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 1nto_1_E DATA FIRST_RESID 1 DATA SEQUENCE MRAVRLVEIG KPLSLQEIGV PKPKGPQVLI KVEAAGVCHS DVHMRQGRFG DATA SEQUENCE NLRIVEDLGV KLPVTLGHEI AGKIEEVGDE VVGYSKGDLV AVNPWQGEGN DATA SEQUENCE CYYCRIGEEH LCDSPRWLGI NFDGAYAEYV IVPHYKYMYK LRRLNAVEAA DATA SEQUENCE PLTCSGITTY RAVRKASLDP TKTLLVVGAG GGLGTMAVQI AKAVSGATII DATA SEQUENCE GVDVREEAVE AAKRAGADYV INASMQDPLA EIRRITESKG VDAVIDLNYS DATA SEQUENCE EKTLSVYPKA LAKQGKYVMV GLFGADLHYH APLITLSEIQ FVGSLVGNQS DATA SEQUENCE DFLGIMRLAE AGKVKPMITK TMKLEEANEA IDNLENFKAI GRQVLIP 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 0.000 176.348 176.300 0.079 0.000 1.140 1 M CA 0.000 55.374 55.300 0.123 0.000 0.988 1 M CB 0.000 32.738 32.600 0.229 0.000 1.302 2 R N 1.261 121.798 120.500 0.061 0.000 2.531 2 R HA 0.870 5.210 4.340 0.000 0.000 0.273 2 R C -0.600 175.729 176.300 0.048 0.000 1.070 2 R CA -0.314 55.811 56.100 0.040 0.000 1.112 2 R CB 1.245 31.557 30.300 0.020 0.000 1.049 2 R HN 0.852 nan 8.270 nan 0.000 0.508 3 A N 1.513 124.362 122.820 0.049 0.000 2.532 3 A HA 0.348 4.668 4.320 0.000 0.000 0.296 3 A C -1.076 176.552 177.584 0.074 0.000 1.058 3 A CA -0.755 51.322 52.037 0.066 0.000 0.729 3 A CB 1.547 20.587 19.000 0.066 0.000 1.285 3 A HN 0.379 nan 8.150 nan 0.000 0.396 4 V N 3.494 123.477 119.914 0.115 0.000 2.406 4 V HA 0.552 4.672 4.120 0.000 0.000 0.272 4 V C 0.310 176.492 176.094 0.147 0.000 1.043 4 V CA -0.128 62.252 62.300 0.133 0.000 0.915 4 V CB 0.742 32.662 31.823 0.161 0.000 0.988 4 V HN 0.906 nan 8.190 nan 0.000 0.466 5 R N 3.790 124.344 120.500 0.090 0.000 2.854 5 R HA 0.638 4.978 4.340 0.000 0.000 0.271 5 R C -1.326 175.002 176.300 0.046 0.000 0.994 5 R CA -1.157 54.975 56.100 0.054 0.000 0.945 5 R CB 2.177 32.497 30.300 0.033 0.000 1.194 5 R HN 0.504 nan 8.270 nan 0.000 0.476 6 L N 2.450 123.689 121.223 0.026 0.000 2.282 6 L HA 0.200 4.540 4.340 0.000 0.000 0.287 6 L C 0.055 176.935 176.870 0.017 0.000 1.075 6 L CA 0.211 55.067 54.840 0.026 0.000 0.839 6 L CB 1.300 43.373 42.059 0.023 0.000 1.219 6 L HN 0.610 nan 8.230 nan 0.000 0.434 7 V N 3.200 123.125 119.914 0.019 0.000 3.307 7 V HA 0.239 4.359 4.120 0.000 0.000 0.253 7 V C 0.639 176.740 176.094 0.011 0.000 1.149 7 V CA 0.350 62.657 62.300 0.012 0.000 1.112 7 V CB -0.487 31.344 31.823 0.013 0.000 0.777 7 V HN 0.820 nan 8.190 nan 0.000 0.464 8 E N 0.166 120.376 120.200 0.016 0.000 2.311 8 E HA 0.365 4.715 4.350 0.000 0.000 0.281 8 E C -0.869 175.744 176.600 0.022 0.000 0.905 8 E CA -0.638 55.772 56.400 0.016 0.000 0.778 8 E CB 1.837 31.546 29.700 0.015 0.000 1.240 8 E HN 0.259 nan 8.360 nan 0.000 0.410 9 I N 3.005 123.588 120.570 0.023 0.000 3.094 9 I HA -0.057 4.113 4.170 0.000 0.000 0.291 9 I C 1.717 177.851 176.117 0.029 0.000 1.250 9 I CA 1.778 63.095 61.300 0.029 0.000 1.401 9 I CB 0.099 38.117 38.000 0.029 0.000 1.343 9 I HN 1.043 nan 8.210 nan 0.000 0.599 10 G N 3.379 112.200 108.800 0.034 0.000 3.163 10 G HA2 -0.397 3.563 3.960 0.000 0.000 0.227 10 G HA3 -0.397 3.563 3.960 0.000 0.000 0.227 10 G C 0.599 175.516 174.900 0.029 0.000 1.300 10 G CA 0.693 45.813 45.100 0.032 0.000 0.867 10 G HN 0.747 nan 8.290 nan 0.000 0.533 11 K N 3.308 123.724 120.400 0.026 0.000 2.355 11 K HA 0.377 4.697 4.320 0.000 0.000 0.270 11 K C -1.724 174.893 176.600 0.028 0.000 1.003 11 K CA -0.857 55.445 56.287 0.025 0.000 0.957 11 K CB 0.730 33.243 32.500 0.021 0.000 0.939 11 K HN 0.272 nan 8.250 nan 0.000 0.482 12 P HA -0.029 nan 4.420 nan 0.000 0.269 12 P C -0.308 177.014 177.300 0.036 0.000 1.209 12 P CA 0.013 63.131 63.100 0.030 0.000 0.776 12 P CB 0.443 32.157 31.700 0.024 0.000 0.876 13 L N 0.901 122.153 121.223 0.049 0.000 2.516 13 L HA 0.048 4.388 4.340 0.000 0.000 0.288 13 L C 1.245 178.144 176.870 0.049 0.000 1.246 13 L CA 0.596 55.473 54.840 0.061 0.000 0.844 13 L CB -0.337 41.784 42.059 0.103 0.000 1.106 13 L HN 0.446 nan 8.230 nan 0.000 0.509 14 S N 2.123 117.851 115.700 0.047 0.000 2.473 14 S HA 0.470 4.940 4.470 0.000 0.000 0.307 14 S C -0.699 173.925 174.600 0.040 0.000 1.094 14 S CA -0.827 57.395 58.200 0.036 0.000 1.070 14 S CB 1.309 64.525 63.200 0.028 0.000 1.019 14 S HN 0.409 nan 8.310 nan 0.000 0.480 15 L N 5.532 126.773 121.223 0.030 0.000 2.325 15 L HA 0.457 4.797 4.340 0.000 0.000 0.284 15 L C -0.116 176.769 176.870 0.026 0.000 1.089 15 L CA 0.731 55.588 54.840 0.028 0.000 0.836 15 L CB 0.279 42.348 42.059 0.017 0.000 1.184 15 L HN 0.757 nan 8.230 nan 0.000 0.444 16 Q N 2.583 122.401 119.800 0.030 0.000 2.306 16 Q HA 0.463 4.803 4.340 0.000 0.000 0.269 16 Q C -0.974 175.043 176.000 0.028 0.000 1.053 16 Q CA -0.837 54.981 55.803 0.026 0.000 0.879 16 Q CB 2.023 30.776 28.738 0.026 0.000 1.344 16 Q HN 0.494 nan 8.270 nan 0.000 0.464 17 E N 2.003 122.218 120.200 0.025 0.000 2.346 17 E HA 0.283 4.633 4.350 0.000 0.000 0.239 17 E C -1.199 175.417 176.600 0.027 0.000 0.943 17 E CA -0.287 56.130 56.400 0.028 0.000 0.751 17 E CB 0.042 29.756 29.700 0.023 0.000 1.241 17 E HN 0.527 nan 8.360 nan 0.000 0.423 18 I N -0.346 120.245 120.570 0.034 0.000 3.205 18 I HA 0.872 5.042 4.170 0.000 0.000 0.310 18 I C 0.683 176.819 176.117 0.032 0.000 1.089 18 I CA -1.460 59.857 61.300 0.029 0.000 1.023 18 I CB 1.481 39.498 38.000 0.029 0.000 1.269 18 I HN 0.385 nan 8.210 nan 0.000 0.512 19 G N 0.986 109.799 108.800 0.022 0.000 2.448 19 G HA2 0.478 4.438 3.960 0.000 0.000 0.285 19 G HA3 0.478 4.438 3.960 0.000 0.000 0.285 19 G C -0.545 174.365 174.900 0.015 0.000 1.176 19 G CA -0.545 44.563 45.100 0.013 0.000 0.852 19 G HN 0.477 nan 8.290 nan 0.000 0.530 20 V N 3.354 123.261 119.914 -0.011 0.000 2.405 20 V HA 0.135 4.255 4.120 0.000 0.000 0.264 20 V C -1.460 174.601 176.094 -0.056 0.000 1.048 20 V CA -1.019 61.253 62.300 -0.047 0.000 0.966 20 V CB 0.572 32.279 31.823 -0.194 0.000 1.015 20 V HN 0.586 nan 8.190 nan 0.000 0.477 21 P HA 0.119 nan 4.420 nan 0.000 0.267 21 P C -0.512 176.765 177.300 -0.038 0.000 1.201 21 P CA -0.297 62.794 63.100 -0.015 0.000 0.775 21 P CB 0.439 32.147 31.700 0.014 0.000 0.854 22 K N 3.223 123.608 120.400 -0.026 0.000 2.293 22 K HA 0.340 4.660 4.320 0.000 0.000 0.267 22 K C -2.414 174.177 176.600 -0.015 0.000 1.010 22 K CA -2.414 53.854 56.287 -0.032 0.000 0.875 22 K CB 0.222 32.705 32.500 -0.028 0.000 1.106 22 K HN 0.249 nan 8.250 nan 0.000 0.450 23 P HA 0.098 nan 4.420 nan 0.000 0.271 23 P C -1.364 175.934 177.300 -0.004 0.000 1.226 23 P CA -0.138 62.960 63.100 -0.003 0.000 0.765 23 P CB 0.536 32.232 31.700 -0.005 0.000 0.835 24 K N 1.594 121.997 120.400 0.005 0.000 2.375 24 K HA 0.634 4.954 4.320 0.000 0.000 0.249 24 K C 0.525 177.130 176.600 0.009 0.000 0.942 24 K CA -0.473 55.816 56.287 0.005 0.000 0.806 24 K CB 1.579 34.085 32.500 0.010 0.000 1.227 24 K HN 0.532 nan 8.250 nan 0.000 0.430 25 G N 2.598 111.401 108.800 0.005 0.000 2.574 25 G HA2 -0.297 3.663 3.960 0.000 0.000 0.301 25 G HA3 -0.297 3.663 3.960 0.000 0.000 0.301 25 G C -1.571 173.330 174.900 0.001 0.000 1.166 25 G CA 0.229 45.335 45.100 0.010 0.000 0.971 25 G HN 0.622 nan 8.290 nan 0.000 0.542 26 P HA 0.160 nan 4.420 nan 0.000 0.261 26 P C 0.385 177.671 177.300 -0.024 0.000 1.268 26 P CA 0.343 63.411 63.100 -0.053 0.000 0.833 26 P CB 0.150 31.624 31.700 -0.376 0.000 1.231 27 Q N 0.021 119.822 119.800 0.002 0.000 2.354 27 Q HA 0.403 4.743 4.340 0.000 0.000 0.244 27 Q C -0.394 175.617 176.000 0.018 0.000 0.969 27 Q CA -0.241 55.576 55.803 0.023 0.000 0.885 27 Q CB 1.381 30.137 28.738 0.029 0.000 1.241 27 Q HN -0.094 nan 8.270 nan 0.000 0.461 28 V N 2.303 122.230 119.914 0.022 0.000 2.709 28 V HA 0.298 4.418 4.120 0.000 0.000 0.308 28 V C -1.059 175.048 176.094 0.022 0.000 1.062 28 V CA -0.858 61.446 62.300 0.008 0.000 0.901 28 V CB 1.797 33.609 31.823 -0.019 0.000 1.003 28 V HN 0.542 nan 8.190 nan 0.000 0.425 29 L N 6.153 127.392 121.223 0.026 0.000 2.264 29 L HA 0.634 4.974 4.340 0.000 0.000 0.289 29 L C -0.550 176.375 176.870 0.092 0.000 1.044 29 L CA 0.404 55.276 54.840 0.053 0.000 0.807 29 L CB 0.700 42.771 42.059 0.019 0.000 1.192 29 L HN 0.526 nan 8.230 nan 0.000 0.425 30 I N 4.604 125.246 120.570 0.120 0.000 2.441 30 I HA 0.343 4.513 4.170 0.000 0.000 0.295 30 I C -0.067 176.155 176.117 0.175 0.000 0.994 30 I CA -0.894 60.478 61.300 0.120 0.000 1.144 30 I CB 1.684 39.721 38.000 0.062 0.000 1.314 30 I HN 0.558 nan 8.210 nan 0.000 0.445 31 K N 5.708 126.191 120.400 0.138 0.000 2.273 31 K HA 0.311 4.631 4.320 0.000 0.000 0.287 31 K C -0.829 175.712 176.600 -0.098 0.000 1.089 31 K CA -0.453 55.807 56.287 -0.045 0.000 0.909 31 K CB 0.703 33.210 32.500 0.012 0.000 1.123 31 K HN 0.395 nan 8.250 nan 0.000 0.473 32 V N 4.996 124.816 119.914 -0.155 0.000 2.485 32 V HA -0.033 4.087 4.120 0.000 0.000 0.287 32 V C 0.906 176.946 176.094 -0.089 0.000 1.022 32 V CA 0.623 62.870 62.300 -0.089 0.000 1.067 32 V CB 0.810 32.588 31.823 -0.076 0.000 0.967 32 V HN 0.900 nan 8.190 nan 0.000 0.479 33 E N 2.891 123.063 120.200 -0.048 0.000 2.511 33 E HA 0.478 4.828 4.350 0.000 0.000 0.209 33 E C 0.349 176.929 176.600 -0.033 0.000 0.986 33 E CA 0.379 56.754 56.400 -0.041 0.000 0.974 33 E CB 1.137 30.824 29.700 -0.021 0.000 1.030 33 E HN 0.801 nan 8.360 nan 0.000 0.490 34 A N 1.055 123.860 122.820 -0.027 0.000 2.500 34 A HA 0.666 4.986 4.320 0.000 0.000 0.291 34 A C -1.395 176.179 177.584 -0.017 0.000 1.048 34 A CA -0.439 51.584 52.037 -0.023 0.000 0.791 34 A CB 1.324 20.319 19.000 -0.009 0.000 1.309 34 A HN 0.052 nan 8.150 nan 0.000 0.397 35 A N 2.069 124.874 122.820 -0.025 0.000 2.409 35 A HA 0.720 5.040 4.320 0.000 0.000 0.300 35 A C 0.521 178.099 177.584 -0.009 0.000 1.273 35 A CA 0.141 52.181 52.037 0.005 0.000 0.774 35 A CB 0.263 19.289 19.000 0.044 0.000 1.144 35 A HN 1.992 nan 8.150 nan 0.000 0.472 36 G N 0.556 109.347 108.800 -0.016 0.000 2.544 36 G HA2 0.482 4.442 3.960 0.000 0.000 0.242 36 G HA3 0.482 4.442 3.960 0.000 0.000 0.242 36 G C -0.419 174.480 174.900 -0.002 0.000 1.247 36 G CA -0.079 45.007 45.100 -0.022 0.000 0.840 36 G HN 0.888 nan 8.290 nan 0.000 0.578 37 V N 1.313 121.233 119.914 0.009 0.000 2.531 37 V HA 0.525 4.645 4.120 0.000 0.000 0.301 37 V C 0.422 176.549 176.094 0.055 0.000 1.034 37 V CA -0.803 61.533 62.300 0.061 0.000 0.865 37 V CB 0.658 32.492 31.823 0.018 0.000 0.995 37 V HN 1.224 nan 8.190 nan 0.000 0.424 38 C N 2.231 121.593 119.300 0.105 0.000 3.161 38 C HA 0.630 5.090 4.460 0.000 0.000 0.330 38 C C 1.766 176.816 174.990 0.100 0.000 1.396 38 C CA -0.436 58.654 59.018 0.119 0.000 1.536 38 C CB 1.312 29.167 27.740 0.191 0.000 1.978 38 C HN 0.960 nan 8.230 nan 0.000 0.454 39 H N 1.141 120.208 119.070 -0.006 0.000 2.390 39 H HA -0.067 4.489 4.556 0.000 0.000 0.298 39 H C 2.017 177.319 175.328 -0.043 0.000 1.106 39 H CA 2.706 58.700 56.048 -0.089 0.000 1.297 39 H CB 0.004 29.693 29.762 -0.122 0.000 1.375 39 H HN 0.700 nan 8.280 nan 0.000 0.509 40 S N 0.009 115.763 115.700 0.090 0.000 2.402 40 S HA -0.181 4.289 4.470 0.000 0.000 0.233 40 S C 1.503 176.154 174.600 0.085 0.000 1.030 40 S CA 1.403 59.658 58.200 0.092 0.000 1.003 40 S CB -0.185 63.107 63.200 0.153 0.000 0.813 40 S HN 0.588 nan 8.310 nan 0.000 0.477 41 D N 0.733 121.197 120.400 0.107 0.000 2.264 41 D HA -0.009 4.631 4.640 0.000 0.000 0.208 41 D C 1.908 178.182 176.300 -0.044 0.000 0.966 41 D CA 0.451 54.509 54.000 0.095 0.000 0.864 41 D CB -0.176 40.715 40.800 0.152 0.000 0.933 41 D HN 0.242 nan 8.370 nan 0.000 0.499 42 V N 1.294 121.049 119.914 -0.265 0.000 2.270 42 V HA -0.211 3.909 4.120 0.000 0.000 0.245 42 V C 2.143 178.057 176.094 -0.299 0.000 1.043 42 V CA 1.479 63.539 62.300 -0.400 0.000 1.014 42 V CB -0.481 30.826 31.823 -0.859 0.000 0.645 42 V HN 0.293 nan 8.190 nan 0.000 0.447 43 H N -1.650 117.322 119.070 -0.163 0.000 2.524 43 H HA 0.046 4.602 4.556 0.000 0.000 0.282 43 H C 2.208 177.552 175.328 0.026 0.000 1.016 43 H CA 0.924 56.941 56.048 -0.051 0.000 1.270 43 H CB -0.049 29.683 29.762 -0.050 0.000 1.394 43 H HN 0.276 nan 8.280 nan 0.000 0.568 44 M N 0.287 119.970 119.600 0.139 0.000 2.123 44 M HA -0.087 4.393 4.480 0.000 0.000 0.263 44 M C 2.199 178.562 176.300 0.105 0.000 1.069 44 M CA 0.974 56.372 55.300 0.163 0.000 1.133 44 M CB -0.586 32.120 32.600 0.177 0.000 1.356 44 M HN 0.101 nan 8.290 nan 0.000 0.415 45 R N 0.476 121.016 120.500 0.067 0.000 2.355 45 R HA -0.137 4.203 4.340 0.000 0.000 0.219 45 R C 0.661 176.994 176.300 0.056 0.000 1.107 45 R CA 0.924 57.056 56.100 0.054 0.000 1.021 45 R CB 0.090 30.413 30.300 0.038 0.000 0.852 45 R HN 0.502 nan 8.270 nan 0.000 0.475 46 Q N -1.089 118.755 119.800 0.073 0.000 2.225 46 Q HA 0.183 4.523 4.340 0.000 0.000 0.259 46 Q C 0.475 176.523 176.000 0.080 0.000 0.872 46 Q CA 0.262 56.111 55.803 0.076 0.000 1.042 46 Q CB 1.307 30.103 28.738 0.097 0.000 1.142 46 Q HN 0.456 nan 8.270 nan 0.000 0.463 47 G N 0.925 109.771 108.800 0.078 0.000 2.225 47 G HA2 -0.341 3.619 3.960 0.000 0.000 0.272 47 G HA3 -0.341 3.619 3.960 0.000 0.000 0.272 47 G C 0.199 175.157 174.900 0.097 0.000 0.996 47 G CA 0.648 45.793 45.100 0.075 0.000 0.710 47 G HN 0.237 nan 8.290 nan 0.000 0.522 48 R N -1.731 118.847 120.500 0.130 0.000 2.892 48 R HA 0.771 5.111 4.340 0.000 0.000 0.265 48 R C -0.907 175.545 176.300 0.252 0.000 1.025 48 R CA -0.358 55.832 56.100 0.150 0.000 0.982 48 R CB 1.523 31.881 30.300 0.095 0.000 1.185 48 R HN 0.693 nan 8.270 nan 0.000 0.484 49 F N 0.242 120.239 119.950 0.078 0.000 2.872 49 F HA 0.495 5.022 4.527 0.000 0.000 0.365 49 F C 0.796 176.644 175.800 0.080 0.000 1.296 49 F CA 0.685 58.753 58.000 0.114 0.000 1.199 49 F CB 0.708 39.802 39.000 0.156 0.000 1.687 49 F HN 0.888 nan 8.300 nan 0.000 0.604 50 G N 4.000 112.696 108.800 -0.174 0.000 3.586 50 G HA2 -0.382 3.578 3.960 0.000 0.000 0.212 50 G HA3 -0.382 3.578 3.960 0.000 0.000 0.212 50 G C 0.439 175.288 174.900 -0.085 0.000 1.411 50 G CA 0.629 45.631 45.100 -0.162 0.000 0.898 50 G HN 1.292 nan 8.290 nan 0.000 0.575 51 N N -1.363 117.339 118.700 0.002 0.000 1.890 51 N HA 0.344 5.084 4.740 0.000 0.000 0.221 51 N C -0.086 175.445 175.510 0.034 0.000 1.445 51 N CA 0.138 53.188 53.050 -0.001 0.000 0.703 51 N CB -0.116 38.361 38.487 -0.017 0.000 1.071 51 N HN 0.632 nan 8.380 nan 0.000 0.582 52 L N 0.590 121.862 121.223 0.081 0.000 2.416 52 L HA 0.615 4.955 4.340 0.000 0.000 0.263 52 L C 0.345 177.262 176.870 0.078 0.000 1.065 52 L CA -0.565 54.319 54.840 0.074 0.000 0.798 52 L CB 0.694 42.805 42.059 0.087 0.000 1.267 52 L HN 0.043 nan 8.230 nan 0.000 0.467 53 R N 0.711 121.239 120.500 0.047 0.000 2.310 53 R HA 0.383 4.723 4.340 0.000 0.000 0.324 53 R C 1.182 177.498 176.300 0.027 0.000 0.955 53 R CA -0.396 55.729 56.100 0.043 0.000 0.830 53 R CB 1.053 31.366 30.300 0.022 0.000 1.154 53 R HN 0.692 nan 8.270 nan 0.000 0.458 54 I N -0.179 120.418 120.570 0.044 0.000 2.399 54 I HA -0.245 3.925 4.170 0.000 0.000 0.254 54 I C 1.096 177.202 176.117 -0.018 0.000 1.146 54 I CA 1.273 62.581 61.300 0.012 0.000 1.412 54 I CB -0.308 37.715 38.000 0.037 0.000 1.076 54 I HN 0.259 nan 8.210 nan 0.000 0.432 55 V N 1.144 121.053 119.914 -0.008 0.000 2.300 55 V HA -0.104 4.016 4.120 0.000 0.000 0.241 55 V C 2.534 178.612 176.094 -0.027 0.000 1.034 55 V CA 1.772 64.059 62.300 -0.021 0.000 1.021 55 V CB -0.638 31.179 31.823 -0.011 0.000 0.662 55 V HN 0.286 nan 8.190 nan 0.000 0.458 56 E N 0.547 120.737 120.200 -0.017 0.000 2.028 56 E HA -0.126 4.224 4.350 0.000 0.000 0.190 56 E C 1.985 178.568 176.600 -0.029 0.000 0.984 56 E CA 1.471 57.859 56.400 -0.019 0.000 0.800 56 E CB -0.306 29.388 29.700 -0.010 0.000 0.758 56 E HN 0.578 nan 8.360 nan 0.000 0.448 57 D N -0.413 119.969 120.400 -0.031 0.000 2.144 57 D HA -0.026 4.614 4.640 0.000 0.000 0.207 57 D C 1.476 177.728 176.300 -0.080 0.000 0.970 57 D CA 0.666 54.638 54.000 -0.047 0.000 0.853 57 D CB 0.011 40.789 40.800 -0.037 0.000 1.007 57 D HN 0.077 nan 8.370 nan 0.000 0.469 58 L N 0.303 121.471 121.223 -0.092 0.000 2.591 58 L HA 0.236 4.576 4.340 0.000 0.000 0.228 58 L C 1.282 178.094 176.870 -0.096 0.000 1.133 58 L CA 0.291 55.051 54.840 -0.134 0.000 0.880 58 L CB -0.575 41.385 42.059 -0.165 0.000 1.033 58 L HN 0.076 nan 8.230 nan 0.000 0.450 59 G N 0.379 109.135 108.800 -0.074 0.000 2.338 59 G HA2 -0.256 3.705 3.960 0.000 0.000 0.296 59 G HA3 -0.256 3.705 3.960 0.000 0.000 0.296 59 G C 0.189 175.035 174.900 -0.090 0.000 1.040 59 G CA 0.422 45.480 45.100 -0.071 0.000 1.004 59 G HN 0.176 nan 8.290 nan 0.000 0.509 60 V N -0.038 119.829 119.914 -0.078 0.000 2.461 60 V HA 0.581 4.701 4.120 0.000 0.000 0.275 60 V C 0.666 176.712 176.094 -0.080 0.000 1.047 60 V CA -0.471 61.775 62.300 -0.091 0.000 0.955 60 V CB 1.429 33.217 31.823 -0.058 0.000 0.988 60 V HN 0.440 nan 8.190 nan 0.000 0.471 61 K N 6.943 127.281 120.400 -0.104 0.000 2.244 61 K HA 0.386 4.706 4.320 0.000 0.000 0.263 61 K C -0.756 175.804 176.600 -0.067 0.000 1.103 61 K CA -0.327 55.911 56.287 -0.082 0.000 0.966 61 K CB -0.013 32.429 32.500 -0.095 0.000 1.429 61 K HN 0.512 nan 8.250 nan 0.000 0.434 62 L N 5.479 126.676 121.223 -0.044 0.000 2.529 62 L HA 0.142 4.482 4.340 0.000 0.000 0.287 62 L C -1.667 175.185 176.870 -0.029 0.000 1.241 62 L CA -0.456 54.365 54.840 -0.031 0.000 0.857 62 L CB -0.421 41.629 42.059 -0.016 0.000 1.113 62 L HN 0.646 nan 8.230 nan 0.000 0.504 63 P HA 0.253 nan 4.420 nan 0.000 0.282 63 P C -1.190 176.094 177.300 -0.026 0.000 1.249 63 P CA -0.348 62.742 63.100 -0.016 0.000 0.806 63 P CB 1.963 33.660 31.700 -0.005 0.000 0.984 64 V N 2.147 122.048 119.914 -0.022 0.000 2.656 64 V HA 0.326 4.446 4.120 0.000 0.000 0.307 64 V C -0.349 175.731 176.094 -0.022 0.000 1.051 64 V CA -0.430 61.852 62.300 -0.030 0.000 0.893 64 V CB 2.098 33.898 31.823 -0.038 0.000 0.999 64 V HN 0.593 nan 8.190 nan 0.000 0.426 65 T N 8.036 122.578 114.554 -0.020 0.000 2.779 65 T HA 0.385 4.735 4.350 0.000 0.000 0.296 65 T C 0.083 174.713 174.700 -0.116 0.000 0.938 65 T CA -0.008 62.076 62.100 -0.027 0.000 1.119 65 T CB 0.460 69.334 68.868 0.009 0.000 0.891 65 T HN 0.423 nan 8.240 nan 0.000 0.526 66 L N 2.128 123.197 121.223 -0.256 0.000 2.464 66 L HA 0.572 4.912 4.340 0.000 0.000 0.224 66 L C 1.284 177.668 176.870 -0.811 0.000 1.219 66 L CA 0.578 55.109 54.840 -0.515 0.000 0.831 66 L CB -0.213 41.434 42.059 -0.687 0.000 1.284 66 L HN 0.966 nan 8.230 nan 0.000 0.522 67 G N -0.509 107.797 108.800 -0.825 0.000 2.662 67 G HA2 -0.088 3.872 3.960 0.000 0.000 0.558 67 G HA3 -0.088 3.872 3.960 0.000 0.000 0.558 67 G C -0.025 174.725 174.900 -0.249 0.000 1.081 67 G CA -0.006 44.789 45.100 -0.508 0.000 1.261 67 G HN 1.035 nan 8.290 nan 0.000 0.559 68 H N -0.205 118.774 119.070 -0.152 0.000 2.549 68 H HA 0.295 4.851 4.556 0.000 0.000 0.279 68 H C 0.020 175.219 175.328 -0.214 0.000 1.018 68 H CA 0.358 56.254 56.048 -0.253 0.000 1.175 68 H CB 1.042 30.599 29.762 -0.342 0.000 1.485 68 H HN 0.547 nan 8.280 nan 0.000 0.543 69 E N 2.032 122.021 120.200 -0.352 0.000 2.183 69 E HA 0.449 4.799 4.350 0.000 0.000 0.250 69 E C -0.813 175.739 176.600 -0.081 0.000 0.901 69 E CA -0.382 55.923 56.400 -0.158 0.000 0.741 69 E CB 1.707 31.322 29.700 -0.142 0.000 1.182 69 E HN 0.330 nan 8.360 nan 0.000 0.425 70 I N 1.794 122.329 120.570 -0.057 0.000 2.466 70 I HA 0.682 4.852 4.170 0.000 0.000 0.289 70 I C -0.414 175.713 176.117 0.017 0.000 1.026 70 I CA -0.910 60.374 61.300 -0.027 0.000 1.078 70 I CB 1.966 39.935 38.000 -0.052 0.000 1.249 70 I HN 0.374 nan 8.210 nan 0.000 0.429 71 A N 4.105 126.939 122.820 0.022 0.000 2.449 71 A HA 1.015 5.335 4.320 0.000 0.000 0.302 71 A C -0.407 177.192 177.584 0.026 0.000 1.048 71 A CA -0.368 51.695 52.037 0.043 0.000 0.708 71 A CB 1.920 20.948 19.000 0.048 0.000 1.274 71 A HN 0.972 nan 8.150 nan 0.000 0.410 72 G N 0.429 109.252 108.800 0.038 0.000 2.428 72 G HA2 0.519 4.479 3.960 0.000 0.000 0.304 72 G HA3 0.519 4.479 3.960 0.000 0.000 0.304 72 G C -1.691 173.235 174.900 0.043 0.000 1.303 72 G CA -0.798 44.318 45.100 0.025 0.000 0.825 72 G HN 0.653 nan 8.290 nan 0.000 0.484 73 K N 0.196 120.620 120.400 0.040 0.000 2.182 73 K HA 0.490 4.810 4.320 0.000 0.000 0.262 73 K C -0.040 176.602 176.600 0.069 0.000 0.957 73 K CA -0.650 55.669 56.287 0.054 0.000 0.842 73 K CB 2.154 34.681 32.500 0.046 0.000 1.099 73 K HN 0.346 nan 8.250 nan 0.000 0.438 74 I N 3.322 123.935 120.570 0.072 0.000 2.664 74 I HA -0.126 4.044 4.170 0.000 0.000 0.284 74 I C 1.425 177.588 176.117 0.077 0.000 1.154 74 I CA 0.357 61.700 61.300 0.071 0.000 1.402 74 I CB 0.533 38.575 38.000 0.071 0.000 1.395 74 I HN 0.733 nan 8.210 nan 0.000 0.545 75 E N 4.816 125.073 120.200 0.095 0.000 2.057 75 E HA -0.012 4.338 4.350 0.000 0.000 0.190 75 E C 0.015 176.639 176.600 0.040 0.000 0.969 75 E CA 1.155 57.614 56.400 0.098 0.000 0.812 75 E CB 0.389 30.189 29.700 0.167 0.000 0.777 75 E HN 0.581 nan 8.360 nan 0.000 0.455 76 E N -0.778 119.437 120.200 0.024 0.000 2.352 76 E HA 0.392 4.742 4.350 0.000 0.000 0.280 76 E C -1.602 174.997 176.600 -0.002 0.000 0.930 76 E CA -0.744 55.656 56.400 0.000 0.000 0.765 76 E CB 1.921 31.606 29.700 -0.025 0.000 1.219 76 E HN 0.023 nan 8.360 nan 0.000 0.434 77 V N 0.974 120.881 119.914 -0.011 0.000 2.667 77 V HA 0.991 5.111 4.120 0.000 0.000 0.308 77 V C 0.671 176.745 176.094 -0.033 0.000 1.048 77 V CA -0.208 62.078 62.300 -0.025 0.000 0.928 77 V CB 1.489 33.290 31.823 -0.037 0.000 1.004 77 V HN 0.665 nan 8.190 nan 0.000 0.444 78 G N 2.084 110.863 108.800 -0.036 0.000 2.667 78 G HA2 0.207 4.168 3.960 0.000 0.000 0.250 78 G HA3 0.207 4.168 3.960 0.000 0.000 0.250 78 G C 0.622 175.494 174.900 -0.046 0.000 1.212 78 G CA 0.378 45.459 45.100 -0.031 0.000 0.874 78 G HN 1.063 nan 8.290 nan 0.000 0.561 79 D N -1.090 119.291 120.400 -0.032 0.000 2.310 79 D HA -0.113 4.527 4.640 0.000 0.000 0.212 79 D C 1.265 177.539 176.300 -0.043 0.000 0.965 79 D CA 1.045 55.024 54.000 -0.034 0.000 0.879 79 D CB 0.075 40.864 40.800 -0.019 0.000 0.921 79 D HN 0.660 nan 8.370 nan 0.000 0.510 80 E N 0.178 120.353 120.200 -0.042 0.000 2.481 80 E HA 0.120 4.470 4.350 0.000 0.000 0.198 80 E C 0.172 176.693 176.600 -0.131 0.000 1.027 80 E CA -0.240 56.141 56.400 -0.031 0.000 0.900 80 E CB 1.277 30.997 29.700 0.033 0.000 0.993 80 E HN 0.063 nan 8.360 nan 0.000 0.482 81 V N 2.462 122.218 119.914 -0.264 0.000 2.529 81 V HA 0.008 4.129 4.120 0.000 0.000 0.292 81 V C 0.197 175.934 176.094 -0.595 0.000 1.028 81 V CA 0.186 62.064 62.300 -0.704 0.000 1.074 81 V CB 0.906 32.484 31.823 -0.407 0.000 0.958 81 V HN -0.086 nan 8.190 nan 0.000 0.481 82 V N 3.763 123.159 119.914 -0.864 0.000 2.680 82 V HA 0.833 4.953 4.120 0.000 0.000 0.309 82 V C 0.931 176.888 176.094 -0.229 0.000 1.052 82 V CA 0.353 62.450 62.300 -0.339 0.000 0.908 82 V CB 1.267 33.012 31.823 -0.129 0.000 1.001 82 V HN 1.079 nan 8.190 nan 0.000 0.431 83 G N 2.765 111.455 108.800 -0.183 0.000 2.176 83 G HA2 -0.244 3.716 3.960 0.000 0.000 0.253 83 G HA3 -0.244 3.716 3.960 0.000 0.000 0.253 83 G C -0.408 174.136 174.900 -0.594 0.000 0.979 83 G CA 0.388 45.294 45.100 -0.324 0.000 0.641 83 G HN 0.671 nan 8.290 nan 0.000 0.530 84 Y N 0.111 120.348 120.300 -0.105 0.000 2.524 84 Y HA 0.717 5.267 4.550 0.000 0.000 0.347 84 Y C 0.290 176.149 175.900 -0.068 0.000 1.005 84 Y CA -0.646 57.416 58.100 -0.063 0.000 1.025 84 Y CB 2.357 40.795 38.460 -0.036 0.000 1.275 84 Y HN 0.150 nan 8.280 nan 0.000 0.460 85 S N 0.873 116.638 115.700 0.108 0.000 2.570 85 S HA 0.397 4.868 4.470 0.000 0.000 0.286 85 S C -1.037 173.599 174.600 0.060 0.000 1.099 85 S CA -1.269 56.960 58.200 0.050 0.000 0.913 85 S CB 1.754 64.962 63.200 0.013 0.000 1.085 85 S HN 0.484 nan 8.310 nan 0.000 0.480 86 K N 0.563 120.985 120.400 0.037 0.000 2.569 86 K HA 0.193 4.513 4.320 0.000 0.000 0.280 86 K C 1.259 177.884 176.600 0.042 0.000 0.984 86 K CA 1.570 57.880 56.287 0.038 0.000 1.064 86 K CB -0.135 32.379 32.500 0.024 0.000 0.866 86 K HN 0.960 nan 8.250 nan 0.000 0.492 87 G N 2.904 111.734 108.800 0.050 0.000 2.284 87 G HA2 -0.221 3.739 3.960 0.000 0.000 0.230 87 G HA3 -0.221 3.739 3.960 0.000 0.000 0.230 87 G C -0.368 174.564 174.900 0.054 0.000 1.021 87 G CA 0.014 45.142 45.100 0.046 0.000 0.619 87 G HN 0.697 nan 8.290 nan 0.000 0.510 88 D N 0.894 121.337 120.400 0.072 0.000 2.493 88 D HA 0.349 4.989 4.640 0.000 0.000 0.240 88 D C 0.481 176.837 176.300 0.093 0.000 1.142 88 D CA 0.033 54.088 54.000 0.092 0.000 0.872 88 D CB 1.312 42.205 40.800 0.155 0.000 1.173 88 D HN 0.332 nan 8.370 nan 0.000 0.467 89 L N 4.149 125.423 121.223 0.085 0.000 2.290 89 L HA 0.353 4.693 4.340 0.000 0.000 0.284 89 L C -0.489 176.451 176.870 0.117 0.000 1.078 89 L CA -0.328 54.562 54.840 0.083 0.000 0.815 89 L CB 1.011 43.110 42.059 0.066 0.000 1.162 89 L HN 0.229 nan 8.230 nan 0.000 0.435 90 V N 2.318 122.304 119.914 0.120 0.000 3.130 90 V HA 1.026 5.146 4.120 0.000 0.000 0.310 90 V C -0.355 175.836 176.094 0.161 0.000 1.158 90 V CA -0.440 61.958 62.300 0.164 0.000 1.029 90 V CB 1.146 33.060 31.823 0.152 0.000 1.057 90 V HN 1.017 nan 8.190 nan 0.000 0.436 91 A N 1.459 124.422 122.820 0.239 0.000 2.299 91 A HA 0.965 5.285 4.320 0.000 0.000 0.332 91 A C -0.690 177.084 177.584 0.318 0.000 1.131 91 A CA -0.810 51.380 52.037 0.255 0.000 0.844 91 A CB 1.842 21.015 19.000 0.288 0.000 1.251 91 A HN 1.498 nan 8.150 nan 0.000 0.486 92 V N 1.810 121.837 119.914 0.187 0.000 2.588 92 V HA 0.305 4.425 4.120 0.000 0.000 0.304 92 V C -0.372 175.507 176.094 -0.358 0.000 1.042 92 V CA -0.957 61.333 62.300 -0.017 0.000 0.877 92 V CB 1.781 33.557 31.823 -0.079 0.000 0.996 92 V HN 0.904 nan 8.190 nan 0.000 0.425 93 N N 6.946 125.185 118.700 -0.768 0.000 2.411 93 N HA 0.287 5.027 4.740 0.000 0.000 0.259 93 N C -1.537 173.549 175.510 -0.707 0.000 1.103 93 N CA -1.963 50.465 53.050 -1.037 0.000 0.954 93 N CB 1.687 39.534 38.487 -1.067 0.000 1.085 93 N HN 0.355 nan 8.380 nan 0.000 0.485 94 P HA 0.098 nan 4.420 nan 0.000 0.251 94 P C -0.484 176.165 177.300 -1.084 0.000 1.223 94 P CA 0.243 62.742 63.100 -1.000 0.000 0.796 94 P CB -0.099 30.945 31.700 -1.095 0.000 1.068 95 W N 2.141 123.150 121.300 -0.484 0.000 1.738 95 W HA 0.370 5.030 4.660 0.000 0.000 0.399 95 W C 0.140 176.538 176.519 -0.202 0.000 0.744 95 W CA -0.742 56.297 57.345 -0.510 0.000 1.695 95 W CB -0.194 28.974 29.460 -0.487 0.000 1.820 95 W HN -0.041 nan 8.180 nan 0.000 0.262 96 Q N 1.107 120.811 119.800 -0.159 0.000 2.222 96 Q HA 0.670 5.010 4.340 0.000 0.000 0.252 96 Q C 0.561 176.540 176.000 -0.036 0.000 0.926 96 Q CA -0.604 54.971 55.803 -0.381 0.000 0.899 96 Q CB 1.986 30.105 28.738 -1.031 0.000 1.250 96 Q HN 0.421 nan 8.270 nan 0.000 0.441 97 G N 0.505 109.340 108.800 0.059 0.000 2.597 97 G HA2 0.325 4.285 3.960 0.000 0.000 0.317 97 G HA3 0.325 4.285 3.960 0.000 0.000 0.317 97 G C -0.078 174.860 174.900 0.063 0.000 1.230 97 G CA -0.650 44.505 45.100 0.091 0.000 0.996 97 G HN 0.700 nan 8.290 nan 0.000 0.490 98 E N -1.599 118.632 120.200 0.053 0.000 2.452 98 E HA 0.317 4.667 4.350 0.000 0.000 0.197 98 E C 1.536 178.164 176.600 0.046 0.000 1.022 98 E CA 0.794 57.221 56.400 0.044 0.000 0.890 98 E CB 0.401 30.125 29.700 0.040 0.000 0.918 98 E HN 1.321 nan 8.360 nan 0.000 0.496 99 G N 0.787 109.617 108.800 0.049 0.000 2.308 99 G HA2 -0.414 3.546 3.960 0.000 0.000 0.221 99 G HA3 -0.414 3.546 3.960 0.000 0.000 0.221 99 G C 1.286 176.199 174.900 0.021 0.000 1.032 99 G CA 0.253 45.369 45.100 0.027 0.000 0.623 99 G HN 0.348 nan 8.290 nan 0.000 0.506 100 N N 0.545 119.263 118.700 0.030 0.000 2.395 100 N HA 0.093 4.833 4.740 0.000 0.000 0.175 100 N C 1.728 177.258 175.510 0.034 0.000 1.029 100 N CA 1.365 54.431 53.050 0.026 0.000 0.897 100 N CB -0.261 38.244 38.487 0.030 0.000 0.991 100 N HN 1.085 nan 8.380 nan 0.000 0.441 101 C N -0.733 118.600 119.300 0.056 0.000 2.639 101 C HA 0.217 4.677 4.460 0.000 0.000 0.360 101 C C 1.974 176.997 174.990 0.056 0.000 1.351 101 C CA -1.065 58.005 59.018 0.086 0.000 2.408 101 C CB -0.615 27.209 27.740 0.141 0.000 2.517 101 C HN 0.554 nan 8.230 nan 0.000 0.696 102 Y N 1.085 121.324 120.300 -0.102 0.000 2.114 102 Y HA -0.200 4.350 4.550 0.000 0.000 0.282 102 Y C 2.104 177.809 175.900 -0.324 0.000 1.165 102 Y CA 2.471 60.412 58.100 -0.265 0.000 1.148 102 Y CB -0.732 37.452 38.460 -0.461 0.000 0.972 102 Y HN 0.784 nan 8.280 nan 0.000 0.504 103 Y N -1.235 119.084 120.300 0.031 0.000 2.200 103 Y HA -0.220 4.330 4.550 0.000 0.000 0.290 103 Y C 2.871 178.720 175.900 -0.084 0.000 1.137 103 Y CA 1.413 59.479 58.100 -0.057 0.000 1.163 103 Y CB -1.153 37.340 38.460 0.055 0.000 0.988 103 Y HN 0.219 nan 8.280 nan 0.000 0.518 104 C N -0.187 119.160 119.300 0.078 0.000 2.429 104 C HA -0.157 4.303 4.460 0.000 0.000 0.277 104 C C 2.691 177.657 174.990 -0.040 0.000 1.262 104 C CA 0.812 59.858 59.018 0.047 0.000 1.733 104 C CB -1.003 26.772 27.740 0.058 0.000 2.010 104 C HN 0.489 nan 8.230 nan 0.000 0.483 105 R N 1.115 121.547 120.500 -0.113 0.000 2.120 105 R HA -0.085 4.255 4.340 0.000 0.000 0.234 105 R C 1.771 177.962 176.300 -0.182 0.000 1.123 105 R CA 1.591 57.606 56.100 -0.141 0.000 0.975 105 R CB -0.383 29.825 30.300 -0.152 0.000 0.866 105 R HN 0.741 nan 8.270 nan 0.000 0.446 106 I N -3.345 117.048 120.570 -0.295 0.000 3.875 106 I HA 0.359 4.529 4.170 0.000 0.000 0.329 106 I C 0.619 176.678 176.117 -0.097 0.000 1.295 106 I CA 0.437 61.588 61.300 -0.248 0.000 1.129 106 I CB 0.592 38.331 38.000 -0.435 0.000 1.008 106 I HN 0.163 nan 8.210 nan 0.000 0.413 107 G N 1.682 110.456 108.800 -0.042 0.000 2.132 107 G HA2 -0.206 3.754 3.960 0.000 0.000 0.228 107 G HA3 -0.206 3.754 3.960 0.000 0.000 0.228 107 G C -0.022 174.949 174.900 0.119 0.000 1.000 107 G CA -0.031 45.091 45.100 0.037 0.000 0.693 107 G HN 0.542 nan 8.290 nan 0.000 0.515 108 E N 0.152 120.440 120.200 0.147 0.000 3.351 108 E HA 0.200 4.550 4.350 0.000 0.000 0.220 108 E C 1.190 177.950 176.600 0.266 0.000 1.150 108 E CA -0.411 56.150 56.400 0.268 0.000 1.359 108 E CB 0.273 30.127 29.700 0.255 0.000 1.365 108 E HN 0.682 nan 8.360 nan 0.000 0.434 109 E N 0.558 120.935 120.200 0.295 0.000 2.171 109 E HA -0.221 4.129 4.350 0.000 0.000 0.197 109 E C 1.687 178.480 176.600 0.322 0.000 0.997 109 E CA 1.086 57.650 56.400 0.273 0.000 0.810 109 E CB -0.060 29.803 29.700 0.272 0.000 0.738 109 E HN 0.500 nan 8.360 nan 0.000 0.467 110 H N -0.092 119.111 119.070 0.222 0.000 2.521 110 H HA -0.055 4.501 4.556 0.000 0.000 0.286 110 H C 1.567 177.077 175.328 0.304 0.000 1.034 110 H CA 0.705 56.928 56.048 0.292 0.000 1.278 110 H CB -0.357 29.472 29.762 0.112 0.000 1.386 110 H HN 0.199 nan 8.280 nan 0.000 0.567 111 L N 0.961 121.993 121.223 -0.318 0.000 2.653 111 L HA 0.127 4.467 4.340 0.000 0.000 0.231 111 L C 0.768 177.518 176.870 -0.200 0.000 1.153 111 L CA -0.565 54.042 54.840 -0.389 0.000 0.933 111 L CB 0.067 41.709 42.059 -0.696 0.000 1.175 111 L HN 0.180 nan 8.230 nan 0.000 0.473 112 C N 1.205 120.528 119.300 0.039 0.000 2.502 112 C HA -0.117 4.343 4.460 0.000 0.000 0.404 112 C C 1.901 176.897 174.990 0.010 0.000 1.409 112 C CA -0.189 58.886 59.018 0.095 0.000 1.648 112 C CB 0.136 27.933 27.740 0.095 0.000 2.571 112 C HN 0.496 nan 8.230 nan 0.000 0.601 113 D N 1.899 122.349 120.400 0.084 0.000 2.218 113 D HA -0.036 4.604 4.640 0.000 0.000 0.204 113 D C 0.881 177.161 176.300 -0.033 0.000 0.976 113 D CA 1.365 55.385 54.000 0.033 0.000 0.853 113 D CB 0.051 40.905 40.800 0.090 0.000 0.939 113 D HN 0.637 nan 8.370 nan 0.000 0.481 114 S N 1.538 117.221 115.700 -0.029 0.000 2.128 114 S HA 0.220 4.690 4.470 0.000 0.000 0.157 114 S C -2.497 172.054 174.600 -0.082 0.000 1.650 114 S CA -1.076 57.093 58.200 -0.052 0.000 1.269 114 S CB 1.931 65.129 63.200 -0.004 0.000 1.227 114 S HN 0.092 nan 8.310 nan 0.000 0.405 115 P HA 0.153 nan 4.420 nan 0.000 0.267 115 P C -0.812 176.352 177.300 -0.227 0.000 1.200 115 P CA -0.240 62.682 63.100 -0.296 0.000 0.772 115 P CB 0.658 31.859 31.700 -0.832 0.000 0.855 116 R N 2.242 122.642 120.500 -0.167 0.000 2.363 116 R HA 0.276 4.616 4.340 0.000 0.000 0.297 116 R C -0.927 175.287 176.300 -0.142 0.000 1.208 116 R CA -0.335 55.530 56.100 -0.393 0.000 1.121 116 R CB 0.610 30.421 30.300 -0.817 0.000 1.124 116 R HN 0.492 nan 8.270 nan 0.000 0.561 117 W N 4.678 125.833 121.300 -0.240 0.000 2.283 117 W HA 0.304 4.964 4.660 0.000 0.000 0.317 117 W C 0.084 176.455 176.519 -0.247 0.000 1.042 117 W CA -1.329 55.851 57.345 -0.276 0.000 1.348 117 W CB 0.457 29.819 29.460 -0.163 0.000 1.216 117 W HN 0.319 nan 8.180 nan 0.000 0.404 118 L N 3.681 124.788 121.223 -0.194 0.000 2.540 118 L HA 0.156 4.496 4.340 0.000 0.000 0.276 118 L C 1.508 178.324 176.870 -0.090 0.000 1.212 118 L CA 1.261 56.021 54.840 -0.134 0.000 0.893 118 L CB -0.244 41.673 42.059 -0.237 0.000 1.138 118 L HN 0.893 nan 8.230 nan 0.000 0.491 119 G N 3.014 111.807 108.800 -0.013 0.000 2.212 119 G HA2 -0.272 3.688 3.960 0.000 0.000 0.266 119 G HA3 -0.272 3.688 3.960 0.000 0.000 0.266 119 G C 0.737 175.658 174.900 0.036 0.000 0.978 119 G CA 0.362 45.442 45.100 -0.033 0.000 0.632 119 G HN 0.529 nan 8.290 nan 0.000 0.537 120 I N 0.497 121.116 120.570 0.083 0.000 3.366 120 I HA 0.157 4.327 4.170 0.000 0.000 0.267 120 I C 1.698 177.864 176.117 0.081 0.000 1.149 120 I CA 1.740 63.104 61.300 0.106 0.000 1.436 120 I CB -0.660 37.428 38.000 0.148 0.000 1.379 120 I HN 0.410 nan 8.210 nan 0.000 0.460 121 N N -0.366 118.414 118.700 0.133 0.000 2.184 121 N HA 0.117 4.857 4.740 0.000 0.000 0.234 121 N C -0.474 175.082 175.510 0.076 0.000 1.282 121 N CA -0.095 53.001 53.050 0.076 0.000 0.877 121 N CB 0.507 39.012 38.487 0.029 0.000 1.184 121 N HN 0.045 nan 8.380 nan 0.000 0.510 122 F N 0.636 120.561 119.950 -0.042 0.000 2.603 122 F HA 0.376 4.903 4.527 0.000 0.000 0.317 122 F C -0.086 175.684 175.800 -0.049 0.000 1.066 122 F CA -1.075 56.898 58.000 -0.045 0.000 0.941 122 F CB 1.331 40.300 39.000 -0.051 0.000 1.291 122 F HN -0.250 nan 8.300 nan 0.000 0.472 123 D N 1.414 121.875 120.400 0.102 0.000 2.487 123 D HA 0.269 4.909 4.640 0.000 0.000 0.243 123 D C 0.444 176.772 176.300 0.046 0.000 1.154 123 D CA 0.604 54.633 54.000 0.048 0.000 0.876 123 D CB 1.042 41.867 40.800 0.042 0.000 1.161 123 D HN 0.698 nan 8.370 nan 0.000 0.478 124 G N 0.691 109.485 108.800 -0.011 0.000 2.849 124 G HA2 0.457 4.417 3.960 0.000 0.000 0.174 124 G HA3 0.457 4.417 3.960 0.000 0.000 0.174 124 G C 0.436 175.323 174.900 -0.022 0.000 1.370 124 G CA 0.093 45.164 45.100 -0.049 0.000 1.040 124 G HN 0.437 nan 8.290 nan 0.000 0.582 125 A N -1.536 121.270 122.820 -0.023 0.000 2.308 125 A HA 0.362 4.682 4.320 0.000 0.000 0.217 125 A C 0.218 177.916 177.584 0.190 0.000 1.216 125 A CA -0.193 51.878 52.037 0.056 0.000 0.864 125 A CB -0.132 18.885 19.000 0.028 0.000 0.902 125 A HN 0.387 nan 8.150 nan 0.000 0.499 126 Y N 1.111 121.391 120.300 -0.033 0.000 2.889 126 Y HA 0.508 5.058 4.550 0.000 0.000 0.367 126 Y C 0.784 176.671 175.900 -0.021 0.000 1.197 126 Y CA -0.421 57.661 58.100 -0.030 0.000 1.993 126 Y CB -1.267 37.182 38.460 -0.019 0.000 2.112 126 Y HN 0.412 nan 8.280 nan 0.000 0.413 127 A N -0.090 122.794 122.820 0.106 0.000 2.540 127 A HA 0.473 4.793 4.320 0.000 0.000 0.291 127 A C 0.661 178.226 177.584 -0.031 0.000 1.083 127 A CA -0.758 51.309 52.037 0.050 0.000 0.650 127 A CB 0.756 19.802 19.000 0.075 0.000 1.292 127 A HN 0.302 nan 8.150 nan 0.000 0.435 128 E N -0.955 119.201 120.200 -0.073 0.000 2.152 128 E HA 0.008 4.358 4.350 0.000 0.000 0.192 128 E C -0.729 175.517 176.600 -0.590 0.000 0.983 128 E CA 1.361 57.575 56.400 -0.309 0.000 0.818 128 E CB 0.004 29.525 29.700 -0.298 0.000 0.758 128 E HN 0.526 nan 8.360 nan 0.000 0.467 129 Y N -1.205 119.107 120.300 0.019 0.000 2.545 129 Y HA 0.506 5.056 4.550 0.000 0.000 0.348 129 Y C -0.548 175.363 175.900 0.018 0.000 1.002 129 Y CA -1.068 57.042 58.100 0.016 0.000 1.039 129 Y CB 2.055 40.523 38.460 0.013 0.000 1.271 129 Y HN -0.308 nan 8.280 nan 0.000 0.467 130 V N 4.138 124.152 119.914 0.168 0.000 2.808 130 V HA 0.532 4.652 4.120 0.000 0.000 0.308 130 V C -1.449 174.695 176.094 0.083 0.000 1.099 130 V CA -0.770 61.588 62.300 0.097 0.000 0.920 130 V CB 1.719 33.570 31.823 0.046 0.000 1.014 130 V HN 0.627 nan 8.190 nan 0.000 0.425 131 I N 6.508 127.119 120.570 0.068 0.000 2.342 131 I HA 0.338 4.508 4.170 0.000 0.000 0.291 131 I C -0.005 176.132 176.117 0.033 0.000 1.010 131 I CA -0.081 61.252 61.300 0.055 0.000 1.308 131 I CB 1.641 39.678 38.000 0.061 0.000 1.400 131 I HN 0.344 nan 8.210 nan 0.000 0.488 132 V N 10.061 129.989 119.914 0.024 0.000 2.350 132 V HA 0.181 4.302 4.120 0.000 0.000 0.276 132 V C -1.449 174.670 176.094 0.041 0.000 1.028 132 V CA -1.232 61.073 62.300 0.009 0.000 0.860 132 V CB 1.300 33.130 31.823 0.012 0.000 0.990 132 V HN 0.580 nan 8.190 nan 0.000 0.453 133 P HA -0.161 nan 4.420 nan 0.000 0.216 133 P C 0.337 177.730 177.300 0.155 0.000 1.154 133 P CA 1.615 64.754 63.100 0.065 0.000 0.865 133 P CB 0.122 31.805 31.700 -0.029 0.000 0.789 134 H N -2.759 116.388 119.070 0.129 0.000 2.954 134 H HA 0.089 4.645 4.556 0.000 0.000 0.361 134 H C 0.394 175.715 175.328 -0.013 0.000 1.122 134 H CA -0.790 55.291 56.048 0.055 0.000 1.217 134 H CB 0.905 30.653 29.762 -0.023 0.000 1.776 134 H HN -0.048 nan 8.280 nan 0.000 0.533 135 Y N 3.681 123.962 120.300 -0.032 0.000 2.384 135 Y HA -0.131 4.419 4.550 0.000 0.000 0.289 135 Y C 2.032 177.917 175.900 -0.024 0.000 1.152 135 Y CA 1.220 59.250 58.100 -0.117 0.000 1.258 135 Y CB -0.308 38.033 38.460 -0.198 0.000 0.979 135 Y HN 0.441 nan 8.280 nan 0.000 0.549 136 K N -0.439 119.852 120.400 -0.181 0.000 2.360 136 K HA -0.185 4.135 4.320 0.000 0.000 0.201 136 K C 0.526 176.933 176.600 -0.322 0.000 1.046 136 K CA 1.411 57.503 56.287 -0.325 0.000 0.945 136 K CB -0.724 31.366 32.500 -0.685 0.000 0.750 136 K HN 0.406 nan 8.250 nan 0.000 0.464 137 Y N 1.277 121.556 120.300 -0.036 0.000 2.490 137 Y HA 0.257 4.807 4.550 0.000 0.000 0.281 137 Y C 0.876 176.766 175.900 -0.017 0.000 1.174 137 Y CA -0.108 57.945 58.100 -0.078 0.000 1.295 137 Y CB -0.135 38.227 38.460 -0.163 0.000 1.062 137 Y HN 0.000 nan 8.280 nan 0.000 0.522 138 M N -1.116 118.571 119.600 0.144 0.000 2.471 138 M HA 0.292 4.772 4.480 0.000 0.000 0.309 138 M C -1.411 175.157 176.300 0.446 0.000 1.186 138 M CA -0.768 54.651 55.300 0.198 0.000 1.008 138 M CB 1.559 34.079 32.600 -0.133 0.000 1.551 138 M HN 0.008 nan 8.290 nan 0.000 0.477 139 Y N 0.982 121.488 120.300 0.344 0.000 2.331 139 Y HA 0.331 4.882 4.550 0.000 0.000 0.326 139 Y C -0.918 175.106 175.900 0.206 0.000 1.020 139 Y CA -0.939 57.315 58.100 0.256 0.000 1.136 139 Y CB 1.227 39.722 38.460 0.059 0.000 1.157 139 Y HN 0.497 nan 8.280 nan 0.000 0.444 140 K N 6.566 126.997 120.400 0.050 0.000 2.447 140 K HA 0.220 4.540 4.320 0.000 0.000 0.281 140 K C -0.834 175.847 176.600 0.135 0.000 1.031 140 K CA 0.115 56.459 56.287 0.095 0.000 1.019 140 K CB 0.488 32.981 32.500 -0.012 0.000 0.918 140 K HN 0.613 nan 8.250 nan 0.000 0.476 141 L N 3.641 124.967 121.223 0.171 0.000 2.305 141 L HA 0.250 4.590 4.340 0.000 0.000 0.281 141 L C 1.221 178.146 176.870 0.093 0.000 1.085 141 L CA -0.287 54.648 54.840 0.159 0.000 0.813 141 L CB 1.061 43.194 42.059 0.123 0.000 1.157 141 L HN 0.599 nan 8.230 nan 0.000 0.436 142 R N 0.787 121.338 120.500 0.085 0.000 2.342 142 R HA 0.146 4.486 4.340 0.000 0.000 0.204 142 R C 1.727 178.051 176.300 0.039 0.000 0.882 142 R CA 0.424 56.553 56.100 0.049 0.000 1.041 142 R CB 0.316 30.640 30.300 0.040 0.000 1.188 142 R HN 0.551 nan 8.270 nan 0.000 0.598 143 R N -0.638 119.887 120.500 0.043 0.000 2.215 143 R HA 0.276 4.616 4.340 0.000 0.000 0.190 143 R C -0.170 176.143 176.300 0.022 0.000 0.968 143 R CA 0.076 56.192 56.100 0.027 0.000 1.122 143 R CB 0.209 30.522 30.300 0.022 0.000 1.151 143 R HN 0.045 nan 8.270 nan 0.000 0.582 144 L N 3.595 124.833 121.223 0.025 0.000 2.452 144 L HA 0.108 4.448 4.340 0.000 0.000 0.267 144 L C -0.076 176.809 176.870 0.025 0.000 1.188 144 L CA -0.524 54.327 54.840 0.018 0.000 0.821 144 L CB 0.496 42.561 42.059 0.009 0.000 1.102 144 L HN 0.354 nan 8.230 nan 0.000 0.470 145 N N 1.124 119.835 118.700 0.018 0.000 2.478 145 N HA 0.415 5.155 4.740 0.000 0.000 0.275 145 N C 0.491 176.013 175.510 0.021 0.000 1.221 145 N CA -0.224 52.838 53.050 0.019 0.000 0.979 145 N CB 0.904 39.397 38.487 0.011 0.000 1.202 145 N HN 0.564 nan 8.380 nan 0.000 0.564 146 A N 0.036 122.869 122.820 0.021 0.000 1.917 146 A HA -0.136 4.184 4.320 0.000 0.000 0.219 146 A C 1.971 179.562 177.584 0.013 0.000 1.182 146 A CA 1.952 54.002 52.037 0.021 0.000 0.633 146 A CB -1.252 17.756 19.000 0.013 0.000 0.819 146 A HN 0.469 nan 8.150 nan 0.000 0.448 147 V N 0.049 119.965 119.914 0.004 0.000 2.343 147 V HA -0.276 3.844 4.120 0.000 0.000 0.247 147 V C 2.385 178.480 176.094 0.003 0.000 1.051 147 V CA 2.351 64.650 62.300 -0.002 0.000 1.036 147 V CB -0.853 30.966 31.823 -0.008 0.000 0.654 147 V HN 0.667 nan 8.190 nan 0.000 0.451 148 E N 0.221 120.424 120.200 0.004 0.000 2.107 148 E HA -0.103 4.247 4.350 0.000 0.000 0.191 148 E C 2.251 178.855 176.600 0.006 0.000 0.982 148 E CA 1.191 57.593 56.400 0.003 0.000 0.809 148 E CB -0.277 29.423 29.700 0.001 0.000 0.756 148 E HN 0.607 nan 8.360 nan 0.000 0.459 149 A N 1.303 124.131 122.820 0.013 0.000 1.975 149 A HA 0.121 4.441 4.320 0.000 0.000 0.215 149 A C 2.340 179.948 177.584 0.040 0.000 1.170 149 A CA 1.052 53.099 52.037 0.018 0.000 0.656 149 A CB -0.368 18.651 19.000 0.031 0.000 0.821 149 A HN 0.256 nan 8.150 nan 0.000 0.449 150 A N 0.862 123.703 122.820 0.036 0.000 1.873 150 A HA -0.090 4.230 4.320 0.000 0.000 0.218 150 A C 0.142 177.756 177.584 0.049 0.000 1.193 150 A CA 2.024 54.084 52.037 0.039 0.000 0.629 150 A CB -1.774 17.234 19.000 0.014 0.000 0.826 150 A HN 0.436 nan 8.150 nan 0.000 0.447 151 P HA -0.099 nan 4.420 nan 0.000 0.221 151 P C 1.110 178.463 177.300 0.087 0.000 1.145 151 P CA 0.550 63.685 63.100 0.058 0.000 0.795 151 P CB -0.028 31.696 31.700 0.039 0.000 0.775 152 L N -0.525 120.744 121.223 0.076 0.000 2.275 152 L HA -0.087 4.254 4.340 0.000 0.000 0.215 152 L C 2.170 179.145 176.870 0.174 0.000 1.119 152 L CA 2.080 56.969 54.840 0.081 0.000 0.790 152 L CB -2.154 39.911 42.059 0.011 0.000 0.919 152 L HN 0.127 nan 8.230 nan 0.000 0.443 153 T N -5.928 108.761 114.554 0.223 0.000 3.113 153 T HA -0.119 4.231 4.350 0.000 0.000 0.263 153 T C 1.698 176.617 174.700 0.365 0.000 1.143 153 T CA 0.952 63.238 62.100 0.310 0.000 1.090 153 T CB -0.487 68.476 68.868 0.159 0.000 0.922 153 T HN 0.386 nan 8.240 nan 0.000 0.521 154 C N -0.413 119.084 119.300 0.328 0.000 3.162 154 C HA 0.404 4.864 4.460 0.000 0.000 0.220 154 C C 2.795 177.916 174.990 0.217 0.000 2.475 154 C CA 0.637 59.901 59.018 0.411 0.000 1.361 154 C CB 0.109 28.148 27.740 0.498 0.000 1.251 154 C HN 0.456 nan 8.230 nan 0.000 0.734 155 S N 0.954 116.755 115.700 0.168 0.000 2.374 155 S HA -0.044 4.426 4.470 0.000 0.000 0.227 155 S C 1.745 176.396 174.600 0.085 0.000 1.037 155 S CA 1.937 60.197 58.200 0.101 0.000 1.024 155 S CB -0.801 62.447 63.200 0.080 0.000 0.861 155 S HN 0.853 nan 8.310 nan 0.000 0.456 156 G N 1.224 110.084 108.800 0.099 0.000 2.414 156 G HA2 -0.134 3.826 3.960 0.000 0.000 0.215 156 G HA3 -0.134 3.826 3.960 0.000 0.000 0.215 156 G C 1.386 176.347 174.900 0.103 0.000 1.188 156 G CA 0.659 45.809 45.100 0.082 0.000 0.783 156 G HN 0.492 nan 8.290 nan 0.000 0.537 157 I N 0.602 121.248 120.570 0.126 0.000 2.286 157 I HA -0.151 4.019 4.170 0.000 0.000 0.248 157 I C 2.782 178.938 176.117 0.065 0.000 1.115 157 I CA 1.632 62.998 61.300 0.109 0.000 1.392 157 I CB -0.100 38.008 38.000 0.180 0.000 1.065 157 I HN 0.138 nan 8.210 nan 0.000 0.418 158 T N 0.252 114.815 114.554 0.015 0.000 2.684 158 T HA -0.184 4.166 4.350 0.000 0.000 0.267 158 T C 1.724 176.434 174.700 0.015 0.000 1.036 158 T CA 2.245 64.323 62.100 -0.036 0.000 1.148 158 T CB -0.398 68.439 68.868 -0.052 0.000 0.863 158 T HN 0.420 nan 8.240 nan 0.000 0.436 159 T N 0.646 115.226 114.554 0.044 0.000 2.821 159 T HA -0.045 4.305 4.350 0.000 0.000 0.267 159 T C 1.591 176.322 174.700 0.052 0.000 1.046 159 T CA 0.857 62.977 62.100 0.033 0.000 1.139 159 T CB -0.426 68.461 68.868 0.030 0.000 0.871 159 T HN 0.455 nan 8.240 nan 0.000 0.454 160 Y N 2.012 122.295 120.300 -0.029 0.000 2.145 160 Y HA -0.115 4.435 4.550 0.000 0.000 0.286 160 Y C 2.674 178.555 175.900 -0.032 0.000 1.145 160 Y CA 1.453 59.535 58.100 -0.030 0.000 1.148 160 Y CB -0.121 38.323 38.460 -0.026 0.000 0.981 160 Y HN -0.047 nan 8.280 nan 0.000 0.507 161 R N -0.023 120.584 120.500 0.178 0.000 2.092 161 R HA -0.103 4.237 4.340 0.000 0.000 0.231 161 R C 2.314 178.607 176.300 -0.012 0.000 1.119 161 R CA 1.026 57.173 56.100 0.079 0.000 0.970 161 R CB -0.442 29.881 30.300 0.039 0.000 0.864 161 R HN 0.438 nan 8.270 nan 0.000 0.440 162 A N 0.221 123.030 122.820 -0.018 0.000 1.933 162 A HA -0.095 4.225 4.320 0.000 0.000 0.218 162 A C 2.194 179.733 177.584 -0.075 0.000 1.175 162 A CA 1.405 53.420 52.037 -0.036 0.000 0.628 162 A CB -0.433 18.548 19.000 -0.031 0.000 0.814 162 A HN 0.212 nan 8.150 nan 0.000 0.444 163 V N -0.159 119.688 119.914 -0.112 0.000 2.358 163 V HA -0.225 3.895 4.120 0.000 0.000 0.246 163 V C 2.642 178.637 176.094 -0.164 0.000 1.047 163 V CA 2.063 64.273 62.300 -0.150 0.000 1.035 163 V CB -0.741 30.963 31.823 -0.199 0.000 0.658 163 V HN 0.508 nan 8.190 nan 0.000 0.452 164 R N 0.038 120.416 120.500 -0.203 0.000 2.096 164 R HA -0.151 4.189 4.340 0.000 0.000 0.235 164 R C 2.316 178.571 176.300 -0.075 0.000 1.127 164 R CA 1.361 57.368 56.100 -0.155 0.000 0.968 164 R CB -0.218 30.002 30.300 -0.133 0.000 0.861 164 R HN 0.487 nan 8.270 nan 0.000 0.440 165 K N -0.326 120.043 120.400 -0.051 0.000 2.365 165 K HA -0.008 4.312 4.320 0.000 0.000 0.199 165 K C 1.744 178.320 176.600 -0.041 0.000 1.045 165 K CA 0.796 57.069 56.287 -0.024 0.000 0.962 165 K CB 0.128 32.627 32.500 -0.001 0.000 0.759 165 K HN 0.125 nan 8.250 nan 0.000 0.469 166 A N 0.898 123.679 122.820 -0.066 0.000 2.119 166 A HA -0.037 4.283 4.320 0.000 0.000 0.217 166 A C 0.660 178.206 177.584 -0.063 0.000 1.153 166 A CA 0.513 52.505 52.037 -0.074 0.000 0.692 166 A CB -0.134 18.811 19.000 -0.092 0.000 0.799 166 A HN 0.174 nan 8.150 nan 0.000 0.458 167 S N -1.208 114.459 115.700 -0.056 0.000 3.608 167 S HA -0.135 4.335 4.470 0.000 0.000 0.382 167 S C 0.021 174.594 174.600 -0.045 0.000 0.945 167 S CA 0.673 58.847 58.200 -0.044 0.000 1.256 167 S CB -2.017 61.164 63.200 -0.031 0.000 0.913 167 S HN 0.522 nan 8.310 nan 0.000 0.518 168 L N 1.365 122.556 121.223 -0.055 0.000 2.421 168 L HA 0.728 5.068 4.340 0.000 0.000 0.263 168 L C 0.552 177.399 176.870 -0.039 0.000 1.122 168 L CA -0.553 54.257 54.840 -0.049 0.000 0.804 168 L CB 0.875 42.899 42.059 -0.059 0.000 1.150 168 L HN 0.571 nan 8.230 nan 0.000 0.457 169 D N -0.913 119.469 120.400 -0.031 0.000 2.665 169 D HA 0.295 4.935 4.640 0.000 0.000 0.287 169 D C -2.569 173.721 176.300 -0.017 0.000 1.266 169 D CA -1.325 52.661 54.000 -0.023 0.000 0.830 169 D CB 1.139 41.928 40.800 -0.018 0.000 1.356 169 D HN 0.026 nan 8.370 nan 0.000 0.437 170 P HA -0.032 nan 4.420 nan 0.000 0.225 170 P C 1.010 178.308 177.300 -0.003 0.000 1.148 170 P CA 1.577 64.673 63.100 -0.007 0.000 0.779 170 P CB -0.043 31.655 31.700 -0.005 0.000 0.780 171 T N -4.841 109.710 114.554 -0.006 0.000 3.129 171 T HA 0.146 4.496 4.350 0.000 0.000 0.251 171 T C 0.643 175.339 174.700 -0.007 0.000 1.117 171 T CA 0.191 62.289 62.100 -0.004 0.000 1.034 171 T CB -0.269 68.595 68.868 -0.006 0.000 0.968 171 T HN 0.040 nan 8.240 nan 0.000 0.526 172 K N 0.431 120.825 120.400 -0.010 0.000 2.306 172 K HA 0.637 4.957 4.320 0.000 0.000 0.236 172 K C -0.944 175.648 176.600 -0.013 0.000 1.013 172 K CA -0.837 55.441 56.287 -0.015 0.000 0.857 172 K CB 2.011 34.496 32.500 -0.024 0.000 1.214 172 K HN -0.070 nan 8.250 nan 0.000 0.449 173 T N 1.502 116.045 114.554 -0.019 0.000 2.848 173 T HA 0.372 4.722 4.350 0.000 0.000 0.285 173 T C -1.394 173.287 174.700 -0.032 0.000 0.995 173 T CA -0.680 61.411 62.100 -0.016 0.000 0.970 173 T CB 1.048 69.902 68.868 -0.023 0.000 0.976 173 T HN 0.293 nan 8.240 nan 0.000 0.441 174 L N 3.989 125.194 121.223 -0.031 0.000 2.317 174 L HA 0.801 5.141 4.340 0.000 0.000 0.281 174 L C -1.231 175.604 176.870 -0.058 0.000 1.024 174 L CA -0.873 53.934 54.840 -0.055 0.000 0.810 174 L CB 1.195 43.218 42.059 -0.060 0.000 1.240 174 L HN 0.578 nan 8.230 nan 0.000 0.427 175 L N 5.856 127.025 121.223 -0.090 0.000 2.296 175 L HA 0.629 4.969 4.340 0.000 0.000 0.286 175 L C -1.118 175.656 176.870 -0.160 0.000 1.023 175 L CA -0.186 54.587 54.840 -0.111 0.000 0.812 175 L CB 1.666 43.655 42.059 -0.116 0.000 1.223 175 L HN 0.439 nan 8.230 nan 0.000 0.421 176 V N 6.209 126.035 119.914 -0.146 0.000 2.347 176 V HA 0.383 4.503 4.120 0.000 0.000 0.280 176 V C -0.070 175.904 176.094 -0.200 0.000 1.021 176 V CA -0.685 61.522 62.300 -0.156 0.000 0.847 176 V CB 1.552 33.314 31.823 -0.102 0.000 0.990 176 V HN 0.564 nan 8.190 nan 0.000 0.444 177 V N 4.089 123.855 119.914 -0.248 0.000 2.583 177 V HA 0.576 4.696 4.120 0.000 0.000 0.287 177 V C 1.238 177.244 176.094 -0.146 0.000 1.051 177 V CA 0.654 62.777 62.300 -0.296 0.000 1.010 177 V CB 0.863 32.497 31.823 -0.316 0.000 0.988 177 V HN 1.220 nan 8.190 nan 0.000 0.478 178 G N 3.893 112.629 108.800 -0.107 0.000 2.246 178 G HA2 -0.165 3.795 3.960 0.000 0.000 0.273 178 G HA3 -0.165 3.795 3.960 0.000 0.000 0.273 178 G C 0.828 175.698 174.900 -0.050 0.000 1.055 178 G CA 0.447 45.516 45.100 -0.052 0.000 0.851 178 G HN 1.438 nan 8.290 nan 0.000 0.500 179 A N -0.662 122.123 122.820 -0.059 0.000 2.172 179 A HA 0.395 4.715 4.320 0.000 0.000 0.216 179 A C 2.410 179.976 177.584 -0.030 0.000 1.154 179 A CA 2.097 54.105 52.037 -0.049 0.000 0.701 179 A CB -0.134 18.835 19.000 -0.051 0.000 0.789 179 A HN 1.609 nan 8.150 nan 0.000 0.465 180 G N -0.936 107.851 108.800 -0.022 0.000 2.986 180 G HA2 0.399 4.359 3.960 0.000 0.000 0.213 180 G HA3 0.399 4.359 3.960 0.000 0.000 0.213 180 G C 0.760 175.655 174.900 -0.009 0.000 1.156 180 G CA 0.582 45.675 45.100 -0.012 0.000 0.763 180 G HN 0.684 nan 8.290 nan 0.000 0.547 181 G N -0.493 108.301 108.800 -0.011 0.000 2.563 181 G HA2 0.411 4.371 3.960 0.000 0.000 0.283 181 G HA3 0.411 4.371 3.960 0.000 0.000 0.283 181 G C 1.273 176.168 174.900 -0.008 0.000 1.309 181 G CA 0.164 45.260 45.100 -0.007 0.000 1.022 181 G HN 0.176 nan 8.290 nan 0.000 0.501 182 G N -0.775 108.023 108.800 -0.004 0.000 2.446 182 G HA2 -0.147 3.813 3.960 0.000 0.000 0.217 182 G HA3 -0.147 3.813 3.960 0.000 0.000 0.217 182 G C 1.653 176.552 174.900 -0.002 0.000 1.168 182 G CA 0.899 45.998 45.100 -0.001 0.000 0.771 182 G HN 0.334 nan 8.290 nan 0.000 0.551 183 L N 1.389 122.609 121.223 -0.005 0.000 2.072 183 L HA 0.175 4.515 4.340 0.000 0.000 0.205 183 L C 3.076 179.936 176.870 -0.016 0.000 1.079 183 L CA 1.619 56.456 54.840 -0.006 0.000 0.752 183 L CB -1.099 40.954 42.059 -0.010 0.000 0.906 183 L HN 0.248 nan 8.230 nan 0.000 0.436 184 G N -1.258 107.528 108.800 -0.023 0.000 2.418 184 G HA2 -0.288 3.672 3.960 0.000 0.000 0.217 184 G HA3 -0.288 3.672 3.960 0.000 0.000 0.217 184 G C 1.615 176.498 174.900 -0.029 0.000 1.158 184 G CA 1.430 46.510 45.100 -0.034 0.000 0.771 184 G HN 0.463 nan 8.290 nan 0.000 0.545 185 T N -1.362 113.180 114.554 -0.020 0.000 2.867 185 T HA -0.063 4.287 4.350 0.000 0.000 0.268 185 T C 2.302 176.993 174.700 -0.014 0.000 1.057 185 T CA 1.593 63.682 62.100 -0.017 0.000 1.136 185 T CB -0.202 68.659 68.868 -0.012 0.000 0.874 185 T HN 0.135 nan 8.240 nan 0.000 0.466 186 M N 2.471 122.066 119.600 -0.009 0.000 2.117 186 M HA 0.266 4.746 4.480 0.000 0.000 0.262 186 M C 2.443 178.738 176.300 -0.008 0.000 1.065 186 M CA 1.464 56.763 55.300 -0.002 0.000 1.114 186 M CB -1.005 31.600 32.600 0.009 0.000 1.361 186 M HN 0.344 nan 8.290 nan 0.000 0.408 187 A N -0.938 121.870 122.820 -0.019 0.000 1.902 187 A HA -0.078 4.242 4.320 0.000 0.000 0.217 187 A C 2.172 179.731 177.584 -0.042 0.000 1.181 187 A CA 1.915 53.931 52.037 -0.035 0.000 0.623 187 A CB -1.232 17.740 19.000 -0.048 0.000 0.818 187 A HN 0.385 nan 8.150 nan 0.000 0.443 188 V N -0.058 119.834 119.914 -0.037 0.000 2.295 188 V HA -0.323 3.798 4.120 0.000 0.000 0.246 188 V C 2.659 178.735 176.094 -0.030 0.000 1.049 188 V CA 2.273 64.552 62.300 -0.036 0.000 1.024 188 V CB -0.913 30.892 31.823 -0.031 0.000 0.648 188 V HN 0.631 nan 8.190 nan 0.000 0.447 189 Q N -0.662 119.124 119.800 -0.023 0.000 2.084 189 Q HA -0.178 4.162 4.340 0.000 0.000 0.202 189 Q C 2.267 178.256 176.000 -0.018 0.000 0.978 189 Q CA 1.851 57.643 55.803 -0.018 0.000 0.844 189 Q CB -0.222 28.509 28.738 -0.010 0.000 0.898 189 Q HN 0.600 nan 8.270 nan 0.000 0.426 190 I N 0.313 120.871 120.570 -0.020 0.000 2.202 190 I HA -0.249 3.921 4.170 0.000 0.000 0.242 190 I C 2.426 178.507 176.117 -0.060 0.000 1.091 190 I CA 0.892 62.176 61.300 -0.027 0.000 1.368 190 I CB -0.396 37.588 38.000 -0.027 0.000 1.058 190 I HN 0.142 nan 8.210 nan 0.000 0.410 191 A N 0.768 123.549 122.820 -0.065 0.000 1.908 191 A HA -0.284 4.036 4.320 0.000 0.000 0.218 191 A C 2.342 179.896 177.584 -0.051 0.000 1.181 191 A CA 2.132 54.127 52.037 -0.071 0.000 0.627 191 A CB -0.538 18.423 19.000 -0.065 0.000 0.818 191 A HN 0.374 nan 8.150 nan 0.000 0.445 192 K N -0.490 119.887 120.400 -0.038 0.000 2.155 192 K HA 0.071 4.391 4.320 0.000 0.000 0.203 192 K C 1.890 178.474 176.600 -0.026 0.000 1.052 192 K CA 1.108 57.377 56.287 -0.030 0.000 0.948 192 K CB -0.254 32.230 32.500 -0.026 0.000 0.728 192 K HN 0.353 nan 8.250 nan 0.000 0.448 193 A N 0.303 123.108 122.820 -0.025 0.000 2.021 193 A HA 0.004 4.324 4.320 0.000 0.000 0.216 193 A C 1.838 179.410 177.584 -0.019 0.000 1.163 193 A CA 1.158 53.185 52.037 -0.016 0.000 0.676 193 A CB -0.018 18.980 19.000 -0.004 0.000 0.818 193 A HN 0.269 nan 8.150 nan 0.000 0.453 194 V N -3.019 116.871 119.914 -0.040 0.000 3.556 194 V HA 0.209 4.329 4.120 0.000 0.000 0.287 194 V C 1.304 177.365 176.094 -0.055 0.000 1.422 194 V CA 1.319 63.589 62.300 -0.050 0.000 1.038 194 V CB 0.014 31.780 31.823 -0.096 0.000 0.850 194 V HN 0.574 nan 8.190 nan 0.000 0.437 195 S N -0.914 114.755 115.700 -0.051 0.000 2.619 195 S HA 0.457 4.927 4.470 0.000 0.000 0.238 195 S C 1.859 176.440 174.600 -0.031 0.000 1.068 195 S CA 1.071 59.242 58.200 -0.047 0.000 0.926 195 S CB 0.681 63.846 63.200 -0.059 0.000 0.864 195 S HN 1.806 nan 8.310 nan 0.000 0.493 196 G N 1.712 110.497 108.800 -0.025 0.000 2.184 196 G HA2 -0.152 3.808 3.960 0.000 0.000 0.264 196 G HA3 -0.152 3.808 3.960 0.000 0.000 0.264 196 G C 0.400 175.293 174.900 -0.012 0.000 0.975 196 G CA 0.208 45.298 45.100 -0.016 0.000 0.642 196 G HN 1.398 nan 8.290 nan 0.000 0.536 197 A N 0.039 122.849 122.820 -0.017 0.000 2.386 197 A HA 0.651 4.971 4.320 0.000 0.000 0.248 197 A C 0.860 178.447 177.584 0.005 0.000 1.082 197 A CA 1.076 53.106 52.037 -0.010 0.000 0.789 197 A CB 0.302 19.288 19.000 -0.024 0.000 1.025 197 A HN 0.749 nan 8.150 nan 0.000 0.490 198 T N 1.634 116.203 114.554 0.025 0.000 2.901 198 T HA 0.430 4.780 4.350 0.000 0.000 0.301 198 T C -0.037 174.701 174.700 0.063 0.000 1.012 198 T CA 0.691 62.832 62.100 0.067 0.000 1.135 198 T CB -0.119 68.817 68.868 0.113 0.000 0.936 198 T HN 0.370 nan 8.240 nan 0.000 0.539 199 I N 3.713 124.333 120.570 0.084 0.000 2.436 199 I HA 0.446 4.616 4.170 0.000 0.000 0.289 199 I C -0.331 175.857 176.117 0.117 0.000 1.010 199 I CA -0.679 60.654 61.300 0.056 0.000 1.098 199 I CB 1.596 39.602 38.000 0.010 0.000 1.266 199 I HN 0.438 nan 8.210 nan 0.000 0.434 200 I N 5.050 125.668 120.570 0.080 0.000 2.354 200 I HA 0.486 4.656 4.170 0.000 0.000 0.292 200 I C 0.542 176.668 176.117 0.015 0.000 0.989 200 I CA -0.403 60.952 61.300 0.092 0.000 1.188 200 I CB 1.718 39.740 38.000 0.036 0.000 1.342 200 I HN 0.635 nan 8.210 nan 0.000 0.457 201 G N 5.199 114.011 108.800 0.021 0.000 2.372 201 G HA2 0.550 4.510 3.960 0.000 0.000 0.323 201 G HA3 0.550 4.510 3.960 0.000 0.000 0.323 201 G C -1.301 173.583 174.900 -0.026 0.000 1.152 201 G CA -0.430 44.656 45.100 -0.023 0.000 0.906 201 G HN 0.395 nan 8.290 nan 0.000 0.460 202 V N 2.143 122.013 119.914 -0.074 0.000 2.604 202 V HA 0.774 4.895 4.120 0.000 0.000 0.305 202 V C -1.272 174.795 176.094 -0.046 0.000 1.043 202 V CA -0.652 61.617 62.300 -0.053 0.000 0.888 202 V CB 1.977 33.746 31.823 -0.090 0.000 0.995 202 V HN 0.824 nan 8.190 nan 0.000 0.429 203 D N 2.090 122.491 120.400 0.002 0.000 2.825 203 D HA 0.384 5.024 4.640 0.000 0.000 0.327 203 D C -0.114 176.206 176.300 0.034 0.000 1.277 203 D CA 0.395 54.401 54.000 0.010 0.000 0.950 203 D CB 2.477 43.277 40.800 -0.001 0.000 1.438 203 D HN 0.577 nan 8.370 nan 0.000 0.526 204 V N -1.476 118.455 119.914 0.029 0.000 3.346 204 V HA 0.559 4.679 4.120 0.000 0.000 0.309 204 V C 0.256 176.363 176.094 0.022 0.000 1.457 204 V CA -0.091 62.228 62.300 0.033 0.000 1.069 204 V CB 0.119 31.963 31.823 0.034 0.000 0.944 204 V HN 0.261 nan 8.190 nan 0.000 0.449 205 R N -0.525 119.985 120.500 0.017 0.000 2.725 205 R HA 0.670 5.010 4.340 0.000 0.000 0.277 205 R C 1.206 177.513 176.300 0.012 0.000 0.987 205 R CA 0.086 56.194 56.100 0.013 0.000 0.901 205 R CB 1.780 32.086 30.300 0.011 0.000 1.207 205 R HN 0.113 nan 8.270 nan 0.000 0.463 206 E N 1.829 122.036 120.200 0.011 0.000 2.097 206 E HA -0.259 4.091 4.350 0.000 0.000 0.196 206 E C 1.317 177.922 176.600 0.007 0.000 1.000 206 E CA 2.192 58.598 56.400 0.010 0.000 0.804 206 E CB -0.483 nan 29.700 nan 0.000 0.740 206 E HN 0.719 nan 8.360 nan 0.000 0.454 207 E N 0.189 120.392 120.200 0.007 0.000 2.110 207 E HA 0.091 4.441 4.350 0.000 0.000 0.193 207 E C 2.260 178.862 176.600 0.004 0.000 0.988 207 E CA 1.243 57.646 56.400 0.005 0.000 0.804 207 E CB -0.318 29.385 29.700 0.006 0.000 0.745 207 E HN 0.577 nan 8.360 nan 0.000 0.458 208 A N 0.579 123.402 122.820 0.005 0.000 1.897 208 A HA -0.083 4.237 4.320 0.000 0.000 0.215 208 A C 2.451 180.035 177.584 0.001 0.000 1.181 208 A CA 0.995 53.034 52.037 0.003 0.000 0.620 208 A CB -0.641 18.362 19.000 0.005 0.000 0.821 208 A HN 0.150 nan 8.150 nan 0.000 0.443 209 V N 0.113 120.029 119.914 0.004 0.000 2.392 209 V HA -0.243 3.877 4.120 0.000 0.000 0.249 209 V C 2.586 178.680 176.094 0.000 0.000 1.059 209 V CA 2.449 64.752 62.300 0.005 0.000 1.051 209 V CB -0.621 31.208 31.823 0.011 0.000 0.658 209 V HN 0.655 nan 8.190 nan 0.000 0.455 210 E N 0.288 120.488 120.200 -0.000 0.000 2.107 210 E HA -0.095 4.255 4.350 0.000 0.000 0.191 210 E C 2.176 178.772 176.600 -0.007 0.000 0.982 210 E CA 1.320 57.717 56.400 -0.004 0.000 0.809 210 E CB -0.428 29.270 29.700 -0.002 0.000 0.756 210 E HN 0.533 nan 8.360 nan 0.000 0.459 211 A N 0.586 123.403 122.820 -0.006 0.000 1.930 211 A HA -0.042 4.278 4.320 0.000 0.000 0.217 211 A C 2.383 179.960 177.584 -0.011 0.000 1.175 211 A CA 1.829 53.862 52.037 -0.008 0.000 0.627 211 A CB -0.850 18.147 19.000 -0.006 0.000 0.815 211 A HN 0.336 nan 8.150 nan 0.000 0.443 212 A N -0.194 122.619 122.820 -0.011 0.000 1.902 212 A HA -0.162 4.158 4.320 0.000 0.000 0.217 212 A C 2.106 179.680 177.584 -0.018 0.000 1.181 212 A CA 1.914 53.942 52.037 -0.015 0.000 0.623 212 A CB -0.410 18.582 19.000 -0.013 0.000 0.818 212 A HN 0.527 nan 8.150 nan 0.000 0.443 213 K N -0.835 119.555 120.400 -0.017 0.000 2.057 213 K HA -0.095 4.225 4.320 0.000 0.000 0.207 213 K C 2.270 178.854 176.600 -0.026 0.000 1.049 213 K CA 1.555 57.827 56.287 -0.025 0.000 0.931 213 K CB -0.141 32.345 32.500 -0.023 0.000 0.714 213 K HN 0.327 nan 8.250 nan 0.000 0.440 214 R N -0.011 120.477 120.500 -0.020 0.000 2.148 214 R HA -0.018 4.322 4.340 0.000 0.000 0.227 214 R C 1.995 178.283 176.300 -0.019 0.000 1.103 214 R CA 1.067 57.156 56.100 -0.019 0.000 0.983 214 R CB -0.071 30.221 30.300 -0.014 0.000 0.874 214 R HN 0.180 nan 8.270 nan 0.000 0.451 215 A N -0.784 122.025 122.820 -0.019 0.000 2.119 215 A HA 0.159 4.479 4.320 0.000 0.000 0.217 215 A C 1.451 179.021 177.584 -0.023 0.000 1.153 215 A CA 1.205 53.231 52.037 -0.019 0.000 0.692 215 A CB -0.015 18.974 19.000 -0.019 0.000 0.799 215 A HN 0.436 nan 8.150 nan 0.000 0.458 216 G N -2.692 106.091 108.800 -0.028 0.000 2.198 216 G HA2 0.239 4.199 3.960 0.000 0.000 0.156 216 G HA3 0.239 4.199 3.960 0.000 0.000 0.156 216 G C 0.304 175.181 174.900 -0.039 0.000 1.012 216 G CA 0.003 45.083 45.100 -0.034 0.000 0.692 216 G HN 1.399 nan 8.290 nan 0.000 0.492 217 A N 0.548 123.347 122.820 -0.035 0.000 2.520 217 A HA 0.494 4.814 4.320 0.000 0.000 0.245 217 A C 1.226 178.769 177.584 -0.068 0.000 1.072 217 A CA 0.928 52.947 52.037 -0.030 0.000 0.761 217 A CB 0.261 19.253 19.000 -0.013 0.000 1.004 217 A HN 0.245 nan 8.150 nan 0.000 0.499 218 D N 0.331 120.682 120.400 -0.081 0.000 2.194 218 D HA 0.002 4.642 4.640 0.000 0.000 0.204 218 D C -0.475 175.516 176.300 -0.516 0.000 0.964 218 D CA 1.725 55.563 54.000 -0.270 0.000 0.846 218 D CB 0.090 40.743 40.800 -0.245 0.000 0.962 218 D HN 0.665 nan 8.370 nan 0.000 0.490 219 Y N -0.379 119.912 120.300 -0.016 0.000 2.477 219 Y HA 0.360 4.910 4.550 0.000 0.000 0.347 219 Y C -0.011 175.880 175.900 -0.015 0.000 0.981 219 Y CA -1.241 56.852 58.100 -0.012 0.000 1.033 219 Y CB 2.212 40.667 38.460 -0.009 0.000 1.245 219 Y HN -0.320 nan 8.280 nan 0.000 0.455 220 V N 0.861 120.852 119.914 0.128 0.000 2.962 220 V HA 0.786 4.906 4.120 0.000 0.000 0.313 220 V C -0.974 175.166 176.094 0.075 0.000 1.099 220 V CA -1.055 61.290 62.300 0.074 0.000 0.971 220 V CB 2.256 34.098 31.823 0.031 0.000 1.028 220 V HN 0.698 nan 8.190 nan 0.000 0.430 221 I N 2.742 123.345 120.570 0.055 0.000 2.533 221 I HA 0.461 4.631 4.170 0.000 0.000 0.290 221 I C -0.918 175.227 176.117 0.048 0.000 1.056 221 I CA -0.522 60.812 61.300 0.056 0.000 1.057 221 I CB 2.252 40.291 38.000 0.064 0.000 1.240 221 I HN 0.758 nan 8.210 nan 0.000 0.423 222 N N 4.560 123.288 118.700 0.046 0.000 2.485 222 N HA 0.340 5.080 4.740 0.000 0.000 0.243 222 N C 0.494 176.036 175.510 0.054 0.000 0.987 222 N CA -0.220 52.856 53.050 0.043 0.000 0.940 222 N CB 1.862 40.368 38.487 0.032 0.000 1.122 222 N HN 0.783 nan 8.380 nan 0.000 0.509 223 A N 2.622 125.486 122.820 0.073 0.000 2.172 223 A HA -0.033 4.287 4.320 0.000 0.000 0.216 223 A C 1.784 179.404 177.584 0.059 0.000 1.154 223 A CA 0.910 53.000 52.037 0.089 0.000 0.701 223 A CB -0.098 18.993 19.000 0.151 0.000 0.789 223 A HN 0.632 nan 8.150 nan 0.000 0.465 224 S N -0.807 114.920 115.700 0.045 0.000 2.496 224 S HA 0.081 4.551 4.470 0.000 0.000 0.224 224 S C 1.526 176.142 174.600 0.025 0.000 0.996 224 S CA 0.823 59.041 58.200 0.031 0.000 0.927 224 S CB -0.010 63.204 63.200 0.024 0.000 0.774 224 S HN 0.514 nan 8.310 nan 0.000 0.524 225 M N 0.305 119.922 119.600 0.029 0.000 2.304 225 M HA 0.340 4.820 4.480 0.000 0.000 0.281 225 M C -0.056 176.259 176.300 0.026 0.000 1.014 225 M CA 0.542 55.857 55.300 0.024 0.000 1.054 225 M CB 0.101 32.715 32.600 0.023 0.000 1.551 225 M HN 0.192 nan 8.290 nan 0.000 0.548 226 Q N -0.255 119.565 119.800 0.033 0.000 2.495 226 Q HA 0.275 4.615 4.340 0.000 0.000 0.287 226 Q C -0.997 175.026 176.000 0.038 0.000 1.078 226 Q CA -0.819 55.005 55.803 0.034 0.000 0.793 226 Q CB 2.084 30.846 28.738 0.040 0.000 1.459 226 Q HN -0.112 nan 8.270 nan 0.000 0.422 227 D N 2.116 122.536 120.400 0.033 0.000 2.393 227 D HA 0.118 4.758 4.640 0.000 0.000 0.232 227 D C -1.601 174.729 176.300 0.050 0.000 1.192 227 D CA -2.127 51.892 54.000 0.032 0.000 0.882 227 D CB 1.099 41.911 40.800 0.020 0.000 1.038 227 D HN 0.205 nan 8.370 nan 0.000 0.499 228 P HA -0.160 nan 4.420 nan 0.000 0.216 228 P C 1.815 179.184 177.300 0.115 0.000 1.150 228 P CA 0.755 63.932 63.100 0.128 0.000 0.837 228 P CB 0.498 32.346 31.700 0.248 0.000 0.786 229 L N -0.602 120.671 121.223 0.084 0.000 2.093 229 L HA -0.112 4.228 4.340 0.000 0.000 0.208 229 L C 2.856 179.753 176.870 0.045 0.000 1.085 229 L CA 1.543 56.425 54.840 0.070 0.000 0.755 229 L CB -1.179 40.901 42.059 0.036 0.000 0.904 229 L HN -0.048 nan 8.230 nan 0.000 0.435 230 A N -0.423 122.416 122.820 0.032 0.000 1.930 230 A HA -0.158 4.162 4.320 0.000 0.000 0.217 230 A C 2.210 179.803 177.584 0.014 0.000 1.175 230 A CA 1.233 53.281 52.037 0.019 0.000 0.627 230 A CB -0.267 18.742 19.000 0.015 0.000 0.815 230 A HN 0.317 nan 8.150 nan 0.000 0.443 231 E N 0.014 120.227 120.200 0.022 0.000 2.106 231 E HA -0.129 4.221 4.350 0.000 0.000 0.192 231 E C 1.942 178.531 176.600 -0.018 0.000 0.984 231 E CA 0.970 57.375 56.400 0.008 0.000 0.806 231 E CB -0.399 29.316 29.700 0.026 0.000 0.750 231 E HN 0.728 nan 8.360 nan 0.000 0.458 232 I N 0.961 121.533 120.570 0.002 0.000 2.226 232 I HA -0.257 3.913 4.170 0.000 0.000 0.245 232 I C 2.446 178.539 176.117 -0.039 0.000 1.100 232 I CA 0.903 62.190 61.300 -0.021 0.000 1.374 232 I CB -0.118 37.900 38.000 0.031 0.000 1.057 232 I HN -0.043 nan 8.210 nan 0.000 0.413 233 R N 0.349 120.841 120.500 -0.013 0.000 2.096 233 R HA -0.134 4.206 4.340 0.000 0.000 0.235 233 R C 2.252 178.531 176.300 -0.036 0.000 1.127 233 R CA 1.125 57.215 56.100 -0.017 0.000 0.968 233 R CB -0.819 29.481 30.300 -0.000 0.000 0.861 233 R HN 0.407 nan 8.270 nan 0.000 0.440 234 R N 0.682 121.158 120.500 -0.039 0.000 2.066 234 R HA -0.024 4.316 4.340 0.000 0.000 0.232 234 R C 2.363 178.609 176.300 -0.090 0.000 1.131 234 R CA 1.244 57.316 56.100 -0.047 0.000 0.955 234 R CB -0.269 30.011 30.300 -0.032 0.000 0.851 234 R HN 0.130 nan 8.270 nan 0.000 0.432 235 I N 0.637 121.115 120.570 -0.153 0.000 2.208 235 I HA -0.243 3.927 4.170 0.000 0.000 0.245 235 I C 1.851 177.827 176.117 -0.235 0.000 1.097 235 I CA 1.899 63.017 61.300 -0.303 0.000 1.363 235 I CB -0.317 37.369 38.000 -0.524 0.000 1.051 235 I HN 0.358 nan 8.210 nan 0.000 0.413 236 T N -2.423 112.039 114.554 -0.153 0.000 3.206 236 T HA 0.160 4.510 4.350 0.000 0.000 0.253 236 T C 0.416 175.080 174.700 -0.060 0.000 1.042 236 T CA -0.346 61.693 62.100 -0.101 0.000 0.931 236 T CB -0.432 68.391 68.868 -0.076 0.000 1.029 236 T HN 0.421 nan 8.240 nan 0.000 0.564 237 E N 1.063 121.229 120.200 -0.057 0.000 2.228 237 E HA -0.247 4.103 4.350 0.000 0.000 0.213 237 E C 0.390 176.977 176.600 -0.022 0.000 1.282 237 E CA 0.290 56.671 56.400 -0.033 0.000 0.707 237 E CB -2.248 27.438 29.700 -0.024 0.000 1.150 237 E HN 0.618 nan 8.360 nan 0.000 0.362 238 S N -2.405 113.283 115.700 -0.021 0.000 2.929 238 S HA -0.320 4.150 4.470 0.000 0.000 0.271 238 S C 1.313 175.909 174.600 -0.006 0.000 1.295 238 S CA 1.818 60.013 58.200 -0.010 0.000 1.277 238 S CB -0.742 62.456 63.200 -0.005 0.000 1.557 238 S HN 0.570 nan 8.310 nan 0.000 0.666 239 K N 1.705 122.097 120.400 -0.013 0.000 2.103 239 K HA 0.208 4.528 4.320 0.000 0.000 0.204 239 K C 1.202 177.799 176.600 -0.004 0.000 1.052 239 K CA 1.335 57.617 56.287 -0.009 0.000 0.945 239 K CB -0.331 32.160 32.500 -0.014 0.000 0.722 239 K HN 0.836 nan 8.250 nan 0.000 0.443 240 G N 0.192 108.987 108.800 -0.008 0.000 2.757 240 G HA2 -0.216 3.744 3.960 0.000 0.000 0.638 240 G HA3 -0.216 3.744 3.960 0.000 0.000 0.638 240 G C -0.507 174.386 174.900 -0.011 0.000 1.344 240 G CA -0.357 44.744 45.100 0.002 0.000 0.855 240 G HN 0.470 nan 8.290 nan 0.000 0.537 241 V N -2.360 117.550 119.914 -0.006 0.000 2.617 241 V HA 0.687 4.807 4.120 0.000 0.000 0.298 241 V C 0.972 177.048 176.094 -0.029 0.000 1.048 241 V CA 0.322 62.609 62.300 -0.023 0.000 0.964 241 V CB 1.870 33.676 31.823 -0.028 0.000 1.004 241 V HN 0.713 nan 8.190 nan 0.000 0.466 242 D N 2.223 122.601 120.400 -0.037 0.000 2.317 242 D HA 0.264 4.904 4.640 0.000 0.000 0.211 242 D C 0.677 176.941 176.300 -0.060 0.000 0.966 242 D CA 1.662 55.637 54.000 -0.043 0.000 0.876 242 D CB 0.839 41.617 40.800 -0.037 0.000 0.927 242 D HN 0.919 nan 8.370 nan 0.000 0.519 243 A N 0.193 122.969 122.820 -0.073 0.000 2.574 243 A HA 0.518 4.838 4.320 0.000 0.000 0.297 243 A C -1.179 176.318 177.584 -0.145 0.000 1.062 243 A CA -0.591 51.382 52.037 -0.108 0.000 0.686 243 A CB 1.849 20.785 19.000 -0.106 0.000 1.285 243 A HN -0.090 nan 8.150 nan 0.000 0.403 244 V N 2.105 121.873 119.914 -0.242 0.000 2.495 244 V HA 0.495 4.615 4.120 0.000 0.000 0.298 244 V C -0.495 175.332 176.094 -0.445 0.000 1.031 244 V CA -0.263 61.813 62.300 -0.372 0.000 0.871 244 V CB 1.616 33.084 31.823 -0.591 0.000 0.988 244 V HN 0.707 nan 8.190 nan 0.000 0.432 245 I N 3.754 124.129 120.570 -0.324 0.000 2.328 245 I HA 0.360 4.530 4.170 0.000 0.000 0.287 245 I C -0.704 175.268 176.117 -0.242 0.000 1.012 245 I CA -0.123 61.025 61.300 -0.253 0.000 1.195 245 I CB 1.428 39.336 38.000 -0.153 0.000 1.350 245 I HN 0.552 nan 8.210 nan 0.000 0.464 246 D N 8.429 128.698 120.400 -0.218 0.000 2.477 246 D HA 0.352 4.992 4.640 0.000 0.000 0.239 246 D C -0.749 175.589 176.300 0.063 0.000 1.102 246 D CA -0.329 53.634 54.000 -0.062 0.000 0.901 246 D CB 0.675 41.509 40.800 0.058 0.000 1.026 246 D HN 0.273 nan 8.370 nan 0.000 0.515 247 L N 3.294 124.523 121.223 0.011 0.000 2.305 247 L HA 0.321 4.662 4.340 0.000 0.000 0.281 247 L C 0.712 177.575 176.870 -0.012 0.000 1.085 247 L CA -0.637 54.212 54.840 0.016 0.000 0.813 247 L CB 0.553 42.603 42.059 -0.016 0.000 1.157 247 L HN 0.303 nan 8.230 nan 0.000 0.436 248 N N 1.915 120.576 118.700 -0.065 0.000 2.681 248 N HA -0.244 4.496 4.740 0.000 0.000 0.259 248 N C -0.701 174.677 175.510 -0.220 0.000 1.066 248 N CA 0.616 53.538 53.050 -0.215 0.000 0.717 248 N CB -1.232 37.156 38.487 -0.166 0.000 0.885 248 N HN 0.617 nan 8.380 nan 0.000 0.547 249 Y N -0.654 119.685 120.300 0.066 0.000 2.511 249 Y HA 0.441 4.991 4.550 0.000 0.000 0.347 249 Y C 1.094 177.023 175.900 0.048 0.000 1.257 249 Y CA -0.643 57.520 58.100 0.105 0.000 1.469 249 Y CB 0.451 39.021 38.460 0.184 0.000 1.353 249 Y HN 0.277 nan 8.280 nan 0.000 0.617 250 S N 0.011 115.834 115.700 0.206 0.000 2.740 250 S HA 0.295 4.765 4.470 0.000 0.000 0.300 250 S C 0.616 175.385 174.600 0.282 0.000 1.147 250 S CA -0.378 57.843 58.200 0.035 0.000 0.871 250 S CB 1.593 64.677 63.200 -0.193 0.000 1.173 250 S HN 0.884 nan 8.310 nan 0.000 0.510 251 E N 0.663 121.035 120.200 0.286 0.000 2.153 251 E HA -0.127 4.223 4.350 0.000 0.000 0.194 251 E C 1.534 178.219 176.600 0.142 0.000 0.988 251 E CA 1.143 57.686 56.400 0.238 0.000 0.811 251 E CB -0.148 29.701 29.700 0.248 0.000 0.746 251 E HN 0.636 nan 8.360 nan 0.000 0.466 252 K N -0.205 120.260 120.400 0.108 0.000 2.025 252 K HA -0.098 4.222 4.320 0.000 0.000 0.207 252 K C 2.460 179.114 176.600 0.089 0.000 1.049 252 K CA 1.776 58.106 56.287 0.071 0.000 0.933 252 K CB -0.255 32.272 32.500 0.046 0.000 0.714 252 K HN 0.269 nan 8.250 nan 0.000 0.438 253 T N 0.466 115.128 114.554 0.181 0.000 2.777 253 T HA -0.079 4.272 4.350 0.000 0.000 0.266 253 T C 2.008 176.882 174.700 0.290 0.000 1.040 253 T CA 0.840 63.140 62.100 0.334 0.000 1.141 253 T CB -0.526 68.609 68.868 0.445 0.000 0.868 253 T HN 0.061 nan 8.240 nan 0.000 0.444 254 L N 2.111 123.460 121.223 0.209 0.000 2.265 254 L HA -0.048 4.292 4.340 0.000 0.000 0.215 254 L C 3.068 179.947 176.870 0.015 0.000 1.117 254 L CA 1.404 56.272 54.840 0.047 0.000 0.782 254 L CB -0.714 41.326 42.059 -0.031 0.000 0.914 254 L HN 0.538 nan 8.230 nan 0.000 0.441 255 S N -1.920 113.808 115.700 0.046 0.000 2.501 255 S HA 0.016 4.486 4.470 0.000 0.000 0.220 255 S C 1.586 176.190 174.600 0.007 0.000 0.997 255 S CA 0.310 58.536 58.200 0.044 0.000 0.919 255 S CB 0.179 63.405 63.200 0.043 0.000 0.778 255 S HN 0.152 nan 8.310 nan 0.000 0.523 256 V N -0.141 119.724 119.914 -0.082 0.000 2.721 256 V HA 0.168 4.288 4.120 0.000 0.000 0.236 256 V C 1.910 177.893 176.094 -0.184 0.000 1.116 256 V CA 0.645 62.803 62.300 -0.236 0.000 1.148 256 V CB -0.907 30.576 31.823 -0.567 0.000 0.886 256 V HN 0.380 nan 8.190 nan 0.000 0.490 257 Y N 0.593 121.004 120.300 0.184 0.000 2.333 257 Y HA -0.033 4.517 4.550 0.000 0.000 0.290 257 Y C -0.224 175.851 175.900 0.292 0.000 1.144 257 Y CA 0.663 58.919 58.100 0.260 0.000 1.228 257 Y CB -2.085 36.583 38.460 0.347 0.000 0.985 257 Y HN 0.375 nan 8.280 nan 0.000 0.542 258 P HA -0.157 nan 4.420 nan 0.000 0.221 258 P C 1.025 178.421 177.300 0.159 0.000 1.145 258 P CA 1.733 64.869 63.100 0.060 0.000 0.795 258 P CB -0.031 31.535 31.700 -0.223 0.000 0.775 259 K N -0.633 119.897 120.400 0.216 0.000 2.360 259 K HA -0.016 4.304 4.320 0.000 0.000 0.201 259 K C 1.857 178.545 176.600 0.146 0.000 1.046 259 K CA 1.124 57.526 56.287 0.192 0.000 0.945 259 K CB -0.343 32.234 32.500 0.128 0.000 0.750 259 K HN 0.088 nan 8.250 nan 0.000 0.464 260 A N 0.919 123.841 122.820 0.170 0.000 2.169 260 A HA 0.077 4.397 4.320 0.000 0.000 0.212 260 A C 0.735 178.377 177.584 0.095 0.000 1.153 260 A CA 0.066 52.188 52.037 0.142 0.000 0.756 260 A CB -0.175 18.947 19.000 0.203 0.000 0.813 260 A HN 0.109 nan 8.150 nan 0.000 0.471 261 L N 0.692 121.970 121.223 0.091 0.000 2.453 261 L HA 0.313 4.653 4.340 0.000 0.000 0.272 261 L C 0.942 177.824 176.870 0.020 0.000 1.182 261 L CA -0.435 54.426 54.840 0.034 0.000 0.858 261 L CB 0.626 42.673 42.059 -0.019 0.000 1.120 261 L HN 0.315 nan 8.230 nan 0.000 0.474 262 A N 4.284 127.104 122.820 -0.000 0.000 2.296 262 A HA 0.325 4.645 4.320 0.000 0.000 0.264 262 A C 0.067 177.646 177.584 -0.008 0.000 1.097 262 A CA -0.545 51.490 52.037 -0.002 0.000 0.811 262 A CB 0.270 19.263 19.000 -0.011 0.000 1.072 262 A HN 0.715 nan 8.150 nan 0.000 0.495 263 K N 0.405 120.804 120.400 -0.003 0.000 2.485 263 K HA 0.113 4.433 4.320 0.000 0.000 0.277 263 K C 0.131 176.720 176.600 -0.017 0.000 0.990 263 K CA 0.716 57.000 56.287 -0.005 0.000 0.994 263 K CB 0.100 32.601 32.500 0.002 0.000 0.906 263 K HN 0.717 nan 8.250 nan 0.000 0.488 264 Q N -1.255 118.531 119.800 -0.024 0.000 2.305 264 Q HA -0.184 4.156 4.340 0.000 0.000 0.203 264 Q C 0.416 176.384 176.000 -0.052 0.000 0.663 264 Q CA 0.732 56.515 55.803 -0.033 0.000 1.389 264 Q CB -1.817 26.908 28.738 -0.023 0.000 1.566 264 Q HN 0.905 nan 8.270 nan 0.000 0.755 265 G N 1.237 110.000 108.800 -0.062 0.000 2.414 265 G HA2 0.220 4.180 3.960 0.000 0.000 0.236 265 G HA3 0.220 4.180 3.960 0.000 0.000 0.236 265 G C -0.262 174.566 174.900 -0.121 0.000 1.293 265 G CA -0.139 44.913 45.100 -0.080 0.000 0.869 265 G HN 0.045 nan 8.290 nan 0.000 0.556 266 K N 1.017 121.351 120.400 -0.110 0.000 2.235 266 K HA 0.191 4.511 4.320 0.000 0.000 0.266 266 K C -1.496 175.028 176.600 -0.127 0.000 0.980 266 K CA -0.652 55.561 56.287 -0.123 0.000 0.849 266 K CB 2.169 34.620 32.500 -0.083 0.000 1.098 266 K HN 0.533 nan 8.250 nan 0.000 0.445 267 Y N 3.136 123.258 120.300 -0.295 0.000 2.504 267 Y HA 0.165 4.715 4.550 0.000 0.000 0.339 267 Y C -0.594 175.265 175.900 -0.067 0.000 0.974 267 Y CA -0.722 57.253 58.100 -0.209 0.000 1.232 267 Y CB 0.704 38.942 38.460 -0.370 0.000 1.108 267 Y HN 0.236 nan 8.280 nan 0.000 0.509 268 V N 8.202 128.026 119.914 -0.150 0.000 2.368 268 V HA 0.218 4.338 4.120 0.000 0.000 0.266 268 V C 0.126 176.219 176.094 -0.002 0.000 1.045 268 V CA -0.322 61.953 62.300 -0.041 0.000 0.899 268 V CB 0.215 31.989 31.823 -0.082 0.000 1.006 268 V HN 0.748 nan 8.190 nan 0.000 0.470 269 M N 5.180 124.865 119.600 0.142 0.000 2.336 269 M HA 0.860 5.340 4.480 0.000 0.000 0.342 269 M C -1.260 175.170 176.300 0.216 0.000 1.128 269 M CA -0.701 54.728 55.300 0.215 0.000 1.016 269 M CB 1.887 34.595 32.600 0.180 0.000 1.665 269 M HN 0.231 nan 8.290 nan 0.000 0.445 270 V N 1.862 121.951 119.914 0.292 0.000 2.638 270 V HA 0.986 5.106 4.120 0.000 0.000 0.306 270 V C 0.270 176.492 176.094 0.214 0.000 1.052 270 V CA 0.041 62.463 62.300 0.202 0.000 0.885 270 V CB 1.387 33.259 31.823 0.081 0.000 0.999 270 V HN 1.239 nan 8.190 nan 0.000 0.424 271 G N 2.935 111.829 108.800 0.157 0.000 2.347 271 G HA2 0.109 4.069 3.960 0.000 0.000 0.341 271 G HA3 0.109 4.069 3.960 0.000 0.000 0.341 271 G C -0.967 173.967 174.900 0.057 0.000 1.287 271 G CA -0.535 44.562 45.100 -0.006 0.000 0.984 271 G HN 0.725 nan 8.290 nan 0.000 0.526 272 L N -0.166 121.022 121.223 -0.058 0.000 3.358 272 L HA 0.387 4.727 4.340 0.000 0.000 0.301 272 L C 0.446 177.311 176.870 -0.009 0.000 1.276 272 L CA -0.325 54.508 54.840 -0.011 0.000 1.028 272 L CB 0.473 42.453 42.059 -0.132 0.000 1.421 272 L HN 0.460 nan 8.230 nan 0.000 0.604 273 F N 1.385 121.196 119.950 -0.232 0.000 2.518 273 F HA 0.408 4.936 4.527 0.000 0.000 0.359 273 F C 1.343 177.171 175.800 0.047 0.000 1.118 273 F CA -0.613 57.298 58.000 -0.147 0.000 1.287 273 F CB 0.977 39.811 39.000 -0.275 0.000 1.132 273 F HN -0.019 nan 8.300 nan 0.000 0.587 274 G N 4.855 113.055 108.800 -1.000 0.000 2.588 274 G HA2 0.485 4.445 3.960 0.000 0.000 0.297 274 G HA3 0.485 4.445 3.960 0.000 0.000 0.297 274 G C -0.815 173.641 174.900 -0.741 0.000 0.874 274 G CA 0.303 44.971 45.100 -0.720 0.000 1.607 274 G HN 0.973 nan 8.290 nan 0.000 0.486 275 A N 2.875 125.577 122.820 -0.196 0.000 2.594 275 A HA 0.719 5.039 4.320 0.000 0.000 0.295 275 A C -1.130 176.413 177.584 -0.069 0.000 1.071 275 A CA -0.857 51.178 52.037 -0.004 0.000 0.685 275 A CB 1.729 20.957 19.000 0.380 0.000 1.285 275 A HN 0.434 nan 8.150 nan 0.000 0.405 276 D N 0.690 120.977 120.400 -0.189 0.000 2.252 276 D HA 0.465 5.105 4.640 0.000 0.000 0.245 276 D C -0.835 175.116 176.300 -0.581 0.000 1.009 276 D CA -0.270 53.518 54.000 -0.353 0.000 0.870 276 D CB 2.256 42.856 40.800 -0.335 0.000 1.251 276 D HN 0.393 nan 8.370 nan 0.000 0.460 277 L N 3.061 123.997 121.223 -0.479 0.000 2.281 277 L HA 0.203 4.543 4.340 0.000 0.000 0.285 277 L C -0.933 175.697 176.870 -0.400 0.000 1.074 277 L CA 0.033 54.581 54.840 -0.487 0.000 0.817 277 L CB 0.184 41.933 42.059 -0.517 0.000 1.168 277 L HN 0.263 nan 8.230 nan 0.000 0.434 278 H N 5.750 124.746 119.070 -0.124 0.000 2.800 278 H HA 0.411 4.967 4.556 0.000 0.000 0.322 278 H C -1.543 173.799 175.328 0.024 0.000 0.979 278 H CA -0.386 55.629 56.048 -0.056 0.000 1.277 278 H CB 1.077 30.817 29.762 -0.035 0.000 1.484 278 H HN 0.624 nan 8.280 nan 0.000 0.512 279 Y N 1.086 121.369 120.300 -0.028 0.000 2.513 279 Y HA 0.152 4.702 4.550 0.000 0.000 0.340 279 Y C -0.387 175.561 175.900 0.081 0.000 1.055 279 Y CA -0.888 57.213 58.100 0.001 0.000 1.020 279 Y CB 1.285 39.689 38.460 -0.093 0.000 1.301 279 Y HN 0.629 nan 8.280 nan 0.000 0.453 280 H N 3.920 122.765 119.070 -0.375 0.000 3.026 280 H HA 0.362 4.918 4.556 0.000 0.000 0.289 280 H C 0.846 176.171 175.328 -0.006 0.000 1.022 280 H CA 0.605 56.544 56.048 -0.181 0.000 1.477 280 H CB 1.251 30.865 29.762 -0.248 0.000 1.510 280 H HN 0.852 nan 8.280 nan 0.000 0.535 281 A N 7.166 129.838 122.820 -0.246 0.000 1.892 281 A HA -0.149 4.171 4.320 0.000 0.000 0.218 281 A C -0.344 177.151 177.584 -0.150 0.000 1.188 281 A CA 1.521 53.478 52.037 -0.133 0.000 0.631 281 A CB -1.372 17.550 19.000 -0.130 0.000 0.822 281 A HN 0.672 nan 8.150 nan 0.000 0.447 282 P HA -0.136 nan 4.420 nan 0.000 0.218 282 P C 1.337 178.625 177.300 -0.019 0.000 1.148 282 P CA 0.862 63.865 63.100 -0.161 0.000 0.822 282 P CB -0.151 31.433 31.700 -0.193 0.000 0.784 283 L N -1.644 119.596 121.223 0.029 0.000 2.093 283 L HA -0.132 4.208 4.340 0.000 0.000 0.208 283 L C 2.349 179.345 176.870 0.211 0.000 1.085 283 L CA 1.254 56.188 54.840 0.156 0.000 0.755 283 L CB -0.744 41.435 42.059 0.201 0.000 0.904 283 L HN -0.032 nan 8.230 nan 0.000 0.435 284 I N -0.048 120.664 120.570 0.236 0.000 2.252 284 I HA -0.253 3.917 4.170 0.000 0.000 0.245 284 I C 2.795 178.969 176.117 0.095 0.000 1.102 284 I CA 1.885 63.303 61.300 0.197 0.000 1.385 284 I CB -0.509 37.632 38.000 0.236 0.000 1.064 284 I HN 0.416 nan 8.210 nan 0.000 0.414 285 T N -0.452 114.140 114.554 0.064 0.000 2.812 285 T HA -0.070 4.280 4.350 0.000 0.000 0.264 285 T C 1.937 176.656 174.700 0.032 0.000 1.042 285 T CA 0.744 62.865 62.100 0.036 0.000 1.140 285 T CB -0.722 68.156 68.868 0.016 0.000 0.870 285 T HN 0.223 nan 8.240 nan 0.000 0.445 286 L N 0.938 122.182 121.223 0.036 0.000 2.079 286 L HA -0.041 4.299 4.340 0.000 0.000 0.210 286 L C 2.669 179.559 176.870 0.034 0.000 1.081 286 L CA 1.355 56.215 54.840 0.034 0.000 0.752 286 L CB -0.395 41.688 42.059 0.040 0.000 0.896 286 L HN 0.324 nan 8.230 nan 0.000 0.433 287 S N -1.641 114.085 115.700 0.044 0.000 2.540 287 S HA 0.041 4.511 4.470 0.000 0.000 0.218 287 S C 0.355 174.963 174.600 0.013 0.000 0.977 287 S CA -0.221 57.999 58.200 0.032 0.000 0.918 287 S CB 0.181 63.409 63.200 0.047 0.000 0.806 287 S HN 0.335 nan 8.310 nan 0.000 0.496 288 E N 1.265 121.474 120.200 0.015 0.000 2.440 288 E HA -0.216 4.134 4.350 0.000 0.000 0.246 288 E C 0.058 176.644 176.600 -0.024 0.000 1.165 288 E CA 0.438 56.839 56.400 0.002 0.000 0.726 288 E CB -1.678 28.022 29.700 -0.001 0.000 1.271 288 E HN 0.732 nan 8.360 nan 0.000 0.397 289 I N -2.504 118.042 120.570 -0.040 0.000 2.886 289 I HA 0.279 4.449 4.170 0.000 0.000 0.299 289 I C 0.303 176.331 176.117 -0.149 0.000 1.044 289 I CA -0.509 60.713 61.300 -0.131 0.000 1.310 289 I CB 0.726 38.584 38.000 -0.237 0.000 1.441 289 I HN -0.073 nan 8.210 nan 0.000 0.578 290 Q N 2.707 122.364 119.800 -0.238 0.000 2.323 290 Q HA 0.494 4.834 4.340 0.000 0.000 0.271 290 Q C -1.814 173.999 176.000 -0.312 0.000 1.048 290 Q CA -0.490 55.215 55.803 -0.163 0.000 0.792 290 Q CB 2.750 31.446 28.738 -0.071 0.000 1.280 290 Q HN 0.551 nan 8.270 nan 0.000 0.441 291 F N 1.807 121.748 119.950 -0.015 0.000 2.411 291 F HA 0.476 5.003 4.527 0.000 0.000 0.352 291 F C 0.034 175.842 175.800 0.013 0.000 1.123 291 F CA -0.876 57.124 58.000 -0.000 0.000 1.044 291 F CB 1.610 40.565 39.000 -0.076 0.000 1.135 291 F HN 0.248 nan 8.300 nan 0.000 0.461 292 V N 1.382 121.403 119.914 0.178 0.000 2.638 292 V HA 0.980 5.100 4.120 0.000 0.000 0.306 292 V C -0.277 175.881 176.094 0.107 0.000 1.052 292 V CA -0.547 61.820 62.300 0.112 0.000 0.885 292 V CB 1.238 33.098 31.823 0.062 0.000 0.999 292 V HN 0.797 nan 8.190 nan 0.000 0.424 293 G N 2.345 111.197 108.800 0.087 0.000 2.437 293 G HA2 0.657 4.617 3.960 0.000 0.000 0.319 293 G HA3 0.657 4.617 3.960 0.000 0.000 0.319 293 G C -0.598 174.349 174.900 0.078 0.000 1.158 293 G CA -0.295 44.854 45.100 0.081 0.000 0.899 293 G HN 1.382 nan 8.290 nan 0.000 0.502 294 S N -0.794 114.954 115.700 0.080 0.000 2.537 294 S HA 0.637 5.107 4.470 0.000 0.000 0.271 294 S C -1.863 172.768 174.600 0.050 0.000 1.148 294 S CA -0.500 57.741 58.200 0.068 0.000 0.868 294 S CB 1.568 64.796 63.200 0.048 0.000 1.115 294 S HN 0.806 nan 8.310 nan 0.000 0.461 295 L N 4.952 126.192 121.223 0.028 0.000 2.506 295 L HA 0.715 5.055 4.340 0.000 0.000 0.257 295 L C 0.559 177.316 176.870 -0.189 0.000 0.964 295 L CA 0.337 55.143 54.840 -0.056 0.000 0.836 295 L CB 1.529 43.592 42.059 0.007 0.000 1.384 295 L HN 1.204 nan 8.230 nan 0.000 0.410 296 V N 1.218 120.872 119.914 -0.434 0.000 0.691 296 V HA 0.053 4.173 4.120 0.000 0.000 0.092 296 V C 0.300 176.084 176.094 -0.517 0.000 0.770 296 V CA 0.847 62.706 62.300 -0.735 0.000 3.097 296 V CB -2.057 28.689 31.823 -1.794 0.000 0.182 296 V HN 2.197 nan 8.190 nan 0.000 0.067 297 G N -0.523 107.867 108.800 -0.684 0.000 2.441 297 G HA2 0.684 4.644 3.960 0.000 0.000 0.294 297 G HA3 0.684 4.644 3.960 0.000 0.000 0.294 297 G C -1.166 173.332 174.900 -0.669 0.000 1.393 297 G CA -0.201 44.490 45.100 -0.680 0.000 0.796 297 G HN 2.018 nan 8.290 nan 0.000 0.494 298 N N -1.125 117.337 118.700 -0.397 0.000 2.643 298 N HA 0.295 5.035 4.740 0.000 0.000 0.305 298 N C 0.996 176.563 175.510 0.096 0.000 1.283 298 N CA -0.627 52.408 53.050 -0.026 0.000 0.946 298 N CB 0.629 39.199 38.487 0.138 0.000 1.149 298 N HN 0.354 nan 8.380 nan 0.000 0.600 299 Q N -0.535 119.356 119.800 0.152 0.000 2.170 299 Q HA -0.126 4.214 4.340 0.000 0.000 0.203 299 Q C 1.565 177.663 176.000 0.165 0.000 0.976 299 Q CA 1.410 57.319 55.803 0.177 0.000 0.858 299 Q CB -0.415 28.401 28.738 0.130 0.000 0.907 299 Q HN 0.753 nan 8.270 nan 0.000 0.433 300 S N 0.687 116.453 115.700 0.109 0.000 2.371 300 S HA -0.129 4.341 4.470 0.000 0.000 0.224 300 S C 1.365 175.970 174.600 0.009 0.000 1.029 300 S CA 1.077 59.323 58.200 0.077 0.000 0.978 300 S CB -0.001 63.253 63.200 0.089 0.000 0.833 300 S HN 0.265 nan 8.310 nan 0.000 0.466 301 D N 0.487 120.897 120.400 0.017 0.000 2.123 301 D HA -0.112 4.529 4.640 0.000 0.000 0.196 301 D C 1.572 177.682 176.300 -0.316 0.000 0.992 301 D CA 1.059 54.982 54.000 -0.128 0.000 0.833 301 D CB -0.481 40.336 40.800 0.029 0.000 0.954 301 D HN 0.481 nan 8.370 nan 0.000 0.455 302 F N 1.237 121.061 119.950 -0.209 0.000 2.102 302 F HA -0.144 4.384 4.527 0.000 0.000 0.298 302 F C 2.155 177.803 175.800 -0.254 0.000 1.105 302 F CA 0.665 58.559 58.000 -0.177 0.000 1.239 302 F CB -0.503 38.484 39.000 -0.022 0.000 0.991 302 F HN -0.133 nan 8.300 nan 0.000 0.474 303 L N 0.648 121.787 121.223 -0.140 0.000 2.012 303 L HA -0.065 4.275 4.340 0.000 0.000 0.210 303 L C 2.601 179.266 176.870 -0.343 0.000 1.073 303 L CA 2.214 56.951 54.840 -0.172 0.000 0.748 303 L CB -1.590 40.494 42.059 0.042 0.000 0.891 303 L HN 0.259 nan 8.230 nan 0.000 0.431 304 G N -0.752 107.780 108.800 -0.445 0.000 2.421 304 G HA2 -0.315 3.645 3.960 0.000 0.000 0.216 304 G HA3 -0.315 3.645 3.960 0.000 0.000 0.216 304 G C 1.615 176.138 174.900 -0.629 0.000 1.171 304 G CA 1.003 45.756 45.100 -0.578 0.000 0.775 304 G HN 0.414 nan 8.290 nan 0.000 0.543 305 I N 0.322 120.383 120.570 -0.848 0.000 2.439 305 I HA -0.010 4.160 4.170 0.000 0.000 0.251 305 I C 2.463 178.335 176.117 -0.409 0.000 1.139 305 I CA 0.946 61.993 61.300 -0.422 0.000 1.438 305 I CB -0.066 37.768 38.000 -0.278 0.000 1.085 305 I HN 0.030 nan 8.210 nan 0.000 0.427 306 M N -0.222 118.971 119.600 -0.678 0.000 2.132 306 M HA -0.124 4.356 4.480 0.000 0.000 0.263 306 M C 2.399 178.348 176.300 -0.586 0.000 1.065 306 M CA 1.461 56.246 55.300 -0.858 0.000 1.122 306 M CB -1.342 30.186 32.600 -1.787 0.000 1.365 306 M HN 0.227 nan 8.290 nan 0.000 0.411 307 R N 0.114 120.354 120.500 -0.433 0.000 2.073 307 R HA -0.090 4.250 4.340 0.000 0.000 0.234 307 R C 2.287 178.533 176.300 -0.091 0.000 1.134 307 R CA 1.227 57.239 56.100 -0.147 0.000 0.952 307 R CB -0.518 29.749 30.300 -0.055 0.000 0.850 307 R HN 0.350 nan 8.270 nan 0.000 0.433 308 L N -0.127 121.043 121.223 -0.088 0.000 2.046 308 L HA -0.174 4.167 4.340 0.000 0.000 0.208 308 L C 2.688 179.531 176.870 -0.045 0.000 1.077 308 L CA 1.364 56.187 54.840 -0.029 0.000 0.747 308 L CB -0.575 41.498 42.059 0.024 0.000 0.896 308 L HN 0.247 nan 8.230 nan 0.000 0.432 309 A N -0.563 122.204 122.820 -0.089 0.000 1.898 309 A HA -0.170 4.150 4.320 0.000 0.000 0.216 309 A C 2.216 179.765 177.584 -0.059 0.000 1.181 309 A CA 1.290 53.281 52.037 -0.076 0.000 0.620 309 A CB -0.353 18.580 19.000 -0.112 0.000 0.819 309 A HN 0.337 nan 8.150 nan 0.000 0.442 310 E N -0.190 119.968 120.200 -0.072 0.000 2.153 310 E HA -0.105 4.245 4.350 0.000 0.000 0.194 310 E C 2.022 178.622 176.600 0.000 0.000 0.988 310 E CA 1.103 57.493 56.400 -0.016 0.000 0.811 310 E CB -0.279 29.439 29.700 0.031 0.000 0.746 310 E HN 0.574 nan 8.360 nan 0.000 0.466 311 A N -0.088 122.728 122.820 -0.006 0.000 2.238 311 A HA 0.252 4.572 4.320 0.000 0.000 0.208 311 A C 1.703 179.285 177.584 -0.002 0.000 1.177 311 A CA 0.999 53.037 52.037 0.002 0.000 0.804 311 A CB -0.137 18.865 19.000 0.004 0.000 0.823 311 A HN 0.278 nan 8.150 nan 0.000 0.482 312 G N -0.249 108.546 108.800 -0.008 0.000 2.148 312 G HA2 -0.321 3.639 3.960 0.000 0.000 0.254 312 G HA3 -0.321 3.639 3.960 0.000 0.000 0.254 312 G C 0.878 175.774 174.900 -0.007 0.000 0.981 312 G CA 0.854 45.949 45.100 -0.007 0.000 0.670 312 G HN 0.561 nan 8.290 nan 0.000 0.528 313 K N -0.972 119.425 120.400 -0.006 0.000 2.288 313 K HA 0.290 4.611 4.320 0.000 0.000 0.201 313 K C 0.709 177.308 176.600 -0.002 0.000 1.048 313 K CA 1.103 57.389 56.287 -0.002 0.000 0.956 313 K CB 0.464 32.967 32.500 0.004 0.000 0.746 313 K HN 0.341 nan 8.250 nan 0.000 0.461 314 V N 1.591 121.503 119.914 -0.005 0.000 2.760 314 V HA 0.183 4.303 4.120 0.000 0.000 0.309 314 V C -0.783 175.306 176.094 -0.008 0.000 1.077 314 V CA -1.131 61.167 62.300 -0.003 0.000 0.910 314 V CB 2.123 33.950 31.823 0.007 0.000 1.008 314 V HN 0.029 nan 8.190 nan 0.000 0.424 315 K N 3.819 124.214 120.400 -0.007 0.000 2.118 315 K HA 0.533 4.853 4.320 0.000 0.000 0.267 315 K C -2.532 174.065 176.600 -0.006 0.000 0.991 315 K CA -1.524 54.758 56.287 -0.007 0.000 0.916 315 K CB 0.857 33.353 32.500 -0.007 0.000 1.041 315 K HN 0.391 nan 8.250 nan 0.000 0.455 316 P HA -0.039 nan 4.420 nan 0.000 0.269 316 P C -0.436 176.864 177.300 -0.001 0.000 1.217 316 P CA 0.282 63.379 63.100 -0.004 0.000 0.783 316 P CB 0.466 32.164 31.700 -0.004 0.000 0.898 317 M N 1.246 120.848 119.600 0.003 0.000 2.240 317 M HA 0.166 4.646 4.480 0.000 0.000 0.333 317 M C 0.569 176.870 176.300 0.002 0.000 1.110 317 M CA -0.113 55.190 55.300 0.005 0.000 1.173 317 M CB 0.072 32.679 32.600 0.011 0.000 1.458 317 M HN 0.207 nan 8.290 nan 0.000 0.458 318 I N 1.952 122.523 120.570 0.000 0.000 2.662 318 I HA -0.030 4.140 4.170 0.000 0.000 0.285 318 I C 0.091 176.206 176.117 -0.002 0.000 1.161 318 I CA 0.702 62.002 61.300 -0.001 0.000 1.415 318 I CB 0.011 38.010 38.000 -0.001 0.000 1.385 318 I HN 0.642 nan 8.210 nan 0.000 0.552 319 T N 5.841 120.393 114.554 -0.004 0.000 2.887 319 T HA 0.453 4.803 4.350 0.000 0.000 0.288 319 T C -0.538 174.156 174.700 -0.011 0.000 1.021 319 T CA -0.824 61.272 62.100 -0.007 0.000 1.000 319 T CB 1.972 70.835 68.868 -0.007 0.000 1.034 319 T HN 0.356 nan 8.240 nan 0.000 0.467 320 K N 2.319 122.710 120.400 -0.016 0.000 2.545 320 K HA 0.488 4.809 4.320 0.000 0.000 0.252 320 K C -0.263 176.320 176.600 -0.028 0.000 0.948 320 K CA -0.530 55.746 56.287 -0.019 0.000 0.827 320 K CB 0.695 33.184 32.500 -0.018 0.000 1.128 320 K HN 0.716 nan 8.250 nan 0.000 0.429 321 T N 1.959 116.496 114.554 -0.028 0.000 2.909 321 T HA 0.684 5.034 4.350 0.000 0.000 0.289 321 T C 0.336 175.010 174.700 -0.044 0.000 1.005 321 T CA -0.619 61.459 62.100 -0.037 0.000 1.084 321 T CB 0.598 69.446 68.868 -0.032 0.000 0.975 321 T HN 0.586 nan 8.240 nan 0.000 0.509 322 M N 0.903 120.468 119.600 -0.058 0.000 2.755 322 M HA 0.469 4.949 4.480 0.000 0.000 0.273 322 M C -0.524 175.730 176.300 -0.077 0.000 1.278 322 M CA -1.236 54.025 55.300 -0.064 0.000 0.819 322 M CB 2.296 34.851 32.600 -0.075 0.000 1.694 322 M HN 0.456 nan 8.290 nan 0.000 0.460 323 K N 0.718 121.073 120.400 -0.075 0.000 2.098 323 K HA 0.288 4.608 4.320 0.000 0.000 0.257 323 K C 0.587 177.122 176.600 -0.108 0.000 0.999 323 K CA -0.537 55.703 56.287 -0.078 0.000 0.924 323 K CB 1.343 33.808 32.500 -0.058 0.000 1.028 323 K HN 0.514 nan 8.250 nan 0.000 0.466 324 L N 2.164 123.322 121.223 -0.108 0.000 2.013 324 L HA -0.222 4.118 4.340 0.000 0.000 0.212 324 L C 1.582 178.378 176.870 -0.123 0.000 1.073 324 L CA 2.023 56.780 54.840 -0.137 0.000 0.753 324 L CB -0.526 41.478 42.059 -0.093 0.000 0.890 324 L HN 0.598 nan 8.230 nan 0.000 0.432 325 E N 0.181 120.334 120.200 -0.077 0.000 2.273 325 E HA -0.215 4.135 4.350 0.000 0.000 0.198 325 E C 1.834 178.397 176.600 -0.063 0.000 1.002 325 E CA 1.358 57.725 56.400 -0.055 0.000 0.828 325 E CB -0.262 29.415 29.700 -0.037 0.000 0.747 325 E HN 0.653 nan 8.360 nan 0.000 0.491 326 E N -0.387 119.763 120.200 -0.084 0.000 2.465 326 E HA 0.170 4.520 4.350 0.000 0.000 0.191 326 E C 1.639 178.177 176.600 -0.104 0.000 1.053 326 E CA 0.262 56.615 56.400 -0.079 0.000 0.869 326 E CB 0.215 29.871 29.700 -0.073 0.000 0.977 326 E HN 0.251 nan 8.360 nan 0.000 0.483 327 A N 2.163 124.892 122.820 -0.152 0.000 1.884 327 A HA -0.300 4.020 4.320 0.000 0.000 0.219 327 A C 1.961 179.500 177.584 -0.075 0.000 1.197 327 A CA 1.690 53.604 52.037 -0.205 0.000 0.637 327 A CB -0.449 18.383 19.000 -0.280 0.000 0.827 327 A HN 0.216 nan 8.150 nan 0.000 0.450 328 N N -0.659 118.024 118.700 -0.028 0.000 2.104 328 N HA -0.182 4.558 4.740 0.000 0.000 0.190 328 N C 1.831 177.333 175.510 -0.014 0.000 1.024 328 N CA 1.575 54.625 53.050 -0.000 0.000 0.853 328 N CB -0.364 38.128 38.487 0.008 0.000 1.008 328 N HN 0.786 nan 8.380 nan 0.000 0.424 329 E N 0.810 120.994 120.200 -0.026 0.000 2.058 329 E HA -0.145 4.205 4.350 0.000 0.000 0.194 329 E C 1.892 178.473 176.600 -0.032 0.000 0.997 329 E CA 1.172 57.557 56.400 -0.025 0.000 0.801 329 E CB -0.031 29.651 29.700 -0.030 0.000 0.746 329 E HN 0.304 nan 8.360 nan 0.000 0.450 330 A N 1.193 123.983 122.820 -0.050 0.000 1.883 330 A HA -0.201 4.119 4.320 0.000 0.000 0.217 330 A C 2.194 179.753 177.584 -0.041 0.000 1.186 330 A CA 1.672 53.676 52.037 -0.055 0.000 0.624 330 A CB -0.742 18.204 19.000 -0.090 0.000 0.822 330 A HN 0.373 nan 8.150 nan 0.000 0.444 331 I N -0.283 120.269 120.570 -0.029 0.000 2.394 331 I HA -0.210 3.960 4.170 0.000 0.000 0.251 331 I C 1.751 177.840 176.117 -0.046 0.000 1.136 331 I CA 1.240 62.522 61.300 -0.031 0.000 1.425 331 I CB -0.538 37.463 38.000 0.002 0.000 1.079 331 I HN 0.263 nan 8.210 nan 0.000 0.425 332 D N 1.182 121.567 120.400 -0.025 0.000 2.097 332 D HA -0.156 4.484 4.640 0.000 0.000 0.195 332 D C 1.857 178.149 176.300 -0.013 0.000 0.989 332 D CA 1.151 55.143 54.000 -0.013 0.000 0.827 332 D CB -0.481 40.319 40.800 -0.001 0.000 0.966 332 D HN 0.318 nan 8.370 nan 0.000 0.456 333 N N 0.616 119.306 118.700 -0.018 0.000 2.205 333 N HA -0.117 4.623 4.740 0.000 0.000 0.186 333 N C 2.064 177.548 175.510 -0.043 0.000 1.015 333 N CA 0.397 53.439 53.050 -0.013 0.000 0.862 333 N CB -0.295 38.181 38.487 -0.017 0.000 0.986 333 N HN 0.296 nan 8.380 nan 0.000 0.429 334 L N 1.055 122.227 121.223 -0.084 0.000 2.156 334 L HA -0.050 4.290 4.340 0.000 0.000 0.208 334 L C 2.218 178.950 176.870 -0.229 0.000 1.095 334 L CA 0.848 55.587 54.840 -0.169 0.000 0.770 334 L CB -0.206 41.764 42.059 -0.148 0.000 0.914 334 L HN 0.140 nan 8.230 nan 0.000 0.439 335 E N 0.338 120.477 120.200 -0.101 0.000 2.047 335 E HA -0.142 4.208 4.350 0.000 0.000 0.191 335 E C 1.066 177.787 176.600 0.202 0.000 0.987 335 E CA 0.988 57.394 56.400 0.009 0.000 0.799 335 E CB 0.002 29.714 29.700 0.021 0.000 0.752 335 E HN 0.509 nan 8.360 nan 0.000 0.449 336 N N 0.556 119.355 118.700 0.166 0.000 2.362 336 N HA -0.006 4.734 4.740 0.000 0.000 0.204 336 N C -0.460 175.263 175.510 0.355 0.000 1.166 336 N CA 0.155 53.353 53.050 0.246 0.000 0.831 336 N CB 0.096 38.659 38.487 0.126 0.000 1.008 336 N HN 0.060 nan 8.380 nan 0.000 0.472 337 F N 0.492 120.462 119.950 0.032 0.000 3.056 337 F HA -0.276 4.251 4.527 0.000 0.000 0.266 337 F C 0.827 176.635 175.800 0.013 0.000 0.957 337 F CA 0.616 58.629 58.000 0.022 0.000 0.894 337 F CB -2.023 36.982 39.000 0.008 0.000 0.832 337 F HN 0.122 nan 8.300 nan 0.000 0.745 338 K N -0.496 119.975 120.400 0.118 0.000 2.397 338 K HA 0.573 4.893 4.320 0.000 0.000 0.202 338 K C 0.801 177.422 176.600 0.035 0.000 1.022 338 K CA 0.531 56.863 56.287 0.074 0.000 1.141 338 K CB 0.665 33.200 32.500 0.057 0.000 0.857 338 K HN 0.270 nan 8.250 nan 0.000 0.514 339 A N 1.520 124.349 122.820 0.015 0.000 2.280 339 A HA 0.578 4.898 4.320 0.000 0.000 0.320 339 A C -0.027 177.558 177.584 0.001 0.000 1.366 339 A CA -0.532 51.501 52.037 -0.006 0.000 0.938 339 A CB -0.208 18.771 19.000 -0.034 0.000 1.157 339 A HN 0.261 nan 8.150 nan 0.000 0.536 340 I N 1.852 122.426 120.570 0.006 0.000 2.291 340 I HA 0.719 4.889 4.170 0.000 0.000 0.290 340 I C 0.838 176.955 176.117 -0.000 0.000 1.050 340 I CA 0.343 61.647 61.300 0.008 0.000 1.245 340 I CB -0.227 nan 38.000 nan 0.000 1.405 340 I HN 2.138 nan 8.210 nan 0.000 0.478 341 G N 3.553 112.352 108.800 -0.001 0.000 2.619 341 G HA2 0.269 4.229 3.960 0.000 0.000 0.686 341 G HA3 0.269 4.229 3.960 0.000 0.000 0.686 341 G C -0.347 174.550 174.900 -0.006 0.000 1.256 341 G CA -0.479 44.619 45.100 -0.003 0.000 0.826 341 G HN 1.953 nan 8.290 nan 0.000 0.619 342 R N 0.791 121.289 120.500 -0.003 0.000 2.316 342 R HA 0.470 4.810 4.340 0.000 0.000 0.314 342 R C 0.720 177.013 176.300 -0.011 0.000 1.069 342 R CA 0.105 56.204 56.100 -0.002 0.000 0.959 342 R CB 0.078 30.382 30.300 0.008 0.000 0.987 342 R HN 0.586 nan 8.270 nan 0.000 0.446 343 Q N 2.554 122.343 119.800 -0.018 0.000 2.286 343 Q HA 0.386 4.726 4.340 0.000 0.000 0.257 343 Q C -0.793 175.182 176.000 -0.041 0.000 0.941 343 Q CA -0.563 55.220 55.803 -0.033 0.000 0.912 343 Q CB 1.856 30.568 28.738 -0.043 0.000 1.192 343 Q HN 0.316 nan 8.270 nan 0.000 0.410 344 V N 4.294 124.178 119.914 -0.049 0.000 2.577 344 V HA 0.372 4.492 4.120 0.000 0.000 0.303 344 V C -0.441 175.606 176.094 -0.079 0.000 1.042 344 V CA -0.764 61.503 62.300 -0.055 0.000 0.872 344 V CB 1.559 33.362 31.823 -0.034 0.000 0.998 344 V HN 0.632 nan 8.190 nan 0.000 0.423 345 L N 5.467 126.622 121.223 -0.112 0.000 2.334 345 L HA 0.617 4.957 4.340 0.000 0.000 0.277 345 L C -0.540 176.272 176.870 -0.096 0.000 1.075 345 L CA -0.406 54.353 54.840 -0.136 0.000 0.804 345 L CB 1.244 43.161 42.059 -0.237 0.000 1.174 345 L HN 0.472 nan 8.230 nan 0.000 0.438 346 I N 3.367 123.886 120.570 -0.085 0.000 2.437 346 I HA 0.309 4.479 4.170 0.000 0.000 0.279 346 I C -2.037 174.035 176.117 -0.075 0.000 1.028 346 I CA -1.670 59.588 61.300 -0.070 0.000 1.142 346 I CB 1.412 39.379 38.000 -0.054 0.000 1.266 346 I HN 0.388 nan 8.210 nan 0.000 0.461 347 P HA 0.000 nan 4.420 nan 0.000 0.216 347 P CA 0.000 63.047 63.100 -0.088 0.000 0.800 347 P CB 0.000 31.633 31.700 -0.112 0.000 0.726