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 2bk3_1_B DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLI 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.511 175.510 0.001 0.000 1.280 3 N CA 0.000 52.959 53.050 -0.152 0.000 0.885 3 N CB 0.000 38.424 38.487 -0.105 0.000 1.341 4 K N 1.815 122.229 120.400 0.024 0.000 2.159 4 K HA 0.626 4.946 4.320 -0.000 0.000 0.266 4 K C 0.172 176.811 176.600 0.064 0.000 0.975 4 K CA -0.459 55.854 56.287 0.043 0.000 0.865 4 K CB 2.051 34.562 32.500 0.018 0.000 1.087 4 K HN 0.613 nan 8.250 nan 0.000 0.446 5 C N -1.257 118.084 119.300 0.069 0.000 3.336 5 C HA 0.425 4.885 4.460 -0.000 0.000 0.339 5 C C 0.724 175.747 174.990 0.055 0.000 1.468 5 C CA -0.761 58.297 59.018 0.066 0.000 1.287 5 C CB 1.033 28.824 27.740 0.084 0.000 1.682 5 C HN 0.805 nan 8.230 nan 0.000 0.451 6 D N 0.300 120.736 120.400 0.059 0.000 2.120 6 D HA 0.119 4.759 4.640 -0.000 0.000 0.202 6 D C 0.360 176.720 176.300 0.102 0.000 0.972 6 D CA 1.691 55.734 54.000 0.072 0.000 0.837 6 D CB 0.208 41.050 40.800 0.069 0.000 0.989 6 D HN 0.491 nan 8.370 nan 0.000 0.469 7 V N 1.419 121.385 119.914 0.086 0.000 2.686 7 V HA 0.247 4.367 4.120 -0.000 0.000 0.306 7 V C -0.129 175.995 176.094 0.050 0.000 1.065 7 V CA -0.878 61.475 62.300 0.089 0.000 0.894 7 V CB 2.784 34.650 31.823 0.072 0.000 1.004 7 V HN -0.244 nan 8.190 nan 0.000 0.424 8 V N 5.141 125.081 119.914 0.042 0.000 2.432 8 V HA 0.378 4.498 4.120 -0.000 0.000 0.275 8 V C -0.014 176.074 176.094 -0.010 0.000 1.043 8 V CA -0.368 61.929 62.300 -0.005 0.000 0.925 8 V CB 1.755 33.568 31.823 -0.016 0.000 0.985 8 V HN 0.639 nan 8.190 nan 0.000 0.466 9 V N 6.211 126.105 119.914 -0.034 0.000 2.370 9 V HA 0.324 4.444 4.120 -0.000 0.000 0.279 9 V C 0.002 176.071 176.094 -0.042 0.000 1.029 9 V CA -0.579 61.706 62.300 -0.025 0.000 0.870 9 V CB 1.742 33.553 31.823 -0.019 0.000 0.984 9 V HN 0.603 nan 8.190 nan 0.000 0.451 10 V N 4.598 124.501 119.914 -0.018 0.000 2.368 10 V HA 0.813 4.933 4.120 -0.000 0.000 0.266 10 V C 0.687 176.786 176.094 0.008 0.000 1.045 10 V CA 0.411 62.701 62.300 -0.016 0.000 0.899 10 V CB 0.383 32.213 31.823 0.013 0.000 1.006 10 V HN 1.273 nan 8.190 nan 0.000 0.470 11 G N 3.578 112.370 108.800 -0.014 0.000 3.233 11 G HA2 0.225 4.185 3.960 -0.000 0.000 0.686 11 G HA3 0.225 4.185 3.960 -0.000 0.000 0.686 11 G C 0.021 174.922 174.900 0.002 0.000 1.153 11 G CA -0.508 44.595 45.100 0.006 0.000 0.853 11 G HN 1.202 nan 8.290 nan 0.000 0.582 12 G N 0.711 109.510 108.800 -0.002 0.000 4.291 12 G HA2 0.695 4.655 3.960 -0.000 0.000 0.304 12 G HA3 0.695 4.655 3.960 -0.000 0.000 0.304 12 G C 0.818 175.732 174.900 0.023 0.000 1.264 12 G CA 0.926 46.025 45.100 -0.001 0.000 1.039 12 G HN 1.289 nan 8.290 nan 0.000 0.578 13 G N -0.151 108.674 108.800 0.042 0.000 2.525 13 G HA2 0.376 4.336 3.960 -0.000 0.000 0.287 13 G HA3 0.376 4.336 3.960 -0.000 0.000 0.287 13 G C 1.167 176.093 174.900 0.044 0.000 1.350 13 G CA -0.780 44.355 45.100 0.058 0.000 1.039 13 G HN 0.138 nan 8.290 nan 0.000 0.513 14 I N -0.550 120.049 120.570 0.048 0.000 2.208 14 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 14 I C 3.029 179.169 176.117 0.039 0.000 1.097 14 I CA 1.561 62.882 61.300 0.035 0.000 1.363 14 I CB -0.102 37.922 38.000 0.040 0.000 1.051 14 I HN 0.461 nan 8.210 nan 0.000 0.413 15 S N 0.520 116.256 115.700 0.059 0.000 2.348 15 S HA -0.142 4.328 4.470 -0.000 0.000 0.221 15 S C 2.132 176.759 174.600 0.044 0.000 1.033 15 S CA 1.668 59.906 58.200 0.063 0.000 1.010 15 S CB -0.672 62.583 63.200 0.093 0.000 0.891 15 S HN 0.580 nan 8.310 nan 0.000 0.442 16 G N 1.627 110.452 108.800 0.042 0.000 2.440 16 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 16 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 16 G C 1.441 176.345 174.900 0.006 0.000 1.154 16 G CA 1.102 46.217 45.100 0.024 0.000 0.767 16 G HN 0.397 nan 8.290 nan 0.000 0.552 17 M N 1.167 120.769 119.600 0.003 0.000 2.132 17 M HA 0.083 4.563 4.480 -0.000 0.000 0.263 17 M C 3.000 179.293 176.300 -0.012 0.000 1.065 17 M CA 1.191 56.483 55.300 -0.012 0.000 1.122 17 M CB -1.343 31.247 32.600 -0.016 0.000 1.365 17 M HN 0.317 nan 8.290 nan 0.000 0.411 18 A N 0.211 123.030 122.820 -0.002 0.000 1.902 18 A HA 0.027 4.347 4.320 -0.000 0.000 0.217 18 A C 2.456 180.038 177.584 -0.002 0.000 1.181 18 A CA 2.046 54.082 52.037 -0.001 0.000 0.623 18 A CB -0.882 18.123 19.000 0.008 0.000 0.818 18 A HN 0.465 nan 8.150 nan 0.000 0.443 19 A N -0.088 122.731 122.820 -0.002 0.000 1.877 19 A HA 0.153 4.473 4.320 -0.000 0.000 0.216 19 A C 2.514 180.093 177.584 -0.008 0.000 1.186 19 A CA 2.156 54.186 52.037 -0.011 0.000 0.620 19 A CB -1.031 17.964 19.000 -0.008 0.000 0.822 19 A HN 1.044 nan 8.150 nan 0.000 0.443 20 A N -0.414 122.404 122.820 -0.004 0.000 1.898 20 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 20 A C 2.140 179.740 177.584 0.026 0.000 1.181 20 A CA 1.907 53.946 52.037 0.003 0.000 0.620 20 A CB -0.452 18.539 19.000 -0.015 0.000 0.819 20 A HN 0.545 nan 8.150 nan 0.000 0.442 21 K N -0.408 119.997 120.400 0.010 0.000 2.032 21 K HA -0.130 4.190 4.320 -0.000 0.000 0.209 21 K C 1.995 178.633 176.600 0.064 0.000 1.048 21 K CA 1.593 57.898 56.287 0.030 0.000 0.927 21 K CB -0.318 32.183 32.500 0.001 0.000 0.712 21 K HN 0.466 nan 8.250 nan 0.000 0.441 22 L N 1.182 122.421 121.223 0.026 0.000 2.017 22 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 22 L C 2.236 179.113 176.870 0.011 0.000 1.073 22 L CA 1.223 56.069 54.840 0.011 0.000 0.745 22 L CB -0.187 41.863 42.059 -0.015 0.000 0.894 22 L HN 0.242 nan 8.230 nan 0.000 0.432 23 L N -1.023 120.207 121.223 0.012 0.000 2.046 23 L HA -0.289 4.051 4.340 -0.000 0.000 0.208 23 L C 2.612 179.502 176.870 0.033 0.000 1.077 23 L CA 1.642 56.486 54.840 0.006 0.000 0.747 23 L CB -0.907 41.153 42.059 0.002 0.000 0.896 23 L HN 0.428 nan 8.230 nan 0.000 0.432 24 H N 0.296 119.353 119.070 -0.020 0.000 2.319 24 H HA -0.198 4.358 4.556 -0.000 0.000 0.299 24 H C 1.840 177.160 175.328 -0.013 0.000 1.092 24 H CA 2.083 58.123 56.048 -0.014 0.000 1.302 24 H CB 0.008 29.762 29.762 -0.013 0.000 1.373 24 H HN 0.231 nan 8.280 nan 0.000 0.497 25 D N -0.471 119.933 120.400 0.007 0.000 2.218 25 D HA -0.097 4.543 4.640 -0.000 0.000 0.204 25 D C 1.926 178.178 176.300 -0.080 0.000 0.976 25 D CA 1.247 55.220 54.000 -0.046 0.000 0.853 25 D CB -0.241 40.573 40.800 0.024 0.000 0.939 25 D HN 0.346 nan 8.370 nan 0.000 0.481 26 S N -1.038 114.625 115.700 -0.062 0.000 2.561 26 S HA 0.223 4.693 4.470 -0.000 0.000 0.225 26 S C 1.610 176.165 174.600 -0.074 0.000 0.977 26 S CA 0.650 58.815 58.200 -0.057 0.000 0.926 26 S CB 0.583 63.757 63.200 -0.043 0.000 0.769 26 S HN 0.468 nan 8.310 nan 0.000 0.533 27 G N 0.831 109.561 108.800 -0.117 0.000 2.163 27 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.213 27 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.213 27 G C -0.050 174.802 174.900 -0.080 0.000 0.991 27 G CA -0.360 44.669 45.100 -0.119 0.000 0.653 27 G HN 0.412 nan 8.290 nan 0.000 0.518 28 L N 0.607 121.796 121.223 -0.056 0.000 2.399 28 L HA 0.449 4.789 4.340 -0.000 0.000 0.266 28 L C 0.135 177.014 176.870 0.014 0.000 1.114 28 L CA -1.086 53.747 54.840 -0.012 0.000 0.804 28 L CB 0.633 42.694 42.059 0.003 0.000 1.146 28 L HN -0.008 nan 8.230 nan 0.000 0.451 29 N N 1.969 120.690 118.700 0.034 0.000 2.406 29 N HA 0.287 5.027 4.740 -0.000 0.000 0.251 29 N C -0.707 174.844 175.510 0.067 0.000 1.069 29 N CA -0.113 52.972 53.050 0.059 0.000 0.947 29 N CB 1.572 40.089 38.487 0.050 0.000 1.111 29 N HN 0.365 nan 8.380 nan 0.000 0.497 30 V N 0.171 120.134 119.914 0.082 0.000 2.715 30 V HA 0.733 4.853 4.120 -0.000 0.000 0.310 30 V C -0.124 175.991 176.094 0.035 0.000 1.054 30 V CA -0.719 61.615 62.300 0.056 0.000 0.928 30 V CB 1.948 33.804 31.823 0.054 0.000 1.007 30 V HN 0.153 nan 8.190 nan 0.000 0.437 31 V N 3.893 123.810 119.914 0.004 0.000 2.656 31 V HA 0.561 4.681 4.120 -0.000 0.000 0.307 31 V C -0.354 175.685 176.094 -0.091 0.000 1.051 31 V CA -0.539 61.735 62.300 -0.044 0.000 0.893 31 V CB 2.100 33.887 31.823 -0.060 0.000 0.999 31 V HN 0.840 nan 8.190 nan 0.000 0.426 32 V N 6.029 125.881 119.914 -0.104 0.000 2.384 32 V HA 0.452 4.572 4.120 -0.000 0.000 0.287 32 V C -0.243 175.757 176.094 -0.156 0.000 1.020 32 V CA -0.445 61.791 62.300 -0.106 0.000 0.850 32 V CB 1.512 33.292 31.823 -0.071 0.000 0.987 32 V HN 0.616 nan 8.190 nan 0.000 0.436 33 L N 4.572 125.687 121.223 -0.180 0.000 2.262 33 L HA 0.579 4.919 4.340 -0.000 0.000 0.288 33 L C -0.115 176.674 176.870 -0.135 0.000 1.035 33 L CA -0.326 54.391 54.840 -0.205 0.000 0.820 33 L CB 1.289 43.188 42.059 -0.267 0.000 1.204 33 L HN 0.607 nan 8.230 nan 0.000 0.424 34 E N 2.345 122.470 120.200 -0.124 0.000 2.158 34 E HA 0.476 4.826 4.350 -0.000 0.000 0.271 34 E C 0.368 176.865 176.600 -0.170 0.000 0.911 34 E CA -0.306 56.023 56.400 -0.117 0.000 0.767 34 E CB 2.050 31.703 29.700 -0.079 0.000 1.120 34 E HN 0.544 nan 8.360 nan 0.000 0.405 35 A N 5.463 128.121 122.820 -0.271 0.000 1.898 35 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 35 A C 1.048 178.399 177.584 -0.389 0.000 1.181 35 A CA 1.004 52.745 52.037 -0.493 0.000 0.620 35 A CB -0.185 18.140 19.000 -1.125 0.000 0.819 35 A HN 0.607 nan 8.150 nan 0.000 0.442 36 R N -0.068 120.283 120.500 -0.248 0.000 2.580 36 R HA 0.241 4.581 4.340 -0.000 0.000 0.267 36 R C 0.235 176.493 176.300 -0.071 0.000 1.125 36 R CA 0.130 56.161 56.100 -0.114 0.000 1.188 36 R CB 0.153 30.427 30.300 -0.043 0.000 1.155 36 R HN 0.453 nan 8.270 nan 0.000 0.586 37 D N 0.383 120.760 120.400 -0.037 0.000 2.338 37 D HA -0.054 4.586 4.640 -0.000 0.000 0.239 37 D C -0.066 176.232 176.300 -0.002 0.000 1.095 37 D CA 0.219 54.208 54.000 -0.020 0.000 0.888 37 D CB -0.056 40.738 40.800 -0.010 0.000 0.899 37 D HN 0.437 nan 8.370 nan 0.000 0.525 38 R N -1.202 119.299 120.500 0.000 0.000 2.764 38 R HA 0.583 4.923 4.340 -0.000 0.000 0.270 38 R C -0.706 175.613 176.300 0.031 0.000 1.014 38 R CA -1.116 55.003 56.100 0.032 0.000 0.904 38 R CB 1.274 31.617 30.300 0.073 0.000 1.236 38 R HN -0.097 nan 8.270 nan 0.000 0.466 39 V N -1.488 118.453 119.914 0.045 0.000 3.109 39 V HA 0.868 4.988 4.120 -0.000 0.000 0.317 39 V C 0.898 177.045 176.094 0.089 0.000 1.074 39 V CA 0.408 62.734 62.300 0.044 0.000 1.033 39 V CB 0.828 32.663 31.823 0.020 0.000 1.111 39 V HN 1.193 nan 8.190 nan 0.000 0.458 40 G N -0.737 108.114 108.800 0.086 0.000 2.391 40 G HA2 0.177 4.137 3.960 -0.000 0.000 0.204 40 G HA3 0.177 4.137 3.960 -0.000 0.000 0.204 40 G C 1.587 176.574 174.900 0.145 0.000 1.012 40 G CA 0.724 45.895 45.100 0.119 0.000 0.651 40 G HN 2.625 nan 8.290 nan 0.000 0.494 41 G N 0.598 109.494 108.800 0.160 0.000 2.602 41 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.310 41 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.310 41 G C 0.934 175.991 174.900 0.261 0.000 1.183 41 G CA 1.434 46.645 45.100 0.184 0.000 0.979 41 G HN 1.174 nan 8.290 nan 0.000 0.545 42 R N 1.810 122.377 120.500 0.113 0.000 2.323 42 R HA 0.212 4.552 4.340 -0.000 0.000 0.198 42 R C 1.100 177.309 176.300 -0.152 0.000 0.988 42 R CA 1.065 57.062 56.100 -0.172 0.000 1.041 42 R CB -0.195 29.961 30.300 -0.239 0.000 0.926 42 R HN 0.714 nan 8.270 nan 0.000 0.476 43 T N -2.373 112.238 114.554 0.095 0.000 2.829 43 T HA 0.345 4.695 4.350 -0.000 0.000 0.282 43 T C -0.938 173.994 174.700 0.388 0.000 0.990 43 T CA -0.618 61.591 62.100 0.182 0.000 1.028 43 T CB 1.547 70.486 68.868 0.118 0.000 0.951 43 T HN 0.091 nan 8.240 nan 0.000 0.460 44 Y N 1.316 121.773 120.300 0.262 0.000 2.323 44 Y HA 0.429 4.979 4.550 -0.000 0.000 0.322 44 Y C -1.114 174.902 175.900 0.193 0.000 1.133 44 Y CA -0.867 57.382 58.100 0.247 0.000 1.093 44 Y CB 1.622 40.284 38.460 0.336 0.000 1.203 44 Y HN 0.879 nan 8.280 nan 0.000 0.427 45 T N 7.766 122.179 114.554 -0.235 0.000 2.756 45 T HA 0.402 4.752 4.350 -0.000 0.000 0.290 45 T C -0.872 173.522 174.700 -0.510 0.000 0.985 45 T CA -0.384 61.562 62.100 -0.257 0.000 0.955 45 T CB 0.547 69.371 68.868 -0.075 0.000 0.930 45 T HN 0.556 nan 8.240 nan 0.000 0.451 46 L N 4.512 125.452 121.223 -0.472 0.000 2.292 46 L HA 0.634 4.973 4.340 -0.000 0.000 0.284 46 L C -0.288 176.511 176.870 -0.119 0.000 1.065 46 L CA -0.179 54.452 54.840 -0.349 0.000 0.806 46 L CB 0.522 42.452 42.059 -0.215 0.000 1.175 46 L HN 0.428 nan 8.230 nan 0.000 0.431 47 R N 3.568 124.020 120.500 -0.079 0.000 2.494 47 R HA 0.644 4.984 4.340 -0.000 0.000 0.305 47 R C -1.022 175.255 176.300 -0.038 0.000 0.959 47 R CA -0.576 55.504 56.100 -0.034 0.000 0.864 47 R CB 1.286 31.578 30.300 -0.015 0.000 1.159 47 R HN 0.888 nan 8.270 nan 0.000 0.446 48 N N -0.926 117.736 118.700 -0.063 0.000 3.020 48 N HA 0.088 4.828 4.740 -0.000 0.000 0.248 48 N C -0.127 175.324 175.510 -0.097 0.000 1.480 48 N CA -0.849 52.161 53.050 -0.067 0.000 0.874 48 N CB 0.635 39.085 38.487 -0.062 0.000 1.433 48 N HN 0.133 nan 8.380 nan 0.000 0.530 49 Q N -0.219 119.532 119.800 -0.083 0.000 2.167 49 Q HA 0.042 4.382 4.340 -0.000 0.000 0.202 49 Q C 0.722 176.679 176.000 -0.071 0.000 0.970 49 Q CA 1.314 57.083 55.803 -0.057 0.000 0.855 49 Q CB -0.058 28.656 28.738 -0.040 0.000 0.911 49 Q HN 0.540 nan 8.270 nan 0.000 0.438 50 K N -0.008 120.259 120.400 -0.221 0.000 2.155 50 K HA -0.058 4.262 4.320 -0.000 0.000 0.203 50 K C 1.988 178.401 176.600 -0.312 0.000 1.052 50 K CA 1.334 57.396 56.287 -0.376 0.000 0.948 50 K CB 0.002 31.944 32.500 -0.931 0.000 0.728 50 K HN 0.271 nan 8.250 nan 0.000 0.448 51 V N -2.599 117.090 119.914 -0.375 0.000 3.661 51 V HA 0.199 4.319 4.120 -0.000 0.000 0.271 51 V C 1.460 177.158 176.094 -0.661 0.000 1.315 51 V CA 0.675 62.709 62.300 -0.444 0.000 1.072 51 V CB 0.118 31.720 31.823 -0.368 0.000 0.830 51 V HN 0.268 nan 8.190 nan 0.000 0.443 52 K N 0.573 120.653 120.400 -0.533 0.000 11.208 52 K HA -0.307 4.013 4.320 -0.000 0.000 0.528 52 K C 0.154 176.641 176.600 -0.188 0.000 0.393 52 K CA 2.548 58.566 56.287 -0.450 0.000 1.921 52 K CB -1.481 30.537 32.500 -0.802 0.000 0.787 52 K HN 0.939 nan 8.250 nan 0.000 1.252 53 Y N -1.802 118.348 120.300 -0.249 0.000 2.562 53 Y HA 0.742 5.292 4.550 -0.000 0.000 0.345 53 Y C -1.153 174.708 175.900 -0.066 0.000 1.045 53 Y CA -0.792 57.227 58.100 -0.134 0.000 1.028 53 Y CB 2.086 40.487 38.460 -0.099 0.000 1.297 53 Y HN 0.018 nan 8.280 nan 0.000 0.463 54 V N 2.289 122.260 119.914 0.095 0.000 2.851 54 V HA 0.383 4.503 4.120 -0.000 0.000 0.307 54 V C -1.582 174.579 176.094 0.113 0.000 1.129 54 V CA -0.640 61.723 62.300 0.105 0.000 0.932 54 V CB 1.982 33.889 31.823 0.140 0.000 1.024 54 V HN 0.921 nan 8.190 nan 0.000 0.426 55 D N 5.633 126.113 120.400 0.132 0.000 2.339 55 D HA 0.302 4.942 4.640 -0.000 0.000 0.256 55 D C 0.849 177.248 176.300 0.164 0.000 1.214 55 D CA 0.197 54.265 54.000 0.115 0.000 0.877 55 D CB 1.831 42.668 40.800 0.063 0.000 1.111 55 D HN 0.517 nan 8.370 nan 0.000 0.478 56 L N 1.419 122.792 121.223 0.250 0.000 2.554 56 L HA 0.213 4.553 4.340 -0.000 0.000 0.225 56 L C 1.531 178.807 176.870 0.678 0.000 1.104 56 L CA 0.088 55.173 54.840 0.410 0.000 0.866 56 L CB 0.316 42.627 42.059 0.420 0.000 1.047 56 L HN 0.327 nan 8.230 nan 0.000 0.468 57 G N -0.718 108.412 108.800 0.550 0.000 3.247 57 G HA2 0.427 4.387 3.960 -0.000 0.000 0.163 57 G HA3 0.427 4.387 3.960 -0.000 0.000 0.163 57 G C -0.143 174.799 174.900 0.070 0.000 1.206 57 G CA -0.040 45.205 45.100 0.241 0.000 0.918 57 G HN 0.090 nan 8.290 nan 0.000 0.625 58 G N -0.805 107.964 108.800 -0.052 0.000 2.321 58 G HA2 0.365 4.325 3.960 -0.000 0.000 0.237 58 G HA3 0.365 4.325 3.960 -0.000 0.000 0.237 58 G C 0.525 175.406 174.900 -0.031 0.000 1.282 58 G CA 0.925 45.996 45.100 -0.049 0.000 0.886 58 G HN 0.841 nan 8.290 nan 0.000 0.528 59 S N 1.083 116.705 115.700 -0.130 0.000 3.113 59 S HA 0.192 4.662 4.470 -0.000 0.000 0.265 59 S C 0.050 174.404 174.600 -0.409 0.000 1.079 59 S CA -0.317 57.704 58.200 -0.299 0.000 0.892 59 S CB -0.005 62.857 63.200 -0.564 0.000 0.880 59 S HN 0.493 nan 8.310 nan 0.000 0.444 60 Y N 2.742 123.002 120.300 -0.065 0.000 2.299 60 Y HA 0.554 5.104 4.550 -0.000 0.000 0.326 60 Y C 0.290 176.062 175.900 -0.213 0.000 1.164 60 Y CA -0.426 57.584 58.100 -0.150 0.000 1.234 60 Y CB 1.183 39.597 38.460 -0.076 0.000 1.219 60 Y HN 0.123 nan 8.280 nan 0.000 0.497 61 V N -0.523 119.272 119.914 -0.199 0.000 3.130 61 V HA 1.099 5.219 4.120 -0.000 0.000 0.310 61 V C -0.372 175.533 176.094 -0.315 0.000 1.158 61 V CA -0.522 61.586 62.300 -0.320 0.000 1.029 61 V CB 1.703 33.270 31.823 -0.426 0.000 1.057 61 V HN 0.968 nan 8.190 nan 0.000 0.436 62 G N 0.293 108.865 108.800 -0.380 0.000 2.606 62 G HA2 0.733 4.693 3.960 -0.000 0.000 0.300 62 G HA3 0.733 4.693 3.960 -0.000 0.000 0.300 62 G C -3.434 171.306 174.900 -0.267 0.000 1.360 62 G CA -1.095 43.832 45.100 -0.288 0.000 0.783 62 G HN 0.731 nan 8.290 nan 0.000 0.484 63 P HA 0.125 nan 4.420 nan 0.000 0.267 63 P C 0.775 178.051 177.300 -0.040 0.000 1.200 63 P CA 1.944 64.996 63.100 -0.080 0.000 0.772 63 P CB 0.914 32.595 31.700 -0.033 0.000 0.855 64 T N -1.597 112.966 114.554 0.014 0.000 7.013 64 T HA -0.256 4.094 4.350 -0.000 0.000 0.288 64 T C 0.281 175.001 174.700 0.033 0.000 2.146 64 T CA 1.053 63.233 62.100 0.133 0.000 3.498 64 T CB -2.684 66.385 68.868 0.335 0.000 1.517 64 T HN 0.593 nan 8.240 nan 0.000 1.113 65 Q N 1.355 121.005 119.800 -0.250 0.000 3.207 65 Q HA 0.361 4.701 4.340 -0.000 0.000 0.335 65 Q C 0.913 176.817 176.000 -0.161 0.000 1.374 65 Q CA -0.444 55.118 55.803 -0.401 0.000 1.023 65 Q CB 0.171 28.485 28.738 -0.706 0.000 1.576 65 Q HN 0.509 nan 8.270 nan 0.000 0.515 66 N N 0.733 119.408 118.700 -0.042 0.000 2.409 66 N HA -0.060 4.680 4.740 -0.000 0.000 0.179 66 N C 1.219 176.737 175.510 0.014 0.000 1.032 66 N CA 0.764 53.815 53.050 0.001 0.000 0.898 66 N CB 0.290 38.801 38.487 0.039 0.000 0.971 66 N HN 0.373 nan 8.380 nan 0.000 0.441 67 R N 0.475 120.986 120.500 0.019 0.000 2.062 67 R HA 0.040 4.380 4.340 -0.000 0.000 0.229 67 R C 2.043 178.358 176.300 0.025 0.000 1.128 67 R CA 0.609 56.728 56.100 0.032 0.000 0.960 67 R CB -0.326 30.006 30.300 0.053 0.000 0.855 67 R HN 0.064 nan 8.270 nan 0.000 0.432 68 I N 1.280 121.860 120.570 0.017 0.000 2.286 68 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 68 I C 1.793 177.972 176.117 0.104 0.000 1.115 68 I CA 1.435 62.768 61.300 0.054 0.000 1.392 68 I CB -0.066 37.974 38.000 0.066 0.000 1.065 68 I HN 0.109 nan 8.210 nan 0.000 0.418 69 L N 0.028 121.295 121.223 0.073 0.000 2.056 69 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 69 L C 2.741 179.652 176.870 0.069 0.000 1.078 69 L CA 1.269 56.168 54.840 0.098 0.000 0.749 69 L CB -0.830 41.245 42.059 0.027 0.000 0.901 69 L HN 0.241 nan 8.230 nan 0.000 0.433 70 R N 0.753 121.276 120.500 0.037 0.000 2.066 70 R HA -0.185 4.155 4.340 -0.000 0.000 0.232 70 R C 2.311 178.617 176.300 0.011 0.000 1.131 70 R CA 1.665 57.780 56.100 0.024 0.000 0.955 70 R CB -0.585 29.728 30.300 0.022 0.000 0.851 70 R HN 0.252 nan 8.270 nan 0.000 0.432 71 L N 1.143 122.369 121.223 0.005 0.000 2.017 71 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 71 L C 2.406 179.241 176.870 -0.059 0.000 1.073 71 L CA 2.296 57.123 54.840 -0.021 0.000 0.745 71 L CB -0.814 41.233 42.059 -0.021 0.000 0.894 71 L HN 0.234 nan 8.230 nan 0.000 0.432 72 A N -0.606 122.167 122.820 -0.079 0.000 1.902 72 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 72 A C 2.463 179.990 177.584 -0.095 0.000 1.181 72 A CA 1.957 53.881 52.037 -0.190 0.000 0.623 72 A CB -0.646 18.148 19.000 -0.345 0.000 0.818 72 A HN 0.512 nan 8.150 nan 0.000 0.443 73 K N -0.317 120.076 120.400 -0.012 0.000 2.032 73 K HA -0.216 4.104 4.320 -0.000 0.000 0.209 73 K C 2.072 178.663 176.600 -0.015 0.000 1.048 73 K CA 1.718 58.008 56.287 0.004 0.000 0.927 73 K CB -0.199 32.316 32.500 0.026 0.000 0.712 73 K HN 0.612 nan 8.250 nan 0.000 0.441 74 E N 0.425 120.614 120.200 -0.018 0.000 2.118 74 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 74 E C 1.644 178.224 176.600 -0.033 0.000 0.992 74 E CA 1.091 57.480 56.400 -0.020 0.000 0.804 74 E CB -0.002 29.689 29.700 -0.015 0.000 0.741 74 E HN 0.355 nan 8.360 nan 0.000 0.458 75 L N -0.793 120.397 121.223 -0.056 0.000 2.599 75 L HA 0.135 4.475 4.340 -0.000 0.000 0.230 75 L C 1.350 178.178 176.870 -0.070 0.000 1.141 75 L CA 0.449 55.246 54.840 -0.071 0.000 0.877 75 L CB 0.181 42.176 42.059 -0.106 0.000 1.009 75 L HN 0.380 nan 8.230 nan 0.000 0.447 76 G N 0.218 108.986 108.800 -0.054 0.000 2.131 76 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.223 76 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.223 76 G C 0.072 174.946 174.900 -0.043 0.000 0.990 76 G CA -0.367 44.709 45.100 -0.040 0.000 0.671 76 G HN 0.193 nan 8.290 nan 0.000 0.521 77 L N -0.003 121.181 121.223 -0.064 0.000 2.379 77 L HA 0.687 5.027 4.340 -0.000 0.000 0.269 77 L C 0.630 177.533 176.870 0.056 0.000 1.084 77 L CA -0.643 54.165 54.840 -0.053 0.000 0.802 77 L CB 1.103 43.032 42.059 -0.217 0.000 1.175 77 L HN 0.186 nan 8.230 nan 0.000 0.448 78 E N 0.115 120.387 120.200 0.121 0.000 2.299 78 E HA 0.457 4.807 4.350 -0.000 0.000 0.265 78 E C -0.858 175.892 176.600 0.251 0.000 0.911 78 E CA -0.687 55.808 56.400 0.158 0.000 0.789 78 E CB 2.409 32.176 29.700 0.111 0.000 1.246 78 E HN 0.655 nan 8.360 nan 0.000 0.427 79 T N -1.282 113.371 114.554 0.165 0.000 2.952 79 T HA 0.617 4.967 4.350 -0.000 0.000 0.286 79 T C -0.750 174.025 174.700 0.126 0.000 1.024 79 T CA -0.704 61.427 62.100 0.050 0.000 1.029 79 T CB 0.705 69.486 68.868 -0.145 0.000 1.094 79 T HN 0.519 nan 8.240 nan 0.000 0.515 80 Y N -1.417 118.878 120.300 -0.008 0.000 2.609 80 Y HA 0.727 5.277 4.550 0.000 0.000 0.342 80 Y C -0.748 175.152 175.900 -0.000 0.000 1.058 80 Y CA -1.547 56.560 58.100 0.012 0.000 1.055 80 Y CB 1.412 39.900 38.460 0.047 0.000 1.292 80 Y HN 0.626 nan 8.280 nan 0.000 0.476 81 K N 2.288 122.768 120.400 0.133 0.000 2.297 81 K HA 0.418 4.738 4.320 -0.000 0.000 0.286 81 K C -0.819 175.836 176.600 0.090 0.000 1.053 81 K CA -0.731 55.575 56.287 0.032 0.000 0.940 81 K CB 1.553 34.087 32.500 0.056 0.000 1.019 81 K HN 0.590 nan 8.250 nan 0.000 0.475 82 V N 3.338 123.245 119.914 -0.012 0.000 2.673 82 V HA -0.113 4.007 4.120 -0.000 0.000 0.303 82 V C 0.590 176.727 176.094 0.073 0.000 1.046 82 V CA -0.128 62.209 62.300 0.062 0.000 1.126 82 V CB 0.281 32.120 31.823 0.027 0.000 0.934 82 V HN 0.726 nan 8.190 nan 0.000 0.487 83 N N 3.897 122.662 118.700 0.109 0.000 2.438 83 N HA 0.021 4.761 4.740 -0.000 0.000 0.267 83 N C 0.240 175.769 175.510 0.032 0.000 1.222 83 N CA 0.507 53.608 53.050 0.086 0.000 0.930 83 N CB 0.240 38.803 38.487 0.127 0.000 1.083 83 N HN 0.822 nan 8.380 nan 0.000 0.476 84 E N 2.939 123.148 120.200 0.015 0.000 3.254 84 E HA 0.112 4.462 4.350 -0.000 0.000 0.184 84 E C 0.242 176.836 176.600 -0.009 0.000 0.967 84 E CA -0.053 56.336 56.400 -0.017 0.000 1.311 84 E CB 0.260 29.935 29.700 -0.042 0.000 1.071 84 E HN 0.438 nan 8.360 nan 0.000 0.456 85 V N 0.439 120.360 119.914 0.012 0.000 2.379 85 V HA -0.129 3.991 4.120 -0.000 0.000 0.245 85 V C 0.942 177.042 176.094 0.009 0.000 1.044 85 V CA 1.533 63.840 62.300 0.011 0.000 1.036 85 V CB -0.090 31.744 31.823 0.017 0.000 0.664 85 V HN 0.245 nan 8.190 nan 0.000 0.453 86 E N -0.689 119.524 120.200 0.022 0.000 3.099 86 E HA 0.413 4.763 4.350 -0.000 0.000 0.259 86 E C 0.165 176.776 176.600 0.018 0.000 1.274 86 E CA -0.658 55.761 56.400 0.033 0.000 1.111 86 E CB 0.293 30.030 29.700 0.062 0.000 1.327 86 E HN 0.293 nan 8.360 nan 0.000 0.652 87 R N 0.192 120.729 120.500 0.060 0.000 2.490 87 R HA 0.311 4.651 4.340 -0.000 0.000 0.278 87 R C -0.525 175.731 176.300 -0.074 0.000 1.069 87 R CA -0.576 55.531 56.100 0.012 0.000 1.080 87 R CB 0.168 30.544 30.300 0.126 0.000 1.030 87 R HN 0.175 nan 8.270 nan 0.000 0.491 88 L N 2.494 123.505 121.223 -0.353 0.000 2.456 88 L HA 0.390 4.730 4.340 -0.000 0.000 0.257 88 L C 0.179 176.850 176.870 -0.333 0.000 1.162 88 L CA 0.135 54.678 54.840 -0.496 0.000 0.808 88 L CB 0.505 41.971 42.059 -0.987 0.000 1.136 88 L HN 0.462 nan 8.230 nan 0.000 0.466 89 I N 0.276 120.789 120.570 -0.094 0.000 2.436 89 I HA 0.265 4.434 4.170 -0.000 0.000 0.289 89 I C -0.603 175.805 176.117 0.486 0.000 1.010 89 I CA -0.491 60.898 61.300 0.148 0.000 1.098 89 I CB 1.519 39.445 38.000 -0.123 0.000 1.266 89 I HN 0.553 nan 8.210 nan 0.000 0.434 90 H N 5.417 124.804 119.070 0.528 0.000 2.541 90 H HA 0.302 4.858 4.556 -0.000 0.000 0.316 90 H C -1.228 174.335 175.328 0.392 0.000 1.043 90 H CA -0.701 55.592 56.048 0.408 0.000 1.232 90 H CB 0.867 30.768 29.762 0.231 0.000 1.406 90 H HN 0.598 nan 8.280 nan 0.000 0.469 91 H N 4.832 124.054 119.070 0.254 0.000 2.597 91 H HA 0.335 4.891 4.556 -0.000 0.000 0.303 91 H C -1.252 174.091 175.328 0.025 0.000 1.057 91 H CA -0.494 55.625 56.048 0.117 0.000 1.261 91 H CB 0.735 30.562 29.762 0.108 0.000 1.397 91 H HN 0.366 nan 8.280 nan 0.000 0.461 92 V N 4.961 124.749 119.914 -0.209 0.000 2.638 92 V HA 0.335 4.455 4.120 -0.000 0.000 0.306 92 V C -0.455 175.578 176.094 -0.101 0.000 1.052 92 V CA -0.919 61.288 62.300 -0.155 0.000 0.885 92 V CB 1.441 33.088 31.823 -0.293 0.000 0.999 92 V HN 1.032 nan 8.190 nan 0.000 0.424 93 K N 4.732 125.101 120.400 -0.051 0.000 3.148 93 K HA -0.201 4.119 4.320 -0.000 0.000 0.267 93 K C 0.981 177.541 176.600 -0.067 0.000 0.996 93 K CA 0.881 57.155 56.287 -0.021 0.000 0.737 93 K CB -1.681 30.825 32.500 0.010 0.000 1.308 93 K HN 2.185 nan 8.250 nan 0.000 0.470 94 G N 0.040 108.756 108.800 -0.141 0.000 2.148 94 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.254 94 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.254 94 G C -0.091 174.648 174.900 -0.269 0.000 0.981 94 G CA 0.996 46.040 45.100 -0.093 0.000 0.670 94 G HN 0.448 nan 8.290 nan 0.000 0.528 95 K N 0.023 120.079 120.400 -0.573 0.000 2.464 95 K HA 0.613 4.933 4.320 -0.000 0.000 0.253 95 K C -0.562 175.662 176.600 -0.627 0.000 0.933 95 K CA -0.534 55.462 56.287 -0.485 0.000 0.801 95 K CB 1.411 33.675 32.500 -0.392 0.000 1.271 95 K HN 0.051 nan 8.250 nan 0.000 0.430 96 S N 2.306 117.801 115.700 -0.342 0.000 2.480 96 S HA 0.387 4.857 4.470 -0.000 0.000 0.286 96 S C -1.397 173.002 174.600 -0.335 0.000 1.180 96 S CA -0.388 57.746 58.200 -0.110 0.000 1.075 96 S CB 0.260 63.506 63.200 0.076 0.000 0.996 96 S HN 0.391 nan 8.310 nan 0.000 0.487 97 Y N 2.622 123.005 120.300 0.139 0.000 2.447 97 Y HA 0.359 4.909 4.550 -0.000 0.000 0.325 97 Y C -2.506 173.588 175.900 0.323 0.000 0.976 97 Y CA -2.436 55.783 58.100 0.198 0.000 1.280 97 Y CB 0.798 39.361 38.460 0.172 0.000 1.104 97 Y HN 0.456 nan 8.280 nan 0.000 0.486 98 P HA 0.251 nan 4.420 nan 0.000 0.271 98 P C -0.851 176.747 177.300 0.497 0.000 1.218 98 P CA -0.034 63.295 63.100 0.381 0.000 0.780 98 P CB 0.608 32.516 31.700 0.347 0.000 0.901 99 F N -0.920 119.151 119.950 0.202 0.000 2.779 99 F HA 0.695 5.222 4.527 0.000 0.000 0.316 99 F C -1.232 174.646 175.800 0.130 0.000 1.164 99 F CA -1.281 56.826 58.000 0.178 0.000 0.924 99 F CB 1.450 40.560 39.000 0.183 0.000 1.348 99 F HN 0.018 nan 8.300 nan 0.000 0.467 100 R N 1.089 121.707 120.500 0.196 0.000 2.807 100 R HA 0.746 5.086 4.340 -0.000 0.000 0.276 100 R C -0.426 175.988 176.300 0.191 0.000 0.979 100 R CA -0.744 55.390 56.100 0.057 0.000 0.928 100 R CB 1.698 32.047 30.300 0.081 0.000 1.191 100 R HN 1.502 nan 8.270 nan 0.000 0.471 101 G N 1.920 110.772 108.800 0.086 0.000 2.707 101 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.686 101 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.686 101 G C -1.969 173.018 174.900 0.144 0.000 1.315 101 G CA -0.762 44.408 45.100 0.116 0.000 0.832 101 G HN 0.423 nan 8.290 nan 0.000 0.573 102 P HA 0.085 nan 4.420 nan 0.000 0.218 102 P C 0.605 177.768 177.300 -0.228 0.000 1.152 102 P CA 1.033 64.030 63.100 -0.172 0.000 0.826 102 P CB 0.104 31.535 31.700 -0.449 0.000 0.790 103 F N 1.377 121.288 119.950 -0.066 0.000 2.410 103 F HA 0.382 4.909 4.527 0.000 0.000 0.349 103 F C -1.915 173.722 175.800 -0.271 0.000 1.117 103 F CA -2.880 54.978 58.000 -0.237 0.000 1.104 103 F CB 0.288 39.042 39.000 -0.408 0.000 1.122 103 F HN -0.245 nan 8.300 nan 0.000 0.483 104 P HA 0.066 nan 4.420 nan 0.000 0.265 104 P C -2.384 174.675 177.300 -0.402 0.000 1.222 104 P CA -0.742 61.826 63.100 -0.886 0.000 0.767 104 P CB -0.137 31.108 31.700 -0.759 0.000 0.801 105 P HA 0.229 nan 4.420 nan 0.000 0.278 105 P C -0.900 176.234 177.300 -0.278 0.000 1.258 105 P CA -0.308 62.639 63.100 -0.255 0.000 0.811 105 P CB 0.937 32.516 31.700 -0.203 0.000 1.063 106 V N -2.959 116.746 119.914 -0.348 0.000 3.007 106 V HA 0.477 4.597 4.120 -0.000 0.000 0.311 106 V C -0.189 175.705 176.094 -0.332 0.000 1.120 106 V CA -0.660 61.464 62.300 -0.294 0.000 0.980 106 V CB 2.042 33.632 31.823 -0.389 0.000 1.033 106 V HN 0.611 nan 8.190 nan 0.000 0.429 107 W N -0.393 120.881 121.300 -0.045 0.000 2.777 107 W HA 0.333 4.993 4.660 -0.000 0.000 0.260 107 W C 1.274 177.788 176.519 -0.009 0.000 1.194 107 W CA 0.174 57.508 57.345 -0.019 0.000 1.447 107 W CB 0.273 29.714 29.460 -0.031 0.000 1.009 107 W HN 0.694 nan 8.180 nan 0.000 0.613 108 N N 2.279 121.091 118.700 0.186 0.000 2.447 108 N HA -0.041 4.699 4.740 -0.000 0.000 0.263 108 N C -1.776 173.798 175.510 0.108 0.000 1.226 108 N CA -0.354 52.769 53.050 0.122 0.000 0.906 108 N CB 1.522 40.063 38.487 0.089 0.000 1.060 108 N HN -0.147 nan 8.380 nan 0.000 0.468 109 P HA -0.086 nan 4.420 nan 0.000 0.216 109 P C 1.516 178.881 177.300 0.108 0.000 1.153 109 P CA 0.699 63.844 63.100 0.075 0.000 0.848 109 P CB 0.340 32.062 31.700 0.038 0.000 0.787 110 I N -0.659 119.962 120.570 0.085 0.000 2.252 110 I HA -0.152 4.018 4.170 -0.000 0.000 0.245 110 I C 1.954 178.133 176.117 0.104 0.000 1.102 110 I CA 1.816 63.163 61.300 0.077 0.000 1.385 110 I CB -2.041 35.998 38.000 0.065 0.000 1.064 110 I HN 0.012 nan 8.210 nan 0.000 0.414 111 T N 0.373 114.996 114.554 0.115 0.000 2.759 111 T HA -0.248 4.102 4.350 -0.000 0.000 0.269 111 T C 1.878 176.658 174.700 0.134 0.000 1.042 111 T CA 1.425 63.608 62.100 0.138 0.000 1.140 111 T CB -0.601 68.322 68.868 0.091 0.000 0.864 111 T HN 0.299 nan 8.240 nan 0.000 0.455 112 Y N 1.811 122.101 120.300 -0.017 0.000 2.128 112 Y HA -0.110 4.440 4.550 -0.000 0.000 0.284 112 Y C 2.039 177.945 175.900 0.010 0.000 1.154 112 Y CA 1.189 59.259 58.100 -0.050 0.000 1.149 112 Y CB -0.483 37.921 38.460 -0.093 0.000 0.976 112 Y HN 0.113 nan 8.280 nan 0.000 0.505 113 L N -0.260 121.058 121.223 0.157 0.000 2.046 113 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 113 L C 2.165 179.026 176.870 -0.014 0.000 1.077 113 L CA 1.787 56.665 54.840 0.062 0.000 0.747 113 L CB -0.645 41.449 42.059 0.058 0.000 0.896 113 L HN 0.230 nan 8.230 nan 0.000 0.432 114 D N -0.891 119.530 120.400 0.035 0.000 2.097 114 D HA -0.192 4.448 4.640 -0.000 0.000 0.197 114 D C 2.190 178.499 176.300 0.015 0.000 0.984 114 D CA 1.229 55.254 54.000 0.043 0.000 0.826 114 D CB 0.055 40.914 40.800 0.098 0.000 0.973 114 D HN 0.292 nan 8.370 nan 0.000 0.460 115 H N -0.181 118.829 119.070 -0.099 0.000 2.293 115 H HA -0.122 4.434 4.556 -0.000 0.000 0.300 115 H C 2.157 177.437 175.328 -0.081 0.000 1.082 115 H CA 1.244 57.235 56.048 -0.095 0.000 1.308 115 H CB -0.228 29.480 29.762 -0.089 0.000 1.375 115 H HN 0.281 nan 8.280 nan 0.000 0.495 116 N N 1.123 119.744 118.700 -0.132 0.000 2.094 116 N HA -0.190 4.550 4.740 -0.000 0.000 0.191 116 N C 1.802 177.245 175.510 -0.112 0.000 1.023 116 N CA 1.032 53.954 53.050 -0.214 0.000 0.857 116 N CB -0.231 38.022 38.487 -0.389 0.000 1.013 116 N HN 0.416 nan 8.380 nan 0.000 0.426 117 N N -0.132 118.516 118.700 -0.087 0.000 2.188 117 N HA -0.168 4.572 4.740 -0.000 0.000 0.184 117 N C 1.893 177.354 175.510 -0.081 0.000 1.018 117 N CA 0.649 53.653 53.050 -0.077 0.000 0.858 117 N CB -0.270 38.185 38.487 -0.053 0.000 0.989 117 N HN 0.241 nan 8.380 nan 0.000 0.426 118 F N 0.754 120.567 119.950 -0.228 0.000 2.075 118 F HA -0.120 4.407 4.527 -0.000 0.000 0.297 118 F C 1.776 177.388 175.800 -0.313 0.000 1.113 118 F CA 1.622 59.421 58.000 -0.335 0.000 1.218 118 F CB -0.938 37.725 39.000 -0.561 0.000 0.984 118 F HN 0.054 nan 8.300 nan 0.000 0.472 119 W N 0.670 121.646 121.300 -0.540 0.000 2.358 119 W HA -0.115 4.545 4.660 -0.000 0.000 0.303 119 W C 2.857 179.094 176.519 -0.469 0.000 1.208 119 W CA 1.499 58.469 57.345 -0.625 0.000 1.274 119 W CB -0.648 28.535 29.460 -0.461 0.000 1.138 119 W HN -0.057 nan 8.180 nan 0.000 0.515 120 R N 0.072 120.490 120.500 -0.137 0.000 2.091 120 R HA -0.153 4.187 4.340 -0.000 0.000 0.238 120 R C 1.929 178.128 176.300 -0.168 0.000 1.136 120 R CA 2.156 58.166 56.100 -0.150 0.000 0.959 120 R CB -0.636 29.575 30.300 -0.147 0.000 0.856 120 R HN 0.047 nan 8.270 nan 0.000 0.437 121 T N 1.205 115.636 114.554 -0.204 0.000 2.777 121 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 121 T C 1.832 176.396 174.700 -0.226 0.000 1.040 121 T CA 1.232 63.221 62.100 -0.184 0.000 1.141 121 T CB -0.044 68.733 68.868 -0.153 0.000 0.868 121 T HN 0.150 nan 8.240 nan 0.000 0.444 122 M N 1.751 121.152 119.600 -0.333 0.000 2.082 122 M HA -0.134 4.346 4.480 -0.000 0.000 0.258 122 M C 1.834 178.036 176.300 -0.164 0.000 1.069 122 M CA 1.604 56.743 55.300 -0.267 0.000 1.102 122 M CB -1.156 31.248 32.600 -0.326 0.000 1.336 122 M HN 0.187 nan 8.290 nan 0.000 0.404 123 D N 0.271 120.586 120.400 -0.141 0.000 2.149 123 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 123 D C 1.630 177.875 176.300 -0.090 0.000 0.972 123 D CA 0.964 54.901 54.000 -0.106 0.000 0.835 123 D CB -0.291 40.453 40.800 -0.093 0.000 0.966 123 D HN 0.300 nan 8.370 nan 0.000 0.476 124 D N 0.267 120.612 120.400 -0.092 0.000 2.097 124 D HA -0.102 4.538 4.640 -0.000 0.000 0.195 124 D C 2.201 178.498 176.300 -0.005 0.000 0.989 124 D CA 0.776 54.744 54.000 -0.053 0.000 0.827 124 D CB -0.211 40.556 40.800 -0.055 0.000 0.966 124 D HN 0.229 nan 8.370 nan 0.000 0.456 125 M N 0.142 119.714 119.600 -0.045 0.000 2.117 125 M HA -0.043 4.437 4.480 -0.000 0.000 0.262 125 M C 2.331 178.688 176.300 0.093 0.000 1.065 125 M CA 1.628 56.922 55.300 -0.010 0.000 1.114 125 M CB -0.447 31.891 32.600 -0.437 0.000 1.361 125 M HN 0.028 nan 8.290 nan 0.000 0.408 126 G N 0.093 108.884 108.800 -0.016 0.000 2.450 126 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.220 126 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.220 126 G C 1.613 176.516 174.900 0.006 0.000 1.130 126 G CA 0.692 45.786 45.100 -0.010 0.000 0.760 126 G HN 0.399 nan 8.290 nan 0.000 0.557 127 R N 0.019 120.519 120.500 -0.000 0.000 2.241 127 R HA -0.012 4.328 4.340 -0.000 0.000 0.224 127 R C 1.586 177.892 176.300 0.011 0.000 1.101 127 R CA 0.866 56.958 56.100 -0.014 0.000 0.995 127 R CB 0.079 30.365 30.300 -0.023 0.000 0.870 127 R HN 0.264 nan 8.270 nan 0.000 0.463 128 E N 0.071 120.315 120.200 0.075 0.000 2.474 128 E HA 0.103 4.453 4.350 -0.000 0.000 0.195 128 E C -0.083 176.540 176.600 0.038 0.000 1.039 128 E CA 0.282 56.716 56.400 0.056 0.000 0.881 128 E CB 0.487 30.242 29.700 0.092 0.000 0.970 128 E HN 0.310 nan 8.360 nan 0.000 0.486 129 I N 2.627 123.237 120.570 0.066 0.000 2.354 129 I HA 0.216 4.386 4.170 -0.000 0.000 0.286 129 I C -2.426 173.689 176.117 -0.003 0.000 1.007 129 I CA -2.384 58.950 61.300 0.057 0.000 1.167 129 I CB 1.503 39.605 38.000 0.171 0.000 1.320 129 I HN -0.341 nan 8.210 nan 0.000 0.458 130 P HA 0.103 nan 4.420 nan 0.000 0.267 130 P C 0.551 177.817 177.300 -0.058 0.000 1.209 130 P CA 0.224 63.252 63.100 -0.120 0.000 0.763 130 P CB 0.889 32.464 31.700 -0.210 0.000 0.816 131 S N 2.332 118.012 115.700 -0.033 0.000 2.374 131 S HA -0.185 4.285 4.470 -0.000 0.000 0.227 131 S C 1.302 175.991 174.600 0.148 0.000 1.037 131 S CA 1.946 60.198 58.200 0.086 0.000 1.024 131 S CB -0.627 62.536 63.200 -0.061 0.000 0.861 131 S HN 0.688 nan 8.310 nan 0.000 0.456 132 D N 0.359 120.705 120.400 -0.090 0.000 2.340 132 D HA 0.271 4.911 4.640 -0.000 0.000 0.220 132 D C 0.238 176.316 176.300 -0.371 0.000 1.039 132 D CA 0.402 54.306 54.000 -0.161 0.000 0.866 132 D CB 0.070 40.710 40.800 -0.267 0.000 0.913 132 D HN 0.282 nan 8.370 nan 0.000 0.523 133 A N 1.082 123.520 122.820 -0.636 0.000 3.208 133 A HA 0.336 4.656 4.320 -0.000 0.000 0.252 133 A C -2.178 174.630 177.584 -1.294 0.000 1.225 133 A CA -0.755 50.421 52.037 -1.435 0.000 0.980 133 A CB 0.804 19.249 19.000 -0.925 0.000 1.414 133 A HN -0.098 nan 8.150 nan 0.000 0.721 134 P HA -0.178 nan 4.420 nan 0.000 0.218 134 P C 1.300 178.391 177.300 -0.348 0.000 1.148 134 P CA 1.592 64.383 63.100 -0.514 0.000 0.822 134 P CB -0.348 31.022 31.700 -0.550 0.000 0.784 135 W N 0.899 122.123 121.300 -0.127 0.000 2.632 135 W HA 0.084 4.744 4.660 -0.000 0.000 0.248 135 W C 1.299 177.772 176.519 -0.076 0.000 1.259 135 W CA 0.411 57.703 57.345 -0.089 0.000 1.288 135 W CB -1.446 27.957 29.460 -0.094 0.000 1.136 135 W HN -0.105 nan 8.180 nan 0.000 0.640 136 K N 0.790 120.984 120.400 -0.343 0.000 2.404 136 K HA 0.302 4.622 4.320 -0.000 0.000 0.194 136 K C 0.965 177.470 176.600 -0.158 0.000 1.023 136 K CA 0.208 56.381 56.287 -0.190 0.000 1.094 136 K CB -0.009 32.339 32.500 -0.255 0.000 0.841 136 K HN 0.105 nan 8.250 nan 0.000 0.523 137 A N 2.385 125.109 122.820 -0.160 0.000 2.540 137 A HA 0.075 4.395 4.320 -0.000 0.000 0.239 137 A C -1.628 175.828 177.584 -0.213 0.000 1.061 137 A CA -0.953 50.986 52.037 -0.164 0.000 0.758 137 A CB 0.085 19.008 19.000 -0.129 0.000 0.991 137 A HN -0.013 nan 8.150 nan 0.000 0.502 138 P HA -0.144 nan 4.420 nan 0.000 0.216 138 P C 0.514 177.622 177.300 -0.320 0.000 1.150 138 P CA 1.283 64.245 63.100 -0.231 0.000 0.843 138 P CB 0.039 31.614 31.700 -0.209 0.000 0.787 139 L N -2.267 118.607 121.223 -0.580 0.000 2.984 139 L HA 0.356 4.696 4.340 -0.000 0.000 0.246 139 L C 1.844 178.331 176.870 -0.638 0.000 1.268 139 L CA -0.299 54.105 54.840 -0.726 0.000 1.054 139 L CB -0.497 40.854 42.059 -1.179 0.000 1.393 139 L HN -0.103 nan 8.230 nan 0.000 0.532 140 A N 0.496 123.117 122.820 -0.333 0.000 1.892 140 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 140 A C 2.208 179.791 177.584 -0.002 0.000 1.188 140 A CA 1.753 53.728 52.037 -0.104 0.000 0.631 140 A CB -0.153 18.833 19.000 -0.022 0.000 0.822 140 A HN 0.503 nan 8.150 nan 0.000 0.447 141 E N -0.960 119.223 120.200 -0.029 0.000 2.047 141 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 141 E C 2.145 178.781 176.600 0.060 0.000 0.987 141 E CA 1.202 57.618 56.400 0.026 0.000 0.799 141 E CB -0.238 29.464 29.700 0.003 0.000 0.752 141 E HN 0.842 nan 8.360 nan 0.000 0.449 142 E N 0.162 120.372 120.200 0.016 0.000 2.058 142 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 142 E C 1.752 178.523 176.600 0.285 0.000 0.997 142 E CA 1.197 57.656 56.400 0.098 0.000 0.801 142 E CB -0.023 29.700 29.700 0.038 0.000 0.746 142 E HN 0.264 nan 8.360 nan 0.000 0.450 143 W N 0.996 122.339 121.300 0.071 0.000 2.436 143 W HA -0.020 4.640 4.660 -0.000 0.000 0.284 143 W C 1.902 178.491 176.519 0.117 0.000 1.225 143 W CA 0.731 58.131 57.345 0.091 0.000 1.271 143 W CB -0.946 28.569 29.460 0.092 0.000 1.114 143 W HN 0.234 nan 8.180 nan 0.000 0.559 144 D N -0.380 120.217 120.400 0.327 0.000 2.277 144 D HA -0.115 4.525 4.640 -0.000 0.000 0.208 144 D C 1.264 177.690 176.300 0.210 0.000 0.962 144 D CA 0.904 55.061 54.000 0.263 0.000 0.865 144 D CB -0.194 40.736 40.800 0.216 0.000 0.939 144 D HN -0.112 nan 8.370 nan 0.000 0.510 145 N N -0.503 118.306 118.700 0.182 0.000 2.322 145 N HA 0.114 4.854 4.740 -0.000 0.000 0.194 145 N C -0.202 175.387 175.510 0.131 0.000 1.126 145 N CA 0.157 53.290 53.050 0.138 0.000 0.845 145 N CB 0.296 38.848 38.487 0.108 0.000 0.976 145 N HN 0.303 nan 8.380 nan 0.000 0.475 146 M N 0.049 119.743 119.600 0.156 0.000 2.456 146 M HA 0.214 4.694 4.480 -0.000 0.000 0.324 146 M C 0.094 176.470 176.300 0.127 0.000 1.124 146 M CA -0.615 54.762 55.300 0.128 0.000 0.959 146 M CB 2.052 34.732 32.600 0.134 0.000 1.692 146 M HN -0.021 nan 8.290 nan 0.000 0.444 147 T N -0.298 114.311 114.554 0.092 0.000 2.849 147 T HA 0.233 4.583 4.350 -0.000 0.000 0.284 147 T C 1.134 175.861 174.700 0.046 0.000 1.004 147 T CA -0.827 61.321 62.100 0.080 0.000 1.021 147 T CB 0.838 69.745 68.868 0.064 0.000 1.013 147 T HN 0.625 nan 8.240 nan 0.000 0.527 148 M N 0.299 119.905 119.600 0.010 0.000 2.279 148 M HA -0.005 4.475 4.480 -0.000 0.000 0.264 148 M C 2.171 178.425 176.300 -0.077 0.000 1.062 148 M CA 1.511 56.773 55.300 -0.063 0.000 1.099 148 M CB -1.313 31.159 32.600 -0.214 0.000 1.394 148 M HN 0.886 nan 8.290 nan 0.000 0.426 149 K N 0.656 121.023 120.400 -0.054 0.000 2.026 149 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 149 K C 1.700 178.277 176.600 -0.038 0.000 1.048 149 K CA 1.637 57.898 56.287 -0.043 0.000 0.929 149 K CB 0.047 32.556 32.500 0.014 0.000 0.713 149 K HN 0.368 nan 8.250 nan 0.000 0.439 150 E N 0.501 120.693 120.200 -0.014 0.000 2.051 150 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 150 E C 2.040 178.627 176.600 -0.022 0.000 0.991 150 E CA 1.202 57.595 56.400 -0.013 0.000 0.799 150 E CB -0.170 29.538 29.700 0.014 0.000 0.748 150 E HN 0.204 nan 8.360 nan 0.000 0.449 151 L N 1.188 122.401 121.223 -0.018 0.000 2.012 151 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 151 L C 2.098 178.950 176.870 -0.030 0.000 1.073 151 L CA 1.633 56.457 54.840 -0.026 0.000 0.748 151 L CB -0.403 41.633 42.059 -0.038 0.000 0.891 151 L HN 0.128 nan 8.230 nan 0.000 0.431 152 L N -0.803 120.390 121.223 -0.050 0.000 2.083 152 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 152 L C 2.229 179.034 176.870 -0.109 0.000 1.083 152 L CA 1.247 56.034 54.840 -0.090 0.000 0.752 152 L CB -0.943 41.023 42.059 -0.154 0.000 0.899 152 L HN 0.294 nan 8.230 nan 0.000 0.433 153 D N 0.368 120.708 120.400 -0.101 0.000 2.149 153 D HA -0.162 4.478 4.640 -0.000 0.000 0.198 153 D C 2.203 178.413 176.300 -0.151 0.000 0.990 153 D CA 1.220 55.145 54.000 -0.125 0.000 0.839 153 D CB 0.014 40.752 40.800 -0.103 0.000 0.948 153 D HN 0.318 nan 8.370 nan 0.000 0.460 154 K N -0.326 120.016 120.400 -0.096 0.000 2.076 154 K HA -0.031 4.289 4.320 -0.000 0.000 0.204 154 K C 1.878 178.466 176.600 -0.020 0.000 1.051 154 K CA 0.247 56.489 56.287 -0.075 0.000 0.949 154 K CB 0.038 32.531 32.500 -0.011 0.000 0.726 154 K HN 0.030 nan 8.250 nan 0.000 0.443 155 L N 0.924 122.158 121.223 0.018 0.000 2.162 155 L HA 0.029 4.369 4.340 -0.000 0.000 0.205 155 L C 0.232 177.199 176.870 0.161 0.000 1.086 155 L CA 1.147 56.053 54.840 0.111 0.000 0.778 155 L CB 0.097 42.212 42.059 0.093 0.000 0.928 155 L HN 0.061 nan 8.230 nan 0.000 0.446 156 C N -0.248 119.059 119.300 0.013 0.000 2.281 156 C HA 0.147 4.607 4.460 -0.000 0.000 0.336 156 C C 0.885 175.876 174.990 0.001 0.000 1.217 156 C CA -0.810 58.201 59.018 -0.012 0.000 1.730 156 C CB -1.175 26.454 27.740 -0.184 0.000 2.338 156 C HN 0.599 nan 8.230 nan 0.000 0.521 157 W N 1.866 123.125 121.300 -0.069 0.000 3.003 157 W HA 0.116 4.776 4.660 -0.000 0.000 0.257 157 W C 1.475 177.972 176.519 -0.035 0.000 1.308 157 W CA 0.195 57.515 57.345 -0.041 0.000 1.529 157 W CB -0.063 29.384 29.460 -0.022 0.000 1.115 157 W HN 0.674 nan 8.180 nan 0.000 0.659 158 T N -3.445 111.182 114.554 0.122 0.000 2.885 158 T HA 0.292 4.642 4.350 -0.000 0.000 0.285 158 T C 0.829 175.526 174.700 -0.005 0.000 1.019 158 T CA -0.621 61.520 62.100 0.069 0.000 1.010 158 T CB 2.555 71.485 68.868 0.103 0.000 1.022 158 T HN -0.246 nan 8.240 nan 0.000 0.466 159 E N 1.073 121.272 120.200 -0.001 0.000 2.153 159 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 159 E C 2.142 178.732 176.600 -0.016 0.000 0.988 159 E CA 1.189 57.575 56.400 -0.023 0.000 0.811 159 E CB -0.443 29.252 29.700 -0.008 0.000 0.746 159 E HN 0.739 nan 8.360 nan 0.000 0.466 160 S N 0.413 116.137 115.700 0.040 0.000 2.359 160 S HA -0.196 4.274 4.470 -0.000 0.000 0.224 160 S C 2.048 176.670 174.600 0.035 0.000 1.035 160 S CA 1.642 59.914 58.200 0.120 0.000 1.018 160 S CB -0.097 63.241 63.200 0.229 0.000 0.876 160 S HN 0.309 nan 8.310 nan 0.000 0.448 161 A N 1.218 123.933 122.820 -0.175 0.000 1.873 161 A HA -0.046 4.274 4.320 -0.000 0.000 0.215 161 A C 2.170 179.412 177.584 -0.570 0.000 1.186 161 A CA 1.779 53.396 52.037 -0.701 0.000 0.616 161 A CB -0.752 17.875 19.000 -0.622 0.000 0.823 161 A HN 0.636 nan 8.150 nan 0.000 0.442 162 K N -0.554 119.632 120.400 -0.357 0.000 2.063 162 K HA -0.233 4.087 4.320 -0.000 0.000 0.208 162 K C 2.256 178.701 176.600 -0.259 0.000 1.048 162 K CA 1.862 57.953 56.287 -0.327 0.000 0.928 162 K CB -0.188 32.190 32.500 -0.204 0.000 0.713 162 K HN 0.623 nan 8.250 nan 0.000 0.442 163 Q N 0.190 119.899 119.800 -0.152 0.000 2.079 163 Q HA -0.158 4.182 4.340 -0.000 0.000 0.200 163 Q C 2.079 178.057 176.000 -0.037 0.000 0.974 163 Q CA 1.243 57.011 55.803 -0.058 0.000 0.840 163 Q CB -0.060 28.687 28.738 0.014 0.000 0.898 163 Q HN 0.210 nan 8.270 nan 0.000 0.430 164 L N 0.389 121.572 121.223 -0.067 0.000 2.056 164 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 164 L C 2.099 178.890 176.870 -0.132 0.000 1.078 164 L CA 2.026 56.856 54.840 -0.016 0.000 0.749 164 L CB -0.856 41.222 42.059 0.032 0.000 0.901 164 L HN 0.141 nan 8.230 nan 0.000 0.433 165 A N -1.754 120.771 122.820 -0.491 0.000 1.933 165 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 165 A C 2.266 179.734 177.584 -0.194 0.000 1.175 165 A CA 2.295 53.938 52.037 -0.658 0.000 0.628 165 A CB -1.150 17.004 19.000 -1.410 0.000 0.814 165 A HN 0.499 nan 8.150 nan 0.000 0.444 166 T N 0.033 114.475 114.554 -0.186 0.000 2.777 166 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 166 T C 1.865 176.552 174.700 -0.023 0.000 1.040 166 T CA 1.334 63.366 62.100 -0.112 0.000 1.141 166 T CB -0.384 68.430 68.868 -0.089 0.000 0.868 166 T HN 0.411 nan 8.240 nan 0.000 0.444 167 L N 0.323 121.577 121.223 0.052 0.000 2.012 167 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 167 L C 2.243 179.222 176.870 0.180 0.000 1.073 167 L CA 1.594 56.511 54.840 0.128 0.000 0.748 167 L CB -0.426 41.744 42.059 0.185 0.000 0.891 167 L HN 0.211 nan 8.230 nan 0.000 0.431 168 F N -0.063 119.937 119.950 0.084 0.000 2.065 168 F HA -0.259 4.268 4.527 -0.000 0.000 0.298 168 F C 2.117 178.020 175.800 0.171 0.000 1.112 168 F CA 2.196 60.310 58.000 0.190 0.000 1.212 168 F CB -0.874 38.315 39.000 0.316 0.000 0.975 168 F HN -0.101 nan 8.300 nan 0.000 0.476 169 V N 1.136 120.942 119.914 -0.180 0.000 2.295 169 V HA -0.368 3.752 4.120 -0.000 0.000 0.246 169 V C 2.098 178.052 176.094 -0.233 0.000 1.049 169 V CA 2.467 64.486 62.300 -0.468 0.000 1.024 169 V CB -1.109 30.320 31.823 -0.656 0.000 0.648 169 V HN 0.427 nan 8.190 nan 0.000 0.447 170 N N 0.025 118.642 118.700 -0.138 0.000 2.104 170 N HA -0.215 4.525 4.740 -0.000 0.000 0.190 170 N C 1.724 177.198 175.510 -0.060 0.000 1.024 170 N CA 1.312 54.307 53.050 -0.092 0.000 0.853 170 N CB -0.205 38.270 38.487 -0.021 0.000 1.008 170 N HN 0.323 nan 8.380 nan 0.000 0.424 171 L N 0.594 121.820 121.223 0.004 0.000 2.131 171 L HA 0.035 4.375 4.340 -0.000 0.000 0.206 171 L C 2.021 178.952 176.870 0.101 0.000 1.087 171 L CA 1.305 56.177 54.840 0.052 0.000 0.767 171 L CB -0.502 41.590 42.059 0.054 0.000 0.917 171 L HN 0.215 nan 8.230 nan 0.000 0.441 172 C N -1.357 117.975 119.300 0.054 0.000 2.446 172 C HA -0.024 4.436 4.460 -0.000 0.000 0.277 172 C C 2.206 177.310 174.990 0.189 0.000 1.275 172 C CA 1.051 60.152 59.018 0.138 0.000 1.727 172 C CB -0.462 27.276 27.740 -0.003 0.000 2.010 172 C HN 0.555 nan 8.230 nan 0.000 0.486 173 V N -2.105 117.825 119.914 0.027 0.000 3.276 173 V HA 0.298 4.418 4.120 -0.000 0.000 0.319 173 V C 0.728 176.698 176.094 -0.207 0.000 1.476 173 V CA 0.791 63.063 62.300 -0.047 0.000 1.097 173 V CB -1.276 30.626 31.823 0.133 0.000 0.988 173 V HN 0.517 nan 8.190 nan 0.000 0.473 174 T N -1.342 113.013 114.554 -0.331 0.000 3.760 174 T HA -0.090 4.260 4.350 -0.000 0.000 0.366 174 T C 0.152 174.689 174.700 -0.272 0.000 0.761 174 T CA 1.345 63.224 62.100 -0.367 0.000 1.887 174 T CB -2.579 65.928 68.868 -0.602 0.000 1.811 174 T HN 2.449 nan 8.240 nan 0.000 0.749 175 A N -0.259 122.389 122.820 -0.287 0.000 2.587 175 A HA 0.720 5.040 4.320 -0.000 0.000 0.293 175 A C -0.335 177.034 177.584 -0.360 0.000 1.087 175 A CA -1.064 50.725 52.037 -0.412 0.000 0.692 175 A CB 1.238 19.776 19.000 -0.771 0.000 1.291 175 A HN 0.351 nan 8.150 nan 0.000 0.407 176 E N 0.592 120.538 120.200 -0.424 0.000 2.373 176 E HA 0.203 4.553 4.350 -0.000 0.000 0.263 176 E C 1.279 177.577 176.600 -0.504 0.000 1.073 176 E CA 0.582 56.701 56.400 -0.469 0.000 0.894 176 E CB 0.768 30.011 29.700 -0.762 0.000 1.008 176 E HN 0.810 nan 8.360 nan 0.000 0.420 177 T N -1.218 113.114 114.554 -0.371 0.000 2.833 177 T HA -0.210 4.140 4.350 -0.000 0.000 0.269 177 T C 1.451 176.027 174.700 -0.208 0.000 1.054 177 T CA 1.699 63.632 62.100 -0.279 0.000 1.135 177 T CB -0.394 68.358 68.868 -0.193 0.000 0.869 177 T HN 0.631 nan 8.240 nan 0.000 0.466 178 H N 0.563 119.567 119.070 -0.111 0.000 2.555 178 H HA 0.253 4.809 4.556 -0.000 0.000 0.269 178 H C 1.500 176.792 175.328 -0.061 0.000 0.988 178 H CA 0.808 56.811 56.048 -0.075 0.000 1.178 178 H CB -0.198 29.521 29.762 -0.071 0.000 1.373 178 H HN 0.504 nan 8.280 nan 0.000 0.588 179 E N 1.343 121.339 120.200 -0.341 0.000 2.230 179 E HA 0.037 4.387 4.350 -0.000 0.000 0.192 179 E C 0.766 177.315 176.600 -0.085 0.000 0.987 179 E CA 0.514 56.788 56.400 -0.209 0.000 0.841 179 E CB 0.741 30.170 29.700 -0.451 0.000 0.783 179 E HN 0.367 nan 8.360 nan 0.000 0.481 180 V N -0.976 118.883 119.914 -0.091 0.000 2.581 180 V HA 0.413 4.533 4.120 -0.000 0.000 0.303 180 V C -0.025 176.198 176.094 0.214 0.000 1.041 180 V CA -1.212 61.144 62.300 0.092 0.000 0.907 180 V CB 1.835 33.749 31.823 0.152 0.000 0.994 180 V HN -0.024 nan 8.190 nan 0.000 0.442 181 S N 3.457 119.360 115.700 0.339 0.000 2.537 181 S HA 0.418 4.888 4.470 -0.000 0.000 0.286 181 S C 1.489 176.330 174.600 0.402 0.000 1.299 181 S CA 0.193 58.605 58.200 0.354 0.000 1.067 181 S CB 0.894 64.341 63.200 0.411 0.000 0.864 181 S HN 1.801 nan 8.310 nan 0.000 0.494 182 A N 4.966 127.954 122.820 0.280 0.000 1.908 182 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 182 A C 2.034 179.793 177.584 0.291 0.000 1.181 182 A CA 1.755 53.932 52.037 0.233 0.000 0.627 182 A CB -0.941 18.125 19.000 0.109 0.000 0.818 182 A HN 1.006 nan 8.150 nan 0.000 0.445 183 L N -1.534 119.907 121.223 0.363 0.000 2.017 183 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 183 L C 2.231 179.334 176.870 0.388 0.000 1.073 183 L CA 2.542 57.626 54.840 0.406 0.000 0.745 183 L CB -0.776 41.525 42.059 0.404 0.000 0.894 183 L HN 0.650 nan 8.230 nan 0.000 0.432 184 W N -0.507 120.957 121.300 0.273 0.000 2.358 184 W HA -0.294 4.366 4.660 -0.000 0.000 0.303 184 W C 2.325 179.106 176.519 0.437 0.000 1.208 184 W CA 2.003 59.530 57.345 0.303 0.000 1.274 184 W CB -0.649 28.971 29.460 0.267 0.000 1.138 184 W HN 0.298 nan 8.180 nan 0.000 0.515 185 F N 0.663 120.671 119.950 0.097 0.000 2.146 185 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 185 F C 2.062 177.779 175.800 -0.138 0.000 1.096 185 F CA 2.086 59.958 58.000 -0.214 0.000 1.275 185 F CB -0.624 38.375 39.000 -0.002 0.000 1.008 185 F HN -0.176 nan 8.300 nan 0.000 0.480 186 L N -1.378 119.858 121.223 0.022 0.000 2.093 186 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 186 L C 2.267 179.076 176.870 -0.103 0.000 1.085 186 L CA 1.505 56.307 54.840 -0.063 0.000 0.755 186 L CB -1.036 41.014 42.059 -0.014 0.000 0.904 186 L HN 0.419 nan 8.230 nan 0.000 0.435 187 W N 0.180 121.363 121.300 -0.194 0.000 2.335 187 W HA -0.322 4.338 4.660 -0.000 0.000 0.311 187 W C 2.645 178.961 176.519 -0.338 0.000 1.213 187 W CA 1.625 58.836 57.345 -0.222 0.000 1.274 187 W CB -0.655 28.704 29.460 -0.169 0.000 1.148 187 W HN 0.107 nan 8.180 nan 0.000 0.498 188 Y N 0.569 120.416 120.300 -0.754 0.000 2.128 188 Y HA -0.305 4.245 4.550 -0.000 0.000 0.284 188 Y C 2.374 177.733 175.900 -0.901 0.000 1.154 188 Y CA 2.992 60.451 58.100 -1.069 0.000 1.149 188 Y CB -0.808 36.975 38.460 -1.128 0.000 0.976 188 Y HN -0.132 nan 8.280 nan 0.000 0.505 189 V N 0.841 120.346 119.914 -0.681 0.000 2.307 189 V HA -0.269 3.851 4.120 -0.000 0.000 0.245 189 V C 2.503 178.283 176.094 -0.523 0.000 1.045 189 V CA 2.162 64.143 62.300 -0.530 0.000 1.024 189 V CB -0.669 30.943 31.823 -0.352 0.000 0.651 189 V HN 0.312 nan 8.190 nan 0.000 0.449 190 K N 1.148 121.262 120.400 -0.477 0.000 2.063 190 K HA -0.269 4.051 4.320 -0.000 0.000 0.208 190 K C 2.154 178.434 176.600 -0.533 0.000 1.048 190 K CA 2.369 58.412 56.287 -0.408 0.000 0.928 190 K CB -0.200 32.129 32.500 -0.285 0.000 0.713 190 K HN 0.715 nan 8.250 nan 0.000 0.442 191 Q N -0.680 118.656 119.800 -0.773 0.000 2.488 191 Q HA -0.017 4.323 4.340 -0.000 0.000 0.211 191 Q C 1.524 177.035 176.000 -0.814 0.000 0.967 191 Q CA 1.108 56.453 55.803 -0.764 0.000 0.926 191 Q CB -0.511 27.602 28.738 -1.041 0.000 0.992 191 Q HN 0.173 nan 8.270 nan 0.000 0.506 192 C N 0.066 118.737 119.300 -1.049 0.000 2.697 192 C HA 0.594 5.054 4.460 -0.000 0.000 0.267 192 C C 1.552 175.827 174.990 -1.193 0.000 1.278 192 C CA 0.174 58.188 59.018 -1.674 0.000 1.708 192 C CB -0.904 25.789 27.740 -1.744 0.000 1.860 192 C HN 0.832 nan 8.230 nan 0.000 0.589 193 G N 0.029 108.446 108.800 -0.640 0.000 2.159 193 G HA2 0.301 4.261 3.960 -0.000 0.000 0.227 193 G HA3 0.301 4.261 3.960 -0.000 0.000 0.227 193 G C 0.462 175.198 174.900 -0.274 0.000 0.986 193 G CA 0.009 44.894 45.100 -0.359 0.000 0.651 193 G HN 1.635 nan 8.290 nan 0.000 0.523 194 G N -2.003 106.614 108.800 -0.305 0.000 2.592 194 G HA2 0.313 4.273 3.960 -0.000 0.000 0.684 194 G HA3 0.313 4.273 3.960 -0.000 0.000 0.684 194 G C 1.018 175.849 174.900 -0.115 0.000 1.291 194 G CA 0.981 45.970 45.100 -0.185 0.000 0.891 194 G HN 1.832 nan 8.290 nan 0.000 0.544 195 T N -3.019 111.519 114.554 -0.028 0.000 2.737 195 T HA -0.078 4.272 4.350 -0.000 0.000 0.265 195 T C 2.365 177.006 174.700 -0.098 0.000 1.038 195 T CA 2.871 64.989 62.100 0.029 0.000 1.144 195 T CB -0.829 68.119 68.868 0.134 0.000 0.866 195 T HN 0.950 nan 8.240 nan 0.000 0.434 196 T N 1.407 115.923 114.554 -0.063 0.000 2.684 196 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 196 T C 2.143 176.745 174.700 -0.164 0.000 1.036 196 T CA 1.592 63.590 62.100 -0.169 0.000 1.148 196 T CB -0.330 68.528 68.868 -0.015 0.000 0.863 196 T HN 0.283 nan 8.240 nan 0.000 0.436 197 R N 0.834 121.277 120.500 -0.094 0.000 2.081 197 R HA 0.137 4.477 4.340 -0.000 0.000 0.235 197 R C 2.212 178.518 176.300 0.010 0.000 1.131 197 R CA 1.153 57.229 56.100 -0.040 0.000 0.960 197 R CB -0.823 29.447 30.300 -0.050 0.000 0.856 197 R HN 0.454 nan 8.270 nan 0.000 0.436 198 I N 0.365 120.906 120.570 -0.047 0.000 2.439 198 I HA -0.154 4.016 4.170 -0.000 0.000 0.251 198 I C 1.634 177.810 176.117 0.099 0.000 1.139 198 I CA 1.163 62.491 61.300 0.047 0.000 1.438 198 I CB 0.093 38.102 38.000 0.015 0.000 1.085 198 I HN 0.326 nan 8.210 nan 0.000 0.427 199 I N -2.975 117.584 120.570 -0.019 0.000 3.783 199 I HA 0.153 4.323 4.170 -0.000 0.000 0.310 199 I C 0.718 176.755 176.117 -0.133 0.000 1.274 199 I CA -0.077 61.174 61.300 -0.082 0.000 1.294 199 I CB -0.000 37.835 38.000 -0.274 0.000 1.051 199 I HN -0.105 nan 8.210 nan 0.000 0.435 200 S N 1.287 116.904 115.700 -0.138 0.000 2.562 200 S HA 0.299 4.769 4.470 -0.000 0.000 0.275 200 S C 0.871 175.427 174.600 -0.074 0.000 1.281 200 S CA -0.347 57.774 58.200 -0.131 0.000 1.045 200 S CB 1.806 64.924 63.200 -0.136 0.000 0.962 200 S HN 0.280 nan 8.310 nan 0.000 0.503 201 T N 2.213 116.723 114.554 -0.073 0.000 2.896 201 T HA 0.034 4.384 4.350 -0.000 0.000 0.238 201 T C 0.568 175.226 174.700 -0.071 0.000 1.045 201 T CA 0.627 62.680 62.100 -0.079 0.000 1.248 201 T CB -0.326 68.496 68.868 -0.077 0.000 0.955 201 T HN 0.608 nan 8.240 nan 0.000 0.416 202 T N 3.598 118.116 114.554 -0.061 0.000 2.831 202 T HA 0.094 4.444 4.350 -0.000 0.000 0.291 202 T C 0.695 175.366 174.700 -0.049 0.000 0.981 202 T CA 0.432 62.503 62.100 -0.049 0.000 1.174 202 T CB -0.179 68.666 68.868 -0.038 0.000 0.929 202 T HN 0.524 nan 8.240 nan 0.000 0.532 203 N N 0.777 119.451 118.700 -0.043 0.000 2.782 203 N HA -0.148 4.592 4.740 -0.000 0.000 0.251 203 N C 0.159 175.651 175.510 -0.029 0.000 1.101 203 N CA 1.440 54.469 53.050 -0.034 0.000 0.764 203 N CB -1.056 37.416 38.487 -0.026 0.000 1.122 203 N HN 0.952 nan 8.380 nan 0.000 0.561 204 G N -3.106 105.670 108.800 -0.039 0.000 3.021 204 G HA2 0.567 4.526 3.960 -0.000 0.000 0.290 204 G HA3 0.567 4.526 3.960 -0.000 0.000 0.290 204 G C 0.985 175.861 174.900 -0.041 0.000 1.291 204 G CA -0.018 45.077 45.100 -0.008 0.000 0.834 204 G HN 0.296 nan 8.290 nan 0.000 0.564 205 G N -0.845 107.968 108.800 0.021 0.000 2.462 205 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.220 205 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.220 205 G C 1.186 176.023 174.900 -0.106 0.000 1.121 205 G CA 1.026 46.053 45.100 -0.122 0.000 0.758 205 G HN 0.411 nan 8.290 nan 0.000 0.559 206 Q N -0.342 119.403 119.800 -0.092 0.000 2.201 206 Q HA 0.283 4.623 4.340 -0.000 0.000 0.217 206 Q C 1.638 177.560 176.000 -0.130 0.000 0.860 206 Q CA -0.122 55.572 55.803 -0.181 0.000 0.984 206 Q CB 0.697 29.227 28.738 -0.346 0.000 1.095 206 Q HN 0.624 nan 8.270 nan 0.000 0.477 207 E N 0.578 120.714 120.200 -0.107 0.000 2.077 207 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 207 E C -0.022 176.514 176.600 -0.107 0.000 0.989 207 E CA 0.860 57.201 56.400 -0.099 0.000 0.800 207 E CB 0.420 30.059 29.700 -0.102 0.000 0.746 207 E HN 0.178 nan 8.360 nan 0.000 0.452 208 R N -0.918 119.497 120.500 -0.143 0.000 2.836 208 R HA 0.469 4.809 4.340 -0.000 0.000 0.269 208 R C -1.033 175.054 176.300 -0.356 0.000 1.010 208 R CA -0.739 55.198 56.100 -0.272 0.000 0.930 208 R CB 1.994 32.108 30.300 -0.309 0.000 1.218 208 R HN -0.176 nan 8.270 nan 0.000 0.473 209 K N 0.580 120.598 120.400 -0.638 0.000 2.444 209 K HA 0.431 4.751 4.320 -0.000 0.000 0.252 209 K C -1.149 175.093 176.600 -0.596 0.000 0.993 209 K CA -0.707 55.194 56.287 -0.644 0.000 0.847 209 K CB 1.595 33.749 32.500 -0.576 0.000 1.340 209 K HN 0.245 nan 8.250 nan 0.000 0.446 210 F N 1.199 121.066 119.950 -0.137 0.000 2.427 210 F HA 0.128 4.655 4.527 -0.000 0.000 0.352 210 F C 0.507 176.360 175.800 0.089 0.000 1.100 210 F CA -0.918 57.059 58.000 -0.038 0.000 1.191 210 F CB 0.876 39.837 39.000 -0.065 0.000 1.128 210 F HN 0.023 nan 8.300 nan 0.000 0.533 211 V N 3.976 124.101 119.914 0.353 0.000 2.509 211 V HA 0.151 4.271 4.120 -0.000 0.000 0.297 211 V C 1.001 177.009 176.094 -0.144 0.000 1.014 211 V CA 1.332 63.761 62.300 0.214 0.000 1.127 211 V CB -0.073 31.852 31.823 0.170 0.000 0.925 211 V HN 1.126 nan 8.190 nan 0.000 0.480 212 G N 3.229 111.567 108.800 -0.770 0.000 2.176 212 G HA2 0.148 4.108 3.960 -0.000 0.000 0.253 212 G HA3 0.148 4.108 3.960 -0.000 0.000 0.253 212 G C 0.793 175.180 174.900 -0.855 0.000 0.979 212 G CA -0.043 44.302 45.100 -1.258 0.000 0.641 212 G HN 2.478 nan 8.290 nan 0.000 0.530 213 G N -1.513 107.070 108.800 -0.361 0.000 2.697 213 G HA2 0.366 4.326 3.960 -0.000 0.000 0.686 213 G HA3 0.366 4.326 3.960 -0.000 0.000 0.686 213 G C 0.787 175.699 174.900 0.019 0.000 1.179 213 G CA 0.830 45.910 45.100 -0.035 0.000 0.765 213 G HN 1.881 nan 8.290 nan 0.000 0.649 214 S N 0.061 115.828 115.700 0.111 0.000 2.489 214 S HA 0.159 4.629 4.470 -0.000 0.000 0.228 214 S C 2.503 177.097 174.600 -0.010 0.000 0.995 214 S CA 1.538 59.805 58.200 0.111 0.000 0.934 214 S CB 0.082 63.412 63.200 0.217 0.000 0.771 214 S HN 2.156 nan 8.310 nan 0.000 0.522 215 G N 1.410 110.216 108.800 0.010 0.000 2.479 215 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.220 215 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.220 215 G C 1.429 176.304 174.900 -0.042 0.000 1.115 215 G CA 0.596 45.704 45.100 0.014 0.000 0.757 215 G HN 0.633 nan 8.290 nan 0.000 0.560 216 Q N -0.239 119.501 119.800 -0.100 0.000 2.291 216 Q HA -0.043 4.297 4.340 -0.000 0.000 0.206 216 Q C 2.711 178.618 176.000 -0.155 0.000 0.976 216 Q CA 0.868 56.592 55.803 -0.132 0.000 0.875 216 Q CB -0.126 28.507 28.738 -0.174 0.000 0.927 216 Q HN 0.438 nan 8.270 nan 0.000 0.450 217 V N 0.102 119.899 119.914 -0.194 0.000 2.261 217 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 217 V C 2.130 178.163 176.094 -0.102 0.000 1.047 217 V CA 2.089 64.276 62.300 -0.190 0.000 1.015 217 V CB -0.565 31.133 31.823 -0.208 0.000 0.642 217 V HN 0.283 nan 8.190 nan 0.000 0.446 218 S N -0.662 115.002 115.700 -0.060 0.000 2.368 218 S HA -0.186 4.284 4.470 -0.000 0.000 0.224 218 S C 1.927 176.507 174.600 -0.032 0.000 1.029 218 S CA 1.475 59.657 58.200 -0.029 0.000 0.988 218 S CB -0.254 62.950 63.200 0.007 0.000 0.838 218 S HN 0.692 nan 8.310 nan 0.000 0.462 219 E N 0.948 121.128 120.200 -0.033 0.000 2.077 219 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 219 E C 2.326 178.897 176.600 -0.048 0.000 0.989 219 E CA 0.896 57.276 56.400 -0.032 0.000 0.800 219 E CB -0.080 29.602 29.700 -0.030 0.000 0.746 219 E HN 0.342 nan 8.360 nan 0.000 0.452 220 R N 0.190 120.651 120.500 -0.066 0.000 2.115 220 R HA -0.000 4.340 4.340 -0.000 0.000 0.226 220 R C 2.318 178.578 176.300 -0.067 0.000 1.100 220 R CA 0.739 56.797 56.100 -0.069 0.000 0.980 220 R CB -0.112 30.137 30.300 -0.085 0.000 0.875 220 R HN 0.207 nan 8.270 nan 0.000 0.445 221 I N 0.628 121.157 120.570 -0.068 0.000 2.252 221 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 221 I C 2.642 178.712 176.117 -0.078 0.000 1.102 221 I CA 1.104 62.362 61.300 -0.071 0.000 1.385 221 I CB -0.167 37.796 38.000 -0.061 0.000 1.064 221 I HN 0.207 nan 8.210 nan 0.000 0.414 222 M N 0.885 120.448 119.600 -0.062 0.000 2.108 222 M HA -0.265 4.215 4.480 -0.000 0.000 0.261 222 M C 1.671 177.933 176.300 -0.063 0.000 1.066 222 M CA 2.007 57.272 55.300 -0.059 0.000 1.107 222 M CB -0.235 32.342 32.600 -0.039 0.000 1.356 222 M HN 0.154 nan 8.290 nan 0.000 0.406 223 D N 0.692 121.059 120.400 -0.056 0.000 2.123 223 D HA -0.170 4.470 4.640 -0.000 0.000 0.196 223 D C 2.038 178.299 176.300 -0.064 0.000 0.992 223 D CA 1.467 55.436 54.000 -0.051 0.000 0.833 223 D CB -0.516 40.257 40.800 -0.045 0.000 0.954 223 D HN 0.430 nan 8.370 nan 0.000 0.455 224 L N 0.066 121.240 121.223 -0.082 0.000 2.046 224 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 224 L C 2.473 179.234 176.870 -0.182 0.000 1.077 224 L CA 0.740 55.516 54.840 -0.108 0.000 0.747 224 L CB -0.305 41.688 42.059 -0.110 0.000 0.896 224 L HN 0.026 nan 8.230 nan 0.000 0.432 225 L N -0.982 120.119 121.223 -0.203 0.000 2.395 225 L HA 0.073 4.413 4.340 -0.000 0.000 0.218 225 L C 1.636 178.425 176.870 -0.135 0.000 1.130 225 L CA 0.453 55.141 54.840 -0.254 0.000 0.826 225 L CB -0.857 41.079 42.059 -0.205 0.000 0.941 225 L HN 0.474 nan 8.230 nan 0.000 0.451 226 G N 1.807 110.555 108.800 -0.087 0.000 2.574 226 G HA2 -0.451 3.509 3.960 -0.000 0.000 0.286 226 G HA3 -0.451 3.509 3.960 -0.000 0.000 0.286 226 G C 0.408 175.288 174.900 -0.033 0.000 1.212 226 G CA 0.509 45.582 45.100 -0.046 0.000 0.979 226 G HN 0.528 nan 8.290 nan 0.000 0.557 227 D N 0.697 121.089 120.400 -0.014 0.000 2.392 227 D HA 0.040 4.680 4.640 -0.000 0.000 0.228 227 D C 2.024 178.326 176.300 0.003 0.000 1.003 227 D CA 0.964 54.964 54.000 -0.001 0.000 0.917 227 D CB -0.279 40.528 40.800 0.012 0.000 0.890 227 D HN 0.634 nan 8.370 nan 0.000 0.532 228 R N -0.120 120.373 120.500 -0.012 0.000 2.189 228 R HA 0.082 4.422 4.340 -0.000 0.000 0.218 228 R C 0.168 176.448 176.300 -0.034 0.000 1.074 228 R CA 0.323 56.417 56.100 -0.011 0.000 0.991 228 R CB 0.193 30.481 30.300 -0.021 0.000 0.883 228 R HN 0.123 nan 8.270 nan 0.000 0.457 229 V N 2.980 122.869 119.914 -0.042 0.000 2.406 229 V HA 0.116 4.236 4.120 -0.000 0.000 0.272 229 V C -0.053 176.016 176.094 -0.042 0.000 1.043 229 V CA -0.389 61.881 62.300 -0.051 0.000 0.915 229 V CB 1.291 33.085 31.823 -0.049 0.000 0.988 229 V HN 0.049 nan 8.190 nan 0.000 0.466 230 K N 6.495 126.857 120.400 -0.064 0.000 2.316 230 K HA 0.545 4.865 4.320 -0.000 0.000 0.267 230 K C -0.740 175.825 176.600 -0.058 0.000 1.025 230 K CA -0.341 55.917 56.287 -0.048 0.000 0.896 230 K CB 1.969 34.433 32.500 -0.059 0.000 1.124 230 K HN 0.500 nan 8.250 nan 0.000 0.451 231 L N 1.683 122.883 121.223 -0.039 0.000 2.399 231 L HA 0.177 4.517 4.340 -0.000 0.000 0.266 231 L C 0.705 177.547 176.870 -0.048 0.000 1.114 231 L CA -0.193 54.620 54.840 -0.046 0.000 0.804 231 L CB 0.309 42.351 42.059 -0.029 0.000 1.146 231 L HN 0.704 nan 8.230 nan 0.000 0.451 232 E N 0.750 120.908 120.200 -0.070 0.000 2.389 232 E HA -0.229 4.121 4.350 -0.000 0.000 0.243 232 E C -0.474 176.082 176.600 -0.072 0.000 1.154 232 E CA 0.289 56.644 56.400 -0.075 0.000 0.723 232 E CB -0.809 28.865 29.700 -0.044 0.000 1.261 232 E HN 0.382 nan 8.360 nan 0.000 0.390 233 R N 0.191 120.635 120.500 -0.094 0.000 2.724 233 R HA 0.242 4.582 4.340 -0.000 0.000 0.284 233 R C -2.701 173.533 176.300 -0.110 0.000 1.481 233 R CA -1.938 54.118 56.100 -0.073 0.000 1.652 233 R CB 0.585 30.847 30.300 -0.063 0.000 1.175 233 R HN -0.012 nan 8.270 nan 0.000 0.613 234 P HA -0.004 nan 4.420 nan 0.000 0.267 234 P C -0.309 176.973 177.300 -0.029 0.000 1.209 234 P CA -0.108 62.907 63.100 -0.142 0.000 0.763 234 P CB 0.878 32.510 31.700 -0.114 0.000 0.816 235 V N 5.584 125.487 119.914 -0.019 0.000 2.555 235 V HA 0.052 4.172 4.120 -0.000 0.000 0.286 235 V C 1.707 177.835 176.094 0.057 0.000 1.044 235 V CA 0.435 62.745 62.300 0.017 0.000 1.026 235 V CB 0.330 32.148 31.823 -0.009 0.000 0.981 235 V HN 0.536 nan 8.190 nan 0.000 0.480 236 I N 1.876 122.497 120.570 0.085 0.000 4.323 236 I HA 0.448 4.618 4.170 -0.000 0.000 0.328 236 I C 0.018 176.239 176.117 0.173 0.000 1.310 236 I CA 0.148 61.526 61.300 0.130 0.000 1.186 236 I CB 0.606 38.672 38.000 0.110 0.000 1.130 236 I HN 0.492 nan 8.210 nan 0.000 0.411 237 Y N 1.830 122.092 120.300 -0.064 0.000 2.436 237 Y HA 0.684 5.234 4.550 -0.000 0.000 0.327 237 Y C -1.870 173.957 175.900 -0.122 0.000 1.138 237 Y CA -1.614 56.425 58.100 -0.101 0.000 1.042 237 Y CB 1.627 40.059 38.460 -0.048 0.000 1.302 237 Y HN -0.019 nan 8.280 nan 0.000 0.439 238 I N 5.835 126.007 120.570 -0.664 0.000 2.447 238 I HA 0.298 4.468 4.170 -0.000 0.000 0.287 238 I C -1.329 174.407 176.117 -0.635 0.000 1.023 238 I CA -0.703 60.280 61.300 -0.528 0.000 1.083 238 I CB 1.827 39.657 38.000 -0.283 0.000 1.245 238 I HN 0.522 nan 8.210 nan 0.000 0.434 239 D N 6.109 126.193 120.400 -0.527 0.000 2.425 239 D HA 0.268 4.908 4.640 -0.000 0.000 0.240 239 D C -0.241 175.989 176.300 -0.118 0.000 1.080 239 D CA -0.177 53.617 54.000 -0.344 0.000 0.836 239 D CB 1.679 42.310 40.800 -0.283 0.000 1.125 239 D HN 0.517 nan 8.370 nan 0.000 0.525 240 Q N 1.732 121.503 119.800 -0.048 0.000 2.172 240 Q HA 0.069 4.409 4.340 -0.000 0.000 0.217 240 Q C 1.270 177.269 176.000 -0.002 0.000 0.832 240 Q CA -0.001 55.794 55.803 -0.014 0.000 1.010 240 Q CB 0.847 29.593 28.738 0.013 0.000 1.133 240 Q HN 0.575 nan 8.270 nan 0.000 0.489 241 T N -2.398 112.159 114.554 0.004 0.000 2.985 241 T HA 0.066 4.416 4.350 -0.000 0.000 0.266 241 T C 1.052 175.757 174.700 0.008 0.000 1.076 241 T CA 0.410 62.520 62.100 0.016 0.000 1.135 241 T CB 0.303 69.190 68.868 0.032 0.000 0.890 241 T HN 0.057 nan 8.240 nan 0.000 0.480 242 R N 0.262 120.763 120.500 0.001 0.000 2.810 242 R HA 0.445 4.785 4.340 -0.000 0.000 0.245 242 R C 1.580 177.869 176.300 -0.017 0.000 1.168 242 R CA -0.696 55.402 56.100 -0.003 0.000 1.096 242 R CB 0.690 30.991 30.300 0.002 0.000 1.259 242 R HN 0.133 nan 8.270 nan 0.000 0.518 243 E N 0.728 120.917 120.200 -0.019 0.000 2.065 243 E HA -0.199 4.151 4.350 -0.000 0.000 0.201 243 E C -0.297 176.271 176.600 -0.053 0.000 1.016 243 E CA 1.363 57.744 56.400 -0.032 0.000 0.818 243 E CB 0.127 29.812 29.700 -0.025 0.000 0.749 243 E HN 0.296 nan 8.360 nan 0.000 0.453 244 N N 0.122 118.795 118.700 -0.045 0.000 2.417 244 N HA 0.176 4.916 4.740 -0.000 0.000 0.300 244 N C -0.942 174.541 175.510 -0.045 0.000 1.102 244 N CA -0.365 52.651 53.050 -0.057 0.000 0.886 244 N CB 2.081 40.545 38.487 -0.038 0.000 1.203 244 N HN -0.142 nan 8.380 nan 0.000 0.496 245 V N 2.220 122.101 119.914 -0.056 0.000 2.572 245 V HA 0.149 4.269 4.120 -0.000 0.000 0.291 245 V C 0.510 176.595 176.094 -0.015 0.000 1.039 245 V CA -0.218 62.059 62.300 -0.038 0.000 1.055 245 V CB 0.141 31.944 31.823 -0.033 0.000 0.969 245 V HN 0.376 nan 8.190 nan 0.000 0.482 246 L N 5.591 126.799 121.223 -0.025 0.000 2.296 246 L HA 0.589 4.929 4.340 -0.000 0.000 0.286 246 L C -0.581 176.278 176.870 -0.019 0.000 1.023 246 L CA -0.456 54.385 54.840 0.002 0.000 0.812 246 L CB 1.820 43.891 42.059 0.021 0.000 1.223 246 L HN 0.389 nan 8.230 nan 0.000 0.421 247 V N 2.811 122.760 119.914 0.059 0.000 2.444 247 V HA 0.384 4.504 4.120 -0.000 0.000 0.294 247 V C -0.309 175.890 176.094 0.176 0.000 1.022 247 V CA -0.650 61.691 62.300 0.068 0.000 0.850 247 V CB 1.757 33.618 31.823 0.064 0.000 0.992 247 V HN 0.737 nan 8.190 nan 0.000 0.426 248 E N 2.998 123.305 120.200 0.177 0.000 2.195 248 E HA 0.666 5.016 4.350 -0.000 0.000 0.271 248 E C -0.308 176.400 176.600 0.180 0.000 0.923 248 E CA -0.477 56.054 56.400 0.219 0.000 0.790 248 E CB 1.939 31.798 29.700 0.265 0.000 1.155 248 E HN 0.832 nan 8.360 nan 0.000 0.402 249 T N 1.078 115.740 114.554 0.180 0.000 2.936 249 T HA 0.192 4.542 4.350 -0.000 0.000 0.282 249 T C 1.016 175.770 174.700 0.090 0.000 1.003 249 T CA -0.849 61.321 62.100 0.118 0.000 1.005 249 T CB 1.046 69.985 68.868 0.117 0.000 1.097 249 T HN 0.442 nan 8.240 nan 0.000 0.532 250 L N 1.599 122.847 121.223 0.042 0.000 2.079 250 L HA -0.045 4.295 4.340 -0.000 0.000 0.210 250 L C 1.862 178.654 176.870 -0.131 0.000 1.081 250 L CA 2.067 56.913 54.840 0.009 0.000 0.752 250 L CB -1.366 40.701 42.059 0.013 0.000 0.896 250 L HN 0.910 nan 8.230 nan 0.000 0.433 251 N N -2.463 116.148 118.700 -0.150 0.000 2.501 251 N HA -0.083 4.657 4.740 -0.000 0.000 0.195 251 N C 0.203 175.523 175.510 -0.315 0.000 1.213 251 N CA 0.667 53.534 53.050 -0.306 0.000 0.864 251 N CB -0.491 37.911 38.487 -0.143 0.000 0.999 251 N HN 0.607 nan 8.380 nan 0.000 0.454 252 H N -2.867 116.216 119.070 0.022 0.000 3.642 252 H HA -0.174 4.382 4.556 -0.000 0.000 0.185 252 H C -0.678 174.655 175.328 0.008 0.000 0.992 252 H CA 0.621 56.674 56.048 0.008 0.000 1.216 252 H CB -1.602 28.153 29.762 -0.012 0.000 1.055 252 H HN 0.476 nan 8.280 nan 0.000 0.351 253 E N 1.926 122.187 120.200 0.102 0.000 2.437 253 E HA 0.145 4.495 4.350 -0.000 0.000 0.263 253 E C 0.331 176.939 176.600 0.013 0.000 1.030 253 E CA 0.339 56.751 56.400 0.020 0.000 0.934 253 E CB 0.490 30.229 29.700 0.065 0.000 0.943 253 E HN 0.141 nan 8.360 nan 0.000 0.444 254 M N 2.629 122.117 119.600 -0.187 0.000 2.321 254 M HA 0.340 4.820 4.480 -0.000 0.000 0.315 254 M C -1.277 174.813 176.300 -0.350 0.000 1.052 254 M CA -0.587 54.646 55.300 -0.111 0.000 0.936 254 M CB 1.081 33.649 32.600 -0.053 0.000 1.639 254 M HN 0.434 nan 8.290 nan 0.000 0.433 255 Y N 0.290 120.604 120.300 0.023 0.000 2.409 255 Y HA 0.468 5.018 4.550 -0.000 0.000 0.343 255 Y C -0.083 175.820 175.900 0.006 0.000 0.973 255 Y CA -0.654 57.453 58.100 0.012 0.000 1.064 255 Y CB 1.919 40.384 38.460 0.010 0.000 1.207 255 Y HN 0.593 nan 8.280 nan 0.000 0.452 256 E N 1.848 122.121 120.200 0.122 0.000 2.187 256 E HA 0.839 5.189 4.350 -0.000 0.000 0.268 256 E C -1.301 175.335 176.600 0.060 0.000 0.896 256 E CA -0.691 55.747 56.400 0.063 0.000 0.766 256 E CB 1.440 31.154 29.700 0.023 0.000 1.142 256 E HN 0.752 nan 8.360 nan 0.000 0.408 257 A N 3.129 125.967 122.820 0.030 0.000 2.594 257 A HA 0.371 4.691 4.320 -0.000 0.000 0.291 257 A C -0.034 177.516 177.584 -0.056 0.000 1.105 257 A CA -0.647 51.399 52.037 0.015 0.000 0.694 257 A CB 1.407 20.434 19.000 0.046 0.000 1.291 257 A HN 0.646 nan 8.150 nan 0.000 0.410 258 K N -0.787 119.557 120.400 -0.092 0.000 2.116 258 K HA 0.113 4.433 4.320 -0.000 0.000 0.203 258 K C -0.654 175.574 176.600 -0.621 0.000 1.052 258 K CA 1.437 57.524 56.287 -0.334 0.000 0.952 258 K CB -0.051 32.279 32.500 -0.283 0.000 0.729 258 K HN 0.606 nan 8.250 nan 0.000 0.446 259 Y N -1.091 119.229 120.300 0.033 0.000 2.615 259 Y HA 0.413 4.963 4.550 -0.000 0.000 0.341 259 Y C -0.622 175.303 175.900 0.041 0.000 1.089 259 Y CA -1.329 56.807 58.100 0.059 0.000 1.049 259 Y CB 1.873 40.358 38.460 0.042 0.000 1.296 259 Y HN -0.418 nan 8.280 nan 0.000 0.470 260 V N 3.010 123.064 119.914 0.233 0.000 2.735 260 V HA 0.481 4.601 4.120 -0.000 0.000 0.310 260 V C -0.684 175.460 176.094 0.083 0.000 1.061 260 V CA -0.878 61.486 62.300 0.107 0.000 0.913 260 V CB 2.203 34.055 31.823 0.049 0.000 1.005 260 V HN 0.547 nan 8.190 nan 0.000 0.428 261 I N 2.713 123.301 120.570 0.029 0.000 2.362 261 I HA 0.342 4.512 4.170 -0.000 0.000 0.289 261 I C 0.214 176.318 176.117 -0.020 0.000 0.994 261 I CA -0.193 61.104 61.300 -0.005 0.000 1.158 261 I CB 1.905 39.909 38.000 0.008 0.000 1.315 261 I HN 0.605 nan 8.210 nan 0.000 0.451 262 S N 5.375 121.031 115.700 -0.073 0.000 2.411 262 S HA 0.515 4.985 4.470 -0.000 0.000 0.294 262 S C 0.411 175.091 174.600 0.132 0.000 1.115 262 S CA -0.447 57.782 58.200 0.049 0.000 1.071 262 S CB 0.559 63.827 63.200 0.114 0.000 0.967 262 S HN 0.716 nan 8.310 nan 0.000 0.488 263 A N 5.937 128.825 122.820 0.113 0.000 2.965 263 A HA 0.475 4.795 4.320 -0.000 0.000 0.304 263 A C 0.277 177.939 177.584 0.130 0.000 1.214 263 A CA -0.688 51.422 52.037 0.121 0.000 0.977 263 A CB -0.567 18.480 19.000 0.078 0.000 1.127 263 A HN 0.913 nan 8.150 nan 0.000 0.572 264 I N -4.061 116.604 120.570 0.160 0.000 2.797 264 I HA 0.686 4.856 4.170 -0.000 0.000 0.307 264 I C -2.899 173.313 176.117 0.158 0.000 1.033 264 I CA -3.113 58.278 61.300 0.151 0.000 1.071 264 I CB 1.508 39.600 38.000 0.153 0.000 1.255 264 I HN -0.155 nan 8.210 nan 0.000 0.445 265 P HA 0.088 nan 4.420 nan 0.000 0.263 265 P C -2.165 175.188 177.300 0.087 0.000 1.175 265 P CA -0.522 62.644 63.100 0.109 0.000 0.761 265 P CB -0.067 31.683 31.700 0.084 0.000 0.794 266 P HA -0.229 nan 4.420 nan 0.000 0.216 266 P C 1.614 178.896 177.300 -0.030 0.000 1.157 266 P CA 1.893 64.996 63.100 0.005 0.000 0.880 266 P CB -0.264 31.407 31.700 -0.048 0.000 0.791 267 T N -1.375 113.135 114.554 -0.072 0.000 2.915 267 T HA -0.062 4.288 4.350 -0.000 0.000 0.269 267 T C 1.531 176.220 174.700 -0.019 0.000 1.071 267 T CA 0.719 62.767 62.100 -0.088 0.000 1.132 267 T CB -0.821 67.958 68.868 -0.149 0.000 0.878 267 T HN -0.042 nan 8.240 nan 0.000 0.479 268 L N 0.386 121.627 121.223 0.030 0.000 2.456 268 L HA 0.117 4.457 4.340 -0.000 0.000 0.224 268 L C 2.833 179.776 176.870 0.122 0.000 1.148 268 L CA 0.744 55.630 54.840 0.077 0.000 0.825 268 L CB -0.791 41.338 42.059 0.116 0.000 0.937 268 L HN 0.354 nan 8.230 nan 0.000 0.450 269 G N -0.051 108.833 108.800 0.140 0.000 2.479 269 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.220 269 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.220 269 G C 1.606 176.645 174.900 0.232 0.000 1.115 269 G CA 0.309 45.550 45.100 0.235 0.000 0.757 269 G HN 0.151 nan 8.290 nan 0.000 0.560 270 M N 0.412 120.076 119.600 0.107 0.000 2.279 270 M HA -0.011 4.469 4.480 -0.000 0.000 0.264 270 M C 2.129 178.448 176.300 0.032 0.000 1.062 270 M CA 1.022 56.355 55.300 0.055 0.000 1.099 270 M CB -0.528 32.065 32.600 -0.011 0.000 1.394 270 M HN 0.244 nan 8.290 nan 0.000 0.426 271 K N 0.016 120.457 120.400 0.068 0.000 2.555 271 K HA 0.119 4.439 4.320 -0.000 0.000 0.193 271 K C 0.364 177.022 176.600 0.097 0.000 1.032 271 K CA 0.454 56.791 56.287 0.083 0.000 1.004 271 K CB 0.081 32.661 32.500 0.133 0.000 0.804 271 K HN 0.328 nan 8.250 nan 0.000 0.496 272 I N 1.229 121.821 120.570 0.038 0.000 2.404 272 I HA 0.122 4.292 4.170 -0.000 0.000 0.293 272 I C 0.102 176.092 176.117 -0.212 0.000 0.992 272 I CA -0.737 60.498 61.300 -0.109 0.000 1.149 272 I CB 1.350 39.135 38.000 -0.357 0.000 1.315 272 I HN 0.045 nan 8.210 nan 0.000 0.446 273 H N 6.181 125.161 119.070 -0.148 0.000 2.562 273 H HA 0.329 4.885 4.556 -0.000 0.000 0.314 273 H C -1.078 174.179 175.328 -0.118 0.000 1.079 273 H CA -0.205 55.852 56.048 0.015 0.000 1.349 273 H CB 1.072 30.922 29.762 0.147 0.000 1.432 273 H HN 0.322 nan 8.280 nan 0.000 0.479 274 F N 1.976 122.036 119.950 0.184 0.000 2.443 274 F HA 0.169 4.696 4.527 -0.000 0.000 0.335 274 F C 0.600 176.450 175.800 0.084 0.000 1.104 274 F CA -0.700 57.341 58.000 0.068 0.000 1.013 274 F CB 1.363 40.386 39.000 0.040 0.000 1.136 274 F HN 0.479 nan 8.300 nan 0.000 0.470 275 N N 4.262 123.056 118.700 0.157 0.000 2.480 275 N HA 0.412 5.152 4.740 -0.000 0.000 0.289 275 N C -3.044 172.513 175.510 0.079 0.000 1.073 275 N CA -2.286 50.844 53.050 0.134 0.000 0.885 275 N CB 2.130 40.721 38.487 0.175 0.000 1.421 275 N HN 0.063 nan 8.380 nan 0.000 0.503 276 P HA 0.322 nan 4.420 nan 0.000 0.274 276 P C -2.640 174.735 177.300 0.126 0.000 1.256 276 P CA -1.021 62.136 63.100 0.097 0.000 0.795 276 P CB -0.374 31.362 31.700 0.060 0.000 1.038 277 P HA 0.056 nan 4.420 nan 0.000 0.267 277 P C 0.132 177.445 177.300 0.022 0.000 1.201 277 P CA 0.336 63.496 63.100 0.100 0.000 0.775 277 P CB 0.154 31.895 31.700 0.067 0.000 0.854 278 L N 3.723 124.908 121.223 -0.062 0.000 2.499 278 L HA 0.097 4.437 4.340 -0.000 0.000 0.281 278 L C -1.607 175.208 176.870 -0.091 0.000 1.234 278 L CA -1.464 53.271 54.840 -0.176 0.000 0.839 278 L CB -0.681 41.186 42.059 -0.320 0.000 1.104 278 L HN 0.314 nan 8.230 nan 0.000 0.500 279 P HA -0.057 nan 4.420 nan 0.000 0.268 279 P C 0.626 177.892 177.300 -0.056 0.000 1.208 279 P CA -0.222 62.844 63.100 -0.058 0.000 0.777 279 P CB 0.454 32.120 31.700 -0.058 0.000 0.875 280 M N 1.764 121.344 119.600 -0.034 0.000 2.082 280 M HA -0.211 4.269 4.480 -0.000 0.000 0.258 280 M C 1.190 177.492 176.300 0.003 0.000 1.069 280 M CA 2.290 57.580 55.300 -0.017 0.000 1.102 280 M CB -0.404 32.189 32.600 -0.011 0.000 1.336 280 M HN 0.160 nan 8.290 nan 0.000 0.404 281 M N -0.085 119.512 119.600 -0.006 0.000 2.086 281 M HA -0.163 4.317 4.480 -0.000 0.000 0.261 281 M C 2.330 178.668 176.300 0.064 0.000 1.067 281 M CA 1.862 57.192 55.300 0.049 0.000 1.116 281 M CB -1.521 31.054 32.600 -0.042 0.000 1.348 281 M HN 0.432 nan 8.290 nan 0.000 0.407 282 R N 0.342 120.811 120.500 -0.052 0.000 2.075 282 R HA -0.179 4.161 4.340 -0.000 0.000 0.232 282 R C 2.018 178.235 176.300 -0.138 0.000 1.126 282 R CA 1.851 57.873 56.100 -0.131 0.000 0.963 282 R CB -0.266 29.905 30.300 -0.216 0.000 0.858 282 R HN 0.350 nan 8.270 nan 0.000 0.435 283 N N 0.338 118.971 118.700 -0.111 0.000 2.060 283 N HA -0.236 4.504 4.740 -0.000 0.000 0.195 283 N C 1.614 177.063 175.510 -0.103 0.000 1.028 283 N CA 2.017 55.008 53.050 -0.098 0.000 0.861 283 N CB 0.014 38.464 38.487 -0.061 0.000 1.029 283 N HN 0.371 nan 8.380 nan 0.000 0.428 284 Q N -1.140 118.609 119.800 -0.085 0.000 2.163 284 Q HA -0.038 4.302 4.340 -0.000 0.000 0.198 284 Q C 1.981 177.746 176.000 -0.391 0.000 0.954 284 Q CA 0.572 56.275 55.803 -0.167 0.000 0.851 284 Q CB -0.109 28.602 28.738 -0.046 0.000 0.928 284 Q HN 0.491 nan 8.270 nan 0.000 0.459 285 M N 1.675 121.051 119.600 -0.373 0.000 2.106 285 M HA -0.181 4.299 4.480 -0.000 0.000 0.259 285 M C 2.009 178.081 176.300 -0.381 0.000 1.068 285 M CA 1.688 56.704 55.300 -0.473 0.000 1.100 285 M CB -0.495 32.002 32.600 -0.173 0.000 1.351 285 M HN 0.314 nan 8.290 nan 0.000 0.404 286 I N -1.587 118.823 120.570 -0.267 0.000 3.334 286 I HA -0.072 4.098 4.170 -0.000 0.000 0.282 286 I C 1.419 177.406 176.117 -0.217 0.000 1.313 286 I CA 1.383 62.553 61.300 -0.218 0.000 1.396 286 I CB -0.965 36.952 38.000 -0.140 0.000 1.054 286 I HN 0.318 nan 8.210 nan 0.000 0.495 287 T N -2.527 111.876 114.554 -0.251 0.000 3.069 287 T HA 0.299 4.649 4.350 -0.000 0.000 0.252 287 T C 1.427 175.954 174.700 -0.288 0.000 1.053 287 T CA -0.244 61.719 62.100 -0.229 0.000 0.964 287 T CB -0.033 68.725 68.868 -0.184 0.000 1.005 287 T HN 0.423 nan 8.240 nan 0.000 0.532 288 R N 0.873 121.142 120.500 -0.385 0.000 2.508 288 R HA 0.320 4.660 4.340 -0.000 0.000 0.300 288 R C -0.114 175.862 176.300 -0.541 0.000 0.970 288 R CA 0.002 55.843 56.100 -0.431 0.000 1.102 288 R CB 1.416 31.404 30.300 -0.519 0.000 1.246 288 R HN 0.428 nan 8.270 nan 0.000 0.539 289 V N -0.635 118.938 119.914 -0.569 0.000 2.383 289 V HA 0.484 4.604 4.120 -0.000 0.000 0.261 289 V C -2.685 173.036 176.094 -0.622 0.000 0.987 289 V CA -2.331 59.514 62.300 -0.758 0.000 0.853 289 V CB 0.708 32.030 31.823 -0.836 0.000 1.095 289 V HN -0.112 nan 8.190 nan 0.000 0.461 290 P HA 0.520 nan 4.420 nan 0.000 0.276 290 P C -0.665 176.293 177.300 -0.570 0.000 1.261 290 P CA -0.377 62.374 63.100 -0.581 0.000 0.800 290 P CB 1.813 33.160 31.700 -0.589 0.000 1.066 291 L N 0.111 121.182 121.223 -0.254 0.000 2.352 291 L HA 0.586 4.926 4.340 -0.000 0.000 0.269 291 L C 1.476 178.389 176.870 0.072 0.000 1.034 291 L CA -0.227 54.565 54.840 -0.081 0.000 0.806 291 L CB 0.506 42.552 42.059 -0.021 0.000 1.244 291 L HN 0.471 nan 8.230 nan 0.000 0.447 292 G N -0.083 108.791 108.800 0.124 0.000 2.631 292 G HA2 0.403 4.363 3.960 -0.000 0.000 0.271 292 G HA3 0.403 4.363 3.960 -0.000 0.000 0.271 292 G C -0.749 174.147 174.900 -0.007 0.000 1.302 292 G CA -0.368 44.769 45.100 0.062 0.000 1.002 292 G HN 0.500 nan 8.290 nan 0.000 0.519 293 S N -1.383 114.285 115.700 -0.053 0.000 2.519 293 S HA 0.585 5.055 4.470 -0.000 0.000 0.309 293 S C -0.992 173.584 174.600 -0.041 0.000 1.100 293 S CA -0.512 57.681 58.200 -0.012 0.000 1.059 293 S CB 1.685 64.891 63.200 0.011 0.000 1.008 293 S HN 0.798 nan 8.310 nan 0.000 0.478 294 V N 4.763 124.701 119.914 0.040 0.000 2.969 294 V HA 0.580 4.700 4.120 -0.000 0.000 0.304 294 V C -1.934 174.309 176.094 0.248 0.000 1.192 294 V CA -0.781 61.576 62.300 0.094 0.000 0.962 294 V CB 1.808 33.610 31.823 -0.035 0.000 1.045 294 V HN 0.878 nan 8.190 nan 0.000 0.428 295 I N 5.179 125.908 120.570 0.265 0.000 2.362 295 I HA 0.517 4.687 4.170 -0.000 0.000 0.289 295 I C -0.202 176.157 176.117 0.404 0.000 0.994 295 I CA -0.600 60.879 61.300 0.299 0.000 1.158 295 I CB 1.689 39.807 38.000 0.197 0.000 1.315 295 I HN 0.514 nan 8.210 nan 0.000 0.451 296 K N 5.812 126.492 120.400 0.467 0.000 2.227 296 K HA 0.569 4.889 4.320 -0.000 0.000 0.280 296 K C -1.427 175.317 176.600 0.238 0.000 1.041 296 K CA -0.293 56.265 56.287 0.452 0.000 0.905 296 K CB 0.862 33.700 32.500 0.563 0.000 1.068 296 K HN 0.695 nan 8.250 nan 0.000 0.470 297 C N 5.429 124.831 119.300 0.171 0.000 2.441 297 C HA 0.560 5.020 4.460 -0.000 0.000 0.318 297 C C -0.845 174.207 174.990 0.104 0.000 1.222 297 C CA -1.081 58.021 59.018 0.140 0.000 1.474 297 C CB 0.026 27.951 27.740 0.308 0.000 2.125 297 C HN 0.734 nan 8.230 nan 0.000 0.479 298 I N 3.194 123.779 120.570 0.025 0.000 2.410 298 I HA 0.425 4.595 4.170 -0.000 0.000 0.286 298 I C -0.261 175.872 176.117 0.027 0.000 1.009 298 I CA -0.134 61.142 61.300 -0.041 0.000 1.111 298 I CB 1.438 39.364 38.000 -0.124 0.000 1.262 298 I HN 0.355 nan 8.210 nan 0.000 0.443 299 V N 6.644 126.574 119.914 0.027 0.000 2.394 299 V HA 0.379 4.499 4.120 -0.000 0.000 0.282 299 V C -0.637 175.292 176.094 -0.274 0.000 1.031 299 V CA -0.710 61.616 62.300 0.043 0.000 0.881 299 V CB 0.838 32.735 31.823 0.123 0.000 0.982 299 V HN 0.407 nan 8.190 nan 0.000 0.451 300 Y N 3.972 124.227 120.300 -0.075 0.000 2.361 300 Y HA 0.669 5.219 4.550 0.000 0.000 0.332 300 Y C -0.293 175.480 175.900 -0.212 0.000 1.101 300 Y CA -0.375 57.728 58.100 0.005 0.000 1.137 300 Y CB 1.433 39.990 38.460 0.162 0.000 1.207 300 Y HN 0.535 nan 8.280 nan 0.000 0.463 301 Y N 0.082 120.629 120.300 0.411 0.000 2.576 301 Y HA 0.291 4.841 4.550 -0.000 0.000 0.346 301 Y C 1.100 177.141 175.900 0.234 0.000 1.018 301 Y CA -1.403 56.908 58.100 0.351 0.000 1.050 301 Y CB 1.927 40.686 38.460 0.499 0.000 1.280 301 Y HN 0.502 nan 8.280 nan 0.000 0.474 302 K N 0.430 121.037 120.400 0.346 0.000 2.063 302 K HA -0.107 4.213 4.320 -0.000 0.000 0.208 302 K C -0.524 176.143 176.600 0.113 0.000 1.048 302 K CA 1.747 58.137 56.287 0.171 0.000 0.928 302 K CB 0.193 32.767 32.500 0.124 0.000 0.713 302 K HN 0.723 nan 8.250 nan 0.000 0.442 303 E N -1.211 119.070 120.200 0.136 0.000 2.408 303 E HA 0.204 4.554 4.350 -0.000 0.000 0.275 303 E C -2.675 173.790 176.600 -0.224 0.000 0.935 303 E CA -2.225 54.161 56.400 -0.022 0.000 0.775 303 E CB 2.175 31.854 29.700 -0.036 0.000 1.277 303 E HN -0.091 nan 8.360 nan 0.000 0.455 304 P HA 0.048 nan 4.420 nan 0.000 0.230 304 P C 0.192 176.570 177.300 -1.537 0.000 1.791 304 P CA -0.078 62.106 63.100 -1.527 0.000 1.020 304 P CB -0.875 30.223 31.700 -1.003 0.000 1.977 305 F N 0.008 119.411 119.950 -0.912 0.000 2.250 305 F HA -0.147 4.380 4.527 -0.000 0.000 0.301 305 F C 1.752 177.384 175.800 -0.281 0.000 1.077 305 F CA 0.109 57.855 58.000 -0.423 0.000 1.348 305 F CB -1.810 37.065 39.000 -0.209 0.000 1.040 305 F HN 0.131 nan 8.300 nan 0.000 0.509 306 W N 1.392 122.371 121.300 -0.534 0.000 2.350 306 W HA -0.016 4.644 4.660 0.000 0.000 0.289 306 W C 2.067 178.534 176.519 -0.087 0.000 1.215 306 W CA 1.006 58.224 57.345 -0.212 0.000 1.236 306 W CB -1.177 28.093 29.460 -0.317 0.000 1.130 306 W HN -0.128 nan 8.180 nan 0.000 0.541 307 R N 1.216 121.523 120.500 -0.321 0.000 2.127 307 R HA -0.107 4.233 4.340 -0.000 0.000 0.238 307 R C 2.006 178.229 176.300 -0.128 0.000 1.134 307 R CA 1.834 57.836 56.100 -0.163 0.000 0.975 307 R CB -0.453 29.695 30.300 -0.254 0.000 0.865 307 R HN 0.318 nan 8.270 nan 0.000 0.447 308 K N 0.601 120.919 120.400 -0.138 0.000 2.211 308 K HA -0.093 4.227 4.320 -0.000 0.000 0.203 308 K C 1.412 177.941 176.600 -0.118 0.000 1.050 308 K CA 0.959 57.187 56.287 -0.100 0.000 0.945 308 K CB 0.077 32.537 32.500 -0.067 0.000 0.732 308 K HN 0.095 nan 8.250 nan 0.000 0.451 309 K N 0.872 121.169 120.400 -0.172 0.000 2.437 309 K HA -0.034 4.286 4.320 -0.000 0.000 0.198 309 K C -0.500 175.773 176.600 -0.546 0.000 1.024 309 K CA 0.129 56.196 56.287 -0.367 0.000 1.148 309 K CB 0.287 32.499 32.500 -0.480 0.000 0.860 309 K HN 0.021 nan 8.250 nan 0.000 0.515 310 D N 0.050 120.284 120.400 -0.276 0.000 2.800 310 D HA -0.217 4.423 4.640 -0.000 0.000 0.232 310 D C -1.340 174.932 176.300 -0.046 0.000 1.137 310 D CA 0.871 54.781 54.000 -0.150 0.000 0.718 310 D CB -1.420 39.311 40.800 -0.115 0.000 1.084 310 D HN 0.342 nan 8.370 nan 0.000 0.432 311 Y N -0.818 119.520 120.300 0.064 0.000 2.360 311 Y HA 0.320 4.870 4.550 -0.000 0.000 0.337 311 Y C 2.097 178.072 175.900 0.124 0.000 1.039 311 Y CA -0.950 57.189 58.100 0.065 0.000 1.109 311 Y CB 1.230 39.740 38.460 0.082 0.000 1.201 311 Y HN 0.257 nan 8.280 nan 0.000 0.458 312 C N -1.065 118.352 119.300 0.194 0.000 2.495 312 C HA 0.440 4.900 4.460 -0.000 0.000 0.275 312 C C 1.722 176.757 174.990 0.076 0.000 1.392 312 C CA 0.575 59.679 59.018 0.144 0.000 1.766 312 C CB -0.844 26.908 27.740 0.020 0.000 1.933 312 C HN 1.219 nan 8.230 nan 0.000 0.519 313 G N -0.271 108.408 108.800 -0.201 0.000 2.211 313 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.201 313 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.201 313 G C 0.028 174.588 174.900 -0.567 0.000 0.997 313 G CA 0.167 44.842 45.100 -0.709 0.000 0.652 313 G HN 0.551 nan 8.290 nan 0.000 0.500 314 T N 2.366 116.688 114.554 -0.386 0.000 2.779 314 T HA 0.617 4.967 4.350 -0.000 0.000 0.296 314 T C 0.308 174.803 174.700 -0.341 0.000 0.938 314 T CA 0.605 62.461 62.100 -0.407 0.000 1.119 314 T CB 0.796 69.484 68.868 -0.300 0.000 0.891 314 T HN 0.289 nan 8.240 nan 0.000 0.526 315 M N 4.023 123.406 119.600 -0.361 0.000 2.259 315 M HA 0.486 4.966 4.480 -0.000 0.000 0.304 315 M C -0.918 175.381 176.300 -0.002 0.000 1.019 315 M CA -0.606 54.601 55.300 -0.155 0.000 0.922 315 M CB 2.154 34.639 32.600 -0.191 0.000 1.600 315 M HN 0.411 nan 8.290 nan 0.000 0.433 316 I N 4.658 125.373 120.570 0.241 0.000 2.328 316 I HA 0.421 4.591 4.170 -0.000 0.000 0.287 316 I C -0.811 175.573 176.117 0.443 0.000 1.012 316 I CA -0.176 61.366 61.300 0.405 0.000 1.195 316 I CB 0.871 39.120 38.000 0.415 0.000 1.350 316 I HN 0.591 nan 8.210 nan 0.000 0.464 317 I N 5.354 126.144 120.570 0.367 0.000 2.390 317 I HA 0.276 4.446 4.170 -0.000 0.000 0.283 317 I C -0.243 176.057 176.117 0.305 0.000 1.016 317 I CA -0.536 60.962 61.300 0.329 0.000 1.151 317 I CB 1.021 39.153 38.000 0.220 0.000 1.293 317 I HN 0.452 nan 8.210 nan 0.000 0.458 318 D N 4.764 125.352 120.400 0.313 0.000 2.304 318 D HA 0.564 5.204 4.640 -0.000 0.000 0.247 318 D C 0.285 176.699 176.300 0.191 0.000 1.089 318 D CA 0.794 54.939 54.000 0.242 0.000 0.910 318 D CB 1.855 42.783 40.800 0.214 0.000 1.199 318 D HN 0.812 nan 8.370 nan 0.000 0.426 319 G N 2.177 111.068 108.800 0.152 0.000 2.576 319 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.686 319 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.686 319 G C 0.518 175.491 174.900 0.122 0.000 1.242 319 G CA 0.012 45.186 45.100 0.125 0.000 0.819 319 G HN 0.425 nan 8.290 nan 0.000 0.655 320 E N 0.294 120.559 120.200 0.110 0.000 2.110 320 E HA -0.066 4.284 4.350 -0.000 0.000 0.193 320 E C 2.189 178.849 176.600 0.099 0.000 0.988 320 E CA 2.537 59.010 56.400 0.122 0.000 0.804 320 E CB -0.025 29.743 29.700 0.114 0.000 0.745 320 E HN 0.688 nan 8.360 nan 0.000 0.458 321 E N 0.511 120.762 120.200 0.084 0.000 2.150 321 E HA 0.042 4.392 4.350 -0.000 0.000 0.193 321 E C 0.546 177.179 176.600 0.054 0.000 0.985 321 E CA 0.920 57.359 56.400 0.065 0.000 0.814 321 E CB -0.423 29.315 29.700 0.062 0.000 0.752 321 E HN 0.279 nan 8.360 nan 0.000 0.466 322 A N 2.712 125.575 122.820 0.072 0.000 2.491 322 A HA 0.138 4.458 4.320 -0.000 0.000 0.261 322 A C -1.358 176.253 177.584 0.046 0.000 1.101 322 A CA -1.103 50.969 52.037 0.060 0.000 0.772 322 A CB 0.119 19.177 19.000 0.097 0.000 1.043 322 A HN 0.015 nan 8.150 nan 0.000 0.501 323 P HA -0.044 nan 4.420 nan 0.000 0.218 323 P C 0.210 177.544 177.300 0.057 0.000 1.149 323 P CA 1.004 64.111 63.100 0.012 0.000 0.817 323 P CB 0.083 31.771 31.700 -0.020 0.000 0.785 324 V N -0.001 119.967 119.914 0.089 0.000 2.448 324 V HA 0.488 4.608 4.120 -0.000 0.000 0.295 324 V C 1.085 177.300 176.094 0.201 0.000 1.025 324 V CA -0.160 62.241 62.300 0.169 0.000 0.859 324 V CB 1.435 33.386 31.823 0.212 0.000 0.988 324 V HN -0.036 nan 8.190 nan 0.000 0.431 325 A N 4.354 127.324 122.820 0.250 0.000 2.169 325 A HA 0.345 4.665 4.320 -0.000 0.000 0.210 325 A C 0.123 177.936 177.584 0.381 0.000 1.168 325 A CA 0.557 52.762 52.037 0.280 0.000 0.813 325 A CB 0.199 19.351 19.000 0.254 0.000 0.861 325 A HN 0.764 nan 8.150 nan 0.000 0.481 326 Y N -0.186 120.238 120.300 0.206 0.000 2.482 326 Y HA 0.469 5.019 4.550 -0.000 0.000 0.334 326 Y C -0.450 175.491 175.900 0.068 0.000 1.091 326 Y CA -0.396 57.807 58.100 0.171 0.000 1.027 326 Y CB 1.551 40.167 38.460 0.260 0.000 1.306 326 Y HN 0.130 nan 8.280 nan 0.000 0.446 327 T N 3.738 117.967 114.554 -0.542 0.000 2.896 327 T HA 0.872 5.222 4.350 -0.000 0.000 0.297 327 T C -1.568 172.684 174.700 -0.747 0.000 1.108 327 T CA -0.834 60.936 62.100 -0.550 0.000 1.004 327 T CB 1.894 70.440 68.868 -0.536 0.000 1.159 327 T HN 0.608 nan 8.240 nan 0.000 0.499 328 L N 0.939 121.851 121.223 -0.519 0.000 2.393 328 L HA 0.495 4.835 4.340 -0.000 0.000 0.260 328 L C -0.674 175.998 176.870 -0.329 0.000 1.002 328 L CA -1.243 53.357 54.840 -0.399 0.000 0.818 328 L CB 2.215 44.117 42.059 -0.261 0.000 1.369 328 L HN 0.734 nan 8.230 nan 0.000 0.412 329 D N 1.031 121.273 120.400 -0.263 0.000 2.412 329 D HA -0.055 4.585 4.640 -0.000 0.000 0.257 329 D C -0.114 176.203 176.300 0.029 0.000 1.217 329 D CA 0.604 54.533 54.000 -0.118 0.000 0.897 329 D CB 1.051 41.898 40.800 0.078 0.000 1.132 329 D HN 0.490 nan 8.370 nan 0.000 0.493 330 D N 1.954 122.375 120.400 0.034 0.000 2.402 330 D HA 0.053 4.693 4.640 -0.000 0.000 0.216 330 D C -0.222 176.167 176.300 0.147 0.000 1.128 330 D CA -0.093 53.959 54.000 0.086 0.000 0.833 330 D CB 0.368 41.161 40.800 -0.012 0.000 0.971 330 D HN 0.241 nan 8.370 nan 0.000 0.503 331 T N 1.507 116.184 114.554 0.205 0.000 2.932 331 T HA 0.020 4.370 4.350 -0.000 0.000 0.312 331 T C 0.532 175.310 174.700 0.129 0.000 1.071 331 T CA -0.096 62.122 62.100 0.196 0.000 1.128 331 T CB 0.797 69.785 68.868 0.201 0.000 0.984 331 T HN -0.068 nan 8.240 nan 0.000 0.549 332 K N 3.662 124.102 120.400 0.066 0.000 2.319 332 K HA 0.101 4.421 4.320 -0.000 0.000 0.265 332 K C -1.436 175.059 176.600 -0.175 0.000 1.000 332 K CA -1.935 54.292 56.287 -0.100 0.000 0.943 332 K CB 0.250 32.725 32.500 -0.042 0.000 0.950 332 K HN 0.323 nan 8.250 nan 0.000 0.485 333 P HA -0.138 nan 4.420 nan 0.000 0.219 333 P C 0.366 177.597 177.300 -0.115 0.000 1.146 333 P CA 1.362 64.272 63.100 -0.317 0.000 0.808 333 P CB 0.334 31.745 31.700 -0.480 0.000 0.779 334 E N -1.058 119.092 120.200 -0.084 0.000 2.347 334 E HA 0.121 4.471 4.350 -0.000 0.000 0.196 334 E C 1.581 178.173 176.600 -0.013 0.000 1.008 334 E CA 1.036 57.422 56.400 -0.024 0.000 0.852 334 E CB -0.780 28.927 29.700 0.010 0.000 0.783 334 E HN 0.308 nan 8.360 nan 0.000 0.505 335 G N 0.657 109.452 108.800 -0.010 0.000 2.176 335 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.232 335 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.232 335 G C 0.033 174.928 174.900 -0.008 0.000 0.986 335 G CA 0.224 45.316 45.100 -0.013 0.000 0.643 335 G HN 0.358 nan 8.290 nan 0.000 0.522 336 N N -0.764 117.952 118.700 0.027 0.000 2.563 336 N HA 0.552 5.291 4.740 -0.000 0.000 0.288 336 N C 0.497 176.092 175.510 0.142 0.000 1.246 336 N CA -0.966 52.076 53.050 -0.013 0.000 0.946 336 N CB 0.064 38.471 38.487 -0.133 0.000 1.213 336 N HN 0.586 nan 8.380 nan 0.000 0.578 337 Y N -2.724 117.607 120.300 0.052 0.000 3.168 337 Y HA -0.176 4.374 4.550 -0.000 0.000 0.207 337 Y C 0.598 176.636 175.900 0.230 0.000 1.280 337 Y CA 0.291 58.474 58.100 0.138 0.000 1.235 337 Y CB -2.372 36.131 38.460 0.072 0.000 1.370 337 Y HN 0.766 nan 8.280 nan 0.000 0.537 338 A N 0.277 123.254 122.820 0.261 0.000 2.584 338 A HA 0.517 4.837 4.320 -0.000 0.000 0.239 338 A C 0.764 178.596 177.584 0.413 0.000 1.043 338 A CA 0.699 52.901 52.037 0.274 0.000 0.756 338 A CB 0.040 19.123 19.000 0.138 0.000 0.963 338 A HN 1.536 nan 8.150 nan 0.000 0.511 339 A N 2.496 125.572 122.820 0.427 0.000 2.605 339 A HA 0.624 4.944 4.320 -0.000 0.000 0.294 339 A C -1.001 176.601 177.584 0.031 0.000 1.062 339 A CA -0.555 51.568 52.037 0.142 0.000 0.682 339 A CB 0.938 19.687 19.000 -0.418 0.000 1.278 339 A HN 0.725 nan 8.150 nan 0.000 0.410 340 I N 2.392 122.871 120.570 -0.152 0.000 2.378 340 I HA 0.381 4.551 4.170 -0.000 0.000 0.291 340 I C -0.169 175.798 176.117 -0.250 0.000 0.992 340 I CA -0.398 60.672 61.300 -0.384 0.000 1.154 340 I CB 1.635 39.267 38.000 -0.613 0.000 1.315 340 I HN 0.750 nan 8.210 nan 0.000 0.448 341 M N 5.598 125.046 119.600 -0.254 0.000 2.209 341 M HA 0.614 5.094 4.480 -0.000 0.000 0.355 341 M C -0.334 175.814 176.300 -0.254 0.000 1.171 341 M CA -0.140 55.041 55.300 -0.198 0.000 1.069 341 M CB 1.158 33.667 32.600 -0.152 0.000 1.622 341 M HN 0.719 nan 8.290 nan 0.000 0.459 342 G N 4.362 113.069 108.800 -0.155 0.000 2.612 342 G HA2 0.697 4.657 3.960 -0.000 0.000 0.298 342 G HA3 0.697 4.657 3.960 -0.000 0.000 0.298 342 G C -1.981 172.870 174.900 -0.082 0.000 1.336 342 G CA -0.562 44.475 45.100 -0.105 0.000 0.953 342 G HN 0.653 nan 8.290 nan 0.000 0.482 343 F N 0.517 120.617 119.950 0.249 0.000 2.436 343 F HA 0.493 5.020 4.527 0.000 0.000 0.340 343 F C 0.519 176.432 175.800 0.189 0.000 1.113 343 F CA -0.776 57.370 58.000 0.243 0.000 1.022 343 F CB 2.210 41.382 39.000 0.286 0.000 1.128 343 F HN 0.043 nan 8.300 nan 0.000 0.466 344 I N 5.284 126.065 120.570 0.353 0.000 2.297 344 I HA 0.263 4.433 4.170 -0.000 0.000 0.291 344 I C -0.658 175.549 176.117 0.150 0.000 1.033 344 I CA -0.287 61.134 61.300 0.202 0.000 1.253 344 I CB 0.749 38.837 38.000 0.146 0.000 1.396 344 I HN 0.396 nan 8.210 nan 0.000 0.476 345 L N 6.451 127.726 121.223 0.088 0.000 2.325 345 L HA 0.704 5.044 4.340 -0.000 0.000 0.278 345 L C 0.962 177.807 176.870 -0.043 0.000 1.023 345 L CA -0.189 54.664 54.840 0.021 0.000 0.811 345 L CB 1.538 43.619 42.059 0.037 0.000 1.249 345 L HN 0.897 nan 8.230 nan 0.000 0.431 346 A N 2.081 124.867 122.820 -0.057 0.000 5.308 346 A HA -0.367 3.953 4.320 -0.000 0.000 0.321 346 A C 1.692 179.272 177.584 -0.006 0.000 1.849 346 A CA 1.555 53.566 52.037 -0.045 0.000 0.713 346 A CB -1.614 17.359 19.000 -0.046 0.000 1.360 346 A HN 1.083 nan 8.150 nan 0.000 0.384 347 H N 1.105 120.165 119.070 -0.017 0.000 2.456 347 H HA -0.009 4.547 4.556 -0.000 0.000 0.296 347 H C 1.692 177.036 175.328 0.026 0.000 1.079 347 H CA 1.815 57.870 56.048 0.011 0.000 1.322 347 H CB -0.381 29.395 29.762 0.024 0.000 1.388 347 H HN 0.740 nan 8.280 nan 0.000 0.538 348 K N 0.772 120.811 120.400 -0.602 0.000 2.148 348 K HA 0.019 4.339 4.320 -0.000 0.000 0.204 348 K C 2.585 179.119 176.600 -0.109 0.000 1.050 348 K CA 1.001 57.075 56.287 -0.354 0.000 0.942 348 K CB -0.017 32.306 32.500 -0.296 0.000 0.724 348 K HN 0.333 nan 8.250 nan 0.000 0.446 349 A N 1.502 124.289 122.820 -0.055 0.000 1.902 349 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 349 A C 2.100 179.695 177.584 0.019 0.000 1.181 349 A CA 1.414 53.459 52.037 0.014 0.000 0.623 349 A CB -0.311 18.712 19.000 0.038 0.000 0.818 349 A HN 0.124 nan 8.150 nan 0.000 0.443 350 R N -0.351 120.159 120.500 0.017 0.000 2.066 350 R HA -0.059 4.281 4.340 -0.000 0.000 0.232 350 R C 2.316 178.635 176.300 0.032 0.000 1.131 350 R CA 1.799 57.919 56.100 0.034 0.000 0.955 350 R CB -0.283 30.051 30.300 0.055 0.000 0.851 350 R HN 0.632 nan 8.270 nan 0.000 0.432 351 K N 0.396 120.811 120.400 0.025 0.000 2.025 351 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 351 K C 1.517 178.127 176.600 0.018 0.000 1.049 351 K CA 1.273 57.578 56.287 0.029 0.000 0.933 351 K CB 0.023 32.543 32.500 0.035 0.000 0.714 351 K HN 0.139 nan 8.250 nan 0.000 0.438 352 L N 0.244 121.472 121.223 0.009 0.000 2.558 352 L HA 0.119 4.459 4.340 -0.000 0.000 0.225 352 L C 2.203 179.089 176.870 0.027 0.000 1.128 352 L CA 0.232 55.081 54.840 0.015 0.000 0.868 352 L CB -0.068 41.998 42.059 0.012 0.000 1.006 352 L HN 0.202 nan 8.230 nan 0.000 0.454 353 A N 0.535 123.372 122.820 0.029 0.000 2.067 353 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 353 A C 2.352 179.950 177.584 0.024 0.000 1.158 353 A CA 1.030 53.086 52.037 0.031 0.000 0.661 353 A CB -0.347 18.671 19.000 0.029 0.000 0.801 353 A HN 0.350 nan 8.150 nan 0.000 0.452 354 R N -0.539 119.973 120.500 0.021 0.000 2.152 354 R HA 0.025 4.365 4.340 -0.000 0.000 0.232 354 R C 0.271 176.580 176.300 0.016 0.000 1.117 354 R CA 0.364 56.474 56.100 0.017 0.000 0.981 354 R CB -0.541 29.768 30.300 0.016 0.000 0.870 354 R HN 0.452 nan 8.270 nan 0.000 0.451 355 L N 0.684 121.917 121.223 0.017 0.000 2.476 355 L HA 0.081 4.421 4.340 -0.000 0.000 0.255 355 L C 1.073 177.956 176.870 0.021 0.000 1.218 355 L CA -0.392 54.457 54.840 0.015 0.000 0.819 355 L CB 0.243 42.308 42.059 0.011 0.000 1.119 355 L HN 0.132 nan 8.230 nan 0.000 0.485 356 T N -2.925 111.640 114.554 0.018 0.000 2.849 356 T HA 0.119 4.469 4.350 -0.000 0.000 0.284 356 T C 0.894 175.619 174.700 0.042 0.000 1.004 356 T CA -0.698 61.417 62.100 0.026 0.000 1.021 356 T CB 1.292 70.170 68.868 0.018 0.000 1.013 356 T HN 0.655 nan 8.240 nan 0.000 0.527 357 K N 0.391 120.833 120.400 0.069 0.000 2.044 357 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 357 K C 1.892 178.539 176.600 0.078 0.000 1.049 357 K CA 2.083 58.453 56.287 0.137 0.000 0.927 357 K CB -0.217 32.372 32.500 0.149 0.000 0.713 357 K HN 0.704 nan 8.250 nan 0.000 0.443 358 E N 0.585 120.801 120.200 0.027 0.000 2.106 358 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 358 E C 1.821 178.380 176.600 -0.068 0.000 0.984 358 E CA 1.284 57.666 56.400 -0.030 0.000 0.806 358 E CB 0.036 29.730 29.700 -0.010 0.000 0.750 358 E HN 0.396 nan 8.360 nan 0.000 0.458 359 E N 0.222 120.399 120.200 -0.039 0.000 2.072 359 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 359 E C 2.117 178.673 176.600 -0.073 0.000 0.985 359 E CA 0.706 57.079 56.400 -0.046 0.000 0.801 359 E CB -0.003 29.685 29.700 -0.020 0.000 0.750 359 E HN 0.113 nan 8.360 nan 0.000 0.452 360 R N 0.282 120.744 120.500 -0.063 0.000 2.081 360 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 360 R C 2.481 178.637 176.300 -0.240 0.000 1.131 360 R CA 0.892 56.944 56.100 -0.080 0.000 0.960 360 R CB -0.368 29.954 30.300 0.037 0.000 0.856 360 R HN 0.130 nan 8.270 nan 0.000 0.436 361 L N 1.739 122.703 121.223 -0.431 0.000 2.042 361 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 361 L C 2.170 178.829 176.870 -0.351 0.000 1.076 361 L CA 1.910 56.345 54.840 -0.675 0.000 0.749 361 L CB -0.445 41.164 42.059 -0.750 0.000 0.893 361 L HN -0.001 nan 8.230 nan 0.000 0.432 362 K N -0.535 119.732 120.400 -0.221 0.000 2.026 362 K HA -0.210 4.110 4.320 -0.000 0.000 0.208 362 K C 2.171 178.686 176.600 -0.142 0.000 1.048 362 K CA 1.707 57.909 56.287 -0.141 0.000 0.929 362 K CB -0.085 32.361 32.500 -0.091 0.000 0.713 362 K HN 0.335 nan 8.250 nan 0.000 0.439 363 K N 0.175 120.488 120.400 -0.145 0.000 2.097 363 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 363 K C 2.088 178.555 176.600 -0.222 0.000 1.049 363 K CA 1.138 57.342 56.287 -0.138 0.000 0.933 363 K CB -0.104 32.336 32.500 -0.102 0.000 0.717 363 K HN 0.054 nan 8.250 nan 0.000 0.442 364 L N 0.784 121.819 121.223 -0.314 0.000 2.027 364 L HA -0.184 4.156 4.340 -0.000 0.000 0.206 364 L C 2.470 178.917 176.870 -0.705 0.000 1.074 364 L CA 1.492 55.976 54.840 -0.593 0.000 0.745 364 L CB -0.711 41.031 42.059 -0.528 0.000 0.898 364 L HN 0.220 nan 8.230 nan 0.000 0.433 365 C N -0.657 118.448 119.300 -0.324 0.000 2.413 365 C HA -0.166 4.294 4.460 -0.000 0.000 0.276 365 C C 2.663 177.631 174.990 -0.037 0.000 1.248 365 C CA 0.638 59.618 59.018 -0.063 0.000 1.742 365 C CB -0.767 26.984 27.740 0.019 0.000 2.017 365 C HN 0.546 nan 8.230 nan 0.000 0.481 366 E N 0.194 120.341 120.200 -0.089 0.000 2.077 366 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 366 E C 2.000 178.567 176.600 -0.054 0.000 0.989 366 E CA 0.956 57.326 56.400 -0.049 0.000 0.800 366 E CB -0.265 29.405 29.700 -0.051 0.000 0.746 366 E HN 0.514 nan 8.360 nan 0.000 0.452 367 L N 0.305 121.449 121.223 -0.132 0.000 2.017 367 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 367 L C 1.969 178.847 176.870 0.014 0.000 1.073 367 L CA 1.736 56.511 54.840 -0.108 0.000 0.745 367 L CB -0.551 41.401 42.059 -0.180 0.000 0.894 367 L HN 0.206 nan 8.230 nan 0.000 0.432 368 Y N -0.908 119.382 120.300 -0.017 0.000 2.242 368 Y HA -0.186 4.364 4.550 -0.000 0.000 0.291 368 Y C 2.521 178.438 175.900 0.027 0.000 1.137 368 Y CA 0.233 58.329 58.100 -0.007 0.000 1.181 368 Y CB -0.447 38.050 38.460 0.060 0.000 0.989 368 Y HN 0.372 nan 8.280 nan 0.000 0.527 369 A N 0.646 123.579 122.820 0.189 0.000 1.908 369 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 369 A C 2.141 179.775 177.584 0.083 0.000 1.181 369 A CA 1.706 53.816 52.037 0.122 0.000 0.627 369 A CB -0.513 18.530 19.000 0.072 0.000 0.818 369 A HN 0.335 nan 8.150 nan 0.000 0.445 370 K N -0.558 119.868 120.400 0.043 0.000 1.991 370 K HA -0.108 4.212 4.320 -0.000 0.000 0.212 370 K C 1.962 178.556 176.600 -0.010 0.000 1.049 370 K CA 1.721 58.019 56.287 0.018 0.000 0.932 370 K CB -0.426 32.061 32.500 -0.022 0.000 0.717 370 K HN 0.308 nan 8.250 nan 0.000 0.441 371 V N 1.613 121.457 119.914 -0.116 0.000 2.343 371 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 371 V C 2.099 178.149 176.094 -0.073 0.000 1.051 371 V CA 1.544 63.727 62.300 -0.195 0.000 1.036 371 V CB -0.338 31.331 31.823 -0.258 0.000 0.654 371 V HN 0.281 nan 8.190 nan 0.000 0.451 372 L N 0.288 121.512 121.223 0.002 0.000 2.558 372 L HA 0.308 4.648 4.340 -0.000 0.000 0.225 372 L C 1.625 178.650 176.870 0.259 0.000 1.128 372 L CA 0.742 55.636 54.840 0.089 0.000 0.868 372 L CB -0.571 41.620 42.059 0.221 0.000 1.006 372 L HN 0.537 nan 8.230 nan 0.000 0.454 373 G N 0.648 109.549 108.800 0.169 0.000 2.295 373 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.287 373 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.287 373 G C -0.044 174.947 174.900 0.151 0.000 1.055 373 G CA 0.406 45.600 45.100 0.157 0.000 0.922 373 G HN 0.313 nan 8.290 nan 0.000 0.503 374 S N -0.832 114.950 115.700 0.136 0.000 2.677 374 S HA 0.455 4.925 4.470 -0.000 0.000 0.283 374 S C 1.198 175.773 174.600 -0.041 0.000 1.159 374 S CA -0.757 57.482 58.200 0.064 0.000 1.001 374 S CB 1.662 64.957 63.200 0.159 0.000 1.032 374 S HN 0.258 nan 8.310 nan 0.000 0.487 375 L N 2.090 123.268 121.223 -0.076 0.000 2.265 375 L HA -0.094 4.246 4.340 -0.000 0.000 0.215 375 L C 2.174 178.933 176.870 -0.185 0.000 1.117 375 L CA 1.179 55.966 54.840 -0.089 0.000 0.782 375 L CB -0.331 41.692 42.059 -0.061 0.000 0.914 375 L HN 0.717 nan 8.230 nan 0.000 0.441 376 E N 0.474 120.433 120.200 -0.401 0.000 2.209 376 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 376 E C 2.226 178.437 176.600 -0.648 0.000 0.993 376 E CA 0.995 56.994 56.400 -0.668 0.000 0.819 376 E CB -0.129 28.852 29.700 -1.199 0.000 0.745 376 E HN 0.524 nan 8.360 nan 0.000 0.477 377 A N 0.876 123.408 122.820 -0.480 0.000 2.125 377 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 377 A C 1.935 179.704 177.584 0.307 0.000 1.156 377 A CA 0.739 52.808 52.037 0.053 0.000 0.671 377 A CB -0.320 18.844 19.000 0.275 0.000 0.794 377 A HN 0.158 nan 8.150 nan 0.000 0.459 378 L N -1.228 120.071 121.223 0.125 0.000 2.591 378 L HA 0.127 4.467 4.340 -0.000 0.000 0.228 378 L C 0.443 177.394 176.870 0.133 0.000 1.133 378 L CA 0.253 55.163 54.840 0.116 0.000 0.880 378 L CB 0.002 42.086 42.059 0.041 0.000 1.033 378 L HN 0.216 nan 8.230 nan 0.000 0.450 379 E N 0.954 121.283 120.200 0.214 0.000 3.312 379 E HA 0.185 4.535 4.350 -0.000 0.000 0.215 379 E C -2.251 174.511 176.600 0.271 0.000 1.160 379 E CA -1.766 54.748 56.400 0.189 0.000 1.267 379 E CB 0.640 30.412 29.700 0.119 0.000 1.361 379 E HN 0.055 nan 8.360 nan 0.000 0.433 380 P HA -0.039 nan 4.420 nan 0.000 0.271 380 P C 0.798 178.126 177.300 0.045 0.000 1.218 380 P CA -0.045 63.008 63.100 -0.077 0.000 0.780 380 P CB 1.630 33.248 31.700 -0.137 0.000 0.901 381 V N -1.506 118.456 119.914 0.079 0.000 3.471 381 V HA 0.289 4.409 4.120 -0.000 0.000 0.258 381 V C 0.455 176.677 176.094 0.214 0.000 1.192 381 V CA 0.825 63.209 62.300 0.139 0.000 1.116 381 V CB -1.245 30.663 31.823 0.142 0.000 0.792 381 V HN 0.687 nan 8.190 nan 0.000 0.459 382 H N -1.218 117.923 119.070 0.117 0.000 3.005 382 H HA 0.591 5.147 4.556 -0.000 0.000 0.311 382 H C -2.317 173.227 175.328 0.359 0.000 1.366 382 H CA -0.682 55.457 56.048 0.152 0.000 1.210 382 H CB 1.775 31.526 29.762 -0.017 0.000 1.894 382 H HN 0.155 nan 8.280 nan 0.000 0.520 383 Y N 1.856 121.892 120.300 -0.441 0.000 2.470 383 Y HA 0.524 5.074 4.550 -0.000 0.000 0.341 383 Y C -1.642 174.130 175.900 -0.212 0.000 1.021 383 Y CA -0.666 57.348 58.100 -0.143 0.000 1.025 383 Y CB 1.778 40.172 38.460 -0.110 0.000 1.266 383 Y HN 0.610 nan 8.280 nan 0.000 0.448 384 E N 4.630 124.573 120.200 -0.430 0.000 2.272 384 E HA 0.371 4.721 4.350 -0.000 0.000 0.269 384 E C -1.432 174.823 176.600 -0.575 0.000 0.877 384 E CA -0.716 55.464 56.400 -0.367 0.000 0.755 384 E CB 2.595 32.317 29.700 0.037 0.000 1.192 384 E HN 0.796 nan 8.360 nan 0.000 0.422 385 E N 0.673 120.623 120.200 -0.417 0.000 2.413 385 E HA 0.702 5.052 4.350 -0.000 0.000 0.277 385 E C -1.188 175.368 176.600 -0.073 0.000 0.958 385 E CA -1.092 55.163 56.400 -0.242 0.000 0.779 385 E CB 2.565 32.097 29.700 -0.280 0.000 1.278 385 E HN 0.152 nan 8.360 nan 0.000 0.456 386 K N 1.289 121.696 120.400 0.010 0.000 2.581 386 K HA 0.287 4.607 4.320 -0.000 0.000 0.249 386 K C -1.710 174.854 176.600 -0.061 0.000 0.966 386 K CA -0.641 55.595 56.287 -0.086 0.000 0.811 386 K CB 1.494 33.910 32.500 -0.140 0.000 1.223 386 K HN 0.496 nan 8.250 nan 0.000 0.438 387 N N 4.227 122.851 118.700 -0.126 0.000 2.437 387 N HA 0.128 4.867 4.740 -0.000 0.000 0.243 387 N C -0.325 175.118 175.510 -0.111 0.000 1.041 387 N CA -0.426 52.607 53.050 -0.027 0.000 0.940 387 N CB 0.329 38.815 38.487 -0.003 0.000 1.133 387 N HN 0.678 nan 8.380 nan 0.000 0.506 388 W N 2.101 123.439 121.300 0.063 0.000 2.699 388 W HA 0.050 4.710 4.660 -0.000 0.000 0.249 388 W C 1.901 178.434 176.519 0.024 0.000 1.280 388 W CA -0.094 57.281 57.345 0.051 0.000 1.345 388 W CB -0.107 29.397 29.460 0.074 0.000 1.128 388 W HN 0.585 nan 8.180 nan 0.000 0.642 389 C N 0.369 119.774 119.300 0.174 0.000 2.437 389 C HA -0.129 4.331 4.460 -0.000 0.000 0.283 389 C C 2.260 177.276 174.990 0.044 0.000 1.424 389 C CA 1.239 60.316 59.018 0.098 0.000 1.782 389 C CB -1.489 26.292 27.740 0.069 0.000 1.833 389 C HN 0.493 nan 8.230 nan 0.000 0.532 390 E N 0.830 121.036 120.200 0.010 0.000 2.489 390 E HA 0.017 4.367 4.350 -0.000 0.000 0.193 390 E C -0.082 176.490 176.600 -0.046 0.000 1.057 390 E CA 0.286 56.668 56.400 -0.030 0.000 0.866 390 E CB -0.167 29.501 29.700 -0.053 0.000 0.916 390 E HN 0.497 nan 8.360 nan 0.000 0.500 391 E N 2.219 122.410 120.200 -0.016 0.000 2.129 391 E HA -0.023 4.327 4.350 -0.000 0.000 0.283 391 E C 0.486 177.067 176.600 -0.031 0.000 1.080 391 E CA 0.021 56.416 56.400 -0.009 0.000 0.867 391 E CB 1.510 31.262 29.700 0.086 0.000 1.056 391 E HN 0.353 nan 8.360 nan 0.000 0.404 392 Q N 3.025 122.743 119.800 -0.136 0.000 2.135 392 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 392 Q C 0.362 176.114 176.000 -0.413 0.000 0.981 392 Q CA 1.657 57.261 55.803 -0.333 0.000 0.856 392 Q CB 0.076 28.491 28.738 -0.538 0.000 0.902 392 Q HN 0.596 nan 8.270 nan 0.000 0.425 393 Y N -0.851 119.477 120.300 0.046 0.000 2.571 393 Y HA 0.266 4.816 4.550 -0.000 0.000 0.275 393 Y C 1.453 177.412 175.900 0.097 0.000 1.179 393 Y CA -0.280 57.856 58.100 0.061 0.000 1.242 393 Y CB 0.858 39.347 38.460 0.048 0.000 1.126 393 Y HN 0.076 nan 8.280 nan 0.000 0.524 394 S N -1.578 114.240 115.700 0.197 0.000 3.039 394 S HA 0.312 4.782 4.470 -0.000 0.000 0.251 394 S C 1.805 176.481 174.600 0.127 0.000 1.064 394 S CA 0.557 58.881 58.200 0.205 0.000 0.822 394 S CB 0.560 63.965 63.200 0.341 0.000 0.802 394 S HN 0.511 nan 8.310 nan 0.000 0.519 395 G N 0.940 109.799 108.800 0.097 0.000 2.195 395 G HA2 0.123 4.083 3.960 -0.000 0.000 0.246 395 G HA3 0.123 4.083 3.960 -0.000 0.000 0.246 395 G C 0.472 175.408 174.900 0.060 0.000 0.984 395 G CA 0.033 45.158 45.100 0.042 0.000 0.633 395 G HN 1.369 nan 8.290 nan 0.000 0.525 396 G N -2.311 106.564 108.800 0.125 0.000 2.352 396 G HA2 0.521 4.481 3.960 -0.000 0.000 0.283 396 G HA3 0.521 4.481 3.960 -0.000 0.000 0.283 396 G C -0.965 174.005 174.900 0.116 0.000 1.308 396 G CA 0.326 45.504 45.100 0.130 0.000 0.892 396 G HN 1.483 nan 8.290 nan 0.000 0.504 397 C N -1.750 117.566 119.300 0.027 0.000 3.311 397 C HA 0.583 5.043 4.460 -0.000 0.000 0.325 397 C C 0.852 175.679 174.990 -0.271 0.000 1.352 397 C CA -0.637 58.322 59.018 -0.099 0.000 1.308 397 C CB 0.704 28.287 27.740 -0.261 0.000 1.619 397 C HN 0.741 nan 8.230 nan 0.000 0.469 398 Y N 0.673 120.894 120.300 -0.132 0.000 2.314 398 Y HA 0.207 4.757 4.550 -0.000 0.000 0.293 398 Y C 1.564 177.421 175.900 -0.073 0.000 1.129 398 Y CA 1.348 59.343 58.100 -0.175 0.000 1.201 398 Y CB -0.427 37.910 38.460 -0.205 0.000 0.999 398 Y HN 0.699 nan 8.280 nan 0.000 0.541 399 T N -2.091 112.533 114.554 0.117 0.000 2.661 399 T HA 0.319 4.669 4.350 -0.000 0.000 0.305 399 T C -0.857 173.934 174.700 0.153 0.000 1.441 399 T CA -0.720 61.489 62.100 0.182 0.000 0.999 399 T CB 0.983 70.049 68.868 0.329 0.000 1.650 399 T HN -0.157 nan 8.240 nan 0.000 0.489 400 T N 2.673 117.334 114.554 0.178 0.000 2.851 400 T HA 0.496 4.846 4.350 -0.000 0.000 0.298 400 T C -0.831 173.879 174.700 0.016 0.000 0.977 400 T CA 0.045 62.155 62.100 0.016 0.000 1.126 400 T CB -0.368 68.510 68.868 0.017 0.000 0.916 400 T HN 0.468 nan 8.240 nan 0.000 0.529 401 Y N 1.050 121.123 120.300 -0.379 0.000 2.528 401 Y HA 0.789 5.339 4.550 -0.000 0.000 0.335 401 Y C -1.286 174.039 175.900 -0.958 0.000 1.093 401 Y CA -2.252 55.257 58.100 -0.985 0.000 1.134 401 Y CB 0.743 38.762 38.460 -0.735 0.000 1.253 401 Y HN 0.400 nan 8.280 nan 0.000 0.478 402 F N 3.477 122.653 119.950 -1.290 0.000 2.388 402 F HA 0.559 5.086 4.527 -0.000 0.000 0.358 402 F C -2.282 173.428 175.800 -0.150 0.000 1.122 402 F CA -2.762 54.876 58.000 -0.603 0.000 1.056 402 F CB 1.404 40.112 39.000 -0.486 0.000 1.155 402 F HN 0.365 nan 8.300 nan 0.000 0.461 403 P HA 0.094 nan 4.420 nan 0.000 0.271 403 P C -2.539 174.859 177.300 0.163 0.000 1.244 403 P CA -1.147 62.034 63.100 0.135 0.000 0.793 403 P CB -0.214 31.517 31.700 0.051 0.000 0.984 404 P HA -0.054 nan 4.420 nan 0.000 0.262 404 P C 0.928 178.318 177.300 0.149 0.000 1.182 404 P CA 1.376 64.574 63.100 0.163 0.000 0.761 404 P CB -0.161 31.617 31.700 0.129 0.000 0.795 405 G N 2.964 111.868 108.800 0.173 0.000 2.217 405 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.246 405 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.246 405 G C 0.781 175.801 174.900 0.200 0.000 0.990 405 G CA 0.074 45.269 45.100 0.158 0.000 0.627 405 G HN 0.434 nan 8.290 nan 0.000 0.522 406 I N 0.090 120.810 120.570 0.249 0.000 2.494 406 I HA 0.174 4.344 4.170 -0.000 0.000 0.250 406 I C 2.625 178.993 176.117 0.418 0.000 1.112 406 I CA 1.202 62.706 61.300 0.340 0.000 1.438 406 I CB -1.207 36.913 38.000 0.200 0.000 1.111 406 I HN 0.264 nan 8.210 nan 0.000 0.431 407 L N 1.228 122.679 121.223 0.380 0.000 2.042 407 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 407 L C 2.642 179.589 176.870 0.128 0.000 1.076 407 L CA 2.544 57.474 54.840 0.151 0.000 0.749 407 L CB -0.962 41.081 42.059 -0.027 0.000 0.893 407 L HN 0.424 nan 8.230 nan 0.000 0.432 408 T N -4.100 110.541 114.554 0.145 0.000 2.867 408 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 408 T C 1.793 176.460 174.700 -0.055 0.000 1.057 408 T CA 1.034 63.190 62.100 0.094 0.000 1.136 408 T CB -0.321 68.607 68.868 0.100 0.000 0.874 408 T HN 0.362 nan 8.240 nan 0.000 0.466 409 Q N -0.272 119.494 119.800 -0.055 0.000 2.250 409 Q HA 0.143 4.483 4.340 -0.000 0.000 0.200 409 Q C 1.010 176.686 176.000 -0.541 0.000 0.941 409 Q CA 1.048 56.674 55.803 -0.294 0.000 0.872 409 Q CB 0.094 28.655 28.738 -0.295 0.000 0.965 409 Q HN 0.768 nan 8.270 nan 0.000 0.480 410 Y N -1.805 118.431 120.300 -0.107 0.000 2.448 410 Y HA 0.259 4.809 4.550 -0.000 0.000 0.257 410 Y C 2.016 177.803 175.900 -0.188 0.000 1.089 410 Y CA 0.092 58.115 58.100 -0.128 0.000 1.245 410 Y CB 0.193 38.621 38.460 -0.054 0.000 1.282 410 Y HN 0.077 nan 8.280 nan 0.000 0.529 411 G N 1.753 110.482 108.800 -0.120 0.000 2.469 411 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.219 411 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.219 411 G C 1.759 176.216 174.900 -0.738 0.000 1.150 411 G CA 1.258 46.191 45.100 -0.278 0.000 0.763 411 G HN 0.409 nan 8.290 nan 0.000 0.561 412 R N 0.370 120.101 120.500 -1.283 0.000 2.241 412 R HA 0.027 4.367 4.340 -0.000 0.000 0.224 412 R C 1.890 177.950 176.300 -0.400 0.000 1.101 412 R CA 1.353 56.785 56.100 -1.114 0.000 0.995 412 R CB -0.628 29.038 30.300 -1.056 0.000 0.870 412 R HN 0.285 nan 8.270 nan 0.000 0.463 413 V N 1.585 121.323 119.914 -0.293 0.000 2.871 413 V HA -0.126 3.994 4.120 -0.000 0.000 0.256 413 V C 2.523 178.522 176.094 -0.158 0.000 1.082 413 V CA 0.889 63.085 62.300 -0.174 0.000 1.105 413 V CB -0.460 31.289 31.823 -0.124 0.000 0.713 413 V HN 0.253 nan 8.190 nan 0.000 0.473 414 L N 0.928 122.093 121.223 -0.096 0.000 1.997 414 L HA -0.223 4.117 4.340 -0.000 0.000 0.216 414 L C 2.492 179.320 176.870 -0.070 0.000 1.074 414 L CA 2.341 57.150 54.840 -0.050 0.000 0.763 414 L CB -0.212 41.913 42.059 0.110 0.000 0.890 414 L HN 0.467 nan 8.230 nan 0.000 0.434 415 R N -0.688 119.861 120.500 0.081 0.000 2.546 415 R HA 0.135 4.475 4.340 -0.000 0.000 0.320 415 R C 0.499 176.943 176.300 0.240 0.000 1.021 415 R CA -0.235 55.993 56.100 0.214 0.000 1.088 415 R CB -0.043 30.440 30.300 0.306 0.000 1.278 415 R HN 0.243 nan 8.270 nan 0.000 0.557 416 Q N 2.664 122.532 119.800 0.113 0.000 2.286 416 Q HA 0.209 4.549 4.340 -0.000 0.000 0.267 416 Q C -2.124 173.987 176.000 0.184 0.000 1.028 416 Q CA -2.110 53.758 55.803 0.107 0.000 0.901 416 Q CB 0.902 29.647 28.738 0.012 0.000 1.183 416 Q HN 0.042 nan 8.270 nan 0.000 0.392 417 P HA -0.052 nan 4.420 nan 0.000 0.267 417 P C -1.276 176.017 177.300 -0.012 0.000 1.200 417 P CA -0.035 63.001 63.100 -0.107 0.000 0.772 417 P CB 0.659 32.048 31.700 -0.519 0.000 0.855 418 V N 3.407 123.324 119.914 0.005 0.000 2.275 418 V HA 0.154 4.274 4.120 -0.000 0.000 0.272 418 V C 0.672 176.733 176.094 -0.055 0.000 1.028 418 V CA 0.094 62.401 62.300 0.012 0.000 0.810 418 V CB 0.048 31.921 31.823 0.084 0.000 1.043 418 V HN 0.780 nan 8.190 nan 0.000 0.453 419 D N 4.084 124.454 120.400 -0.050 0.000 4.259 419 D HA -0.303 4.337 4.640 -0.000 0.000 0.150 419 D C 1.321 177.611 176.300 -0.017 0.000 0.731 419 D CA 2.371 56.360 54.000 -0.019 0.000 1.138 419 D CB -0.270 40.533 40.800 0.004 0.000 0.540 419 D HN 0.569 nan 8.370 nan 0.000 0.507 420 R N -0.056 120.464 120.500 0.034 0.000 2.468 420 R HA 0.445 4.785 4.340 -0.000 0.000 0.280 420 R C -0.195 176.213 176.300 0.179 0.000 0.963 420 R CA -0.140 56.081 56.100 0.200 0.000 1.083 420 R CB 0.369 30.734 30.300 0.108 0.000 1.200 420 R HN 0.294 nan 8.270 nan 0.000 0.541 421 I N 1.232 121.754 120.570 -0.081 0.000 2.315 421 I HA 0.221 4.391 4.170 -0.000 0.000 0.291 421 I C -0.547 175.230 176.117 -0.566 0.000 1.006 421 I CA -0.695 60.475 61.300 -0.216 0.000 1.265 421 I CB 0.643 38.489 38.000 -0.256 0.000 1.387 421 I HN -0.077 nan 8.210 nan 0.000 0.475 422 Y N 5.329 125.398 120.300 -0.384 0.000 2.496 422 Y HA 0.536 5.086 4.550 -0.000 0.000 0.331 422 Y C -0.491 175.088 175.900 -0.535 0.000 1.140 422 Y CA -0.697 57.205 58.100 -0.329 0.000 1.166 422 Y CB 1.465 39.847 38.460 -0.130 0.000 1.249 422 Y HN 0.288 nan 8.280 nan 0.000 0.479 423 F N 1.259 121.314 119.950 0.175 0.000 2.427 423 F HA 0.708 5.235 4.527 -0.000 0.000 0.348 423 F C 0.372 176.248 175.800 0.127 0.000 1.125 423 F CA -0.572 57.506 58.000 0.129 0.000 0.989 423 F CB 1.133 40.193 39.000 0.100 0.000 1.165 423 F HN 0.599 nan 8.300 nan 0.000 0.442 424 A N 2.278 125.248 122.820 0.250 0.000 3.444 424 A HA 0.968 5.288 4.320 -0.000 0.000 0.189 424 A C 0.299 178.012 177.584 0.215 0.000 1.542 424 A CA -0.441 51.708 52.037 0.186 0.000 0.867 424 A CB 0.202 19.270 19.000 0.112 0.000 1.712 424 A HN 1.485 nan 8.150 nan 0.000 0.556 425 G N -2.476 106.429 108.800 0.176 0.000 2.785 425 G HA2 0.117 4.077 3.960 -0.000 0.000 0.686 425 G HA3 0.117 4.077 3.960 -0.000 0.000 0.686 425 G C 0.414 175.442 174.900 0.214 0.000 1.155 425 G CA 0.616 45.827 45.100 0.186 0.000 0.760 425 G HN 1.572 nan 8.290 nan 0.000 0.624 426 T N 0.129 114.811 114.554 0.212 0.000 2.849 426 T HA -0.104 4.246 4.350 -0.000 0.000 0.270 426 T C 2.095 176.993 174.700 0.329 0.000 1.066 426 T CA 2.681 64.933 62.100 0.253 0.000 1.130 426 T CB -0.175 68.836 68.868 0.238 0.000 0.864 426 T HN 0.620 nan 8.240 nan 0.000 0.481 427 E N 0.508 120.907 120.200 0.331 0.000 2.265 427 E HA -0.062 4.288 4.350 -0.000 0.000 0.196 427 E C 2.219 179.069 176.600 0.417 0.000 0.996 427 E CA 1.526 58.172 56.400 0.410 0.000 0.832 427 E CB -0.189 29.717 29.700 0.343 0.000 0.756 427 E HN 0.712 nan 8.360 nan 0.000 0.491 428 T N -2.569 112.196 114.554 0.351 0.000 3.107 428 T HA 0.453 4.803 4.350 -0.000 0.000 0.249 428 T C 0.801 175.736 174.700 0.391 0.000 1.096 428 T CA 0.012 62.322 62.100 0.350 0.000 1.012 428 T CB 0.211 69.261 68.868 0.304 0.000 0.977 428 T HN 0.098 nan 8.240 nan 0.000 0.527 429 A N 1.727 124.782 122.820 0.392 0.000 2.313 429 A HA 0.562 4.882 4.320 -0.000 0.000 0.261 429 A C 1.487 179.341 177.584 0.450 0.000 1.090 429 A CA 0.091 52.363 52.037 0.392 0.000 0.807 429 A CB 0.386 19.576 19.000 0.318 0.000 1.055 429 A HN 0.492 nan 8.150 nan 0.000 0.492 430 T N -2.753 112.044 114.554 0.406 0.000 3.003 430 T HA 0.250 4.600 4.350 -0.000 0.000 0.261 430 T C 0.215 175.026 174.700 0.186 0.000 1.003 430 T CA 0.599 62.894 62.100 0.325 0.000 0.917 430 T CB -0.392 68.613 68.868 0.228 0.000 1.084 430 T HN 0.750 nan 8.240 nan 0.000 0.522 431 H N -1.071 118.033 119.070 0.056 0.000 2.934 431 H HA 0.281 4.837 4.556 -0.000 0.000 0.340 431 H C -0.970 174.383 175.328 0.041 0.000 1.008 431 H CA -1.129 54.877 56.048 -0.069 0.000 1.317 431 H CB 0.968 30.745 29.762 0.025 0.000 1.670 431 H HN 0.294 nan 8.280 nan 0.000 0.516 432 W N 2.210 123.283 121.300 -0.378 0.000 5.538 432 W HA -0.253 4.407 4.660 0.000 0.000 0.377 432 W C 0.517 176.983 176.519 -0.088 0.000 1.406 432 W CA 0.958 58.040 57.345 -0.438 0.000 0.940 432 W CB -1.647 27.470 29.460 -0.571 0.000 2.536 432 W HN 0.387 nan 8.180 nan 0.000 1.504 433 S N 0.484 116.230 115.700 0.077 0.000 2.558 433 S HA 0.362 4.832 4.470 -0.000 0.000 0.293 433 S C 1.403 176.215 174.600 0.353 0.000 1.292 433 S CA 1.768 60.121 58.200 0.254 0.000 1.063 433 S CB 0.697 64.105 63.200 0.346 0.000 0.831 433 S HN 1.405 nan 8.310 nan 0.000 0.499 434 G N 3.061 112.138 108.800 0.462 0.000 2.213 434 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.226 434 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.226 434 G C -0.240 174.768 174.900 0.181 0.000 0.992 434 G CA 0.228 45.600 45.100 0.453 0.000 0.632 434 G HN 0.686 nan 8.290 nan 0.000 0.511 435 Y N -0.425 119.988 120.300 0.189 0.000 2.587 435 Y HA 0.699 5.249 4.550 -0.000 0.000 0.337 435 Y C 1.942 177.884 175.900 0.069 0.000 1.065 435 Y CA -0.784 57.379 58.100 0.104 0.000 1.126 435 Y CB 0.952 39.462 38.460 0.083 0.000 1.279 435 Y HN -0.025 nan 8.280 nan 0.000 0.489 436 M N -0.153 119.552 119.600 0.175 0.000 2.144 436 M HA -0.231 4.249 4.480 -0.000 0.000 0.260 436 M C 1.824 178.185 176.300 0.101 0.000 1.067 436 M CA 2.078 57.448 55.300 0.117 0.000 1.095 436 M CB -0.270 32.392 32.600 0.103 0.000 1.365 436 M HN 0.788 nan 8.290 nan 0.000 0.406 437 E N 0.760 120.997 120.200 0.061 0.000 2.058 437 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 437 E C 1.982 178.644 176.600 0.103 0.000 0.997 437 E CA 2.077 58.480 56.400 0.005 0.000 0.801 437 E CB -0.670 28.903 29.700 -0.212 0.000 0.746 437 E HN 0.438 nan 8.360 nan 0.000 0.450 438 G N 0.123 109.035 108.800 0.187 0.000 2.422 438 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 438 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 438 G C 1.724 176.738 174.900 0.190 0.000 1.146 438 G CA 1.173 46.405 45.100 0.220 0.000 0.769 438 G HN 0.480 nan 8.290 nan 0.000 0.547 439 A N 0.277 123.197 122.820 0.167 0.000 1.892 439 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 439 A C 2.630 180.275 177.584 0.102 0.000 1.188 439 A CA 2.120 54.237 52.037 0.134 0.000 0.631 439 A CB -0.738 18.329 19.000 0.112 0.000 0.822 439 A HN 0.290 nan 8.150 nan 0.000 0.447 440 V N 0.040 120.006 119.914 0.086 0.000 2.261 440 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 440 V C 2.543 178.677 176.094 0.066 0.000 1.047 440 V CA 2.227 64.564 62.300 0.061 0.000 1.015 440 V CB -0.857 30.995 31.823 0.048 0.000 0.642 440 V HN 0.749 nan 8.190 nan 0.000 0.446 441 E N 0.440 120.698 120.200 0.096 0.000 2.070 441 E HA -0.297 4.053 4.350 -0.000 0.000 0.197 441 E C 2.194 178.835 176.600 0.068 0.000 1.004 441 E CA 1.860 58.326 56.400 0.109 0.000 0.805 441 E CB -0.176 29.636 29.700 0.187 0.000 0.744 441 E HN 0.561 nan 8.360 nan 0.000 0.451 442 A N 0.541 123.420 122.820 0.098 0.000 1.929 442 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 442 A C 2.405 180.008 177.584 0.032 0.000 1.176 442 A CA 1.512 53.598 52.037 0.081 0.000 0.628 442 A CB -0.920 18.174 19.000 0.157 0.000 0.816 442 A HN 0.440 nan 8.150 nan 0.000 0.444 443 G N -0.226 108.599 108.800 0.042 0.000 2.421 443 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 443 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 443 G C 1.430 176.317 174.900 -0.023 0.000 1.171 443 G CA 0.980 46.092 45.100 0.020 0.000 0.775 443 G HN 0.639 nan 8.290 nan 0.000 0.543 444 E N -0.167 120.016 120.200 -0.029 0.000 2.106 444 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 444 E C 2.528 179.057 176.600 -0.118 0.000 0.984 444 E CA 0.373 56.740 56.400 -0.055 0.000 0.806 444 E CB -0.127 29.556 29.700 -0.028 0.000 0.750 444 E HN 0.310 nan 8.360 nan 0.000 0.458 445 R N 1.183 121.578 120.500 -0.175 0.000 2.081 445 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 445 R C 2.177 178.304 176.300 -0.288 0.000 1.131 445 R CA 1.374 57.261 56.100 -0.355 0.000 0.960 445 R CB -0.227 29.696 30.300 -0.628 0.000 0.856 445 R HN 0.133 nan 8.270 nan 0.000 0.436 446 A N 0.909 123.631 122.820 -0.165 0.000 1.902 446 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 446 A C 2.394 179.871 177.584 -0.177 0.000 1.181 446 A CA 1.649 53.627 52.037 -0.099 0.000 0.623 446 A CB -0.661 18.341 19.000 0.004 0.000 0.818 446 A HN 0.538 nan 8.150 nan 0.000 0.443 447 A N -0.199 122.532 122.820 -0.149 0.000 1.902 447 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 447 A C 2.241 179.703 177.584 -0.203 0.000 1.181 447 A CA 1.511 53.451 52.037 -0.161 0.000 0.623 447 A CB -0.453 18.489 19.000 -0.098 0.000 0.818 447 A HN 0.538 nan 8.150 nan 0.000 0.443 448 R N -0.469 119.919 120.500 -0.185 0.000 2.148 448 R HA -0.085 4.255 4.340 -0.000 0.000 0.227 448 R C 2.021 178.206 176.300 -0.192 0.000 1.103 448 R CA 1.258 57.257 56.100 -0.169 0.000 0.983 448 R CB -0.239 29.969 30.300 -0.152 0.000 0.874 448 R HN 0.678 nan 8.270 nan 0.000 0.451 449 E N 0.608 120.654 120.200 -0.256 0.000 2.077 449 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 449 E C 1.954 178.248 176.600 -0.509 0.000 0.989 449 E CA 1.118 57.357 56.400 -0.269 0.000 0.800 449 E CB -0.066 29.513 29.700 -0.200 0.000 0.746 449 E HN 0.323 nan 8.360 nan 0.000 0.452 450 I N 0.932 121.064 120.570 -0.729 0.000 2.252 450 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 450 I C 2.292 178.086 176.117 -0.539 0.000 1.102 450 I CA 0.795 61.559 61.300 -0.894 0.000 1.385 450 I CB -0.118 37.401 38.000 -0.803 0.000 1.064 450 I HN 0.111 nan 8.210 nan 0.000 0.414 451 L N -0.096 120.940 121.223 -0.312 0.000 2.042 451 L HA -0.294 4.046 4.340 -0.000 0.000 0.210 451 L C 2.716 179.518 176.870 -0.115 0.000 1.076 451 L CA 1.656 56.392 54.840 -0.174 0.000 0.749 451 L CB -0.938 41.056 42.059 -0.109 0.000 0.893 451 L HN 0.366 nan 8.230 nan 0.000 0.432 452 H N 0.124 119.085 119.070 -0.182 0.000 2.357 452 H HA -0.108 4.448 4.556 -0.000 0.000 0.301 452 H C 2.124 177.391 175.328 -0.102 0.000 1.082 452 H CA 1.503 57.485 56.048 -0.111 0.000 1.342 452 H CB 0.039 29.754 29.762 -0.077 0.000 1.389 452 H HN 0.256 nan 8.280 nan 0.000 0.511 453 A N 0.362 123.011 122.820 -0.286 0.000 2.019 453 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 453 A C 2.297 179.782 177.584 -0.165 0.000 1.164 453 A CA 1.723 53.607 52.037 -0.254 0.000 0.644 453 A CB -0.626 18.217 19.000 -0.261 0.000 0.805 453 A HN 0.561 nan 8.150 nan 0.000 0.449 454 M N -1.544 117.946 119.600 -0.183 0.000 2.595 454 M HA 0.145 4.625 4.480 -0.000 0.000 0.248 454 M C 1.382 177.644 176.300 -0.064 0.000 1.119 454 M CA 0.811 56.077 55.300 -0.055 0.000 1.079 454 M CB 0.183 32.757 32.600 -0.043 0.000 1.472 454 M HN 0.623 nan 8.290 nan 0.000 0.501 455 G N 0.923 109.647 108.800 -0.126 0.000 2.143 455 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.249 455 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.249 455 G C 0.875 175.750 174.900 -0.041 0.000 0.981 455 G CA 0.470 45.514 45.100 -0.094 0.000 0.665 455 G HN 0.458 nan 8.290 nan 0.000 0.528 456 K N -0.387 119.990 120.400 -0.038 0.000 2.243 456 K HA 0.285 4.605 4.320 -0.000 0.000 0.201 456 K C 1.354 177.957 176.600 0.005 0.000 1.051 456 K CA 1.347 57.624 56.287 -0.018 0.000 0.970 456 K CB 0.209 32.691 32.500 -0.030 0.000 0.755 456 K HN 0.820 nan 8.250 nan 0.000 0.465 457 I N -2.007 118.583 120.570 0.034 0.000 2.865 457 I HA 0.444 4.614 4.170 -0.000 0.000 0.302 457 I C -2.993 173.219 176.117 0.160 0.000 1.140 457 I CA -3.015 58.324 61.300 0.064 0.000 1.021 457 I CB 2.378 40.399 38.000 0.036 0.000 1.233 457 I HN -0.260 nan 8.210 nan 0.000 0.427 458 P HA 0.139 nan 4.420 nan 0.000 0.276 458 P C 0.196 177.502 177.300 0.009 0.000 1.244 458 P CA -0.051 63.130 63.100 0.134 0.000 0.801 458 P CB 1.198 32.937 31.700 0.065 0.000 1.006 459 E N 0.371 120.470 120.200 -0.168 0.000 2.130 459 E HA -0.278 4.072 4.350 -0.000 0.000 0.196 459 E C 1.089 177.608 176.600 -0.135 0.000 0.998 459 E CA 1.436 57.578 56.400 -0.430 0.000 0.806 459 E CB -0.187 29.331 29.700 -0.303 0.000 0.738 459 E HN 0.397 nan 8.360 nan 0.000 0.459 460 D N 0.446 120.821 120.400 -0.041 0.000 2.220 460 D HA -0.190 4.450 4.640 -0.000 0.000 0.198 460 D C 1.035 177.354 176.300 0.032 0.000 1.001 460 D CA 1.273 55.280 54.000 0.011 0.000 0.875 460 D CB 0.033 40.843 40.800 0.017 0.000 0.921 460 D HN 0.300 nan 8.370 nan 0.000 0.454 461 E N -1.211 118.994 120.200 0.009 0.000 2.476 461 E HA 0.154 4.503 4.350 -0.000 0.000 0.196 461 E C 1.823 178.422 176.600 -0.002 0.000 1.029 461 E CA -0.301 56.110 56.400 0.017 0.000 0.896 461 E CB 0.512 30.218 29.700 0.011 0.000 1.012 461 E HN 0.328 nan 8.360 nan 0.000 0.475 462 I N -0.021 120.536 120.570 -0.020 0.000 2.179 462 I HA -0.177 3.993 4.170 -0.000 0.000 0.242 462 I C 0.442 176.453 176.117 -0.176 0.000 1.088 462 I CA 1.163 62.394 61.300 -0.116 0.000 1.357 462 I CB 0.094 38.015 38.000 -0.132 0.000 1.051 462 I HN 0.115 nan 8.210 nan 0.000 0.409 463 W N 1.515 122.814 121.300 -0.003 0.000 2.349 463 W HA 0.519 5.179 4.660 -0.000 0.000 0.309 463 W C -0.165 176.360 176.519 0.011 0.000 1.083 463 W CA -0.261 57.093 57.345 0.016 0.000 1.224 463 W CB 0.654 30.126 29.460 0.020 0.000 1.256 463 W HN -0.059 nan 8.180 nan 0.000 0.461 464 Q N 1.986 121.908 119.800 0.204 0.000 2.337 464 Q HA 0.378 4.718 4.340 -0.000 0.000 0.270 464 Q C 0.143 176.220 176.000 0.128 0.000 1.043 464 Q CA -0.675 55.205 55.803 0.128 0.000 0.794 464 Q CB 2.265 31.044 28.738 0.068 0.000 1.281 464 Q HN 0.556 nan 8.270 nan 0.000 0.446 465 S N 1.455 117.214 115.700 0.099 0.000 2.589 465 S HA 0.299 4.769 4.470 -0.000 0.000 0.265 465 S C -0.181 174.463 174.600 0.073 0.000 1.342 465 S CA -0.542 57.708 58.200 0.083 0.000 1.005 465 S CB 1.256 64.489 63.200 0.054 0.000 0.909 465 S HN 0.595 nan 8.310 nan 0.000 0.555 466 E N 0.821 121.066 120.200 0.074 0.000 2.224 466 E HA 0.583 4.933 4.350 -0.000 0.000 0.265 466 E C -2.821 173.810 176.600 0.052 0.000 0.878 466 E CA -2.130 54.309 56.400 0.065 0.000 0.759 466 E CB 1.054 30.802 29.700 0.081 0.000 1.164 466 E HN 0.546 nan 8.360 nan 0.000 0.414 467 P HA 0.090 nan 4.420 nan 0.000 0.269 467 P C -0.764 176.555 177.300 0.031 0.000 1.209 467 P CA -0.227 62.891 63.100 0.031 0.000 0.776 467 P CB 0.529 32.243 31.700 0.024 0.000 0.876 468 E N 1.444 121.661 120.200 0.028 0.000 2.384 468 E HA 0.089 4.439 4.350 -0.000 0.000 0.266 468 E C -0.092 176.519 176.600 0.018 0.000 1.012 468 E CA -0.292 56.124 56.400 0.025 0.000 0.901 468 E CB 0.414 30.127 29.700 0.022 0.000 0.967 468 E HN 0.388 nan 8.360 nan 0.000 0.435 469 S N 2.950 118.658 115.700 0.013 0.000 2.546 469 S HA -0.048 4.422 4.470 -0.000 0.000 0.290 469 S C 1.181 175.785 174.600 0.007 0.000 1.290 469 S CA -0.098 58.107 58.200 0.009 0.000 1.069 469 S CB 0.841 64.040 63.200 -0.001 0.000 0.846 469 S HN 0.531 nan 8.310 nan 0.000 0.495 470 V N 1.938 121.857 119.914 0.009 0.000 2.871 470 V HA 0.054 4.174 4.120 -0.000 0.000 0.256 470 V C 1.488 177.586 176.094 0.007 0.000 1.082 470 V CA 1.500 63.805 62.300 0.008 0.000 1.105 470 V CB -0.576 31.253 31.823 0.010 0.000 0.713 470 V HN 0.822 nan 8.190 nan 0.000 0.473 471 D N 1.037 121.441 120.400 0.007 0.000 2.213 471 D HA 0.088 4.728 4.640 -0.000 0.000 0.205 471 D C 0.781 177.078 176.300 -0.005 0.000 0.961 471 D CA 1.168 55.172 54.000 0.006 0.000 0.853 471 D CB 0.755 41.563 40.800 0.014 0.000 0.967 471 D HN 0.523 nan 8.370 nan 0.000 0.496 472 V N 3.547 123.453 119.914 -0.014 0.000 2.320 472 V HA 0.203 4.323 4.120 -0.000 0.000 0.257 472 V C -2.433 173.647 176.094 -0.023 0.000 0.996 472 V CA -1.298 60.984 62.300 -0.030 0.000 0.928 472 V CB 1.194 32.982 31.823 -0.059 0.000 1.169 472 V HN -0.051 nan 8.190 nan 0.000 0.475 473 P HA 0.375 nan 4.420 nan 0.000 0.275 473 P C -0.301 176.995 177.300 -0.006 0.000 1.228 473 P CA 0.071 63.168 63.100 -0.005 0.000 0.786 473 P CB 1.615 33.314 31.700 -0.001 0.000 0.927 474 A N 3.589 126.410 122.820 0.002 0.000 2.289 474 A HA 0.283 4.603 4.320 -0.000 0.000 0.298 474 A C 0.383 177.970 177.584 0.005 0.000 1.208 474 A CA -0.488 51.553 52.037 0.007 0.000 0.845 474 A CB 0.071 19.086 19.000 0.024 0.000 1.125 474 A HN 0.459 nan 8.150 nan 0.000 0.517 475 Q N 2.662 122.463 119.800 0.001 0.000 2.293 475 Q HA 0.332 4.672 4.340 -0.000 0.000 0.251 475 Q C -2.263 173.737 176.000 0.000 0.000 0.930 475 Q CA -1.687 54.116 55.803 0.000 0.000 0.893 475 Q CB 0.816 29.552 28.738 -0.002 0.000 1.215 475 Q HN 0.565 nan 8.270 nan 0.000 0.425 476 P HA 0.147 nan 4.420 nan 0.000 0.272 476 P C -0.313 176.983 177.300 -0.007 0.000 1.223 476 P CA -0.272 62.825 63.100 -0.005 0.000 0.784 476 P CB 0.708 32.404 31.700 -0.006 0.000 0.923 477 I N 2.172 122.735 120.570 -0.013 0.000 2.352 477 I HA 0.164 4.334 4.170 -0.000 0.000 0.290 477 I C 1.215 177.324 176.117 -0.014 0.000 1.036 477 I CA 0.226 61.517 61.300 -0.014 0.000 1.336 477 I CB 0.110 38.094 38.000 -0.025 0.000 1.407 477 I HN 0.421 nan 8.210 nan 0.000 0.497 478 T N 2.114 116.665 114.554 -0.006 0.000 2.932 478 T HA 0.811 5.161 4.350 -0.000 0.000 0.289 478 T C -0.022 174.672 174.700 -0.010 0.000 1.039 478 T CA -0.668 61.429 62.100 -0.006 0.000 1.024 478 T CB 2.226 71.097 68.868 0.005 0.000 1.090 478 T HN 0.644 nan 8.240 nan 0.000 0.496 479 T N -1.157 113.386 114.554 -0.019 0.000 2.916 479 T HA 0.746 5.096 4.350 -0.000 0.000 0.292 479 T C 0.246 174.944 174.700 -0.004 0.000 1.064 479 T CA -0.730 61.349 62.100 -0.034 0.000 1.011 479 T CB 1.327 70.150 68.868 -0.076 0.000 1.152 479 T HN 1.014 nan 8.240 nan 0.000 0.510 480 T N -0.668 113.888 114.554 0.003 0.000 2.902 480 T HA 0.432 4.782 4.350 -0.000 0.000 0.280 480 T C 0.818 175.571 174.700 0.088 0.000 0.992 480 T CA -0.871 61.267 62.100 0.063 0.000 1.015 480 T CB 0.727 69.637 68.868 0.071 0.000 1.044 480 T HN 0.524 nan 8.240 nan 0.000 0.520 481 F N 0.760 120.730 119.950 0.033 0.000 2.095 481 F HA -0.035 4.492 4.527 -0.000 0.000 0.298 481 F C 1.909 177.776 175.800 0.111 0.000 1.104 481 F CA 1.473 59.531 58.000 0.097 0.000 1.232 481 F CB -0.511 38.547 39.000 0.096 0.000 0.987 481 F HN 0.505 nan 8.300 nan 0.000 0.475 482 L N -0.059 121.271 121.223 0.178 0.000 2.056 482 L HA -0.199 4.141 4.340 -0.000 0.000 0.207 482 L C 2.387 179.251 176.870 -0.011 0.000 1.078 482 L CA 1.629 56.519 54.840 0.084 0.000 0.749 482 L CB -0.759 41.381 42.059 0.136 0.000 0.901 482 L HN 0.137 nan 8.230 nan 0.000 0.433 483 E N -0.181 120.006 120.200 -0.022 0.000 2.085 483 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 483 E C 2.373 178.864 176.600 -0.181 0.000 0.994 483 E CA 1.106 57.454 56.400 -0.086 0.000 0.801 483 E CB 0.005 29.644 29.700 -0.102 0.000 0.743 483 E HN 0.369 nan 8.360 nan 0.000 0.453 484 R N -0.556 119.776 120.500 -0.279 0.000 2.090 484 R HA -0.050 4.290 4.340 -0.000 0.000 0.228 484 R C 1.750 177.679 176.300 -0.619 0.000 1.110 484 R CA 1.010 56.816 56.100 -0.490 0.000 0.973 484 R CB 0.056 29.957 30.300 -0.665 0.000 0.869 484 R HN 0.307 nan 8.270 nan 0.000 0.440 485 H N -0.840 118.042 119.070 -0.312 0.000 2.874 485 H HA 0.203 4.759 4.556 -0.000 0.000 0.264 485 H C 0.375 175.596 175.328 -0.179 0.000 1.007 485 H CA -0.182 55.680 56.048 -0.310 0.000 1.207 485 H CB 0.469 29.894 29.762 -0.562 0.000 1.487 485 H HN 0.014 nan 8.280 nan 0.000 0.505 486 L N 4.526 125.726 121.223 -0.038 0.000 2.525 486 L HA 0.038 4.378 4.340 -0.000 0.000 0.278 486 L C -1.668 175.189 176.870 -0.022 0.000 1.218 486 L CA -1.373 53.468 54.840 0.001 0.000 0.878 486 L CB 0.248 42.340 42.059 0.056 0.000 1.127 486 L HN -0.013 nan 8.230 nan 0.000 0.492 487 P HA 0.092 nan 4.420 nan 0.000 0.274 487 P C -0.509 176.752 177.300 -0.065 0.000 1.237 487 P CA -0.563 62.509 63.100 -0.046 0.000 0.793 487 P CB 0.900 32.571 31.700 -0.049 0.000 0.977 488 S N 0.333 115.976 115.700 -0.096 0.000 2.606 488 S HA 0.072 4.542 4.470 -0.000 0.000 0.257 488 S C 1.492 175.966 174.600 -0.209 0.000 1.327 488 S CA -0.489 57.630 58.200 -0.135 0.000 0.984 488 S CB -0.371 62.743 63.200 -0.142 0.000 0.941 488 S HN 0.216 nan 8.310 nan 0.000 0.576 489 V N 2.260 121.984 119.914 -0.317 0.000 2.261 489 V HA -0.061 4.059 4.120 -0.000 0.000 0.246 489 V C -0.433 175.258 176.094 -0.671 0.000 1.047 489 V CA 1.836 63.860 62.300 -0.460 0.000 1.015 489 V CB -1.976 29.559 31.823 -0.479 0.000 0.642 489 V HN 0.798 nan 8.190 nan 0.000 0.446 490 P HA -0.118 nan 4.420 nan 0.000 0.220 490 P C 1.714 178.819 177.300 -0.326 0.000 1.148 490 P CA 1.983 64.656 63.100 -0.712 0.000 0.803 490 P CB -0.269 31.121 31.700 -0.516 0.000 0.782 491 G N 0.404 109.054 108.800 -0.250 0.000 2.402 491 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 491 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 491 G C 1.503 176.328 174.900 -0.124 0.000 1.162 491 G CA 0.394 45.408 45.100 -0.143 0.000 0.777 491 G HN 0.229 nan 8.290 nan 0.000 0.539 492 L N 0.380 121.515 121.223 -0.147 0.000 2.093 492 L HA 0.171 4.511 4.340 -0.000 0.000 0.208 492 L C 2.649 179.457 176.870 -0.103 0.000 1.085 492 L CA 1.174 55.950 54.840 -0.107 0.000 0.755 492 L CB -0.275 41.724 42.059 -0.099 0.000 0.904 492 L HN 0.183 nan 8.230 nan 0.000 0.435 493 L N -1.096 120.037 121.223 -0.150 0.000 2.141 493 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 493 L C 2.688 179.514 176.870 -0.072 0.000 1.094 493 L CA 0.892 55.663 54.840 -0.114 0.000 0.763 493 L CB -0.523 41.441 42.059 -0.160 0.000 0.908 493 L HN 0.211 nan 8.230 nan 0.000 0.437 494 R N -0.309 120.145 120.500 -0.076 0.000 2.115 494 R HA -0.077 4.263 4.340 -0.000 0.000 0.226 494 R C 2.216 178.496 176.300 -0.034 0.000 1.100 494 R CA 0.914 56.987 56.100 -0.044 0.000 0.980 494 R CB -0.346 29.929 30.300 -0.042 0.000 0.875 494 R HN 0.263 nan 8.270 nan 0.000 0.445 495 L N 0.894 122.093 121.223 -0.041 0.000 2.201 495 L HA -0.038 4.302 4.340 -0.000 0.000 0.212 495 L C 1.126 177.982 176.870 -0.023 0.000 1.105 495 L CA 1.048 55.870 54.840 -0.029 0.000 0.775 495 L CB 0.006 42.046 42.059 -0.031 0.000 0.913 495 L HN 0.011 nan 8.230 nan 0.000 0.440 496 I N 0.000 120.554 120.570 -0.027 0.000 2.984 496 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 496 I CA 0.000 61.289 61.300 -0.019 0.000 1.566 496 I CB 0.000 37.987 38.000 -0.021 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494