.000 0.194 65 N C 1.945 177.464 175.510 0.016 0.000 1.044 65 N CA 1.772 54.842 53.050 0.032 0.000 0.851 65 N CB -0.538 37.970 38.487 0.036 0.000 1.036 65 N HN 0.302 nan 8.380 nan 0.000 0.422 66 A N 1.045 123.876 122.820 0.020 0.000 1.873 66 A HA -0.122 4.201 4.320 0.005 0.000 0.218 66 A C 2.381 179.965 177.584 0.001 0.000 1.193 66 A CA 2.571 54.613 52.037 0.009 0.000 0.629 66 A CB -1.185 17.822 19.000 0.011 0.000 0.826 66 A HN 0.365 nan 8.150 nan 0.000 0.447 67 A N -0.781 122.037 122.820 -0.003 0.000 1.892 67 A HA -0.199 4.124 4.320 0.005 0.000 0.218 67 A C 2.306 179.882 177.584 -0.014 0.000 1.188 67 A CA 2.069 54.098 52.037 -0.013 0.000 0.631 67 A CB -0.574 18.410 19.000 -0.026 0.000 0.822 67 A HN 0.565 nan 8.150 nan 0.000 0.447 68 M N -1.159 118.433 119.600 -0.013 0.000 2.132 68 M HA -0.144 4.339 4.480 0.005 0.000 0.263 68 M C 2.194 178.487 176.300 -0.011 0.000 1.065 68 M CA 1.662 56.953 55.300 -0.015 0.000 1.122 68 M CB -0.320 32.273 32.600 -0.013 0.000 1.365 68 M HN 0.347 nan 8.290 nan 0.000 0.411 69 K N -0.466 119.930 120.400 -0.007 0.000 2.103 69 K HA -0.032 4.291 4.320 0.005 0.000 0.204 69 K C 2.173 178.769 176.600 -0.007 0.000 1.052 69 K CA 1.202 57.486 56.287 -0.006 0.000 0.945 69 K CB -0.045 32.453 32.500 -0.003 0.000 0.722 69 K HN 0.152 nan 8.250 nan 0.000 0.443 70 S N 1.161 116.857 115.700 -0.006 0.000 2.356 70 S HA -0.209 4.264 4.470 0.005 0.000 0.223 70 S C 1.953 176.547 174.600 -0.010 0.000 1.032 70 S CA 1.452 59.648 58.200 -0.007 0.000 1.005 70 S CB -0.192 63.005 63.200 -0.005 0.000 0.867 70 S HN 0.253 nan 8.310 nan 0.000 0.449 71 Q N 1.282 121.073 119.800 -0.014 0.000 2.084 71 Q HA 0.022 4.365 4.340 0.005 0.000 0.202 71 Q C 1.825 177.813 176.000 -0.020 0.000 0.978 71 Q CA 1.475 57.265 55.803 -0.021 0.000 0.844 71 Q CB -0.571 28.151 28.738 -0.026 0.000 0.898 71 Q HN 0.594 nan 8.270 nan 0.000 0.426 72 I N 0.698 121.259 120.570 -0.014 0.000 2.208 72 I HA -0.294 3.879 4.170 0.005 0.000 0.245 72 I C 1.427 177.539 176.117 -0.008 0.000 1.097 72 I CA 1.466 62.760 61.300 -0.010 0.000 1.363 72 I CB -0.347 37.648 38.000 -0.008 0.000 1.051 72 I HN 0.219 nan 8.210 nan 0.000 0.413 73 D N 0.836 121.231 120.400 -0.008 0.000 2.178 73 D HA -0.122 4.521 4.640 0.005 0.000 0.201 73 D C 2.128 178.423 176.300 -0.008 0.000 0.980 73 D CA 1.437 55.433 54.000 -0.007 0.000 0.842 73 D CB -0.038 40.759 40.800 -0.005 0.000 0.948 73 D HN 0.399 nan 8.370 nan 0.000 0.472 74 A N 0.349 123.161 122.820 -0.013 0.000 1.850 74 A HA 0.224 4.547 4.320 0.005 0.000 0.212 74 A C 1.072 178.642 177.584 -0.023 0.000 1.208 74 A CA 1.113 53.140 52.037 -0.017 0.000 0.609 74 A CB -0.005 18.983 19.000 -0.021 0.000 0.860 74 A HN 0.330 nan 8.150 nan 0.000 0.448 75 M N -3.931 115.649 119.600 -0.032 0.000 2.447 75 M HA 0.370 4.853 4.480 0.005 0.000 0.292 75 M C -0.193 176.088 176.300 -0.031 0.000 1.083 75 M CA -0.250 55.031 55.300 -0.031 0.000 0.907 75 M CB 1.294 33.861 32.600 -0.055 0.000 1.829 75 M HN -0.134 nan 8.290 nan 0.000 0.518 76 S N -0.180 115.526 115.700 0.010 0.000 2.362 76 S HA 0.065 4.538 4.470 0.005 0.000 0.221 76 S C 0.023 174.685 174.600 0.102 0.000 1.032 76 S CA 1.403 59.625 58.200 0.037 0.000 0.973 76 S CB -0.021 63.212 63.200 0.054 0.000 0.849 76 S HN 0.826 nan 8.310 nan 0.000 0.465 77 H N -1.292 117.777 119.070 -0.002 0.000 2.980 77 H HA 0.712 5.271 4.556 0.005 0.000 0.367 77 H C -1.393 173.944 175.328 0.014 0.000 1.206 77 H CA -0.490 55.575 56.048 0.028 0.000 1.126 77 H CB 1.843 31.696 29.762 0.151 0.000 1.838 77 H HN 0.023 nan 8.280 nan 0.000 0.552 78 V N 4.878 124.271 119.914 -0.868 0.000 3.098 78 V HA 0.309 4.432 4.120 0.005 0.000 0.294 78 V C -0.592 175.114 176.094 -0.648 0.000 1.351 78 V CA -0.742 61.234 62.300 -0.541 0.000 0.999 78 V CB 1.832 33.535 31.823 -0.200 0.000 1.104 78 V HN 1.054 nan 8.190 nan 0.000 0.438 79 M N 3.789 123.219 119.600 -0.283 0.000 2.219 79 M HA 0.385 4.868 4.480 0.005 0.000 0.307 79 M C -0.290 176.089 176.300 0.131 0.000 1.116 79 M CA 0.671 55.937 55.300 -0.058 0.000 1.181 79 M CB 0.244 32.841 32.600 -0.006 0.000 1.410 79 M HN 0.618 nan 8.290 nan 0.000 0.454 80 F N 0.455 120.387 119.950 -0.030 0.000 2.678 80 F HA 0.449 4.979 4.527 0.005 0.000 0.305 80 F C 0.879 176.658 175.800 -0.035 0.000 1.090 80 F CA -0.875 57.110 58.000 -0.025 0.000 1.272 80 F CB 0.267 39.255 39.000 -0.019 0.000 1.060 80 F HN 0.754 nan 8.300 nan 0.000 0.576 81 G N -0.335 108.481 108.800 0.028 0.000 2.448 81 G HA2 0.424 4.387 3.960 0.005 0.000 0.309 81 G HA3 0.424 4.387 3.960 0.005 0.000 0.309 81 G C 0.999 175.856 174.900 -0.073 0.000 1.027 81 G CA 0.127 45.205 45.100 -0.037 0.000 1.104 81 G HN 0.660 nan 8.290 nan 0.000 0.428 82 G N 1.553 110.276 108.800 -0.129 0.000 2.159 82 G HA2 -0.257 3.706 3.960 0.005 0.000 0.256 82 G HA3 -0.257 3.706 3.960 0.005 0.000 0.256 82 G C 0.209 175.038 174.900 -0.120 0.000 0.977 82 G CA 0.469 45.503 45.100 -0.111 0.000 0.652 82 G HN 0.766 nan 8.290 nan 0.000 0.531 83 I N -0.352 120.118 120.570 -0.166 0.000 2.730 83 I HA 0.698 4.871 4.170 0.005 0.000 0.298 83 I C 0.077 176.065 176.117 -0.214 0.000 1.089 83 I CA -0.663 60.570 61.300 -0.111 0.000 1.041 83 I CB 2.591 40.587 38.000 -0.007 0.000 1.235 83 I HN 0.123 nan 8.210 nan 0.000 0.423 84 T N 2.452 116.937 114.554 -0.114 0.000 2.838 84 T HA 0.759 5.112 4.350 0.005 0.000 0.292 84 T C -1.630 173.108 174.700 0.063 0.000 1.113 84 T CA -0.424 61.592 62.100 -0.139 0.000 1.008 84 T CB 1.328 70.072 68.868 -0.207 0.000 1.259 84 T HN 0.837 nan 8.240 nan 0.000 0.520 85 H N -1.394 117.754 119.070 0.130 0.000 2.967 85 H HA 0.766 5.325 4.556 0.005 0.000 0.318 85 H C 0.720 176.093 175.328 0.075 0.000 1.375 85 H CA -0.337 55.763 56.048 0.087 0.000 1.132 85 H CB 0.691 30.503 29.762 0.084 0.000 1.848 85 H HN 0.608 nan 8.280 nan 0.000 0.524 86 A N 0.402 123.368 122.820 0.243 0.000 1.858 86 A HA 0.025 4.348 4.320 0.005 0.000 0.216 86 A C -0.599 177.084 177.584 0.165 0.000 1.190 86 A CA 1.875 53.998 52.037 0.145 0.000 0.617 86 A CB -1.848 17.208 19.000 0.092 0.000 0.827 86 A HN 0.680 nan 8.150 nan 0.000 0.443 87 P HA -0.184 nan 4.420 nan 0.000 0.215 87 P C 1.743 179.141 177.300 0.162 0.000 1.157 87 P CA 2.188 65.393 63.100 0.176 0.000 0.874 87 P CB -0.163 31.628 31.700 0.152 0.000 0.790 88 A N -1.078 121.866 122.820 0.207 0.000 1.933 88 A HA -0.170 4.153 4.320 0.005 0.000 0.218 88 A C 2.224 179.817 177.584 0.016 0.000 1.175 88 A CA 1.519 53.546 52.037 -0.016 0.000 0.628 88 A CB -1.579 17.226 19.000 -0.325 0.000 0.814 88 A HN 0.129 nan 8.150 nan 0.000 0.444 89 I N -0.666 119.921 120.570 0.028 0.000 2.286 89 I HA -0.151 4.022 4.170 0.005 0.000 0.245 89 I C 2.424 178.561 176.117 0.034 0.000 1.104 89 I CA 0.940 62.257 61.300 0.028 0.000 1.397 89 I CB -0.312 37.701 38.000 0.022 0.000 1.072 89 I HN 0.233 nan 8.210 nan 0.000 0.417 90 E N 0.686 120.911 120.200 0.043 0.000 2.058 90 E HA -0.247 4.106 4.350 0.005 0.000 0.194 90 E C 2.126 178.746 176.600 0.033 0.000 0.997 90 E CA 1.228 57.650 56.400 0.036 0.000 0.801 90 E CB -0.600 29.121 29.700 0.034 0.000 0.746 90 E HN 0.286 nan 8.360 nan 0.000 0.450 91 L N 0.968 122.210 121.223 0.032 0.000 1.990 91 L HA -0.194 4.149 4.340 0.005 0.000 0.213 91 L C 2.436 179.330 176.870 0.040 0.000 1.072 91 L CA 1.819 56.676 54.840 0.029 0.000 0.755 91 L CB -0.908 41.161 42.059 0.017 0.000 0.889 91 L HN 0.123 nan 8.230 nan 0.000 0.432 92 C N -0.541 118.780 119.300 0.035 0.000 2.422 92 C HA -0.105 4.358 4.460 0.005 0.000 0.279 92 C C 2.807 177.819 174.990 0.036 0.000 1.305 92 C CA 0.622 59.662 59.018 0.036 0.000 1.757 92 C CB -1.146 26.614 27.740 0.034 0.000 1.962 92 C HN 0.489 nan 8.230 nan 0.000 0.499 93 R N 0.977 121.498 120.500 0.035 0.000 2.070 93 R HA -0.119 4.224 4.340 0.005 0.000 0.233 93 R C 2.321 178.648 176.300 0.046 0.000 1.137 93 R CA 1.387 57.508 56.100 0.034 0.000 0.945 93 R CB -0.248 30.070 30.300 0.031 0.000 0.845 93 R HN 0.566 nan 8.270 nan 0.000 0.430 94 K N 0.517 120.950 120.400 0.055 0.000 2.063 94 K HA -0.130 4.193 4.320 0.005 0.000 0.208 94 K C 2.169 178.834 176.600 0.109 0.000 1.048 94 K CA 1.238 57.571 56.287 0.077 0.000 0.928 94 K CB -0.164 32.380 32.500 0.073 0.000 0.713 94 K HN 0.154 nan 8.250 nan 0.000 0.442 95 L N 0.466 121.753 121.223 0.107 0.000 2.046 95 L HA -0.185 4.158 4.340 0.005 0.000 0.208 95 L C 2.372 179.273 176.870 0.053 0.000 1.077 95 L CA 0.899 55.809 54.840 0.117 0.000 0.747 95 L CB -0.522 41.596 42.059 0.099 0.000 0.896 95 L HN 0.000 nan 8.230 nan 0.000 0.432 96 V N 0.196 120.130 119.914 0.034 0.000 2.295 96 V HA -0.278 3.845 4.120 0.005 0.000 0.246 96 V C 2.756 178.861 176.094 0.018 0.000 1.049 96 V CA 1.865 64.171 62.300 0.008 0.000 1.024 96 V CB -0.837 30.991 31.823 0.008 0.000 0.648 96 V HN 0.478 nan 8.190 nan 0.000 0.447 97 A N 0.676 123.521 122.820 0.041 0.000 1.972 97 A HA -0.198 4.125 4.320 0.005 0.000 0.219 97 A C 2.196 179.824 177.584 0.074 0.000 1.169 97 A CA 2.145 54.212 52.037 0.050 0.000 0.635 97 A CB -0.449 18.584 19.000 0.055 0.000 0.810 97 A HN 0.687 nan 8.150 nan 0.000 0.446 98 M N -0.846 118.822 119.600 0.114 0.000 2.502 98 M HA 0.126 4.609 4.480 0.005 0.000 0.243 98 M C 0.420 176.845 176.300 0.209 0.000 1.130 98 M CA 0.844 56.259 55.300 0.192 0.000 1.055 98 M CB -0.505 32.260 32.600 0.275 0.000 1.457 98 M HN 0.270 nan 8.290 nan 0.000 0.488 99 T N -0.823 113.754 114.554 0.038 0.000 2.945 99 T HA 0.653 5.006 4.350 0.005 0.000 0.286 99 T C -2.792 171.864 174.700 -0.074 0.000 1.025 99 T CA -1.902 60.118 62.100 -0.133 0.000 1.039 99 T CB 1.063 69.747 68.868 -0.308 0.000 1.068 99 T HN -0.052 nan 8.240 nan 0.000 0.497 100 P HA -0.015 nan 4.420 nan 0.000 0.266 100 P C 1.109 178.377 177.300 -0.052 0.000 1.186 100 P CA -0.085 62.982 63.100 -0.055 0.000 0.767 100 P CB 0.428 32.087 31.700 -0.068 0.000 0.820 101 Q N 3.261 123.042 119.800 -0.031 0.000 2.096 101 Q HA -0.190 4.153 4.340 0.005 0.000 0.208 101 Q C -0.754 175.225 176.000 -0.036 0.000 0.993 101 Q CA 2.609 58.396 55.803 -0.025 0.000 0.862 101 Q CB -1.869 26.860 28.738 -0.016 0.000 0.915 101 Q HN 0.415 nan 8.270 nan 0.000 0.416 102 P HA -0.062 nan 4.420 nan 0.000 0.225 102 P C -0.074 177.188 177.300 -0.063 0.000 1.148 102 P CA 0.829 63.899 63.100 -0.049 0.000 0.779 102 P CB -0.155 31.513 31.700 -0.053 0.000 0.780 103 L N 1.217 122.395 121.223 -0.075 0.000 2.334 103 L HA 0.153 4.496 4.340 0.005 0.000 0.286 103 L C 1.113 177.943 176.870 -0.067 0.000 1.108 103 L CA 0.114 54.901 54.840 -0.089 0.000 0.875 103 L CB -0.152 41.831 42.059 -0.127 0.000 1.246 103 L HN 0.100 nan 8.230 nan 0.000 0.439 104 E N 0.577 120.745 120.200 -0.053 0.000 2.759 104 E HA 0.196 4.549 4.350 0.005 0.000 0.220 104 E C -0.528 176.058 176.600 -0.025 0.000 0.974 104 E CA -0.370 56.010 56.400 -0.034 0.000 1.148 104 E CB 0.522 30.206 29.700 -0.027 0.000 1.059 104 E HN 0.365 nan 8.360 nan 0.000 0.493 105 C N 1.611 120.893 119.300 -0.030 0.000 2.346 105 C HA 0.532 4.995 4.460 0.005 0.000 0.326 105 C C -0.134 174.858 174.990 0.004 0.000 1.224 105 C CA -0.725 58.285 59.018 -0.013 0.000 1.408 105 C CB 1.038 28.765 27.740 -0.023 0.000 2.089 105 C HN 0.245 nan 8.230 nan 0.000 0.456 106 V N 3.746 123.678 119.914 0.030 0.000 2.347 106 V HA 0.346 4.469 4.120 0.005 0.000 0.280 106 V C -0.422 175.734 176.094 0.104 0.000 1.021 106 V CA -0.308 62.023 62.300 0.053 0.000 0.847 106 V CB 1.088 32.933 31.823 0.036 0.000 0.990 106 V HN 0.755 nan 8.190 nan 0.000 0.444 107 F N 6.184 126.140 119.950 0.009 0.000 2.313 107 F HA 0.562 5.091 4.527 0.004 0.000 0.369 107 F C 0.043 175.873 175.800 0.050 0.000 1.109 107 F CA -0.506 57.528 58.000 0.057 0.000 1.132 107 F CB 0.535 39.564 39.000 0.047 0.000 1.291 107 F HN 0.343 nan 8.300 nan 0.000 0.496 108 L N 6.030 127.161 121.223 -0.153 0.000 2.397 108 L HA 0.606 4.949 4.340 0.005 0.000 0.271 108 L C 0.310 177.151 176.870 -0.048 0.000 1.148 108 L CA -0.143 54.648 54.840 -0.081 0.000 0.825 108 L CB 0.765 42.722 42.059 -0.170 0.000 1.117 108 L HN 0.761 nan 8.230 nan 0.000 0.456 109 A N 1.802 124.678 122.820 0.093 0.000 2.525 109 A HA 0.448 4.771 4.320 0.005 0.000 0.291 109 A C -0.173 177.471 177.584 0.099 0.000 1.268 109 A CA -0.544 51.593 52.037 0.167 0.000 0.712 109 A CB 0.902 20.082 19.000 0.300 0.000 1.320 109 A HN 0.673 nan 8.150 nan 0.000 0.456 110 D N -0.043 120.427 120.400 0.117 0.000 2.240 110 D HA 0.136 4.779 4.640 0.005 0.000 0.206 110 D C 0.714 177.040 176.300 0.042 0.000 0.963 110 D CA 1.761 55.804 54.000 0.071 0.000 0.863 110 D CB 0.250 41.102 40.800 0.086 0.000 0.973 110 D HN 0.660 nan 8.370 nan 0.000 0.501 111 S N -1.757 113.974 115.700 0.052 0.000 2.588 111 S HA 0.497 4.970 4.470 0.005 0.000 0.269 111 S C 1.037 175.654 174.600 0.027 0.000 1.157 111 S CA -0.326 57.893 58.200 0.031 0.000 0.824 111 S CB 1.512 64.731 63.200 0.032 0.000 1.126 111 S HN -0.007 nan 8.310 nan 0.000 0.464 112 G N 1.513 110.319 108.800 0.009 0.000 2.459 112 G HA2 -0.133 3.830 3.960 0.005 0.000 0.217 112 G HA3 -0.133 3.830 3.960 0.005 0.000 0.217 112 G C 1.359 176.253 174.900 -0.010 0.000 1.183 112 G CA 1.248 46.345 45.100 -0.005 0.000 0.776 112 G HN 0.803 nan 8.290 nan 0.000 0.552 113 S N -0.139 115.558 115.700 -0.005 0.000 2.365 113 S HA -0.148 4.325 4.470 0.005 0.000 0.225 113 S C 2.483 177.076 174.600 -0.011 0.000 1.039 113 S CA 1.349 59.537 58.200 -0.020 0.000 1.033 113 S CB -0.357 62.840 63.200 -0.005 0.000 0.887 113 S HN 0.176 nan 8.310 nan 0.000 0.447 114 V N 1.677 121.604 119.914 0.021 0.000 2.427 114 V HA -0.156 3.967 4.120 0.005 0.000 0.248 114 V C 2.556 178.639 176.094 -0.018 0.000 1.051 114 V CA 1.530 63.854 62.300 0.040 0.000 1.048 114 V CB -1.119 30.768 31.823 0.107 0.000 0.666 114 V HN 0.541 nan 8.190 nan 0.000 0.456 115 A N -0.350 122.467 122.820 -0.005 0.000 1.933 115 A HA -0.152 4.171 4.320 0.005 0.000 0.218 115 A C 2.376 179.917 177.584 -0.072 0.000 1.175 115 A CA 2.013 54.036 52.037 -0.023 0.000 0.628 115 A CB -0.564 18.440 19.000 0.006 0.000 0.814 115 A HN 0.342 nan 8.150 nan 0.000 0.444 116 V N 0.242 120.114 119.914 -0.071 0.000 2.453 116 V HA -0.180 3.943 4.120 0.005 0.000 0.247 116 V C 2.475 178.497 176.094 -0.119 0.000 1.048 116 V CA 1.903 64.138 62.300 -0.108 0.000 1.049 116 V CB -0.647 31.110 31.823 -0.109 0.000 0.672 116 V HN 0.542 nan 8.190 nan 0.000 0.457 117 E N 0.064 120.214 120.200 -0.084 0.000 2.085 117 E HA -0.183 4.170 4.350 0.005 0.000 0.194 117 E C 2.331 178.888 176.600 -0.072 0.000 0.994 117 E CA 1.391 57.759 56.400 -0.054 0.000 0.801 117 E CB -0.392 29.321 29.700 0.022 0.000 0.743 117 E HN 0.478 nan 8.360 nan 0.000 0.453 118 V N 1.729 121.536 119.914 -0.178 0.000 2.287 118 V HA -0.288 3.835 4.120 0.005 0.000 0.248 118 V C 2.502 178.523 176.094 -0.122 0.000 1.053 118 V CA 1.918 64.075 62.300 -0.239 0.000 1.027 118 V CB -0.878 30.680 31.823 -0.441 0.000 0.646 118 V HN 0.271 nan 8.190 nan 0.000 0.447 119 A N -0.643 122.094 122.820 -0.138 0.000 1.883 119 A HA -0.266 4.057 4.320 0.005 0.000 0.217 119 A C 2.237 179.806 177.584 -0.025 0.000 1.186 119 A CA 2.420 54.386 52.037 -0.119 0.000 0.624 119 A CB -0.493 18.436 19.000 -0.118 0.000 0.822 119 A HN 0.510 nan 8.150 nan 0.000 0.444 120 M N -1.039 118.553 119.600 -0.014 0.000 2.132 120 M HA -0.135 4.348 4.480 0.005 0.000 0.263 120 M C 2.177 178.619 176.300 0.237 0.000 1.065 120 M CA 1.646 57.009 55.300 0.104 0.000 1.122 120 M CB -0.306 32.185 32.600 -0.182 0.000 1.365 120 M HN 0.317 nan 8.290 nan 0.000 0.411 121 K N 0.161 120.660 120.400 0.164 0.000 2.057 121 K HA -0.088 4.235 4.320 0.005 0.000 0.207 121 K C 1.933 178.695 176.600 0.270 0.000 1.049 121 K CA 1.403 57.837 56.287 0.244 0.000 0.931 121 K CB -0.153 32.516 32.500 0.282 0.000 0.714 121 K HN 0.299 nan 8.250 nan 0.000 0.440 122 M N 0.212 119.884 119.600 0.121 0.000 2.108 122 M HA -0.219 4.264 4.480 0.005 0.000 0.261 122 M C 2.349 178.660 176.300 0.019 0.000 1.066 122 M CA 1.791 57.035 55.300 -0.094 0.000 1.107 122 M CB -0.306 32.076 32.600 -0.363 0.000 1.356 122 M HN 0.241 nan 8.290 nan 0.000 0.406 123 A N 0.111 122.980 122.820 0.081 0.000 1.930 123 A HA -0.099 4.224 4.320 0.005 0.000 0.217 123 A C 2.056 179.780 177.584 0.235 0.000 1.175 123 A CA 1.276 53.385 52.037 0.121 0.000 0.627 123 A CB -0.801 18.313 19.000 0.190 0.000 0.815 123 A HN 0.452 nan 8.150 nan 0.000 0.443 124 L N -1.133 120.236 121.223 0.244 0.000 2.027 124 L HA -0.208 4.135 4.340 0.005 0.000 0.206 124 L C 2.889 179.887 176.870 0.213 0.000 1.074 124 L CA 1.479 56.460 54.840 0.236 0.000 0.745 124 L CB -0.560 41.623 42.059 0.207 0.000 0.898 124 L HN 0.461 nan 8.230 nan 0.000 0.433 125 Q N -1.054 118.859 119.800 0.188 0.000 2.124 125 Q HA -0.254 4.089 4.340 0.005 0.000 0.202 125 Q C 2.099 178.160 176.000 0.101 0.000 0.977 125 Q CA 1.775 57.669 55.803 0.152 0.000 0.850 125 Q CB -0.174 28.684 28.738 0.200 0.000 0.901 125 Q HN 0.449 nan 8.270 nan 0.000 0.429 126 Y N -0.410 119.843 120.300 -0.078 0.000 2.070 126 Y HA -0.294 4.259 4.550 0.005 0.000 0.280 126 Y C 1.553 177.286 175.900 -0.278 0.000 1.148 126 Y CA 1.999 59.940 58.100 -0.265 0.000 1.125 126 Y CB -0.636 37.547 38.460 -0.463 0.000 0.975 126 Y HN 0.138 nan 8.280 nan 0.000 0.492 127 W N 0.532 121.852 121.300 0.032 0.000 2.374 127 W HA -0.190 4.473 4.660 0.005 0.000 0.288 127 W C 2.681 179.152 176.519 -0.080 0.000 1.218 127 W CA 1.090 58.395 57.345 -0.067 0.000 1.245 127 W CB -0.370 29.095 29.460 0.010 0.000 1.126 127 W HN 0.162 nan 8.180 nan 0.000 0.545 128 Q N 0.910 120.811 119.800 0.169 0.000 2.084 128 Q HA -0.180 4.163 4.340 0.005 0.000 0.202 128 Q C 2.261 178.275 176.000 0.022 0.000 0.978 128 Q CA 1.958 57.817 55.803 0.092 0.000 0.844 128 Q CB -0.538 28.250 28.738 0.083 0.000 0.898 128 Q HN 0.289 nan 8.270 nan 0.000 0.426 129 A N 0.989 123.785 122.820 -0.039 0.000 2.015 129 A HA -0.134 4.189 4.320 0.005 0.000 0.219 129 A C 1.890 179.407 177.584 -0.111 0.000 1.163 129 A CA 1.300 53.288 52.037 -0.082 0.000 0.646 129 A CB -0.217 18.710 19.000 -0.121 0.000 0.806 129 A HN 0.328 nan 8.150 nan 0.000 0.448 130 K N -1.427 118.885 120.400 -0.147 0.000 2.459 130 K HA 0.187 4.510 4.320 0.005 0.000 0.193 130 K C 1.062 177.670 176.600 0.013 0.000 1.030 130 K CA 0.508 56.734 56.287 -0.100 0.000 1.026 130 K CB -0.021 32.388 32.500 -0.152 0.000 0.809 130 K HN 0.651 nan 8.250 nan 0.000 0.504 131 G N 2.206 111.026 108.800 0.034 0.000 2.143 131 G HA2 -0.274 3.689 3.960 0.005 0.000 0.248 131 G HA3 -0.274 3.689 3.960 0.005 0.000 0.248 131 G C -0.356 174.576 174.900 0.053 0.000 0.991 131 G CA 0.054 45.176 45.100 0.037 0.000 0.689 131 G HN 0.385 nan 8.290 nan 0.000 0.522 132 E N -0.097 120.168 120.200 0.109 0.000 2.231 132 E HA 0.605 4.958 4.350 0.005 0.000 0.277 132 E C 0.561 177.167 176.600 0.011 0.000 0.999 132 E CA -0.162 56.273 56.400 0.057 0.000 0.827 132 E CB 1.292 31.040 29.700 0.080 0.000 1.101 132 E HN 0.511 nan 8.360 nan 0.000 0.393 133 A N 4.597 127.389 122.820 -0.047 0.000 3.037 133 A HA 0.144 4.467 4.320 0.005 0.000 0.272 133 A C -0.130 177.385 177.584 -0.116 0.000 1.723 133 A CA -0.020 51.984 52.037 -0.055 0.000 1.413 133 A CB -0.354 18.619 19.000 -0.045 0.000 1.112 133 A HN 0.468 nan 8.150 nan 0.000 0.606 134 R N 0.974 121.378 120.500 -0.161 0.000 2.358 134 R HA 0.348 4.691 4.340 0.005 0.000 0.309 134 R C -0.186 175.998 176.300 -0.192 0.000 1.026 134 R CA -0.142 55.782 56.100 -0.294 0.000 0.909 134 R CB 1.106 30.977 30.300 -0.716 0.000 1.153 134 R HN 0.704 nan 8.270 nan 0.000 0.515 135 Q N 1.068 120.771 119.800 -0.161 0.000 2.140 135 Q HA 0.186 4.530 4.340 0.005 0.000 0.227 135 Q C -0.012 175.898 176.000 -0.150 0.000 0.798 135 Q CA 0.006 55.742 55.803 -0.112 0.000 0.987 135 Q CB 1.253 29.971 28.738 -0.033 0.000 1.161 135 Q HN 0.295 nan 8.270 nan 0.000 0.480 136 R N -0.028 120.348 120.500 -0.208 0.000 2.536 136 R HA 0.443 4.786 4.340 0.005 0.000 0.279 136 R C -0.868 175.231 176.300 -0.333 0.000 1.001 136 R CA -0.231 55.773 56.100 -0.161 0.000 1.027 136 R CB 0.909 31.128 30.300 -0.136 0.000 1.096 136 R HN -0.126 nan 8.270 nan 0.000 0.502 137 F N 1.181 121.071 119.950 -0.100 0.000 2.480 137 F HA 0.357 4.887 4.527 0.005 0.000 0.329 137 F C -0.192 175.515 175.800 -0.156 0.000 1.091 137 F CA -1.035 56.905 58.000 -0.101 0.000 0.972 137 F CB 1.403 40.342 39.000 -0.101 0.000 1.150 137 F HN 0.163 nan 8.300 nan 0.000 0.467 138 L N 2.618 123.881 121.223 0.067 0.000 2.305 138 L HA 0.672 5.015 4.340 0.005 0.000 0.284 138 L C -0.216 176.764 176.870 0.184 0.000 1.013 138 L CA 0.329 55.191 54.840 0.037 0.000 0.819 138 L CB 1.167 43.247 42.059 0.035 0.000 1.227 138 L HN 0.719 nan 8.230 nan 0.000 0.417 139 T N 3.496 118.146 114.554 0.159 0.000 2.573 139 T HA 0.626 4.979 4.350 0.005 0.000 0.259 139 T C -1.077 174.092 174.700 0.783 0.000 0.886 139 T CA -0.369 61.966 62.100 0.391 0.000 1.110 139 T CB 0.450 69.419 68.868 0.169 0.000 1.421 139 T HN 0.298 nan 8.240 nan 0.000 0.523 140 F N 0.664 120.692 119.950 0.129 0.000 2.561 140 F HA 0.620 5.150 4.527 0.005 0.000 0.321 140 F C 0.853 176.769 175.800 0.194 0.000 1.065 140 F CA -1.336 56.721 58.000 0.095 0.000 0.934 140 F CB 1.926 40.899 39.000 -0.045 0.000 1.215 140 F HN 0.326 nan 8.300 nan 0.000 0.471 141 R N 1.047 121.678 120.500 0.220 0.000 2.707 141 R HA 0.134 4.477 4.340 0.005 0.000 0.270 141 R C 0.376 176.747 176.300 0.117 0.000 1.083 141 R CA 0.028 56.227 56.100 0.164 0.000 1.182 141 R CB 0.157 30.488 30.300 0.053 0.000 1.084 141 R HN 0.781 nan 8.270 nan 0.000 0.528 142 N N -1.292 117.453 118.700 0.076 0.000 2.828 142 N HA -0.149 4.594 4.740 0.005 0.000 0.248 142 N C -0.086 175.475 175.510 0.086 0.000 1.044 142 N CA 1.105 54.190 53.050 0.059 0.000 0.851 142 N CB -0.820 37.688 38.487 0.035 0.000 1.136 142 N HN 0.803 nan 8.380 nan 0.000 0.572 143 G N -0.235 108.640 108.800 0.126 0.000 2.420 143 G HA2 0.429 4.392 3.960 0.005 0.000 0.284 143 G HA3 0.429 4.392 3.960 0.005 0.000 0.284 143 G C -1.079 173.838 174.900 0.027 0.000 1.177 143 G CA -0.133 44.998 45.100 0.052 0.000 0.841 143 G HN 0.241 nan 8.290 nan 0.000 0.527 144 Y N 0.169 120.279 120.300 -0.317 0.000 2.421 144 Y HA 0.515 5.068 4.550 0.005 0.000 0.339 144 Y C 0.086 175.707 175.900 -0.464 0.000 0.996 144 Y CA -0.979 56.982 58.100 -0.231 0.000 1.046 144 Y CB 1.903 40.311 38.460 -0.086 0.000 1.226 144 Y HN 0.688 nan 8.280 nan 0.000 0.445 145 H N 3.029 121.703 119.070 -0.660 0.000 3.398 145 H HA 0.558 5.117 4.556 0.005 0.000 0.260 145 H C 0.383 175.346 175.328 -0.609 0.000 1.189 145 H CA 0.076 55.830 56.048 -0.490 0.000 1.145 145 H CB 1.294 30.916 29.762 -0.233 0.000 1.599 145 H HN 0.936 nan 8.280 nan 0.000 0.615 146 G N 0.011 108.200 108.800 -1.018 0.000 2.361 146 G HA2 -0.112 3.851 3.960 0.005 0.000 0.331 146 G HA3 -0.112 3.851 3.960 0.005 0.000 0.331 146 G C -1.142 173.656 174.900 -0.170 0.000 1.324 146 G CA -0.375 44.463 45.100 -0.438 0.000 0.984 146 G HN 0.084 nan 8.290 nan 0.000 0.586 147 D N 0.062 120.476 120.400 0.023 0.000 2.433 147 D HA 0.198 4.841 4.640 0.005 0.000 0.211 147 D C 1.612 177.845 176.300 -0.112 0.000 1.114 147 D CA 1.088 55.123 54.000 0.058 0.000 0.837 147 D CB 0.587 41.470 40.800 0.138 0.000 0.984 147 D HN 0.729 nan 8.370 nan 0.000 0.505 148 T N -2.152 112.334 114.554 -0.113 0.000 2.828 148 T HA 0.204 4.557 4.350 0.005 0.000 0.290 148 T C 1.459 176.055 174.700 -0.175 0.000 1.019 148 T CA -0.588 61.414 62.100 -0.164 0.000 1.031 148 T CB 0.739 69.580 68.868 -0.044 0.000 1.001 148 T HN -0.165 nan 8.240 nan 0.000 0.531 149 F N 1.214 121.106 119.950 -0.097 0.000 2.063 149 F HA -0.061 4.469 4.527 0.004 0.000 0.298 149 F C 2.868 178.610 175.800 -0.097 0.000 1.109 149 F CA 1.937 59.867 58.000 -0.117 0.000 1.212 149 F CB -0.904 38.069 39.000 -0.046 0.000 0.973 149 F HN 0.813 nan 8.300 nan 0.000 0.480 150 G N -0.897 107.973 108.800 0.115 0.000 2.402 150 G HA2 -0.181 3.782 3.960 0.005 0.000 0.216 150 G HA3 -0.181 3.782 3.960 0.005 0.000 0.216 150 G C 1.798 176.660 174.900 -0.063 0.000 1.162 150 G CA 0.767 45.869 45.100 0.004 0.000 0.777 150 G HN 0.484 nan 8.290 nan 0.000 0.539 151 A N 0.675 123.459 122.820 -0.060 0.000 1.902 151 A HA 0.007 4.330 4.320 0.005 0.000 0.217 151 A C 2.448 180.027 177.584 -0.007 0.000 1.181 151 A CA 1.796 53.788 52.037 -0.074 0.000 0.623 151 A CB -0.374 18.571 19.000 -0.093 0.000 0.818 151 A HN 0.384 nan 8.150 nan 0.000 0.443 152 M N 0.507 120.110 119.600 0.005 0.000 2.213 152 M HA -0.143 4.340 4.480 0.005 0.000 0.263 152 M C 2.333 178.744 176.300 0.185 0.000 1.062 152 M CA 1.654 57.012 55.300 0.096 0.000 1.105 152 M CB -0.439 32.132 32.600 -0.048 0.000 1.385 152 M HN 0.658 nan 8.290 nan 0.000 0.417 153 S N 0.081 115.828 115.700 0.079 0.000 2.469 153 S HA -0.047 4.426 4.470 0.005 0.000 0.238 153 S C 1.300 176.051 174.600 0.252 0.000 0.998 153 S CA 0.999 59.262 58.200 0.104 0.000 0.957 153 S CB -0.775 62.442 63.200 0.030 0.000 0.764 153 S HN 0.470 nan 8.310 nan 0.000 0.514 154 V N -2.427 117.613 119.914 0.210 0.000 3.176 154 V HA 0.488 4.611 4.120 0.005 0.000 0.332 154 V C 0.496 176.881 176.094 0.486 0.000 1.414 154 V CA -1.196 61.255 62.300 0.252 0.000 1.133 154 V CB -1.386 30.409 31.823 -0.047 0.000 1.088 154 V HN 0.460 nan 8.190 nan 0.000 0.473 155 C N 1.431 121.017 119.300 0.477 0.000 2.443 155 C HA 0.464 4.927 4.460 0.005 0.000 0.369 155 C C 0.738 175.896 174.990 0.281 0.000 1.241 155 C CA -0.104 59.132 59.018 0.362 0.000 2.413 155 C CB 0.785 28.709 27.740 0.307 0.000 2.451 155 C HN 0.763 nan 8.230 nan 0.000 0.595 156 D N 1.834 122.314 120.400 0.133 0.000 2.487 156 D HA 0.066 4.709 4.640 0.005 0.000 0.243 156 D C -1.544 174.524 176.300 -0.387 0.000 1.154 156 D CA -0.577 53.369 54.000 -0.091 0.000 0.876 156 D CB 0.811 41.593 40.800 -0.030 0.000 1.161 156 D HN 0.260 nan 8.370 nan 0.000 0.478 157 P HA -0.088 nan 4.420 nan 0.000 0.219 157 P C 0.477 177.517 177.300 -0.434 0.000 1.150 157 P CA 0.786 63.327 63.100 -0.932 0.000 0.814 157 P CB 0.252 31.596 31.700 -0.594 0.000 0.787 158 D N -0.560 119.679 120.400 -0.268 0.000 2.085 158 D HA -0.106 4.537 4.640 0.005 0.000 0.199 158 D C 1.605 177.850 176.300 -0.091 0.000 0.981 158 D CA 1.026 54.944 54.000 -0.136 0.000 0.834 158 D CB -0.857 39.881 40.800 -0.102 0.000 0.992 158 D HN 0.061 nan 8.370 nan 0.000 0.457 159 N N 0.822 119.474 118.700 -0.080 0.000 2.132 159 N HA -0.107 4.636 4.740 0.005 0.000 0.191 159 N C 1.511 177.029 175.510 0.014 0.000 1.015 159 N CA 0.919 53.954 53.050 -0.024 0.000 0.864 159 N CB -0.267 38.217 38.487 -0.005 0.000 1.006 159 N HN 0.039 nan 8.380 nan 0.000 0.430 160 S N 0.049 115.753 115.700 0.007 0.000 2.540 160 S HA 0.283 4.756 4.470 0.005 0.000 0.218 160 S C 0.365 175.104 174.600 0.232 0.000 0.977 160 S CA -0.224 58.068 58.200 0.152 0.000 0.918 160 S CB 0.116 63.458 63.200 0.236 0.000 0.806 160 S HN 0.261 nan 8.310 nan 0.000 0.496 161 M N 1.107 120.765 119.600 0.096 0.000 2.450 161 M HA -0.216 4.267 4.480 0.005 0.000 0.192 161 M C 0.308 176.720 176.300 0.186 0.000 0.753 161 M CA 0.331 55.685 55.300 0.089 0.000 0.532 161 M CB -2.159 30.475 32.600 0.056 0.000 1.263 161 M HN 0.492 nan 8.290 nan 0.000 0.885 162 H N -0.292 118.860 119.070 0.138 0.000 2.489 162 H HA -0.112 4.447 4.556 0.005 0.000 0.293 162 H C 2.151 177.534 175.328 0.091 0.000 1.066 162 H CA 1.415 57.612 56.048 0.248 0.000 1.305 162 H CB 0.243 30.132 29.762 0.211 0.000 1.386 162 H HN 0.837 nan 8.280 nan 0.000 0.551 163 S N 0.915 116.672 115.700 0.095 0.000 2.419 163 S HA -0.162 4.311 4.470 0.005 0.000 0.235 163 S C 2.046 176.573 174.600 -0.121 0.000 1.019 163 S CA 0.764 58.968 58.200 0.006 0.000 0.982 163 S CB -0.613 62.579 63.200 -0.013 0.000 0.789 163 S HN 0.356 nan 8.310 nan 0.000 0.490 164 L N -0.961 120.045 121.223 -0.361 0.000 2.079 164 L HA -0.074 4.269 4.340 0.005 0.000 0.210 164 L C 1.978 178.511 176.870 -0.563 0.000 1.081 164 L CA 1.552 55.970 54.840 -0.702 0.000 0.752 164 L CB -0.504 40.703 42.059 -1.421 0.000 0.896 164 L HN 0.554 nan 8.230 nan 0.000 0.433 165 W N -1.379 120.000 121.300 0.132 0.000 2.862 165 W HA 0.267 4.930 4.660 0.004 0.000 0.376 165 W C 0.694 177.302 176.519 0.149 0.000 1.028 165 W CA -0.876 56.563 57.345 0.158 0.000 1.757 165 W CB -0.147 29.437 29.460 0.207 0.000 1.128 165 W HN -0.228 nan 8.180 nan 0.000 0.566 166 K N 1.649 122.188 120.400 0.232 0.000 2.473 166 K HA 0.218 4.541 4.320 0.005 0.000 0.277 166 K C 1.296 178.003 176.600 0.178 0.000 1.052 166 K CA 1.769 58.165 56.287 0.182 0.000 1.114 166 K CB 0.010 32.579 32.500 0.115 0.000 0.869 166 K HN 0.338 nan 8.250 nan 0.000 0.481 167 G N 3.393 112.292 108.800 0.165 0.000 2.284 167 G HA2 -0.321 3.642 3.960 0.005 0.000 0.216 167 G HA3 -0.321 3.642 3.960 0.005 0.000 0.216 167 G C 0.481 175.478 174.900 0.162 0.000 1.009 167 G CA 0.275 45.459 45.100 0.140 0.000 0.625 167 G HN 0.686 nan 8.290 nan 0.000 0.501 168 Y N 0.906 121.270 120.300 0.107 0.000 2.266 168 Y HA 0.586 5.139 4.550 0.005 0.000 0.294 168 Y C 1.616 177.527 175.900 0.019 0.000 1.127 168 Y CA 0.406 58.543 58.100 0.060 0.000 1.140 168 Y CB 0.071 38.599 38.460 0.114 0.000 1.071 168 Y HN 0.202 nan 8.280 nan 0.000 0.525 169 L N 3.000 124.319 121.223 0.160 0.000 2.426 169 L HA 0.185 4.528 4.340 0.005 0.000 0.271 169 L C -2.052 174.819 176.870 0.001 0.000 1.169 169 L CA -1.919 52.945 54.840 0.040 0.000 0.836 169 L CB 0.173 42.243 42.059 0.019 0.000 1.112 169 L HN 0.102 nan 8.230 nan 0.000 0.465 170 P HA 0.102 nan 4.420 nan 0.000 0.271 170 P C -1.108 176.239 177.300 0.078 0.000 1.216 170 P CA -0.256 62.853 63.100 0.015 0.000 0.776 170 P CB 0.465 32.176 31.700 0.018 0.000 0.881 171 E N 2.253 122.506 120.200 0.089 0.000 2.089 171 E HA 0.189 4.542 4.350 0.005 0.000 0.284 171 E C 0.115 176.787 176.600 0.120 0.000 1.023 171 E CA -0.424 56.064 56.400 0.147 0.000 0.819 171 E CB 0.417 30.195 29.700 0.130 0.000 1.076 171 E HN 0.372 nan 8.360 nan 0.000 0.396 172 N N 2.157 120.952 118.700 0.158 0.000 2.538 172 N HA 0.425 5.168 4.740 0.005 0.000 0.292 172 N C -0.524 174.894 175.510 -0.154 0.000 1.262 172 N CA -0.427 52.604 53.050 -0.032 0.000 0.976 172 N CB 0.795 39.212 38.487 -0.117 0.000 1.161 172 N HN 0.261 nan 8.380 nan 0.000 0.598 173 L N 1.035 122.055 121.223 -0.338 0.000 2.296 173 L HA 0.449 4.792 4.340 0.005 0.000 0.286 173 L C -0.926 175.689 176.870 -0.425 0.000 1.023 173 L CA -0.481 54.196 54.840 -0.273 0.000 0.812 173 L CB 0.568 42.470 42.059 -0.262 0.000 1.223 173 L HN 0.307 nan 8.230 nan 0.000 0.421 174 F N 2.264 122.233 119.950 0.030 0.000 2.382 174 F HA 0.566 5.096 4.527 0.005 0.000 0.361 174 F C 0.653 176.440 175.800 -0.021 0.000 1.109 174 F CA -0.554 57.475 58.000 0.049 0.000 1.031 174 F CB 1.456 40.491 39.000 0.057 0.000 1.234 174 F HN 0.474 nan 8.300 nan 0.000 0.445 175 A N 4.911 127.747 122.820 0.027 0.000 2.304 175 A HA 0.696 5.019 4.320 0.005 0.000 0.271 175 A C -2.418 175.064 177.584 -0.170 0.000 1.091 175 A CA -1.619 50.339 52.037 -0.133 0.000 0.812 175 A CB 0.006 18.815 19.000 -0.318 0.000 1.056 175 A HN 0.391 nan 8.150 nan 0.000 0.489 176 P HA 0.230 nan 4.420 nan 0.000 0.269 176 P C -0.178 176.990 177.300 -0.220 0.000 1.217 176 P CA 0.212 63.248 63.100 -0.107 0.000 0.783 176 P CB 0.344 32.017 31.700 -0.045 0.000 0.898 177 A N 3.687 126.433 122.820 -0.123 0.000 2.511 177 A HA 0.307 4.630 4.320 0.005 0.000 0.242 177 A C -2.010 175.456 177.584 -0.198 0.000 1.069 177 A CA -0.877 51.078 52.037 -0.138 0.000 0.763 177 A CB -1.467 17.500 19.000 -0.054 0.000 1.001 177 A HN 0.401 nan 8.150 nan 0.000 0.498 178 P HA 0.123 nan 4.420 nan 0.000 0.267 178 P C 0.032 177.332 177.300 -0.000 0.000 1.205 178 P CA 0.193 63.075 63.100 -0.363 0.000 0.765 178 P CB 0.604 31.672 31.700 -1.054 0.000 0.828 179 Q N 0.552 120.453 119.800 0.168 0.000 2.324 179 Q HA 0.072 4.415 4.340 0.005 0.000 0.207 179 Q C 0.228 176.334 176.000 0.177 0.000 0.928 179 Q CA 0.450 56.328 55.803 0.125 0.000 0.890 179 Q CB 0.045 28.822 28.738 0.065 0.000 1.001 179 Q HN 0.435 nan 8.270 nan 0.000 0.517 180 S N 1.835 117.693 115.700 0.263 0.000 2.525 180 S HA 0.112 4.585 4.470 0.005 0.000 0.285 180 S C -0.041 174.789 174.600 0.384 0.000 1.283 180 S CA 0.043 58.411 58.200 0.281 0.000 1.072 180 S CB 0.427 63.813 63.200 0.310 0.000 0.867 180 S HN 0.176 nan 8.310 nan 0.000 0.492 181 R N 1.677 122.344 120.500 0.279 0.000 2.531 181 R HA 0.203 4.546 4.340 0.005 0.000 0.273 181 R C 1.437 177.872 176.300 0.226 0.000 1.070 181 R CA -0.616 55.621 56.100 0.229 0.000 1.112 181 R CB 0.194 30.578 30.300 0.139 0.000 1.049 181 R HN 0.605 nan 8.270 nan 0.000 0.508 182 M N 1.391 121.051 119.600 0.099 0.000 2.296 182 M HA -0.120 4.363 4.480 0.005 0.000 0.265 182 M C 0.749 177.025 176.300 -0.039 0.000 1.064 182 M CA 1.873 57.142 55.300 -0.051 0.000 1.109 182 M CB -0.044 32.474 32.600 -0.137 0.000 1.396 182 M HN 0.541 nan 8.290 nan 0.000 0.430 183 D N 0.173 120.586 120.400 0.021 0.000 2.117 183 D HA 0.022 4.665 4.640 0.005 0.000 0.198 183 D C 1.290 177.633 176.300 0.073 0.000 0.982 183 D CA 1.454 55.474 54.000 0.032 0.000 0.828 183 D CB -0.346 40.477 40.800 0.038 0.000 0.967 183 D HN 0.497 nan 8.370 nan 0.000 0.464 184 G N -0.334 108.540 108.800 0.124 0.000 2.695 184 G HA2 0.461 4.424 3.960 0.005 0.000 0.213 184 G HA3 0.461 4.424 3.960 0.005 0.000 0.213 184 G C -0.043 175.004 174.900 0.245 0.000 1.406 184 G CA 0.214 45.405 45.100 0.151 0.000 1.049 184 G HN 0.269 nan 8.290 nan 0.000 0.573 185 E N -1.009 119.311 120.200 0.199 0.000 2.280 185 E HA 0.458 4.811 4.350 0.005 0.000 0.264 185 E C -0.690 176.028 176.600 0.196 0.000 1.064 185 E CA -1.038 55.480 56.400 0.196 0.000 0.900 185 E CB 0.950 30.713 29.700 0.104 0.000 1.123 185 E HN 0.571 nan 8.360 nan 0.000 0.418 186 W N 2.002 123.226 121.300 -0.127 0.000 2.365 186 W HA 0.480 5.143 4.660 0.005 0.000 0.316 186 W C -1.212 175.221 176.519 -0.142 0.000 1.164 186 W CA -0.202 56.974 57.345 -0.282 0.000 1.204 186 W CB 1.123 30.294 29.460 -0.481 0.000 1.213 186 W HN 0.676 nan 8.180 nan 0.000 0.539 187 D N 3.523 123.338 120.400 -0.974 0.000 2.492 187 D HA 0.107 4.750 4.640 0.005 0.000 0.248 187 D C 0.628 176.081 176.300 -1.411 0.000 1.101 187 D CA -0.210 53.263 54.000 -0.878 0.000 0.840 187 D CB 1.697 42.234 40.800 -0.438 0.000 1.209 187 D HN 0.458 nan 8.370 nan 0.000 0.524 188 E N 2.167 121.860 120.200 -0.846 0.000 2.418 188 E HA -0.072 4.281 4.350 0.005 0.000 0.197 188 E C 1.512 177.919 176.600 -0.320 0.000 1.026 188 E CA 0.174 56.299 56.400 -0.459 0.000 0.862 188 E CB 0.287 29.949 29.700 -0.064 0.000 0.799 188 E HN 0.453 nan 8.360 nan 0.000 0.518 189 R N 0.854 121.171 120.500 -0.304 0.000 2.152 189 R HA -0.144 4.199 4.340 0.005 0.000 0.232 189 R C 1.723 177.927 176.300 -0.160 0.000 1.117 189 R CA 0.997 56.991 56.100 -0.177 0.000 0.981 189 R CB -0.005 30.210 30.300 -0.141 0.000 0.870 189 R HN 0.082 nan 8.270 nan 0.000 0.451 190 D N 0.115 120.340 120.400 -0.290 0.000 2.203 190 D HA -0.201 4.442 4.640 0.005 0.000 0.199 190 D C 1.599 177.923 176.300 0.039 0.000 0.997 190 D CA 1.172 55.100 54.000 -0.121 0.000 0.863 190 D CB 0.118 40.686 40.800 -0.386 0.000 0.928 190 D HN 0.137 nan 8.370 nan 0.000 0.458 191 M N -0.078 119.437 119.600 -0.142 0.000 2.349 191 M HA -0.051 4.432 4.480 0.005 0.000 0.266 191 M C 2.374 178.763 176.300 0.149 0.000 1.076 191 M CA 0.370 55.661 55.300 -0.015 0.000 1.126 191 M CB -0.911 31.661 32.600 -0.048 0.000 1.392 191 M HN 0.048 nan 8.290 nan 0.000 0.440 192 V N 0.050 120.014 119.914 0.082 0.000 2.231 192 V HA -0.162 3.961 4.120 0.005 0.000 0.248 192 V C 2.170 178.331 176.094 0.112 0.000 1.054 192 V CA 2.606 64.954 62.300 0.079 0.000 1.015 192 V CB -1.816 30.027 31.823 0.033 0.000 0.638 192 V HN 0.399 nan 8.190 nan 0.000 0.444 193 G N -0.638 108.231 108.800 0.115 0.000 2.631 193 G HA2 -0.413 3.550 3.960 0.005 0.000 0.219 193 G HA3 -0.413 3.550 3.960 0.005 0.000 0.219 193 G C 1.540 176.513 174.900 0.120 0.000 1.214 193 G CA 1.546 46.706 45.100 0.099 0.000 0.785 193 G HN 0.669 nan 8.290 nan 0.000 0.596 194 F N 2.462 122.447 119.950 0.058 0.000 2.091 194 F HA -0.088 4.442 4.527 0.005 0.000 0.299 194 F C 2.885 178.742 175.800 0.095 0.000 1.103 194 F CA 1.856 59.903 58.000 0.078 0.000 1.228 194 F CB -0.373 38.772 39.000 0.240 0.000 0.984 194 F HN 0.247 nan 8.300 nan 0.000 0.477 195 A N 0.227 123.190 122.820 0.238 0.000 1.902 195 A HA -0.204 4.119 4.320 0.005 0.000 0.217 195 A C 2.344 179.930 177.584 0.003 0.000 1.181 195 A CA 1.675 53.784 52.037 0.121 0.000 0.623 195 A CB -0.866 18.221 19.000 0.145 0.000 0.818 195 A HN 0.488 nan 8.150 nan 0.000 0.443 196 R N -0.343 120.164 120.500 0.012 0.000 2.073 196 R HA -0.069 4.274 4.340 0.005 0.000 0.234 196 R C 1.963 178.242 176.300 -0.035 0.000 1.134 196 R CA 1.611 57.706 56.100 -0.009 0.000 0.952 196 R CB -0.413 29.893 30.300 0.010 0.000 0.850 196 R HN 0.500 nan 8.270 nan 0.000 0.433 197 L N 0.195 121.387 121.223 -0.051 0.000 2.046 197 L HA -0.184 4.159 4.340 0.005 0.000 0.208 197 L C 2.682 179.518 176.870 -0.057 0.000 1.077 197 L CA 1.182 56.011 54.840 -0.018 0.000 0.747 197 L CB -0.304 41.696 42.059 -0.098 0.000 0.896 197 L HN 0.324 nan 8.230 nan 0.000 0.432 198 M N -0.031 119.437 119.600 -0.219 0.000 2.117 198 M HA -0.140 4.343 4.480 0.005 0.000 0.262 198 M C 2.246 178.458 176.300 -0.147 0.000 1.065 198 M CA 2.042 57.215 55.300 -0.212 0.000 1.114 198 M CB -0.430 32.023 32.600 -0.245 0.000 1.361 198 M HN 0.169 nan 8.290 nan 0.000 0.408 199 A N -0.265 122.482 122.820 -0.121 0.000 1.902 199 A HA 0.028 4.351 4.320 0.005 0.000 0.217 199 A C 2.333 179.805 177.584 -0.187 0.000 1.181 199 A CA 2.068 54.029 52.037 -0.128 0.000 0.623 199 A CB -1.404 17.546 19.000 -0.083 0.000 0.818 199 A HN 0.653 nan 8.150 nan 0.000 0.443 200 A N -1.771 120.920 122.820 -0.216 0.000 2.067 200 A HA 0.054 4.377 4.320 0.005 0.000 0.217 200 A C 1.444 178.640 177.584 -0.647 0.000 1.156 200 A CA 1.526 53.313 52.037 -0.418 0.000 0.683 200 A CB -0.434 18.269 19.000 -0.495 0.000 0.808 200 A HN 0.697 nan 8.150 nan 0.000 0.455 201 H N -1.769 117.216 119.070 -0.141 0.000 3.052 201 H HA 0.139 4.698 4.556 0.005 0.000 0.257 201 H C 1.614 176.826 175.328 -0.194 0.000 1.193 201 H CA 0.158 56.124 56.048 -0.137 0.000 1.072 201 H CB 0.264 29.957 29.762 -0.115 0.000 1.685 201 H HN 0.601 nan 8.280 nan 0.000 0.630 202 R N 0.094 120.468 120.500 -0.209 0.000 2.133 202 R HA -0.212 4.131 4.340 0.005 0.000 0.247 202 R C 0.562 176.710 176.300 -0.253 0.000 1.151 202 R CA 2.155 58.093 56.100 -0.270 0.000 0.971 202 R CB -0.790 29.278 30.300 -0.386 0.000 0.866 202 R HN 0.501 nan 8.270 nan 0.000 0.447 203 H N 0.461 119.472 119.070 -0.099 0.000 2.529 203 H HA 0.006 4.565 4.556 0.005 0.000 0.277 203 H C 1.126 176.352 175.328 -0.170 0.000 0.999 203 H CA 1.205 57.175 56.048 -0.130 0.000 1.256 203 H CB 0.238 29.942 29.762 -0.096 0.000 1.402 203 H HN 0.650 nan 8.280 nan 0.000 0.566 204 E N 0.587 120.758 120.200 -0.049 0.000 2.511 204 E HA 0.135 4.488 4.350 0.005 0.000 0.209 204 E C -0.093 176.381 176.600 -0.211 0.000 0.986 204 E CA -0.097 56.237 56.400 -0.110 0.000 0.974 204 E CB 0.617 30.298 29.700 -0.033 0.000 1.030 204 E HN 0.311 nan 8.360 nan 0.000 0.490 205 I N 2.176 122.608 120.570 -0.229 0.000 2.436 205 I HA 0.078 4.251 4.170 0.005 0.000 0.289 205 I C 1.134 177.012 176.117 -0.397 0.000 1.083 205 I CA -0.265 60.875 61.300 -0.267 0.000 1.372 205 I CB 1.360 39.256 38.000 -0.174 0.000 1.408 205 I HN 0.153 nan 8.210 nan 0.000 0.516 206 A N 5.688 128.241 122.820 -0.444 0.000 1.930 206 A HA 0.511 4.834 4.320 0.005 0.000 0.215 206 A C 1.001 178.574 177.584 -0.018 0.000 1.176 206 A CA 1.182 53.004 52.037 -0.359 0.000 0.632 206 A CB 0.077 18.847 19.000 -0.383 0.000 0.819 206 A HN 0.793 nan 8.150 nan 0.000 0.445 207 A N -2.269 120.432 122.820 -0.198 0.000 2.601 207 A HA 0.557 4.881 4.320 0.005 0.000 0.291 207 A C -1.305 176.327 177.584 0.081 0.000 1.075 207 A CA -0.350 51.701 52.037 0.024 0.000 0.671 207 A CB 0.513 19.580 19.000 0.112 0.000 1.277 207 A HN 0.449 nan 8.150 nan 0.000 0.417 208 V N 1.388 121.381 119.914 0.131 0.000 2.472 208 V HA 0.631 4.754 4.120 0.005 0.000 0.290 208 V C -0.300 175.851 176.094 0.095 0.000 1.037 208 V CA -0.282 62.114 62.300 0.159 0.000 0.908 208 V CB 1.385 33.334 31.823 0.211 0.000 0.985 208 V HN 0.767 nan 8.190 nan 0.000 0.454 209 I N 6.862 127.464 120.570 0.053 0.000 2.533 209 I HA 0.753 4.926 4.170 0.005 0.000 0.290 209 I C -0.923 175.129 176.117 -0.109 0.000 1.056 209 I CA -0.506 60.749 61.300 -0.076 0.000 1.057 209 I CB 1.365 39.240 38.000 -0.208 0.000 1.240 209 I HN 0.764 nan 8.210 nan 0.000 0.423 210 I N 2.398 122.917 120.570 -0.085 0.000 3.149 210 I HA 0.515 4.688 4.170 0.005 0.000 0.310 210 I C -1.621 174.573 176.117 0.128 0.000 1.343 210 I CA -0.912 60.376 61.300 -0.021 0.000 0.955 210 I CB 2.296 40.086 38.000 -0.350 0.000 1.309 210 I HN 0.485 nan 8.210 nan 0.000 0.478 211 E N 3.867 124.161 120.200 0.156 0.000 2.167 211 E HA 0.389 4.742 4.350 0.005 0.000 0.284 211 E C -2.476 174.215 176.600 0.152 0.000 1.016 211 E CA -1.772 54.710 56.400 0.138 0.000 0.817 211 E CB 1.123 30.889 29.700 0.110 0.000 1.080 211 E HN 0.372 nan 8.360 nan 0.000 0.397 212 P HA 0.031 nan 4.420 nan 0.000 0.281 212 P C 0.645 177.886 177.300 -0.099 0.000 1.252 212 P CA -0.115 63.022 63.100 0.060 0.000 0.778 212 P CB 0.876 32.598 31.700 0.038 0.000 0.895 213 I N 0.444 120.724 120.570 -0.483 0.000 4.473 213 I HA -0.289 3.884 4.170 0.005 0.000 0.062 213 I C 0.486 176.238 176.117 -0.609 0.000 0.603 213 I CA 1.551 62.354 61.300 -0.828 0.000 0.966 213 I CB -2.178 35.590 38.000 -0.385 0.000 0.870 213 I HN 0.180 nan 8.210 nan 0.000 0.168 214 V N 3.430 123.234 119.914 -0.183 0.000 2.398 214 V HA 0.354 4.477 4.120 0.005 0.000 0.286 214 V C 0.365 176.514 176.094 0.093 0.000 1.026 214 V CA -0.457 61.828 62.300 -0.025 0.000 0.868 214 V CB 1.528 33.359 31.823 0.013 0.000 0.982 214 V HN 0.268 nan 8.190 nan 0.000 0.443 215 Q N 3.182 123.065 119.800 0.139 0.000 2.421 215 Q HA 0.377 4.720 4.340 0.005 0.000 0.242 215 Q C 1.051 177.103 176.000 0.086 0.000 1.024 215 Q CA -0.050 55.831 55.803 0.130 0.000 0.891 215 Q CB 1.732 30.551 28.738 0.135 0.000 1.222 215 Q HN 0.952 nan 8.270 nan 0.000 0.483 216 G N 1.762 110.641 108.800 0.133 0.000 2.752 216 G HA2 -0.176 3.787 3.960 0.005 0.000 0.209 216 G HA3 -0.176 3.787 3.960 0.005 0.000 0.209 216 G C 1.155 176.041 174.900 -0.023 0.000 1.392 216 G CA 0.677 45.840 45.100 0.104 0.000 0.873 216 G HN 0.653 nan 8.290 nan 0.000 0.586 217 A N 0.149 122.982 122.820 0.022 0.000 2.131 217 A HA 0.154 4.477 4.320 0.005 0.000 0.220 217 A C 2.320 179.874 177.584 -0.050 0.000 1.158 217 A CA 1.985 53.903 52.037 -0.199 0.000 0.665 217 A CB -0.673 17.973 19.000 -0.590 0.000 0.795 217 A HN 0.787 nan 8.150 nan 0.000 0.460 218 G N -2.313 106.505 108.800 0.031 0.000 3.233 218 G HA2 0.403 4.366 3.960 0.005 0.000 0.227 218 G HA3 0.403 4.366 3.960 0.005 0.000 0.227 218 G C 0.799 175.718 174.900 0.033 0.000 1.175 218 G CA 0.616 45.745 45.100 0.049 0.000 0.781 218 G HN 1.467 nan 8.290 nan 0.000 0.542 219 G N -0.793 108.021 108.800 0.023 0.000 2.870 219 G HA2 -0.112 3.851 3.960 0.005 0.000 0.216 219 G HA3 -0.112 3.851 3.960 0.005 0.000 0.216 219 G C 0.600 175.456 174.900 -0.073 0.000 0.973 219 G CA -0.048 45.026 45.100 -0.043 0.000 0.807 219 G HN 0.303 nan 8.290 nan 0.000 0.573 220 M N 0.185 119.737 119.600 -0.080 0.000 2.249 220 M HA -0.143 4.340 4.480 0.005 0.000 0.198 220 M C 0.490 176.763 176.300 -0.044 0.000 0.394 220 M CA 0.803 56.030 55.300 -0.121 0.000 0.427 220 M CB -1.933 30.534 32.600 -0.221 0.000 1.307 220 M HN 0.598 nan 8.290 nan 0.000 0.924 221 R N -0.081 120.426 120.500 0.012 0.000 2.410 221 R HA 0.665 5.008 4.340 0.005 0.000 0.288 221 R C 0.308 176.658 176.300 0.084 0.000 1.051 221 R CA -0.182 55.954 56.100 0.060 0.000 1.021 221 R CB 0.883 31.242 30.300 0.099 0.000 1.032 221 R HN 0.369 nan 8.270 nan 0.000 0.481 222 M N 4.122 123.769 119.600 0.078 0.000 2.022 222 M HA 0.270 4.753 4.480 0.005 0.000 0.298 222 M C -1.274 175.081 176.300 0.093 0.000 0.909 222 M CA -0.740 54.570 55.300 0.016 0.000 0.914 222 M CB 1.109 33.696 32.600 -0.023 0.000 1.486 222 M HN 0.544 nan 8.290 nan 0.000 0.415 223 Y N -0.983 119.352 120.300 0.059 0.000 2.568 223 Y HA 0.595 5.148 4.550 0.005 0.000 0.327 223 Y C -0.054 175.965 175.900 0.199 0.000 1.163 223 Y CA -1.242 56.950 58.100 0.152 0.000 1.219 223 Y CB 0.593 39.141 38.460 0.147 0.000 1.308 223 Y HN 0.450 nan 8.280 nan 0.000 0.503 224 H N 2.670 122.048 119.070 0.513 0.000 2.803 224 H HA 0.143 4.703 4.556 0.005 0.000 0.330 224 H C -1.901 173.648 175.328 0.367 0.000 1.057 224 H CA -1.908 54.379 56.048 0.398 0.000 1.458 224 H CB 1.753 31.848 29.762 0.555 0.000 1.470 224 H HN 0.517 nan 8.280 nan 0.000 0.560 225 P HA -0.127 nan 4.420 nan 0.000 0.225 225 P C 1.212 178.661 177.300 0.248 0.000 1.148 225 P CA 0.912 64.097 63.100 0.141 0.000 0.779 225 P CB 0.390 32.081 31.700 -0.016 0.000 0.780 226 E N -1.099 119.330 120.200 0.381 0.000 2.153 226 E HA -0.186 4.167 4.350 0.005 0.000 0.194 226 E C 1.696 178.134 176.600 -0.271 0.000 0.988 226 E CA 1.240 57.493 56.400 -0.245 0.000 0.811 226 E CB -0.965 28.089 29.700 -1.077 0.000 0.746 226 E HN 0.243 nan 8.360 nan 0.000 0.466 227 W N 0.432 121.734 121.300 0.003 0.000 2.318 227 W HA -0.198 4.465 4.660 0.005 0.000 0.313 227 W C 2.047 178.606 176.519 0.066 0.000 1.221 227 W CA 1.369 58.805 57.345 0.152 0.000 1.266 227 W CB -0.284 29.412 29.460 0.393 0.000 1.150 227 W HN 0.124 nan 8.180 nan 0.000 0.496 228 L N -0.152 121.298 121.223 0.378 0.000 2.083 228 L HA -0.226 4.117 4.340 0.005 0.000 0.209 228 L C 2.391 179.317 176.870 0.093 0.000 1.083 228 L CA 1.315 56.276 54.840 0.202 0.000 0.752 228 L CB -0.876 41.276 42.059 0.156 0.000 0.899 228 L HN -0.031 nan 8.230 nan 0.000 0.433 229 K N -0.243 120.179 120.400 0.037 0.000 2.032 229 K HA -0.168 4.155 4.320 0.005 0.000 0.209 229 K C 2.415 178.990 176.600 -0.041 0.000 1.048 229 K CA 1.202 57.473 56.287 -0.027 0.000 0.927 229 K CB 0.076 32.523 32.500 -0.088 0.000 0.712 229 K HN 0.118 nan 8.250 nan 0.000 0.441 230 R N 0.508 120.957 120.500 -0.086 0.000 2.073 230 R HA -0.098 4.245 4.340 0.005 0.000 0.234 230 R C 2.326 178.638 176.300 0.021 0.000 1.134 230 R CA 1.338 57.392 56.100 -0.076 0.000 0.952 230 R CB -0.709 29.483 30.300 -0.181 0.000 0.850 230 R HN 0.334 nan 8.270 nan 0.000 0.433 231 I N 0.512 121.118 120.570 0.060 0.000 2.226 231 I HA -0.264 3.909 4.170 0.005 0.000 0.245 231 I C 2.668 178.845 176.117 0.100 0.000 1.100 231 I CA 1.121 62.471 61.300 0.083 0.000 1.374 231 I CB -0.254 37.775 38.000 0.048 0.000 1.057 231 I HN 0.053 nan 8.210 nan 0.000 0.413 232 R N 1.625 122.164 120.500 0.065 0.000 2.105 232 R HA -0.188 4.155 4.340 0.005 0.000 0.239 232 R C 2.052 178.386 176.300 0.056 0.000 1.135 232 R CA 1.738 57.869 56.100 0.052 0.000 0.967 232 R CB -0.250 30.068 30.300 0.029 0.000 0.861 232 R HN 0.186 nan 8.270 nan 0.000 0.442 233 K N -0.283 120.147 120.400 0.050 0.000 2.007 233 K HA 0.015 4.338 4.320 0.005 0.000 0.206 233 K C 2.038 178.685 176.600 0.077 0.000 1.047 233 K CA 1.763 58.079 56.287 0.049 0.000 0.937 233 K CB -0.196 32.319 32.500 0.026 0.000 0.718 233 K HN 0.118 nan 8.250 nan 0.000 0.438 234 I N 0.737 121.374 120.570 0.112 0.000 2.151 234 I HA -0.446 3.727 4.170 0.005 0.000 0.243 234 I C 2.355 178.557 176.117 0.143 0.000 1.080 234 I CA 1.181 62.573 61.300 0.153 0.000 1.339 234 I CB -0.368 37.793 38.000 0.269 0.000 1.039 234 I HN 0.318 nan 8.210 nan 0.000 0.409 235 C N 0.499 119.892 119.300 0.155 0.000 2.413 235 C HA -0.189 4.274 4.460 0.005 0.000 0.276 235 C C 2.485 177.540 174.990 0.108 0.000 1.248 235 C CA 0.883 59.983 59.018 0.136 0.000 1.742 235 C CB -1.094 26.723 27.740 0.127 0.000 2.017 235 C HN 0.534 nan 8.230 nan 0.000 0.481 236 D N 0.198 120.649 120.400 0.086 0.000 2.104 236 D HA -0.127 4.516 4.640 0.005 0.000 0.194 236 D C 2.341 178.685 176.300 0.074 0.000 0.994 236 D CA 1.294 55.336 54.000 0.070 0.000 0.830 236 D CB -0.420 40.410 40.800 0.050 0.000 0.959 236 D HN 0.324 nan 8.370 nan 0.000 0.452 237 R N 0.554 121.096 120.500 0.071 0.000 2.075 237 R HA -0.025 4.318 4.340 0.005 0.000 0.232 237 R C 1.810 178.151 176.300 0.067 0.000 1.126 237 R CA 0.958 57.096 56.100 0.063 0.000 0.963 237 R CB 0.005 30.339 30.300 0.057 0.000 0.858 237 R HN 0.121 nan 8.270 nan 0.000 0.435 238 E N -1.255 118.990 120.200 0.075 0.000 2.478 238 E HA 0.120 4.473 4.350 0.005 0.000 0.194 238 E C 0.795 177.453 176.600 0.096 0.000 1.045 238 E CA 0.772 57.210 56.400 0.063 0.000 0.868 238 E CB 0.553 30.276 29.700 0.038 0.000 0.885 238 E HN 0.490 nan 8.360 nan 0.000 0.505 239 G N 1.895 110.778 108.800 0.137 0.000 2.136 239 G HA2 -0.287 3.676 3.960 0.005 0.000 0.242 239 G HA3 -0.287 3.676 3.960 0.005 0.000 0.242 239 G C 0.297 175.402 174.900 0.340 0.000 0.989 239 G CA 0.271 45.508 45.100 0.227 0.000 0.682 239 G HN 0.244 nan 8.290 nan 0.000 0.522 240 I N 0.842 121.550 120.570 0.230 0.000 2.440 240 I HA 0.405 4.578 4.170 0.005 0.000 0.294 240 I C 1.133 177.378 176.117 0.213 0.000 0.995 240 I CA -0.974 60.479 61.300 0.255 0.000 1.306 240 I CB 1.177 39.250 38.000 0.121 0.000 1.407 240 I HN -0.055 nan 8.210 nan 0.000 0.501 241 L N 5.689 127.051 121.223 0.231 0.000 2.397 241 L HA 0.248 4.591 4.340 0.005 0.000 0.271 241 L C -0.371 176.534 176.870 0.060 0.000 1.148 241 L CA -0.425 54.454 54.840 0.064 0.000 0.825 241 L CB 0.854 42.894 42.059 -0.032 0.000 1.117 241 L HN 0.403 nan 8.230 nan 0.000 0.456 242 L N 4.709 125.939 121.223 0.013 0.000 2.287 242 L HA 0.524 4.867 4.340 0.005 0.000 0.287 242 L C -0.542 176.313 176.870 -0.024 0.000 1.022 242 L CA 0.109 54.958 54.840 0.015 0.000 0.814 242 L CB 1.178 43.245 42.059 0.014 0.000 1.217 242 L HN 0.341 nan 8.230 nan 0.000 0.420 243 I N 5.309 125.868 120.570 -0.019 0.000 2.321 243 I HA 0.580 4.753 4.170 0.005 0.000 0.291 243 I C 0.061 176.139 176.117 -0.065 0.000 0.998 243 I CA -0.452 60.815 61.300 -0.054 0.000 1.227 243 I CB 1.668 39.636 38.000 -0.054 0.000 1.368 243 I HN 0.807 nan 8.210 nan 0.000 0.466 244 A N 4.751 127.528 122.820 -0.070 0.000 2.271 244 A HA 0.366 4.689 4.320 0.005 0.000 0.317 244 A C -0.632 176.925 177.584 -0.045 0.000 1.245 244 A CA -0.495 51.512 52.037 -0.051 0.000 0.857 244 A CB 0.527 19.494 19.000 -0.054 0.000 1.175 244 A HN 0.652 nan 8.150 nan 0.000 0.512 245 D N 2.553 122.957 120.400 0.006 0.000 2.441 245 D HA 0.160 4.803 4.640 0.005 0.000 0.221 245 D C 0.158 176.477 176.300 0.033 0.000 1.156 245 D CA 0.108 54.130 54.000 0.037 0.000 0.896 245 D CB 0.562 41.470 40.800 0.179 0.000 1.028 245 D HN 0.561 nan 8.370 nan 0.000 0.509 246 E N 3.613 123.807 120.200 -0.009 0.000 2.496 246 E HA 0.107 4.460 4.350 0.005 0.000 0.202 246 E C 1.527 178.114 176.600 -0.021 0.000 1.021 246 E CA -0.207 56.188 56.400 -0.007 0.000 1.015 246 E CB 0.574 30.267 29.700 -0.011 0.000 1.102 246 E HN 0.621 nan 8.360 nan 0.000 0.452 247 I N 0.832 121.386 120.570 -0.027 0.000 2.286 247 I HA -0.265 3.908 4.170 0.005 0.000 0.248 247 I C 2.292 178.330 176.117 -0.133 0.000 1.115 247 I CA 1.317 62.584 61.300 -0.054 0.000 1.392 247 I CB 0.021 37.986 38.000 -0.058 0.000 1.065 247 I HN 0.127 nan 8.210 nan 0.000 0.418 248 A N -0.054 122.665 122.820 -0.167 0.000 2.014 248 A HA -0.055 4.268 4.320 0.005 0.000 0.210 248 A C 2.275 179.793 177.584 -0.111 0.000 1.188 248 A CA 1.171 53.023 52.037 -0.307 0.000 0.731 248 A CB -0.622 18.127 19.000 -0.418 0.000 0.858 248 A HN 0.434 nan 8.150 nan 0.000 0.464 249 T N -2.454 112.086 114.554 -0.024 0.000 3.054 249 T HA 0.294 4.647 4.350 0.005 0.000 0.259 249 T C 1.205 175.889 174.700 -0.026 0.000 1.092 249 T CA 0.505 62.614 62.100 0.015 0.000 1.121 249 T CB -0.513 68.376 68.868 0.036 0.000 0.912 249 T HN 0.410 nan 8.240 nan 0.000 0.489 250 G N 0.447 109.217 108.800 -0.051 0.000 2.664 250 G HA2 0.379 4.342 3.960 0.005 0.000 0.242 250 G HA3 0.379 4.342 3.960 0.005 0.000 0.242 250 G C -0.270 174.450 174.900 -0.299 0.000 1.225 250 G CA -0.741 44.228 45.100 -0.219 0.000 0.849 250 G HN 0.484 nan 8.290 nan 0.000 0.581 251 F N -0.852 118.780 119.950 -0.529 0.000 3.040 251 F HA -0.210 4.320 4.527 0.005 0.000 0.298 251 F C 1.756 177.229 175.800 -0.545 0.000 0.948 251 F CA 1.109 58.758 58.000 -0.586 0.000 1.022 251 F CB -1.426 37.372 39.000 -0.336 0.000 1.023 251 F HN 1.573 nan 8.300 nan 0.000 0.742 252 G N -1.232 107.197 108.800 -0.619 0.000 2.199 252 G HA2 -0.139 3.824 3.960 0.005 0.000 0.254 252 G HA3 -0.139 3.824 3.960 0.005 0.000 0.254 252 G C 1.117 175.928 174.900 -0.148 0.000 0.982 252 G CA 0.519 45.211 45.100 -0.680 0.000 0.632 252 G HN 1.488 nan 8.290 nan 0.000 0.529 253 A N 0.271 123.098 122.820 0.013 0.000 1.940 253 A HA 0.161 4.484 4.320 0.005 0.000 0.219 253 A C 2.418 180.063 177.584 0.102 0.000 1.176 253 A CA 2.924 55.043 52.037 0.137 0.000 0.631 253 A CB -0.747 18.341 19.000 0.147 0.000 0.814 253 A HN 1.658 nan 8.150 nan 0.000 0.446 254 T N -4.887 109.721 114.554 0.089 0.000 3.163 254 T HA 0.446 4.799 4.350 0.005 0.000 0.252 254 T C 1.230 176.062 174.700 0.220 0.000 1.056 254 T CA 0.952 63.140 62.100 0.146 0.000 0.947 254 T CB 0.149 69.122 68.868 0.175 0.000 1.016 254 T HN 1.687 nan 8.240 nan 0.000 0.554 255 G N 1.016 109.919 108.800 0.172 0.000 2.234 255 G HA2 -0.191 3.772 3.960 0.005 0.000 0.235 255 G HA3 -0.191 3.772 3.960 0.005 0.000 0.235 255 G C -0.022 175.009 174.900 0.218 0.000 0.997 255 G CA -0.066 45.151 45.100 0.196 0.000 0.623 255 G HN 0.646 nan 8.290 nan 0.000 0.514 256 K N -0.510 119.955 120.400 0.108 0.000 2.281 256 K HA 0.640 4.963 4.320 0.005 0.000 0.242 256 K C 0.934 177.496 176.600 -0.064 0.000 0.971 256 K CA -0.838 55.474 56.287 0.041 0.000 0.834 256 K CB 2.148 34.476 32.500 -0.287 0.000 1.181 256 K HN 0.042 nan 8.250 nan 0.000 0.435 257 L N 1.019 122.183 121.223 -0.098 0.000 2.042 257 L HA -0.015 4.328 4.340 0.005 0.000 0.210 257 L C -0.213 176.062 176.870 -0.991 0.000 1.076 257 L CA 1.959 56.422 54.840 -0.629 0.000 0.749 257 L CB -0.013 41.796 42.059 -0.416 0.000 0.893 257 L HN 0.427 nan 8.230 nan 0.000 0.432 258 F N -2.343 117.505 119.950 -0.169 0.000 2.547 258 F HA 0.505 5.035 4.527 0.005 0.000 0.316 258 F C 1.002 176.743 175.800 -0.098 0.000 1.121 258 F CA -0.491 57.400 58.000 -0.180 0.000 0.911 258 F CB 1.104 39.985 39.000 -0.199 0.000 1.179 258 F HN -0.173 nan 8.300 nan 0.000 0.443 259 A N 0.719 123.612 122.820 0.121 0.000 2.032 259 A HA -0.182 4.141 4.320 0.005 0.000 0.221 259 A C 1.986 179.654 177.584 0.139 0.000 1.165 259 A CA 1.957 54.090 52.037 0.161 0.000 0.645 259 A CB -1.175 17.895 19.000 0.116 0.000 0.807 259 A HN 0.911 nan 8.150 nan 0.000 0.453 260 C N -0.493 118.864 119.300 0.095 0.000 2.411 260 C HA -0.119 4.344 4.460 0.005 0.000 0.279 260 C C 2.433 177.453 174.990 0.051 0.000 1.288 260 C CA 1.125 60.179 59.018 0.059 0.000 1.764 260 C CB -1.371 26.378 27.740 0.015 0.000 1.974 260 C HN 0.673 nan 8.230 nan 0.000 0.498 261 E N -0.479 119.741 120.200 0.034 0.000 2.267 261 E HA -0.232 4.121 4.350 0.005 0.000 0.197 261 E C 1.476 178.042 176.600 -0.057 0.000 0.998 261 E CA 1.122 57.510 56.400 -0.020 0.000 0.830 261 E CB -0.206 29.466 29.700 -0.047 0.000 0.751 261 E HN 0.783 nan 8.360 nan 0.000 0.491 262 H N -0.743 118.331 119.070 0.006 0.000 2.457 262 H HA 0.022 4.581 4.556 0.005 0.000 0.294 262 H C 1.547 176.863 175.328 -0.020 0.000 1.064 262 H CA 1.139 57.177 56.048 -0.018 0.000 1.330 262 H CB 0.297 30.030 29.762 -0.048 0.000 1.395 262 H HN 0.132 nan 8.280 nan 0.000 0.541 263 A N -0.089 122.795 122.820 0.106 0.000 2.431 263 A HA 0.147 4.470 4.320 0.005 0.000 0.239 263 A C 0.320 177.924 177.584 0.034 0.000 1.230 263 A CA -0.033 52.042 52.037 0.064 0.000 0.928 263 A CB 0.274 19.317 19.000 0.072 0.000 1.006 263 A HN 0.424 nan 8.150 nan 0.000 0.520 264 E N -0.865 119.350 120.200 0.026 0.000 2.389 264 E HA -0.224 4.129 4.350 0.005 0.000 0.243 264 E C -0.300 176.304 176.600 0.007 0.000 1.154 264 E CA 0.789 57.196 56.400 0.011 0.000 0.723 264 E CB -1.823 27.881 29.700 0.006 0.000 1.261 264 E HN 0.885 nan 8.360 nan 0.000 0.390 265 I N -3.684 116.892 120.570 0.009 0.000 3.002 265 I HA 0.843 5.016 4.170 0.005 0.000 0.310 265 I C -0.442 175.667 176.117 -0.013 0.000 1.087 265 I CA -0.988 60.312 61.300 0.001 0.000 1.017 265 I CB 2.234 40.240 38.000 0.010 0.000 1.226 265 I HN -0.057 nan 8.210 nan 0.000 0.443 266 A N 3.358 126.164 122.820 -0.025 0.000 2.371 266 A HA 0.952 5.275 4.320 0.005 0.000 0.311 266 A C -2.790 174.763 177.584 -0.050 0.000 1.068 266 A CA -1.511 50.497 52.037 -0.048 0.000 0.744 266 A CB 0.911 19.879 19.000 -0.053 0.000 1.239 266 A HN 0.652 nan 8.150 nan 0.000 0.435 267 P HA 0.342 nan 4.420 nan 0.000 0.280 267 P C -0.421 176.825 177.300 -0.090 0.000 1.272 267 P CA -0.291 62.767 63.100 -0.070 0.000 0.819 267 P CB 1.175 32.827 31.700 -0.081 0.000 1.122 268 D N -0.353 119.989 120.400 -0.097 0.000 2.213 268 D HA 0.091 4.734 4.640 0.005 0.000 0.205 268 D C 0.581 176.789 176.300 -0.153 0.000 0.961 268 D CA 1.297 55.216 54.000 -0.135 0.000 0.853 268 D CB 0.398 41.096 40.800 -0.170 0.000 0.967 268 D HN 0.325 nan 8.370 nan 0.000 0.496 269 I N 0.987 121.476 120.570 -0.136 0.000 2.533 269 I HA 0.267 4.440 4.170 0.005 0.000 0.290 269 I C -1.166 174.873 176.117 -0.129 0.000 1.056 269 I CA -0.897 60.319 61.300 -0.140 0.000 1.057 269 I CB 2.879 40.795 38.000 -0.140 0.000 1.240 269 I HN -0.233 nan 8.210 nan 0.000 0.423 270 L N 6.745 127.884 121.223 -0.140 0.000 2.376 270 L HA 0.603 4.946 4.340 0.005 0.000 0.275 270 L C -1.058 175.737 176.870 -0.125 0.000 0.987 270 L CA -0.008 54.740 54.840 -0.152 0.000 0.828 270 L CB 1.331 43.256 42.059 -0.224 0.000 1.249 270 L HN 0.668 nan 8.230 nan 0.000 0.409 271 C N 5.774 125.014 119.300 -0.100 0.000 2.295 271 C HA 0.707 5.170 4.460 0.005 0.000 0.331 271 C C -0.014 174.948 174.990 -0.047 0.000 1.280 271 C CA -0.878 58.103 59.018 -0.062 0.000 1.746 271 C CB -0.069 27.640 27.740 -0.052 0.000 2.328 271 C HN 0.690 nan 8.230 nan 0.000 0.521 272 L N 2.789 124.008 121.223 -0.006 0.000 2.354 272 L HA 0.936 5.279 4.340 0.005 0.000 0.264 272 L C 0.612 177.541 176.870 0.098 0.000 1.008 272 L CA -0.031 54.844 54.840 0.059 0.000 0.819 272 L CB 2.035 44.166 42.059 0.121 0.000 1.339 272 L HN 0.900 nan 8.230 nan 0.000 0.420 273 G N -0.412 108.465 108.800 0.129 0.000 2.619 273 G HA2 0.240 4.203 3.960 0.005 0.000 0.146 273 G HA3 0.240 4.203 3.960 0.005 0.000 0.146 273 G C -0.375 174.551 174.900 0.043 0.000 1.192 273 G CA -0.101 45.039 45.100 0.067 0.000 1.063 273 G HN 0.511 nan 8.290 nan 0.000 0.538 274 K N -0.778 119.591 120.400 -0.053 0.000 3.765 274 K HA -0.401 3.922 4.320 0.005 0.000 0.216 274 K C 2.231 178.768 176.600 -0.105 0.000 0.731 274 K CA 2.565 58.781 56.287 -0.118 0.000 0.732 274 K CB -1.404 30.954 32.500 -0.237 0.000 0.745 274 K HN 0.990 nan 8.250 nan 0.000 0.814 275 A N 0.969 123.735 122.820 -0.089 0.000 2.172 275 A HA -0.063 4.260 4.320 0.005 0.000 0.216 275 A C 1.901 179.261 177.584 -0.373 0.000 1.154 275 A CA 1.404 53.329 52.037 -0.187 0.000 0.701 275 A CB -0.342 18.567 19.000 -0.150 0.000 0.789 275 A HN 0.425 nan 8.150 nan 0.000 0.465 276 L N 0.688 121.698 121.223 -0.354 0.000 2.064 276 L HA -0.203 4.140 4.340 0.005 0.000 0.216 276 L C 2.253 178.899 176.870 -0.374 0.000 1.077 276 L CA 2.864 57.375 54.840 -0.548 0.000 0.766 276 L CB -0.728 41.263 42.059 -0.113 0.000 0.890 276 L HN 0.534 nan 8.230 nan 0.000 0.435 277 T N -3.883 110.539 114.554 -0.219 0.000 3.176 277 T HA 0.434 4.787 4.350 0.005 0.000 0.263 277 T C 1.186 175.808 174.700 -0.130 0.000 1.021 277 T CA 0.119 62.127 62.100 -0.153 0.000 0.905 277 T CB -0.392 68.416 68.868 -0.100 0.000 1.057 277 T HN 0.724 nan 8.240 nan 0.000 0.558 278 G N 1.041 109.746 108.800 -0.159 0.000 2.225 278 G HA2 0.043 4.006 3.960 0.005 0.000 0.267 278 G HA3 0.043 4.006 3.960 0.005 0.000 0.267 278 G C 1.041 175.862 174.900 -0.131 0.000 1.024 278 G CA 0.190 45.228 45.100 -0.104 0.000 0.784 278 G HN 1.859 nan 8.290 nan 0.000 0.507 279 G N -1.665 107.056 108.800 -0.131 0.000 2.249 279 G HA2 -0.043 3.920 3.960 0.005 0.000 0.273 279 G HA3 -0.043 3.920 3.960 0.005 0.000 0.273 279 G C 1.225 176.096 174.900 -0.048 0.000 1.036 279 G CA 1.768 46.813 45.100 -0.091 0.000 0.824 279 G HN 2.140 nan 8.290 nan 0.000 0.504 280 T N -3.282 111.247 114.554 -0.042 0.000 3.033 280 T HA 0.533 4.886 4.350 0.005 0.000 0.248 280 T C 1.054 175.747 174.700 -0.012 0.000 1.040 280 T CA 1.433 63.524 62.100 -0.016 0.000 1.133 280 T CB 0.065 68.917 68.868 -0.025 0.000 0.895 280 T HN 1.568 nan 8.240 nan 0.000 0.465 281 M N -0.736 118.848 119.600 -0.027 0.000 2.895 281 M HA 0.512 4.995 4.480 0.005 0.000 0.271 281 M C -1.110 175.167 176.300 -0.039 0.000 1.174 281 M CA -0.943 54.337 55.300 -0.033 0.000 0.816 281 M CB 1.591 34.161 32.600 -0.049 0.000 1.647 281 M HN -0.190 nan 8.290 nan 0.000 0.506 282 T N 1.480 116.009 114.554 -0.042 0.000 2.907 282 T HA 0.680 5.033 4.350 0.005 0.000 0.298 282 T C -1.160 173.517 174.700 -0.039 0.000 1.017 282 T CA -0.064 62.015 62.100 -0.035 0.000 1.118 282 T CB 0.343 69.194 68.868 -0.029 0.000 0.948 282 T HN 0.608 nan 8.240 nan 0.000 0.531 283 L N 3.635 124.843 121.223 -0.025 0.000 2.724 283 L HA 0.671 5.014 4.340 0.005 0.000 0.258 283 L C -1.189 175.685 176.870 0.007 0.000 0.967 283 L CA -0.202 54.629 54.840 -0.014 0.000 0.891 283 L CB 1.952 43.993 42.059 -0.030 0.000 1.456 283 L HN 0.803 nan 8.230 nan 0.000 0.416 284 S N 1.812 117.529 115.700 0.028 0.000 2.625 284 S HA 1.050 5.523 4.470 0.005 0.000 0.271 284 S C -1.254 173.387 174.600 0.069 0.000 1.161 284 S CA -0.153 58.078 58.200 0.051 0.000 0.820 284 S CB 1.803 65.035 63.200 0.054 0.000 1.137 284 S HN 1.733 nan 8.310 nan 0.000 0.470 285 A N 0.706 123.576 122.820 0.082 0.000 2.488 285 A HA 0.802 5.125 4.320 0.005 0.000 0.298 285 A C -0.798 176.828 177.584 0.071 0.000 1.044 285 A CA -0.719 51.371 52.037 0.089 0.000 0.693 285 A CB 1.689 20.738 19.000 0.082 0.000 1.272 285 A HN 0.875 nan 8.150 nan 0.000 0.402 286 T N 2.624 117.235 114.554 0.095 0.000 2.847 286 T HA 0.558 4.911 4.350 0.005 0.000 0.291 286 T C -0.766 173.938 174.700 0.007 0.000 0.998 286 T CA -0.172 61.943 62.100 0.024 0.000 0.967 286 T CB 0.510 69.375 68.868 -0.005 0.000 0.954 286 T HN 0.411 nan 8.240 nan 0.000 0.441 287 L N 2.459 123.649 121.223 -0.055 0.000 2.334 287 L HA 0.856 5.199 4.340 0.005 0.000 0.275 287 L C 0.703 177.508 176.870 -0.108 0.000 1.036 287 L CA -0.131 54.666 54.840 -0.071 0.000 0.807 287 L CB 1.935 43.934 42.059 -0.099 0.000 1.231 287 L HN 0.652 nan 8.230 nan 0.000 0.438 288 T N -0.983 113.507 114.554 -0.108 0.000 2.647 288 T HA 0.619 4.973 4.350 0.005 0.000 0.295 288 T C -0.714 173.915 174.700 -0.119 0.000 1.126 288 T CA -0.037 61.980 62.100 -0.139 0.000 1.040 288 T CB 1.338 70.096 68.868 -0.183 0.000 1.472 288 T HN 0.762 nan 8.240 nan 0.000 0.500 289 T N -0.452 114.022 114.554 -0.134 0.000 2.927 289 T HA 0.461 4.814 4.350 0.005 0.000 0.281 289 T C 1.148 175.796 174.700 -0.087 0.000 0.998 289 T CA -0.612 61.425 62.100 -0.105 0.000 1.019 289 T CB 1.278 70.078 68.868 -0.113 0.000 1.061 289 T HN 0.642 nan 8.240 nan 0.000 0.518 290 R N 0.280 120.745 120.500 -0.059 0.000 2.096 290 R HA -0.120 4.223 4.340 0.005 0.000 0.235 290 R C 2.302 178.583 176.300 -0.032 0.000 1.127 290 R CA 1.843 57.920 56.100 -0.039 0.000 0.968 290 R CB -0.440 29.844 30.300 -0.027 0.000 0.861 290 R HN 0.884 nan 8.270 nan 0.000 0.440 291 E N -0.235 119.943 120.200 -0.036 0.000 2.051 291 E HA -0.148 4.205 4.350 0.005 0.000 0.192 291 E C 1.679 178.296 176.600 0.028 0.000 0.991 291 E CA 1.946 58.345 56.400 -0.002 0.000 0.799 291 E CB -0.305 29.391 29.700 -0.007 0.000 0.748 291 E HN 0.172 nan 8.360 nan 0.000 0.449 292 V N 1.007 120.870 119.914 -0.084 0.000 2.270 292 V HA -0.208 3.915 4.120 0.005 0.000 0.245 292 V C 2.472 178.543 176.094 -0.038 0.000 1.043 292 V CA 1.861 64.083 62.300 -0.131 0.000 1.014 292 V CB -1.094 30.520 31.823 -0.349 0.000 0.645 292 V HN 0.502 nan 8.190 nan 0.000 0.447 293 A N -0.274 122.502 122.820 -0.074 0.000 1.865 293 A HA -0.263 4.060 4.320 0.005 0.000 0.217 293 A C 2.168 179.750 177.584 -0.004 0.000 1.191 293 A CA 2.064 54.067 52.037 -0.056 0.000 0.623 293 A CB -0.561 18.411 19.000 -0.047 0.000 0.826 293 A HN 0.631 nan 8.150 nan 0.000 0.444 294 E N -0.867 119.334 120.200 0.002 0.000 2.058 294 E HA -0.154 4.199 4.350 0.005 0.000 0.194 294 E C 2.150 178.757 176.600 0.011 0.000 0.997 294 E CA 1.695 58.101 56.400 0.009 0.000 0.801 294 E CB -0.489 29.213 29.700 0.002 0.000 0.746 294 E HN 0.613 nan 8.360 nan 0.000 0.450 295 T N 1.762 116.327 114.554 0.018 0.000 2.720 295 T HA -0.168 4.185 4.350 0.005 0.000 0.268 295 T C 2.014 176.704 174.700 -0.017 0.000 1.037 295 T CA 1.026 63.112 62.100 -0.023 0.000 1.144 295 T CB -0.246 68.587 68.868 -0.059 0.000 0.864 295 T HN 0.119 nan 8.240 nan 0.000 0.444 296 I N 1.096 121.688 120.570 0.037 0.000 2.163 296 I HA -0.184 3.989 4.170 0.005 0.000 0.243 296 I C 2.587 178.741 176.117 0.061 0.000 1.085 296 I CA 1.120 62.455 61.300 0.059 0.000 1.347 296 I CB -0.378 37.673 38.000 0.085 0.000 1.044 296 I HN 0.173 nan 8.210 nan 0.000 0.408 297 S N 0.831 116.566 115.700 0.058 0.000 2.469 297 S HA -0.102 4.371 4.470 0.005 0.000 0.238 297 S C 1.401 176.019 174.600 0.030 0.000 0.998 297 S CA 0.942 59.176 58.200 0.056 0.000 0.957 297 S CB -0.308 62.923 63.200 0.052 0.000 0.764 297 S HN 0.444 nan 8.310 nan 0.000 0.514 298 N N 0.902 119.609 118.700 0.011 0.000 2.299 298 N HA 0.159 4.902 4.740 0.005 0.000 0.187 298 N C 0.864 176.369 175.510 -0.008 0.000 1.099 298 N CA 0.143 53.191 53.050 -0.003 0.000 0.867 298 N CB -0.043 38.434 38.487 -0.016 0.000 0.974 298 N HN 0.357 nan 8.380 nan 0.000 0.477 299 G N 0.340 109.138 108.800 -0.004 0.000 2.553 299 G HA2 0.061 4.024 3.960 0.005 0.000 0.278 299 G HA3 0.061 4.024 3.960 0.005 0.000 0.278 299 G C 0.815 175.719 174.900 0.007 0.000 1.349 299 G CA -0.324 44.774 45.100 -0.005 0.000 1.037 299 G HN 0.041 nan 8.290 nan 0.000 0.508 300 E N -0.503 119.702 120.200 0.008 0.000 2.086 300 E HA -0.303 4.050 4.350 0.005 0.000 0.205 300 E C 2.771 179.380 176.600 0.013 0.000 1.027 300 E CA 1.615 58.021 56.400 0.009 0.000 0.830 300 E CB -0.211 29.495 29.700 0.011 0.000 0.751 300 E HN 0.441 nan 8.360 nan 0.000 0.456 301 A N -0.185 122.648 122.820 0.021 0.000 1.969 301 A HA 0.040 4.363 4.320 0.005 0.000 0.218 301 A C 2.061 179.662 177.584 0.027 0.000 1.169 301 A CA 1.526 53.577 52.037 0.024 0.000 0.635 301 A CB -0.510 18.510 19.000 0.033 0.000 0.810 301 A HN 0.444 nan 8.150 nan 0.000 0.445 302 G N -2.389 106.430 108.800 0.032 0.000 2.179 302 G HA2 -0.259 3.704 3.960 0.005 0.000 0.260 302 G HA3 -0.259 3.704 3.960 0.005 0.000 0.260 302 G C 0.580 175.510 174.900 0.050 0.000 0.977 302 G CA 0.754 45.873 45.100 0.032 0.000 0.641 302 G HN 2.216 nan 8.290 nan 0.000 0.533 303 C N -3.277 116.068 119.300 0.075 0.000 3.209 303 C HA 0.680 5.143 4.460 0.005 0.000 0.353 303 C C -0.569 174.536 174.990 0.191 0.000 1.436 303 C CA -1.253 57.837 59.018 0.119 0.000 1.186 303 C CB 0.621 28.420 27.740 0.099 0.000 1.550 303 C HN 1.347 nan 8.230 nan 0.000 0.435 304 F N 2.825 122.818 119.950 0.072 0.000 2.404 304 F HA 0.650 5.180 4.527 0.006 0.000 0.358 304 F C 0.580 176.440 175.800 0.101 0.000 1.120 304 F CA -1.355 56.688 58.000 0.071 0.000 1.144 304 F CB 1.022 40.065 39.000 0.070 0.000 1.133 304 F HN 0.575 nan 8.300 nan 0.000 0.495 305 M N 7.383 126.726 119.600 -0.428 0.000 3.442 305 M HA 0.121 4.605 4.480 0.005 0.000 0.232 305 M C -1.004 175.007 176.300 -0.481 0.000 1.508 305 M CA 0.590 55.684 55.300 -0.343 0.000 1.647 305 M CB -1.626 30.861 32.600 -0.187 0.000 1.126 305 M HN 0.727 nan 8.290 nan 0.000 0.557 306 H N -0.927 117.843 119.070 -0.500 0.000 3.064 306 H HA 0.618 5.177 4.556 0.006 0.000 0.352 306 H C -0.535 174.879 175.328 0.142 0.000 1.260 306 H CA -0.249 55.632 56.048 -0.278 0.000 1.160 306 H CB 1.976 31.379 29.762 -0.598 0.000 1.879 306 H HN 0.550 nan 8.280 nan 0.000 0.544 307 G N 3.511 112.514 108.800 0.337 0.000 3.391 307 G HA2 0.171 4.134 3.960 0.005 0.000 0.257 307 G HA3 0.171 4.134 3.960 0.005 0.000 0.257 307 G C -3.091 171.941 174.900 0.221 0.000 3.853 307 G CA -0.872 44.439 45.100 0.351 0.000 0.453 307 G HN 0.401 nan 8.290 nan 0.000 0.287 308 P HA 0.305 nan 4.420 nan 0.000 0.271 308 P C 1.461 178.839 177.300 0.130 0.000 1.216 308 P CA -0.163 63.057 63.100 0.199 0.000 0.776 308 P CB 1.016 32.873 31.700 0.261 0.000 0.881 309 T N 1.070 115.660 114.554 0.060 0.000 2.649 309 T HA -0.215 4.138 4.350 0.005 0.000 0.268 309 T C 0.873 175.476 174.700 -0.161 0.000 1.036 309 T CA 1.747 63.796 62.100 -0.084 0.000 1.157 309 T CB -0.725 68.027 68.868 -0.194 0.000 0.861 309 T HN 0.389 nan 8.240 nan 0.000 0.445 310 F N 0.324 120.302 119.950 0.047 0.000 2.639 310 F HA 0.439 4.968 4.527 0.003 0.000 0.300 310 F C 0.807 176.647 175.800 0.067 0.000 1.109 310 F CA -0.685 57.314 58.000 -0.001 0.000 1.335 310 F CB -0.445 38.438 39.000 -0.196 0.000 1.014 310 F HN 0.087 nan 8.300 nan 0.000 0.537 311 M N 0.565 120.263 119.600 0.164 0.000 2.255 311 M HA 0.105 4.588 4.480 0.005 0.000 0.356 311 M C 1.376 177.531 176.300 -0.241 0.000 1.338 311 M CA 1.636 56.934 55.300 -0.002 0.000 0.962 311 M CB 0.060 32.675 32.600 0.024 0.000 1.877 311 M HN 0.540 nan 8.290 nan 0.000 0.463 312 G N 3.241 111.772 108.800 -0.449 0.000 2.179 312 G HA2 -0.334 3.629 3.960 0.005 0.000 0.260 312 G HA3 -0.334 3.629 3.960 0.005 0.000 0.260 312 G C 0.056 174.835 174.900 -0.200 0.000 0.977 312 G CA 0.435 45.047 45.100 -0.814 0.000 0.641 312 G HN 0.944 nan 8.290 nan 0.000 0.533 313 N N 1.316 120.042 118.700 0.043 0.000 2.034 313 N HA 0.108 4.851 4.740 0.005 0.000 0.293 313 N C -0.345 175.220 175.510 0.092 0.000 1.336 313 N CA 0.199 53.377 53.050 0.214 0.000 0.819 313 N CB 0.667 39.234 38.487 0.133 0.000 1.071 313 N HN 0.183 nan 8.380 nan 0.000 0.495 314 P HA -0.169 nan 4.420 nan 0.000 0.216 314 P C 1.428 178.701 177.300 -0.044 0.000 1.150 314 P CA 0.584 63.600 63.100 -0.140 0.000 0.837 314 P CB 0.128 31.594 31.700 -0.389 0.000 0.786 315 L N -0.028 121.186 121.223 -0.014 0.000 1.994 315 L HA -0.092 4.251 4.340 0.005 0.000 0.208 315 L C 2.258 179.114 176.870 -0.024 0.000 1.071 315 L CA 2.256 57.085 54.840 -0.019 0.000 0.745 315 L CB -1.645 40.404 42.059 -0.016 0.000 0.892 315 L HN -0.104 nan 8.230 nan 0.000 0.431 316 A N -1.491 121.315 122.820 -0.023 0.000 1.930 316 A HA -0.211 4.112 4.320 0.005 0.000 0.217 316 A C 2.380 179.945 177.584 -0.032 0.000 1.175 316 A CA 1.706 53.722 52.037 -0.035 0.000 0.627 316 A CB -1.451 17.525 19.000 -0.041 0.000 0.815 316 A HN 0.643 nan 8.150 nan 0.000 0.443 317 C N -1.041 118.252 119.300 -0.012 0.000 2.440 317 C HA 0.082 4.545 4.460 0.005 0.000 0.278 317 C C 3.291 178.276 174.990 -0.009 0.000 1.295 317 C CA 0.645 59.661 59.018 -0.002 0.000 1.738 317 C CB -1.319 26.450 27.740 0.049 0.000 1.987 317 C HN 0.705 nan 8.230 nan 0.000 0.492 318 A N 0.763 123.577 122.820 -0.010 0.000 1.877 318 A HA 0.026 4.349 4.320 0.005 0.000 0.216 318 A C 2.390 179.951 177.584 -0.039 0.000 1.186 318 A CA 2.188 54.213 52.037 -0.019 0.000 0.620 318 A CB -1.027 17.960 19.000 -0.021 0.000 0.822 318 A HN 0.561 nan 8.150 nan 0.000 0.443 319 A N -0.038 122.755 122.820 -0.046 0.000 1.865 319 A HA 0.074 4.397 4.320 0.005 0.000 0.217 319 A C 2.564 180.094 177.584 -0.090 0.000 1.191 319 A CA 2.569 54.567 52.037 -0.064 0.000 0.623 319 A CB -1.248 17.716 19.000 -0.059 0.000 0.826 319 A HN 1.189 nan 8.150 nan 0.000 0.444 320 A N 0.047 122.812 122.820 -0.090 0.000 1.908 320 A HA -0.249 4.074 4.320 0.005 0.000 0.218 320 A C 1.983 179.496 177.584 -0.119 0.000 1.181 320 A CA 1.985 53.947 52.037 -0.125 0.000 0.627 320 A CB -0.726 18.210 19.000 -0.106 0.000 0.818 320 A HN 0.580 nan 8.150 nan 0.000 0.445 321 N N 0.355 119.010 118.700 -0.075 0.000 2.084 321 N HA -0.127 4.616 4.740 0.005 0.000 0.190 321 N C 1.937 177.397 175.510 -0.083 0.000 1.030 321 N CA 1.704 54.719 53.050 -0.057 0.000 0.849 321 N CB -0.678 37.794 38.487 -0.024 0.000 1.012 321 N HN 0.463 nan 8.380 nan 0.000 0.423 322 A N 0.225 122.989 122.820 -0.094 0.000 1.978 322 A HA -0.141 4.182 4.320 0.005 0.000 0.220 322 A C 2.481 179.926 177.584 -0.231 0.000 1.170 322 A CA 1.996 53.955 52.037 -0.130 0.000 0.636 322 A CB -0.737 18.195 19.000 -0.112 0.000 0.810 322 A HN 0.349 nan 8.150 nan 0.000 0.448 323 S N -0.511 115.051 115.700 -0.230 0.000 2.357 323 S HA -0.049 4.424 4.470 0.005 0.000 0.221 323 S C 1.930 176.409 174.600 -0.202 0.000 1.031 323 S CA 1.233 59.264 58.200 -0.282 0.000 0.982 323 S CB -0.454 62.681 63.200 -0.109 0.000 0.853 323 S HN 0.505 nan 8.310 nan 0.000 0.458 324 L N 1.185 122.313 121.223 -0.159 0.000 2.083 324 L HA -0.053 4.290 4.340 0.005 0.000 0.209 324 L C 2.950 179.795 176.870 -0.043 0.000 1.083 324 L CA 1.202 55.986 54.840 -0.093 0.000 0.752 324 L CB -0.741 41.284 42.059 -0.058 0.000 0.899 324 L HN 0.422 nan 8.230 nan 0.000 0.433 325 A N 0.264 123.043 122.820 -0.067 0.000 1.972 325 A HA -0.145 4.178 4.320 0.005 0.000 0.219 325 A C 2.199 179.760 177.584 -0.039 0.000 1.169 325 A CA 1.297 53.312 52.037 -0.037 0.000 0.635 325 A CB -0.557 18.417 19.000 -0.044 0.000 0.810 325 A HN 0.369 nan 8.150 nan 0.000 0.446 326 I N -0.412 120.082 120.570 -0.125 0.000 2.315 326 I HA -0.218 3.955 4.170 0.005 0.000 0.248 326 I C 2.102 178.261 176.117 0.069 0.000 1.117 326 I CA 0.948 62.181 61.300 -0.112 0.000 1.404 326 I CB -0.260 37.491 38.000 -0.414 0.000 1.071 326 I HN 0.267 nan 8.210 nan 0.000 0.419 327 L N 0.294 121.584 121.223 0.111 0.000 2.362 327 L HA -0.154 4.189 4.340 0.005 0.000 0.219 327 L C 2.282 179.328 176.870 0.292 0.000 1.134 327 L CA 1.015 56.006 54.840 0.252 0.000 0.807 327 L CB -0.520 41.575 42.059 0.059 0.000 0.927 327 L HN 0.294 nan 8.230 nan 0.000 0.447 328 E N -0.084 120.212 120.200 0.160 0.000 2.150 328 E HA -0.194 4.159 4.350 0.005 0.000 0.193 328 E C 2.256 178.937 176.600 0.135 0.000 0.985 328 E CA 1.353 57.838 56.400 0.142 0.000 0.814 328 E CB 0.006 29.755 29.700 0.082 0.000 0.752 328 E HN 0.482 nan 8.360 nan 0.000 0.466 329 S N -0.500 115.276 115.700 0.126 0.000 2.469 329 S HA -0.084 4.389 4.470 0.005 0.000 0.238 329 S C 1.805 176.447 174.600 0.070 0.000 0.998 329 S CA 1.060 59.313 58.200 0.088 0.000 0.957 329 S CB -0.219 63.029 63.200 0.081 0.000 0.764 329 S HN 0.424 nan 8.310 nan 0.000 0.514 330 G N 1.131 110.003 108.800 0.121 0.000 2.245 330 G HA2 -0.331 3.632 3.960 0.005 0.000 0.264 330 G HA3 -0.331 3.632 3.960 0.005 0.000 0.264 330 G C 0.523 175.289 174.900 -0.224 0.000 0.985 330 G CA 0.559 45.617 45.100 -0.070 0.000 0.625 330 G HN 0.542 nan 8.290 nan 0.000 0.536 331 D N 0.156 120.539 120.400 -0.028 0.000 2.190 331 D HA -0.127 4.516 4.640 0.005 0.000 0.200 331 D C 2.251 178.522 176.300 -0.049 0.000 0.992 331 D CA 1.564 55.548 54.000 -0.027 0.000 0.854 331 D CB -0.484 40.359 40.800 0.071 0.000 0.936 331 D HN 0.876 nan 8.370 nan 0.000 0.462 332 W N 1.360 122.681 121.300 0.035 0.000 2.350 332 W HA -0.172 4.491 4.660 0.006 0.000 0.289 332 W C 1.466 177.909 176.519 -0.127 0.000 1.215 332 W CA 0.553 57.885 57.345 -0.023 0.000 1.236 332 W CB -1.012 28.465 29.460 0.028 0.000 1.130 332 W HN 0.086 nan 8.180 nan 0.000 0.541 333 Q N 0.788 119.815 119.800 -1.287 0.000 2.050 333 Q HA -0.283 4.060 4.340 0.005 0.000 0.202 333 Q C 2.365 178.080 176.000 -0.475 0.000 0.980 333 Q CA 2.299 57.412 55.803 -1.149 0.000 0.840 333 Q CB -0.457 27.631 28.738 -1.082 0.000 0.898 333 Q HN 0.216 nan 8.270 nan 0.000 0.424 334 Q N 0.839 120.435 119.800 -0.340 0.000 2.119 334 Q HA -0.148 4.195 4.340 0.005 0.000 0.201 334 Q C 1.829 177.763 176.000 -0.110 0.000 0.972 334 Q CA 1.563 57.257 55.803 -0.181 0.000 0.847 334 Q CB 0.083 28.743 28.738 -0.131 0.000 0.903 334 Q HN 0.348 nan 8.270 nan 0.000 0.433 335 Q N -1.035 118.715 119.800 -0.084 0.000 2.020 335 Q HA -0.121 4.222 4.340 0.005 0.000 0.202 335 Q C 2.064 178.042 176.000 -0.037 0.000 0.982 335 Q CA 1.822 57.618 55.803 -0.012 0.000 0.838 335 Q CB -0.050 28.731 28.738 0.071 0.000 0.899 335 Q HN 0.264 nan 8.270 nan 0.000 0.423 336 V N 0.877 120.727 119.914 -0.106 0.000 2.427 336 V HA -0.247 3.876 4.120 0.005 0.000 0.248 336 V C 2.222 178.285 176.094 -0.053 0.000 1.051 336 V CA 1.574 63.807 62.300 -0.112 0.000 1.048 336 V CB -0.951 30.776 31.823 -0.159 0.000 0.666 336 V HN 0.388 nan 8.190 nan 0.000 0.456 337 A N 0.253 123.027 122.820 -0.076 0.000 1.865 337 A HA -0.284 4.039 4.320 0.005 0.000 0.217 337 A C 2.021 179.589 177.584 -0.026 0.000 1.191 337 A CA 2.234 54.239 52.037 -0.054 0.000 0.623 337 A CB -0.726 18.224 19.000 -0.082 0.000 0.826 337 A HN 0.524 nan 8.150 nan 0.000 0.444 338 D N -0.102 120.283 120.400 -0.024 0.000 2.117 338 D HA -0.124 4.519 4.640 0.005 0.000 0.197 338 D C 1.838 178.147 176.300 0.014 0.000 0.987 338 D CA 1.227 55.225 54.000 -0.003 0.000 0.829 338 D CB -0.411 40.390 40.800 0.002 0.000 0.961 338 D HN 0.522 nan 8.370 nan 0.000 0.460 339 I N 0.907 121.490 120.570 0.021 0.000 2.264 339 I HA -0.246 3.927 4.170 0.005 0.000 0.248 339 I C 2.448 178.589 176.117 0.039 0.000 1.111 339 I CA 1.037 62.362 61.300 0.042 0.000 1.382 339 I CB -0.134 37.904 38.000 0.063 0.000 1.060 339 I HN 0.033 nan 8.210 nan 0.000 0.418 340 E N 0.767 120.984 120.200 0.027 0.000 2.031 340 E HA -0.208 4.145 4.350 0.005 0.000 0.193 340 E C 2.325 178.940 176.600 0.025 0.000 0.994 340 E CA 1.746 58.164 56.400 0.029 0.000 0.800 340 E CB 0.089 29.803 29.700 0.024 0.000 0.752 340 E HN 0.234 nan 8.360 nan 0.000 0.447 341 V N 1.122 121.046 119.914 0.017 0.000 2.255 341 V HA -0.316 3.807 4.120 0.005 0.000 0.247 341 V C 2.634 178.742 176.094 0.022 0.000 1.051 341 V CA 2.389 64.699 62.300 0.016 0.000 1.018 341 V CB -0.708 31.120 31.823 0.009 0.000 0.641 341 V HN 0.423 nan 8.190 nan 0.000 0.445 342 Q N -0.695 119.120 119.800 0.025 0.000 2.170 342 Q HA -0.192 4.151 4.340 0.005 0.000 0.203 342 Q C 2.197 178.217 176.000 0.034 0.000 0.976 342 Q CA 1.695 57.516 55.803 0.029 0.000 0.858 342 Q CB -0.128 28.630 28.738 0.033 0.000 0.907 342 Q HN 0.622 nan 8.270 nan 0.000 0.433 343 L N -0.276 120.970 121.223 0.038 0.000 2.109 343 L HA -0.127 4.216 4.340 0.005 0.000 0.207 343 L C 2.623 179.515 176.870 0.037 0.000 1.086 343 L CA 0.982 55.847 54.840 0.042 0.000 0.760 343 L CB -0.251 41.839 42.059 0.051 0.000 0.910 343 L HN 0.186 nan 8.230 nan 0.000 0.437 344 R N -0.167 120.352 120.500 0.032 0.000 2.073 344 R HA -0.211 4.132 4.340 0.005 0.000 0.234 344 R C 2.169 178.485 176.300 0.026 0.000 1.134 344 R CA 1.630 57.747 56.100 0.027 0.000 0.952 344 R CB -0.260 30.054 30.300 0.023 0.000 0.850 344 R HN 0.377 nan 8.270 nan 0.000 0.433 345 E N 0.949 121.164 120.200 0.025 0.000 2.051 345 E HA -0.212 4.141 4.350 0.005 0.000 0.192 345 E C 1.848 178.464 176.600 0.027 0.000 0.991 345 E CA 1.290 57.704 56.400 0.024 0.000 0.799 345 E CB 0.191 29.904 29.700 0.022 0.000 0.748 345 E HN 0.343 nan 8.360 nan 0.000 0.449 346 Q N -0.459 119.359 119.800 0.031 0.000 2.389 346 Q HA 0.051 4.394 4.340 0.005 0.000 0.204 346 Q C 1.956 177.979 176.000 0.039 0.000 0.944 346 Q CA 0.368 56.192 55.803 0.035 0.000 0.908 346 Q CB 0.397 29.157 28.738 0.036 0.000 1.002 346 Q HN 0.348 nan 8.270 nan 0.000 0.493 347 L N -0.461 120.785 121.223 0.039 0.000 2.529 347 L HA 0.161 4.504 4.340 0.005 0.000 0.223 347 L C 2.269 179.160 176.870 0.035 0.000 1.113 347 L CA 0.121 54.986 54.840 0.042 0.000 0.861 347 L CB -0.293 41.793 42.059 0.044 0.000 1.012 347 L HN 0.129 nan 8.230 nan 0.000 0.461 348 A N 1.597 124.435 122.820 0.030 0.000 1.903 348 A HA -0.171 4.152 4.320 0.005 0.000 0.219 348 A C -0.121 177.476 177.584 0.021 0.000 1.191 348 A CA 1.915 53.966 52.037 0.023 0.000 0.638 348 A CB -1.784 17.228 19.000 0.021 0.000 0.823 348 A HN 0.271 nan 8.150 nan 0.000 0.451 349 P HA -0.086 nan 4.420 nan 0.000 0.219 349 P C 1.459 178.772 177.300 0.021 0.000 1.146 349 P CA 1.568 64.681 63.100 0.022 0.000 0.808 349 P CB -0.117 31.599 31.700 0.027 0.000 0.779 350 A N -0.072 122.765 122.820 0.028 0.000 2.067 350 A HA -0.173 4.150 4.320 0.005 0.000 0.219 350 A C 2.138 179.728 177.584 0.010 0.000 1.158 350 A CA 0.996 53.050 52.037 0.028 0.000 0.661 350 A CB -0.929 18.097 19.000 0.044 0.000 0.801 350 A HN 0.107 nan 8.150 nan 0.000 0.452 351 R N -0.171 120.334 120.500 0.008 0.000 2.193 351 R HA -0.106 4.237 4.340 0.005 0.000 0.229 351 R C 0.558 176.851 176.300 -0.012 0.000 1.110 351 R CA 1.313 57.412 56.100 -0.002 0.000 0.988 351 R CB -0.175 30.126 30.300 0.002 0.000 0.871 351 R HN 0.476 nan 8.270 nan 0.000 0.458 352 D N 0.155 120.550 120.400 -0.009 0.000 2.350 352 D HA 0.081 4.724 4.640 0.005 0.000 0.213 352 D C 0.244 176.527 176.300 -0.027 0.000 1.031 352 D CA 0.190 54.180 54.000 -0.016 0.000 0.861 352 D CB 0.294 41.089 40.800 -0.008 0.000 0.926 352 D HN 0.133 nan 8.370 nan 0.000 0.520 353 A N 1.014 123.817 122.820 -0.028 0.000 2.425 353 A HA 0.035 4.358 4.320 0.005 0.000 0.249 353 A C 1.354 178.889 177.584 -0.082 0.000 1.084 353 A CA -0.170 51.840 52.037 -0.045 0.000 0.781 353 A CB 0.752 19.734 19.000 -0.029 0.000 1.019 353 A HN 0.020 nan 8.150 nan 0.000 0.490 354 E N 1.554 121.691 120.200 -0.106 0.000 2.150 354 E HA -0.134 4.219 4.350 0.005 0.000 0.193 354 E C 0.938 177.403 176.600 -0.225 0.000 0.985 354 E CA 0.955 57.270 56.400 -0.142 0.000 0.814 354 E CB -0.068 29.552 29.700 -0.133 0.000 0.752 354 E HN 0.700 nan 8.360 nan 0.000 0.466 355 M N 0.691 120.119 119.600 -0.286 0.000 2.686 355 M HA 0.060 4.543 4.480 0.005 0.000 0.246 355 M C 0.006 176.102 176.300 -0.341 0.000 1.096 355 M CA 0.390 55.404 55.300 -0.476 0.000 1.076 355 M CB 0.058 32.211 32.600 -0.745 0.000 1.504 355 M HN -0.169 nan 8.290 nan 0.000 0.524 356 V N -0.151 119.647 119.914 -0.193 0.000 2.513 356 V HA 0.558 4.681 4.120 0.005 0.000 0.299 356 V C 0.851 176.888 176.094 -0.094 0.000 1.035 356 V CA -0.297 61.937 62.300 -0.110 0.000 0.889 356 V CB 1.555 33.347 31.823 -0.051 0.000 0.988 356 V HN 0.293 nan 8.190 nan 0.000 0.440 357 A N 3.395 126.172 122.820 -0.072 0.000 2.055 357 A HA 0.392 4.715 4.320 0.005 0.000 0.205 357 A C 0.421 177.986 177.584 -0.031 0.000 1.235 357 A CA 0.616 52.619 52.037 -0.056 0.000 0.822 357 A CB 0.190 19.157 19.000 -0.055 0.000 0.903 357 A HN 0.780 nan 8.150 nan 0.000 0.473 358 D N -2.031 118.356 120.400 -0.020 0.000 2.803 358 D HA 0.466 5.109 4.640 0.005 0.000 0.218 358 D C -1.762 174.540 176.300 0.003 0.000 1.245 358 D CA -0.138 53.858 54.000 -0.007 0.000 0.821 358 D CB 2.088 42.885 40.800 -0.005 0.000 1.626 358 D HN -0.042 nan 8.370 nan 0.000 0.487 359 V N 3.971 123.890 119.914 0.010 0.000 2.487 359 V HA 0.691 4.814 4.120 0.005 0.000 0.298 359 V C -0.345 175.761 176.094 0.019 0.000 1.028 359 V CA -0.598 61.713 62.300 0.019 0.000 0.860 359 V CB 1.496 33.332 31.823 0.021 0.000 0.991 359 V HN 0.603 nan 8.190 nan 0.000 0.427 360 R N 3.483 123.996 120.500 0.022 0.000 2.771 360 R HA 0.956 5.299 4.340 0.005 0.000 0.274 360 R C -2.075 174.240 176.300 0.025 0.000 0.987 360 R CA -0.859 55.253 56.100 0.020 0.000 0.908 360 R CB 2.441 32.751 30.300 0.016 0.000 1.213 360 R HN 0.323 nan 8.270 nan 0.000 0.468 361 V N 2.103 122.029 119.914 0.020 0.000 2.851 361 V HA 0.527 4.650 4.120 0.005 0.000 0.307 361 V C -1.578 174.525 176.094 0.014 0.000 1.129 361 V CA -0.826 61.490 62.300 0.027 0.000 0.932 361 V CB 2.192 34.035 31.823 0.032 0.000 1.024 361 V HN 0.693 nan 8.190 nan 0.000 0.426 362 L N 4.018 125.255 121.223 0.022 0.000 2.562 362 L HA 0.859 5.202 4.340 0.005 0.000 0.266 362 L C 0.378 177.277 176.870 0.048 0.000 0.949 362 L CA 1.364 56.211 54.840 0.012 0.000 0.879 362 L CB 1.472 43.512 42.059 -0.032 0.000 1.278 362 L HN 1.137 nan 8.230 nan 0.000 0.404 363 G N 3.882 112.716 108.800 0.057 0.000 2.611 363 G HA2 -0.226 3.737 3.960 0.005 0.000 0.301 363 G HA3 -0.226 3.737 3.960 0.005 0.000 0.301 363 G C 0.668 175.611 174.900 0.071 0.000 1.233 363 G CA 0.466 45.607 45.100 0.069 0.000 0.993 363 G HN 1.781 nan 8.290 nan 0.000 0.553 364 A N -0.224 122.655 122.820 0.098 0.000 2.337 364 A HA 0.636 4.959 4.320 0.005 0.000 0.227 364 A C 0.825 178.511 177.584 0.169 0.000 1.259 364 A CA 0.471 52.594 52.037 0.143 0.000 0.870 364 A CB -0.296 18.841 19.000 0.229 0.000 0.927 364 A HN 0.680 nan 8.150 nan 0.000 0.497 365 I N 0.554 121.210 120.570 0.142 0.000 2.330 365 I HA 0.483 4.656 4.170 0.005 0.000 0.289 365 I C 0.485 176.668 176.117 0.109 0.000 1.001 365 I CA -0.360 61.029 61.300 0.148 0.000 1.193 365 I CB 1.784 39.859 38.000 0.124 0.000 1.345 365 I HN 0.157 nan 8.210 nan 0.000 0.461 366 G N 5.798 114.674 108.800 0.126 0.000 2.557 366 G HA2 0.641 4.604 3.960 0.005 0.000 0.310 366 G HA3 0.641 4.604 3.960 0.005 0.000 0.310 366 G C -1.089 173.880 174.900 0.114 0.000 1.328 366 G CA -0.374 44.783 45.100 0.096 0.000 0.945 366 G HN 0.326 nan 8.290 nan 0.000 0.494 367 V N 2.432 122.396 119.914 0.083 0.000 2.540 367 V HA 0.485 4.608 4.120 0.005 0.000 0.302 367 V C -0.327 175.803 176.094 0.060 0.000 1.035 367 V CA -0.807 61.542 62.300 0.083 0.000 0.873 367 V CB 1.874 33.718 31.823 0.035 0.000 0.992 367 V HN 0.528 nan 8.190 nan 0.000 0.428 368 V N 4.021 123.977 119.914 0.071 0.000 2.334 368 V HA 0.384 4.507 4.120 0.005 0.000 0.281 368 V C 0.033 176.154 176.094 0.045 0.000 1.016 368 V CA -0.463 61.872 62.300 0.057 0.000 0.832 368 V CB 1.479 33.350 31.823 0.079 0.000 0.999 368 V HN 0.973 nan 8.190 nan 0.000 0.439 369 E N 3.739 123.947 120.200 0.014 0.000 2.146 369 E HA 0.464 4.817 4.350 0.005 0.000 0.282 369 E C 0.172 176.767 176.600 -0.010 0.000 0.989 369 E CA -0.446 55.949 56.400 -0.008 0.000 0.799 369 E CB 1.205 30.887 29.700 -0.030 0.000 1.088 369 E HN 0.818 nan 8.360 nan 0.000 0.397 370 T N 0.639 115.197 114.554 0.007 0.000 2.881 370 T HA 0.161 4.515 4.350 0.005 0.000 0.278 370 T C 1.303 175.961 174.700 -0.070 0.000 0.982 370 T CA -0.012 62.066 62.100 -0.035 0.000 0.989 370 T CB 1.419 70.321 68.868 0.056 0.000 1.058 370 T HN 0.511 nan 8.240 nan 0.000 0.529 371 T N -2.297 112.150 114.554 -0.179 0.000 3.014 371 T HA 0.105 4.458 4.350 0.005 0.000 0.263 371 T C 0.449 175.162 174.700 0.021 0.000 1.078 371 T CA 0.524 62.525 62.100 -0.166 0.000 1.135 371 T CB -0.358 68.298 68.868 -0.354 0.000 0.895 371 T HN 0.723 nan 8.240 nan 0.000 0.480 372 H N 1.028 120.058 119.070 -0.066 0.000 2.855 372 H HA 0.614 5.173 4.556 0.005 0.000 0.363 372 H C -2.860 172.549 175.328 0.135 0.000 1.185 372 H CA -2.964 53.093 56.048 0.015 0.000 1.174 372 H CB 1.020 30.789 29.762 0.011 0.000 1.857 372 H HN 0.034 nan 8.280 nan 0.000 0.565 373 P HA 0.076 nan 4.420 nan 0.000 0.274 373 P C -0.231 177.226 177.300 0.263 0.000 1.237 373 P CA -0.528 62.688 63.100 0.192 0.000 0.793 373 P CB 0.639 32.396 31.700 0.095 0.000 0.977 374 V N -0.907 119.070 119.914 0.105 0.000 2.953 374 V HA 0.396 4.519 4.120 0.005 0.000 0.304 374 V C 0.412 176.453 176.094 -0.089 0.000 1.073 374 V CA -0.663 61.557 62.300 -0.134 0.000 1.064 374 V CB 0.712 32.409 31.823 -0.210 0.000 1.047 374 V HN 0.421 nan 8.190 nan 0.000 0.478 375 N N 4.118 122.721 118.700 -0.162 0.000 2.555 375 N HA 0.162 4.905 4.740 0.005 0.000 0.244 375 N C 0.850 176.316 175.510 -0.073 0.000 1.114 375 N CA -0.328 52.683 53.050 -0.066 0.000 0.963 375 N CB 0.689 39.157 38.487 -0.031 0.000 1.276 375 N HN 0.774 nan 8.380 nan 0.000 0.510 376 M N 2.152 121.731 119.600 -0.035 0.000 2.539 376 M HA -0.257 4.226 4.480 0.005 0.000 0.265 376 M C 1.941 178.223 176.300 -0.029 0.000 1.064 376 M CA 2.046 57.332 55.300 -0.023 0.000 1.077 376 M CB -1.707 30.905 32.600 0.020 0.000 1.246 376 M HN 0.611 nan 8.290 nan 0.000 0.470 377 A N -0.409 122.412 122.820 0.002 0.000 1.948 377 A HA -0.068 4.255 4.320 0.005 0.000 0.220 377 A C 2.353 179.944 177.584 0.012 0.000 1.177 377 A CA 2.681 54.731 52.037 0.022 0.000 0.636 377 A CB -0.982 18.034 19.000 0.027 0.000 0.815 377 A HN 0.624 nan 8.150 nan 0.000 0.449 378 A N -1.149 121.673 122.820 0.003 0.000 1.930 378 A HA 0.130 4.453 4.320 0.005 0.000 0.215 378 A C 2.065 179.557 177.584 -0.154 0.000 1.176 378 A CA 1.505 53.566 52.037 0.040 0.000 0.632 378 A CB -0.448 18.646 19.000 0.157 0.000 0.819 378 A HN 0.552 nan 8.150 nan 0.000 0.445 379 L N -0.581 120.451 121.223 -0.318 0.000 2.109 379 L HA -0.080 4.263 4.340 0.005 0.000 0.207 379 L C 2.416 178.928 176.870 -0.596 0.000 1.086 379 L CA 2.339 56.737 54.840 -0.737 0.000 0.760 379 L CB -0.721 40.983 42.059 -0.592 0.000 0.910 379 L HN 0.465 nan 8.230 nan 0.000 0.437 380 Q N 0.106 119.756 119.800 -0.250 0.000 2.084 380 Q HA -0.268 4.075 4.340 0.005 0.000 0.202 380 Q C 2.341 178.260 176.000 -0.134 0.000 0.978 380 Q CA 2.199 57.917 55.803 -0.142 0.000 0.844 380 Q CB -0.245 28.466 28.738 -0.046 0.000 0.898 380 Q HN 0.507 nan 8.270 nan 0.000 0.426 381 K N -1.076 119.288 120.400 -0.060 0.000 2.057 381 K HA -0.154 4.169 4.320 0.005 0.000 0.206 381 K C 1.930 178.477 176.600 -0.090 0.000 1.050 381 K CA 1.216 57.513 56.287 0.018 0.000 0.935 381 K CB -0.403 32.157 32.500 0.099 0.000 0.715 381 K HN 0.288 nan 8.250 nan 0.000 0.439 382 F N 0.869 120.578 119.950 -0.401 0.000 2.095 382 F HA -0.172 4.358 4.527 0.005 0.000 0.298 382 F C 1.492 177.083 175.800 -0.348 0.000 1.104 382 F CA 1.543 59.244 58.000 -0.499 0.000 1.232 382 F CB -0.493 37.791 39.000 -1.192 0.000 0.987 382 F HN -0.004 nan 8.300 nan 0.000 0.475 383 F N -0.271 119.404 119.950 -0.460 0.000 2.102 383 F HA -0.241 4.289 4.527 0.005 0.000 0.298 383 F C 2.402 177.966 175.800 -0.393 0.000 1.105 383 F CA 1.215 58.923 58.000 -0.487 0.000 1.239 383 F CB -0.843 37.940 39.000 -0.363 0.000 0.991 383 F HN -0.215 nan 8.300 nan 0.000 0.474 384 V N 0.063 119.900 119.914 -0.129 0.000 2.392 384 V HA -0.294 3.829 4.120 0.005 0.000 0.249 384 V C 1.890 177.906 176.094 -0.130 0.000 1.059 384 V CA 1.969 64.189 62.300 -0.134 0.000 1.051 384 V CB -0.596 31.070 31.823 -0.261 0.000 0.658 384 V HN 0.353 nan 8.190 nan 0.000 0.455 385 E N -0.567 119.531 120.200 -0.170 0.000 2.274 385 E HA -0.158 4.195 4.350 0.005 0.000 0.194 385 E C 1.998 178.492 176.600 -0.177 0.000 0.996 385 E CA 0.511 56.828 56.400 -0.138 0.000 0.840 385 E CB -0.016 29.620 29.700 -0.106 0.000 0.772 385 E HN 0.533 nan 8.360 nan 0.000 0.491 386 Q N -0.625 119.006 119.800 -0.282 0.000 2.403 386 Q HA 0.069 4.412 4.340 0.005 0.000 0.203 386 Q C 0.924 176.851 176.000 -0.122 0.000 0.932 386 Q CA 0.647 56.311 55.803 -0.231 0.000 0.945 386 Q CB 0.995 29.533 28.738 -0.333 0.000 1.045 386 Q HN 0.370 nan 8.270 nan 0.000 0.511 387 G N 0.882 109.623 108.800 -0.099 0.000 2.198 387 G HA2 -0.239 3.724 3.960 0.005 0.000 0.257 387 G HA3 -0.239 3.724 3.960 0.005 0.000 0.257 387 G C 0.146 175.022 174.900 -0.041 0.000 1.042 387 G CA 0.466 45.531 45.100 -0.058 0.000 0.791 387 G HN 0.358 nan 8.290 nan 0.000 0.502 388 V N -4.455 115.434 119.914 -0.041 0.000 3.078 388 V HA 0.876 4.999 4.120 0.005 0.000 0.311 388 V C -0.256 175.853 176.094 0.025 0.000 1.138 388 V CA -1.653 60.632 62.300 -0.026 0.000 1.007 388 V CB 2.236 34.005 31.823 -0.090 0.000 1.045 388 V HN 0.718 nan 8.190 nan 0.000 0.432 389 W N 4.814 125.987 121.300 -0.213 0.000 2.336 389 W HA 0.774 5.437 4.660 0.005 0.000 0.315 389 W C -2.012 174.316 176.519 -0.318 0.000 1.016 389 W CA -0.793 56.408 57.345 -0.240 0.000 1.318 389 W CB 1.465 30.801 29.460 -0.207 0.000 1.247 389 W HN 0.639 nan 8.180 nan 0.000 0.414 390 I N 6.016 126.022 120.570 -0.939 0.000 2.499 390 I HA 0.274 4.447 4.170 0.005 0.000 0.288 390 I C -0.349 175.220 176.117 -0.913 0.000 1.048 390 I CA -0.913 59.776 61.300 -1.018 0.000 1.062 390 I CB 2.546 39.622 38.000 -1.541 0.000 1.238 390 I HN 0.239 nan 8.210 nan 0.000 0.426 391 R N 7.952 128.036 120.500 -0.693 0.000 2.335 391 R HA 0.460 4.803 4.340 0.005 0.000 0.302 391 R C -2.609 173.604 176.300 -0.145 0.000 1.147 391 R CA -1.589 54.247 56.100 -0.439 0.000 1.111 391 R CB 0.784 30.853 30.300 -0.386 0.000 1.122 391 R HN 0.251 nan 8.270 nan 0.000 0.557 392 P HA 0.301 nan 4.420 nan 0.000 0.278 392 P C -1.121 176.367 177.300 0.314 0.000 1.266 392 P CA -0.341 62.845 63.100 0.143 0.000 0.807 392 P CB 0.700 32.461 31.700 0.102 0.000 1.094 393 F N -2.888 117.102 119.950 0.066 0.000 2.622 393 F HA 0.572 5.102 4.527 0.005 0.000 0.318 393 F C 0.406 176.223 175.800 0.028 0.000 1.135 393 F CA -0.045 57.979 58.000 0.040 0.000 1.015 393 F CB 1.013 40.031 39.000 0.030 0.000 1.275 393 F HN 0.774 nan 8.300 nan 0.000 0.457 394 G N 3.874 112.640 108.800 -0.057 0.000 2.591 394 G HA2 -0.342 3.621 3.960 0.005 0.000 0.298 394 G HA3 -0.342 3.621 3.960 0.005 0.000 0.298 394 G C 0.190 175.020 174.900 -0.116 0.000 1.195 394 G CA 0.484 45.507 45.100 -0.128 0.000 0.989 394 G HN 0.922 nan 8.290 nan 0.000 0.551 395 K N 0.461 120.760 120.400 -0.168 0.000 2.684 395 K HA 0.483 4.806 4.320 0.005 0.000 0.215 395 K C -0.135 176.397 176.600 -0.114 0.000 1.073 395 K CA -0.039 56.209 56.287 -0.065 0.000 1.197 395 K CB 0.007 32.481 32.500 -0.043 0.000 0.955 395 K HN 0.298 nan 8.250 nan 0.000 0.473 396 L N 1.700 122.786 121.223 -0.227 0.000 2.372 396 L HA 0.492 4.835 4.340 0.005 0.000 0.274 396 L C -0.573 176.316 176.870 0.033 0.000 0.988 396 L CA -0.657 54.079 54.840 -0.174 0.000 0.833 396 L CB 1.713 43.493 42.059 -0.466 0.000 1.236 396 L HN 0.032 nan 8.230 nan 0.000 0.410 397 I N 4.451 125.083 120.570 0.103 0.000 2.359 397 I HA 0.321 4.495 4.170 0.005 0.000 0.284 397 I C -0.762 175.440 176.117 0.141 0.000 1.018 397 I CA -0.652 60.719 61.300 0.119 0.000 1.173 397 I CB 0.699 38.787 38.000 0.147 0.000 1.326 397 I HN 0.502 nan 8.210 nan 0.000 0.462 398 Y N 5.712 126.001 120.300 -0.018 0.000 2.570 398 Y HA 0.871 5.424 4.550 0.005 0.000 0.345 398 Y C -1.562 174.320 175.900 -0.031 0.000 1.014 398 Y CA -1.324 56.760 58.100 -0.027 0.000 1.063 398 Y CB 1.424 39.857 38.460 -0.046 0.000 1.272 398 Y HN 0.250 nan 8.280 nan 0.000 0.477 399 L N 3.858 125.118 121.223 0.062 0.000 2.370 399 L HA 0.616 4.959 4.340 0.005 0.000 0.266 399 L C -0.629 176.355 176.870 0.189 0.000 1.002 399 L CA -1.048 53.793 54.840 0.001 0.000 0.818 399 L CB 2.295 44.360 42.059 0.010 0.000 1.325 399 L HN 0.911 nan 8.230 nan 0.000 0.418 400 M N 4.816 124.538 119.600 0.203 0.000 2.483 400 M HA 0.316 4.799 4.480 0.005 0.000 0.251 400 M C -2.829 173.615 176.300 0.241 0.000 1.157 400 M CA -1.114 54.355 55.300 0.281 0.000 0.837 400 M CB 1.482 34.334 32.600 0.420 0.000 2.535 400 M HN 0.175 nan 8.290 nan 0.000 0.374 401 P HA 0.464 nan 4.420 nan 0.000 0.276 401 P C -2.908 174.479 177.300 0.146 0.000 1.261 401 P CA -1.260 61.935 63.100 0.158 0.000 0.800 401 P CB -0.259 31.520 31.700 0.133 0.000 1.066 402 P HA 0.051 nan 4.420 nan 0.000 0.271 402 P C 0.678 178.071 177.300 0.155 0.000 1.218 402 P CA 0.204 63.295 63.100 -0.016 0.000 0.780 402 P CB -0.107 31.578 31.700 -0.024 0.000 0.901 403 Y N 1.780 122.099 120.300 0.031 0.000 2.403 403 Y HA -0.098 4.455 4.550 0.005 0.000 0.291 403 Y C 1.861 177.817 175.900 0.092 0.000 1.143 403 Y CA 0.709 58.854 58.100 0.076 0.000 1.257 403 Y CB -1.467 37.052 38.460 0.099 0.000 0.984 403 Y HN 0.319 nan 8.280 nan 0.000 0.550 404 I N -2.303 118.407 120.570 0.233 0.000 3.735 404 I HA 0.139 4.312 4.170 0.005 0.000 0.310 404 I C 0.792 176.990 176.117 0.134 0.000 1.270 404 I CA -0.031 61.377 61.300 0.180 0.000 1.207 404 I CB -0.336 37.769 38.000 0.176 0.000 1.013 404 I HN -0.082 nan 8.210 nan 0.000 0.452 405 I N 2.609 123.258 120.570 0.133 0.000 2.710 405 I HA 0.035 4.208 4.170 0.005 0.000 0.286 405 I C 0.121 176.289 176.117 0.085 0.000 1.181 405 I CA 0.003 61.365 61.300 0.104 0.000 1.430 405 I CB 0.540 38.602 38.000 0.105 0.000 1.367 405 I HN 0.186 nan 8.210 nan 0.000 0.577 406 L N 9.088 130.352 121.223 0.068 0.000 2.439 406 L HA 0.190 4.533 4.340 0.005 0.000 0.269 406 L C -1.463 175.436 176.870 0.048 0.000 1.179 406 L CA -1.327 53.544 54.840 0.053 0.000 0.828 406 L CB -0.037 42.048 42.059 0.043 0.000 1.106 406 L HN 0.516 nan 8.230 nan 0.000 0.467 407 P HA -0.234 nan 4.420 nan 0.000 0.217 407 P C 1.215 178.534 177.300 0.033 0.000 1.151 407 P CA 1.036 64.158 63.100 0.036 0.000 0.849 407 P CB 0.112 31.830 31.700 0.030 0.000 0.787 408 Q N -0.302 119.517 119.800 0.030 0.000 2.123 408 Q HA -0.181 4.162 4.340 0.005 0.000 0.199 408 Q C 2.102 178.118 176.000 0.027 0.000 0.966 408 Q CA 1.519 57.337 55.803 0.026 0.000 0.845 408 Q CB -0.203 28.549 28.738 0.023 0.000 0.907 408 Q HN 0.385 nan 8.270 nan 0.000 0.439 409 Q N -0.071 119.748 119.800 0.032 0.000 2.079 409 Q HA -0.138 4.205 4.340 0.005 0.000 0.200 409 Q C 2.121 178.141 176.000 0.032 0.000 0.974 409 Q CA 0.947 56.769 55.803 0.032 0.000 0.840 409 Q CB -0.054 28.709 28.738 0.042 0.000 0.898 409 Q HN 0.205 nan 8.270 nan 0.000 0.430 410 L N 1.210 122.457 121.223 0.040 0.000 2.046 410 L HA -0.228 4.115 4.340 0.005 0.000 0.208 410 L C 2.282 179.170 176.870 0.031 0.000 1.077 410 L CA 1.902 56.766 54.840 0.040 0.000 0.747 410 L CB -0.736 41.352 42.059 0.049 0.000 0.896 410 L HN 0.234 nan 8.230 nan 0.000 0.432 411 Q N -0.926 118.893 119.800 0.031 0.000 2.124 411 Q HA -0.228 4.115 4.340 0.005 0.000 0.202 411 Q C 2.335 178.352 176.000 0.029 0.000 0.977 411 Q CA 1.565 57.386 55.803 0.031 0.000 0.850 411 Q CB -0.006 28.750 28.738 0.029 0.000 0.901 411 Q HN 0.461 nan 8.270 nan 0.000 0.429 412 R N -0.267 120.246 120.500 0.022 0.000 2.120 412 R HA -0.112 4.231 4.340 0.005 0.000 0.234 412 R C 2.299 178.605 176.300 0.011 0.000 1.123 412 R CA 1.142 57.252 56.100 0.016 0.000 0.975 412 R CB -0.157 30.147 30.300 0.007 0.000 0.866 412 R HN 0.303 nan 8.270 nan 0.000 0.446 413 L N -0.172 121.052 121.223 0.001 0.000 2.027 413 L HA -0.155 4.188 4.340 0.005 0.000 0.206 413 L C 2.681 179.549 176.870 -0.003 0.000 1.074 413 L CA 1.757 56.581 54.840 -0.027 0.000 0.745 413 L CB -0.862 41.177 42.059 -0.034 0.000 0.898 413 L HN 0.364 nan 8.230 nan 0.000 0.433 414 T N -2.388 112.180 114.554 0.022 0.000 2.777 414 T HA -0.097 4.256 4.350 0.005 0.000 0.266 414 T C 1.992 176.733 174.700 0.068 0.000 1.040 414 T CA 0.856 62.981 62.100 0.042 0.000 1.141 414 T CB -0.452 68.441 68.868 0.042 0.000 0.868 414 T HN 0.287 nan 8.240 nan 0.000 0.444 415 A N 2.281 125.141 122.820 0.067 0.000 1.892 415 A HA 0.160 4.483 4.320 0.005 0.000 0.218 415 A C 2.865 180.535 177.584 0.142 0.000 1.188 415 A CA 2.338 54.429 52.037 0.089 0.000 0.631 415 A CB -1.531 17.512 19.000 0.071 0.000 0.822 415 A HN 0.790 nan 8.150 nan 0.000 0.447 416 A N -0.764 122.144 122.820 0.147 0.000 1.902 416 A HA -0.012 4.311 4.320 0.005 0.000 0.217 416 A C 2.257 180.086 177.584 0.409 0.000 1.181 416 A CA 1.865 54.065 52.037 0.272 0.000 0.623 416 A CB -0.988 18.131 19.000 0.198 0.000 0.818 416 A HN 0.428 nan 8.150 nan 0.000 0.443 417 V N 0.998 121.068 119.914 0.260 0.000 2.295 417 V HA -0.264 3.859 4.120 0.005 0.000 0.246 417 V C 2.295 178.528 176.094 0.230 0.000 1.049 417 V CA 2.122 64.579 62.300 0.263 0.000 1.024 417 V CB -0.880 31.018 31.823 0.124 0.000 0.648 417 V HN 0.581 nan 8.190 nan 0.000 0.447 418 N N -0.194 118.608 118.700 0.171 0.000 2.244 418 N HA -0.156 4.587 4.740 0.005 0.000 0.183 418 N C 2.043 177.639 175.510 0.144 0.000 1.016 418 N CA 1.182 54.311 53.050 0.133 0.000 0.866 418 N CB -0.181 38.365 38.487 0.099 0.000 0.980 418 N HN 0.440 nan 8.380 nan 0.000 0.430 419 R N 0.857 121.474 120.500 0.195 0.000 2.090 419 R HA 0.040 4.383 4.340 0.005 0.000 0.228 419 R C 2.085 178.464 176.300 0.131 0.000 1.110 419 R CA 1.112 57.328 56.100 0.195 0.000 0.973 419 R CB -0.058 30.437 30.300 0.325 0.000 0.869 419 R HN 0.095 nan 8.270 nan 0.000 0.440 420 A N 0.393 123.321 122.820 0.179 0.000 1.930 420 A HA -0.088 4.235 4.320 0.005 0.000 0.217 420 A C 1.889 179.601 177.584 0.213 0.000 1.175 420 A CA 1.476 53.545 52.037 0.053 0.000 0.627 420 A CB -0.296 18.752 19.000 0.079 0.000 0.815 420 A HN 0.314 nan 8.150 nan 0.000 0.443 421 V N -1.340 118.710 119.914 0.227 0.000 3.514 421 V HA 0.030 4.153 4.120 0.005 0.000 0.301 421 V C 1.687 177.829 176.094 0.080 0.000 1.346 421 V CA 0.977 63.419 62.300 0.236 0.000 1.156 421 V CB -0.565 31.365 31.823 0.179 0.000 1.029 421 V HN 0.708 nan 8.190 nan 0.000 0.428 422 Q N 2.024 121.863 119.800 0.066 0.000 2.297 422 Q HA -0.045 4.298 4.340 0.005 0.000 0.204 422 Q C 0.508 176.490 176.000 -0.030 0.000 0.962 422 Q CA 1.738 57.548 55.803 0.012 0.000 0.879 422 Q CB 0.109 28.862 28.738 0.025 0.000 0.947 422 Q HN 0.910 nan 8.270 nan 0.000 0.462 423 D N -1.211 119.170 120.400 -0.032 0.000 2.759 423 D HA -0.036 4.607 4.640 0.005 0.000 0.321 423 D C 0.078 176.361 176.300 -0.028 0.000 1.267 423 D CA -0.336 53.621 54.000 -0.072 0.000 0.933 423 D CB 0.023 40.762 40.800 -0.101 0.000 1.431 423 D HN 0.078 nan 8.370 nan 0.000 0.504 424 E N -0.566 119.606 120.200 -0.046 0.000 2.489 424 E HA 0.018 4.371 4.350 0.005 0.000 0.193 424 E C 0.779 177.422 176.600 0.073 0.000 1.057 424 E CA 0.230 56.673 56.400 0.071 0.000 0.866 424 E CB -0.590 29.116 29.700 0.009 0.000 0.916 424 E HN 0.477 nan 8.360 nan 0.000 0.500 425 T N 1.502 115.949 114.554 -0.178 0.000 2.624 425 T HA -0.210 4.143 4.350 0.005 0.000 0.266 425 T C 0.895 175.328 174.700 -0.445 0.000 1.050 425 T CA 1.733 63.550 62.100 -0.473 0.000 1.163 425 T CB -0.451 67.813 68.868 -1.006 0.000 0.861 425 T HN 0.324 nan 8.240 nan 0.000 0.443 426 F N 0.424 120.306 119.950 -0.114 0.000 2.798 426 F HA 0.429 4.959 4.527 0.005 0.000 0.291 426 F C -0.156 175.274 175.800 -0.616 0.000 1.174 426 F CA -0.914 56.863 58.000 -0.372 0.000 1.392 426 F CB -0.283 38.376 39.000 -0.568 0.000 0.966 426 F HN 0.023 nan 8.300 nan 0.000 0.509 427 F N -1.356 118.617 119.950 0.039 0.000 2.561 427 F HA 0.637 5.168 4.527 0.005 0.000 0.321 427 F C 0.430 176.256 175.800 0.044 0.000 1.065 427 F CA -1.115 56.917 58.000 0.052 0.000 0.934 427 F CB 1.313 40.345 39.000 0.054 0.000 1.215 427 F HN -0.045 nan 8.300 nan 0.000 0.471 428 C N 0.000 119.446 119.300 0.243 0.000 2.653 428 C HA 0.000 4.463 4.460 0.005 0.000 0.325 428 C CA 0.000 59.093 59.018 0.125 0.000 1.963 428 C CB 0.000 27.789 27.740 0.082 0.000 2.134 428 C HN 0.000 nan 8.230 nan 0.000 0.568