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 3ffe_1_A DATA FIRST_RESID 7 DATA SEQUENCE DVLSRMISEK AALHGLLNCL IKEFAIPEGY LRYEWPDEMK GIPPGAYFDG DATA SEQUENCE ADWKGIPMMI GLPDQLQLFV MVDRRDTFGS QHYLSDVYLR QAXGDWQCPD DATA SEQUENCE FEPLVARLLA ACEHIAGRKN PELYEQILQS QRLVSAIVSH NGRQRADAPL DATA SEQUENCE QHYLQSEQGL WFGHPSHPAP KARLWPAHLG QEQWAPEFQA RAALHQFEVP DATA SEQUENCE VDGLHIGANG LTPQQVLDGF ADQQPASPGH AIICMHPVQA QLFMQDARVQ DATA SEQUENCE QLLRDNVIRD LGQSGRVASP TASIRTWFID DHDYFIKGSL NVRITNCVRK DATA SEQUENCE NAWYELESTV LIDRLFRQLL DQHADTLGGL VAAAEPGVVS WSPAAAGELD DATA SEQUENCE SHWFREQTGG ILRENFCRRT GAERSIMAGT LFARGVDLQP MIQTFLRTHY DATA SEQUENCE GEALDDNALL YWFDDYQTRL LRPVLSLFFN HGVVMEPHLQ NSVLVHQQGR DATA SEQUENCE PQQVLLRDFE GVKLTDDLGI RYIDDDIHPR VRQSLLYSRE QGWNRIMYCL DATA SEQUENCE FINHLSETIL ALSQGRPQLA PLMWRRVQQQ LRAIQGELKQ PSPELDALIA DATA SEQUENCE GHPVACKTNL KVRLAXXXXX XASYVRLPSP W 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.287 176.300 -0.021 0.000 2.045 7 D CA 0.000 53.987 54.000 -0.022 0.000 0.868 7 D CB 0.000 40.791 40.800 -0.015 0.000 0.688 8 V N 1.264 121.168 119.914 -0.017 0.000 2.358 8 V HA -0.138 3.982 4.120 -0.000 0.000 0.246 8 V C 2.352 178.434 176.094 -0.021 0.000 1.047 8 V CA 1.259 63.550 62.300 -0.016 0.000 1.035 8 V CB -0.300 31.518 31.823 -0.009 0.000 0.658 8 V HN 0.156 nan 8.190 nan 0.000 0.452 9 L N 0.263 121.473 121.223 -0.022 0.000 2.012 9 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 9 L C 2.595 179.447 176.870 -0.030 0.000 1.073 9 L CA 2.117 56.943 54.840 -0.023 0.000 0.748 9 L CB -0.801 41.244 42.059 -0.024 0.000 0.891 9 L HN 0.306 nan 8.230 nan 0.000 0.431 10 S N -0.965 114.713 115.700 -0.037 0.000 2.382 10 S HA -0.206 4.264 4.470 -0.000 0.000 0.228 10 S C 2.040 176.613 174.600 -0.044 0.000 1.027 10 S CA 1.307 59.480 58.200 -0.044 0.000 0.991 10 S CB -0.359 62.808 63.200 -0.054 0.000 0.823 10 S HN 0.434 nan 8.310 nan 0.000 0.469 11 R N 1.039 121.510 120.500 -0.049 0.000 2.073 11 R HA 0.002 4.342 4.340 -0.000 0.000 0.234 11 R C 2.238 178.483 176.300 -0.092 0.000 1.134 11 R CA 1.466 57.523 56.100 -0.072 0.000 0.952 11 R CB -0.277 29.988 30.300 -0.058 0.000 0.850 11 R HN 0.367 nan 8.270 nan 0.000 0.433 12 M N 0.043 119.606 119.600 -0.061 0.000 2.229 12 M HA -0.102 4.378 4.480 -0.000 0.000 0.264 12 M C 2.187 178.448 176.300 -0.064 0.000 1.063 12 M CA 1.396 56.662 55.300 -0.056 0.000 1.114 12 M CB -0.113 32.471 32.600 -0.027 0.000 1.387 12 M HN 0.191 nan 8.290 nan 0.000 0.420 13 I N 0.027 120.571 120.570 -0.044 0.000 2.202 13 I HA -0.280 3.890 4.170 -0.000 0.000 0.242 13 I C 2.768 178.866 176.117 -0.032 0.000 1.091 13 I CA 1.657 62.942 61.300 -0.025 0.000 1.368 13 I CB -0.419 37.597 38.000 0.028 0.000 1.058 13 I HN 0.364 nan 8.210 nan 0.000 0.410 14 S N 0.357 116.043 115.700 -0.023 0.000 2.382 14 S HA -0.206 4.264 4.470 -0.000 0.000 0.228 14 S C 1.809 176.304 174.600 -0.175 0.000 1.027 14 S CA 1.272 59.461 58.200 -0.018 0.000 0.991 14 S CB -0.486 62.688 63.200 -0.043 0.000 0.823 14 S HN 0.483 nan 8.310 nan 0.000 0.469 15 E N 1.180 121.204 120.200 -0.294 0.000 2.107 15 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 15 E C 2.149 178.640 176.600 -0.181 0.000 0.982 15 E CA 0.951 57.074 56.400 -0.461 0.000 0.809 15 E CB -0.118 29.341 29.700 -0.402 0.000 0.756 15 E HN 0.637 nan 8.360 nan 0.000 0.459 16 K N 0.821 121.104 120.400 -0.196 0.000 2.025 16 K HA -0.121 4.198 4.320 -0.000 0.000 0.207 16 K C 2.139 178.415 176.600 -0.540 0.000 1.049 16 K CA 1.135 57.219 56.287 -0.339 0.000 0.933 16 K CB -0.085 32.240 32.500 -0.291 0.000 0.714 16 K HN 0.070 nan 8.250 nan 0.000 0.438 17 A N 1.037 123.636 122.820 -0.368 0.000 1.902 17 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 17 A C 2.321 179.845 177.584 -0.100 0.000 1.181 17 A CA 1.975 53.808 52.037 -0.339 0.000 0.623 17 A CB -0.861 17.826 19.000 -0.523 0.000 0.818 17 A HN 0.486 nan 8.150 nan 0.000 0.443 18 A N -0.635 122.178 122.820 -0.012 0.000 1.902 18 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 18 A C 2.121 179.823 177.584 0.198 0.000 1.181 18 A CA 1.729 53.853 52.037 0.146 0.000 0.623 18 A CB -0.618 18.498 19.000 0.193 0.000 0.818 18 A HN 0.673 nan 8.150 nan 0.000 0.443 19 L N -0.129 121.206 121.223 0.187 0.000 2.046 19 L HA -0.169 4.170 4.340 -0.000 0.000 0.208 19 L C 2.206 179.121 176.870 0.076 0.000 1.077 19 L CA 2.332 57.248 54.840 0.126 0.000 0.747 19 L CB -1.144 40.974 42.059 0.098 0.000 0.896 19 L HN 0.600 nan 8.230 nan 0.000 0.432 20 H N -1.455 117.584 119.070 -0.052 0.000 2.387 20 H HA -0.078 4.478 4.556 -0.000 0.000 0.299 20 H C 2.060 177.416 175.328 0.046 0.000 1.090 20 H CA 0.514 56.510 56.048 -0.086 0.000 1.332 20 H CB -0.188 29.618 29.762 0.073 0.000 1.386 20 H HN 0.532 nan 8.280 nan 0.000 0.516 21 G N 1.096 110.018 108.800 0.203 0.000 2.459 21 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.217 21 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.217 21 G C 1.653 176.642 174.900 0.149 0.000 1.183 21 G CA 0.742 45.956 45.100 0.191 0.000 0.776 21 G HN 0.207 nan 8.290 nan 0.000 0.552 22 L N -0.329 120.962 121.223 0.112 0.000 2.083 22 L HA 0.086 4.426 4.340 -0.000 0.000 0.209 22 L C 2.615 179.521 176.870 0.060 0.000 1.083 22 L CA 1.043 55.926 54.840 0.071 0.000 0.752 22 L CB -0.403 41.682 42.059 0.042 0.000 0.899 22 L HN 0.141 nan 8.230 nan 0.000 0.433 23 L N -0.241 120.996 121.223 0.023 0.000 1.994 23 L HA -0.236 4.103 4.340 -0.000 0.000 0.208 23 L C 2.311 179.249 176.870 0.113 0.000 1.071 23 L CA 1.580 56.410 54.840 -0.016 0.000 0.745 23 L CB -1.230 40.642 42.059 -0.311 0.000 0.892 23 L HN 0.343 nan 8.230 nan 0.000 0.431 24 N N -0.957 117.855 118.700 0.187 0.000 2.060 24 N HA -0.233 4.507 4.740 -0.000 0.000 0.195 24 N C 1.940 177.534 175.510 0.139 0.000 1.028 24 N CA 1.951 55.126 53.050 0.207 0.000 0.861 24 N CB -0.972 37.642 38.487 0.213 0.000 1.029 24 N HN 0.400 nan 8.380 nan 0.000 0.428 25 C N 0.309 119.675 119.300 0.110 0.000 2.432 25 C HA -0.013 4.447 4.460 -0.000 0.000 0.277 25 C C 2.813 177.869 174.990 0.109 0.000 1.249 25 C CA 0.060 59.118 59.018 0.066 0.000 1.725 25 C CB -1.253 26.509 27.740 0.036 0.000 2.028 25 C HN 0.458 nan 8.230 nan 0.000 0.477 26 L N 0.409 121.733 121.223 0.167 0.000 2.046 26 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 26 L C 2.307 179.320 176.870 0.238 0.000 1.077 26 L CA 1.739 56.742 54.840 0.272 0.000 0.747 26 L CB -0.323 41.837 42.059 0.167 0.000 0.896 26 L HN 0.325 nan 8.230 nan 0.000 0.432 27 I N -0.480 120.184 120.570 0.157 0.000 2.202 27 I HA -0.306 3.864 4.170 -0.000 0.000 0.242 27 I C 2.425 178.596 176.117 0.090 0.000 1.091 27 I CA 1.498 62.873 61.300 0.126 0.000 1.368 27 I CB -0.293 37.785 38.000 0.129 0.000 1.058 27 I HN 0.201 nan 8.210 nan 0.000 0.410 28 K N 0.554 120.995 120.400 0.068 0.000 2.062 28 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 28 K C 1.878 178.440 176.600 -0.064 0.000 1.051 28 K CA 1.288 57.588 56.287 0.021 0.000 0.941 28 K CB -0.037 32.480 32.500 0.028 0.000 0.719 28 K HN 0.372 nan 8.250 nan 0.000 0.440 29 E N -1.053 119.061 120.200 -0.143 0.000 2.340 29 E HA 0.021 4.371 4.350 -0.000 0.000 0.194 29 E C 0.994 177.242 176.600 -0.588 0.000 0.996 29 E CA 0.614 56.766 56.400 -0.413 0.000 0.869 29 E CB 0.303 29.652 29.700 -0.586 0.000 0.835 29 E HN 0.211 nan 8.360 nan 0.000 0.493 30 F N -0.283 119.681 119.950 0.023 0.000 2.268 30 F HA 0.300 4.827 4.527 -0.000 0.000 0.262 30 F C 2.211 178.026 175.800 0.026 0.000 0.910 30 F CA 0.167 58.200 58.000 0.055 0.000 1.142 30 F CB -0.395 38.694 39.000 0.147 0.000 1.229 30 F HN -0.083 nan 8.300 nan 0.000 0.781 31 A N 1.004 124.003 122.820 0.298 0.000 1.865 31 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 31 A C 2.094 179.689 177.584 0.018 0.000 1.191 31 A CA 1.974 54.130 52.037 0.197 0.000 0.623 31 A CB -1.163 17.935 19.000 0.162 0.000 0.826 31 A HN 0.389 nan 8.150 nan 0.000 0.444 32 I N 0.257 120.834 120.570 0.012 0.000 2.133 32 I HA -0.142 4.028 4.170 -0.000 0.000 0.238 32 I C -0.296 175.780 176.117 -0.067 0.000 1.074 32 I CA 1.533 62.819 61.300 -0.023 0.000 1.342 32 I CB -1.030 36.974 38.000 0.007 0.000 1.053 32 I HN 0.291 nan 8.210 nan 0.000 0.404 33 P HA -0.124 nan 4.420 nan 0.000 0.221 33 P C 0.971 178.179 177.300 -0.155 0.000 1.150 33 P CA 1.400 64.441 63.100 -0.100 0.000 0.800 33 P CB -0.037 31.607 31.700 -0.093 0.000 0.787 34 E N -0.942 119.105 120.200 -0.256 0.000 2.472 34 E HA 0.151 4.501 4.350 -0.000 0.000 0.196 34 E C 1.206 177.453 176.600 -0.589 0.000 1.033 34 E CA 0.584 56.696 56.400 -0.479 0.000 0.886 34 E CB -0.263 28.953 29.700 -0.807 0.000 0.944 34 E HN 0.267 nan 8.360 nan 0.000 0.492 35 G N 1.727 110.301 108.800 -0.377 0.000 2.212 35 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.255 35 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.255 35 G C 0.148 174.980 174.900 -0.112 0.000 1.062 35 G CA 0.183 45.161 45.100 -0.203 0.000 0.815 35 G HN 0.209 nan 8.290 nan 0.000 0.497 36 Y N -1.140 119.163 120.300 0.005 0.000 2.457 36 Y HA 0.488 5.038 4.550 -0.000 0.000 0.263 36 Y C 1.557 177.438 175.900 -0.032 0.000 1.164 36 Y CA -0.661 57.438 58.100 -0.002 0.000 1.274 36 Y CB 0.274 38.743 38.460 0.015 0.000 1.097 36 Y HN 0.441 nan 8.280 nan 0.000 0.523 37 L N 1.130 122.385 121.223 0.053 0.000 2.295 37 L HA 0.574 4.914 4.340 -0.000 0.000 0.285 37 L C -0.524 176.259 176.870 -0.145 0.000 1.035 37 L CA -0.430 54.361 54.840 -0.082 0.000 0.806 37 L CB 0.957 42.923 42.059 -0.154 0.000 1.214 37 L HN -0.038 nan 8.230 nan 0.000 0.426 38 R N 3.585 123.960 120.500 -0.209 0.000 2.673 38 R HA 0.310 4.650 4.340 -0.000 0.000 0.281 38 R C -1.706 174.415 176.300 -0.297 0.000 0.991 38 R CA -0.664 55.332 56.100 -0.173 0.000 0.896 38 R CB 1.804 32.076 30.300 -0.046 0.000 1.201 38 R HN 0.490 nan 8.270 nan 0.000 0.457 39 Y N 1.492 121.746 120.300 -0.077 0.000 2.821 39 Y HA 0.274 4.824 4.550 -0.000 0.000 0.331 39 Y C -0.024 175.767 175.900 -0.182 0.000 1.251 39 Y CA -0.086 57.928 58.100 -0.143 0.000 1.494 39 Y CB 0.581 38.966 38.460 -0.125 0.000 1.493 39 Y HN 0.384 nan 8.280 nan 0.000 0.496 40 E N 0.125 120.247 120.200 -0.129 0.000 2.433 40 E HA 0.284 4.634 4.350 -0.000 0.000 0.278 40 E C -1.532 174.926 176.600 -0.236 0.000 0.976 40 E CA -1.073 55.239 56.400 -0.147 0.000 0.793 40 E CB 1.731 31.426 29.700 -0.008 0.000 1.311 40 E HN 0.324 nan 8.360 nan 0.000 0.460 41 W N 2.086 123.356 121.300 -0.049 0.000 2.261 41 W HA 0.318 4.977 4.660 -0.000 0.000 0.323 41 W C -1.891 174.575 176.519 -0.089 0.000 1.243 41 W CA -1.344 55.924 57.345 -0.129 0.000 1.210 41 W CB 0.110 29.418 29.460 -0.253 0.000 1.149 41 W HN 0.278 nan 8.180 nan 0.000 0.562 42 P HA -0.012 nan 4.420 nan 0.000 0.271 42 P C 0.412 177.765 177.300 0.088 0.000 1.218 42 P CA 0.063 63.246 63.100 0.138 0.000 0.780 42 P CB 0.947 32.784 31.700 0.229 0.000 0.901 43 D N 0.104 120.553 120.400 0.082 0.000 2.144 43 D HA -0.121 4.519 4.640 -0.000 0.000 0.199 43 D C 0.460 176.772 176.300 0.021 0.000 0.984 43 D CA 1.639 55.661 54.000 0.038 0.000 0.834 43 D CB 0.215 41.033 40.800 0.030 0.000 0.955 43 D HN 0.429 nan 8.370 nan 0.000 0.465 44 E N 0.010 120.245 120.200 0.059 0.000 2.165 44 E HA 0.180 4.530 4.350 -0.000 0.000 0.266 44 E C 0.198 176.895 176.600 0.162 0.000 0.889 44 E CA -0.246 56.190 56.400 0.061 0.000 0.756 44 E CB 1.002 30.722 29.700 0.035 0.000 1.131 44 E HN -0.233 nan 8.360 nan 0.000 0.411 45 M N 2.783 122.414 119.600 0.052 0.000 2.371 45 M HA 0.148 4.628 4.480 -0.000 0.000 0.246 45 M C 0.388 176.756 176.300 0.113 0.000 1.103 45 M CA -0.039 55.234 55.300 -0.044 0.000 1.010 45 M CB -0.547 31.883 32.600 -0.283 0.000 1.457 45 M HN 0.359 nan 8.290 nan 0.000 0.486 46 K N 1.402 121.908 120.400 0.177 0.000 2.453 46 K HA 0.179 4.499 4.320 -0.000 0.000 0.280 46 K C 1.029 177.773 176.600 0.240 0.000 1.045 46 K CA 1.302 57.678 56.287 0.148 0.000 1.059 46 K CB 0.173 32.724 32.500 0.085 0.000 0.901 46 K HN 0.474 nan 8.250 nan 0.000 0.475 47 G N 4.000 112.915 108.800 0.191 0.000 2.307 47 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.210 47 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.210 47 G C 0.096 175.127 174.900 0.218 0.000 1.005 47 G CA -0.151 45.098 45.100 0.248 0.000 0.634 47 G HN 0.588 nan 8.290 nan 0.000 0.496 48 I N 4.343 124.922 120.570 0.015 0.000 2.352 48 I HA 0.335 4.505 4.170 -0.000 0.000 0.290 48 I C -1.570 174.549 176.117 0.003 0.000 1.036 48 I CA -1.993 59.134 61.300 -0.288 0.000 1.336 48 I CB 1.222 38.815 38.000 -0.678 0.000 1.407 48 I HN -0.006 nan 8.210 nan 0.000 0.497 49 P HA 0.173 nan 4.420 nan 0.000 0.274 49 P C -2.199 175.132 177.300 0.051 0.000 1.231 49 P CA -1.507 61.652 63.100 0.098 0.000 0.790 49 P CB 0.324 32.102 31.700 0.129 0.000 0.951 50 P HA -0.138 nan 4.420 nan 0.000 0.218 50 P C 1.590 178.744 177.300 -0.244 0.000 1.149 50 P CA 1.591 64.509 63.100 -0.303 0.000 0.817 50 P CB -0.561 31.081 31.700 -0.097 0.000 0.785 51 G N 0.200 108.978 108.800 -0.036 0.000 2.498 51 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.219 51 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.219 51 G C 1.697 176.632 174.900 0.058 0.000 1.119 51 G CA 0.770 45.877 45.100 0.011 0.000 0.766 51 G HN 0.370 nan 8.290 nan 0.000 0.552 52 A N 0.605 123.484 122.820 0.098 0.000 1.898 52 A HA 0.082 4.402 4.320 -0.000 0.000 0.216 52 A C 2.049 179.837 177.584 0.340 0.000 1.181 52 A CA 1.652 53.838 52.037 0.248 0.000 0.620 52 A CB -0.408 18.756 19.000 0.274 0.000 0.819 52 A HN 0.777 nan 8.150 nan 0.000 0.442 53 Y N -4.867 115.626 120.300 0.323 0.000 2.500 53 Y HA 0.644 5.194 4.550 -0.000 0.000 0.246 53 Y C 0.022 176.299 175.900 0.629 0.000 1.146 53 Y CA -1.655 56.732 58.100 0.478 0.000 1.230 53 Y CB -0.020 38.809 38.460 0.616 0.000 1.214 53 Y HN 0.099 nan 8.280 nan 0.000 0.526 54 F N 3.172 123.119 119.950 -0.005 0.000 2.557 54 F HA 0.431 4.958 4.527 -0.000 0.000 0.316 54 F C -0.459 175.318 175.800 -0.039 0.000 1.141 54 F CA -1.760 56.250 58.000 0.016 0.000 0.922 54 F CB 1.607 40.520 39.000 -0.145 0.000 1.194 54 F HN 0.061 nan 8.300 nan 0.000 0.443 55 D N 2.241 122.193 120.400 -0.748 0.000 2.395 55 D HA 0.323 4.963 4.640 -0.000 0.000 0.213 55 D C 1.425 177.241 176.300 -0.807 0.000 1.110 55 D CA 0.562 54.213 54.000 -0.583 0.000 0.835 55 D CB 0.596 41.238 40.800 -0.264 0.000 0.965 55 D HN 0.977 nan 8.370 nan 0.000 0.505 56 G N -0.398 107.381 108.800 -1.702 0.000 2.254 56 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.225 56 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.225 56 G C 1.088 175.706 174.900 -0.470 0.000 1.003 56 G CA 0.189 44.712 45.100 -0.960 0.000 0.622 56 G HN 0.799 nan 8.290 nan 0.000 0.507 57 A N -0.882 121.667 122.820 -0.451 0.000 1.988 57 A HA 0.609 4.929 4.320 -0.000 0.000 0.201 57 A C 0.673 178.179 177.584 -0.129 0.000 1.410 57 A CA 2.006 53.934 52.037 -0.181 0.000 0.832 57 A CB 0.495 19.406 19.000 -0.149 0.000 0.981 57 A HN 0.707 nan 8.150 nan 0.000 0.492 58 D N -3.486 116.803 120.400 -0.186 0.000 2.692 58 D HA 0.400 5.040 4.640 -0.000 0.000 0.303 58 D C -1.541 174.731 176.300 -0.046 0.000 1.278 58 D CA -0.746 53.142 54.000 -0.187 0.000 0.852 58 D CB 0.289 41.037 40.800 -0.086 0.000 1.375 58 D HN 0.242 nan 8.370 nan 0.000 0.453 59 W N 1.258 122.746 121.300 0.313 0.000 2.181 59 W HA 0.277 4.937 4.660 -0.000 0.000 0.335 59 W C 0.733 177.410 176.519 0.264 0.000 1.310 59 W CA -0.552 57.034 57.345 0.401 0.000 1.226 59 W CB 0.453 30.239 29.460 0.544 0.000 1.155 59 W HN -0.025 nan 8.180 nan 0.000 0.565 60 K N 4.035 124.747 120.400 0.520 0.000 2.121 60 K HA 0.247 4.567 4.320 -0.000 0.000 0.235 60 K C 0.849 177.605 176.600 0.259 0.000 1.200 60 K CA 0.503 56.965 56.287 0.292 0.000 1.115 60 K CB -0.415 32.231 32.500 0.243 0.000 1.474 60 K HN 0.820 nan 8.250 nan 0.000 0.295 61 G N 2.461 111.399 108.800 0.229 0.000 2.514 61 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.265 61 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.265 61 G C -0.248 174.750 174.900 0.164 0.000 1.150 61 G CA -0.512 44.680 45.100 0.154 0.000 0.959 61 G HN 0.466 nan 8.290 nan 0.000 0.556 62 I N 2.711 123.301 120.570 0.034 0.000 2.582 62 I HA 0.433 4.603 4.170 -0.000 0.000 0.292 62 I C -2.237 173.738 176.117 -0.237 0.000 1.066 62 I CA -2.181 59.074 61.300 -0.075 0.000 1.053 62 I CB 2.736 40.696 38.000 -0.066 0.000 1.241 62 I HN 0.365 nan 8.210 nan 0.000 0.421 63 P HA 0.149 nan 4.420 nan 0.000 0.275 63 P C -1.115 175.957 177.300 -0.381 0.000 1.227 63 P CA -0.324 62.358 63.100 -0.697 0.000 0.781 63 P CB 1.256 32.173 31.700 -1.304 0.000 0.906 64 M N 4.111 123.448 119.600 -0.438 0.000 2.190 64 M HA 0.392 4.871 4.480 -0.000 0.000 0.312 64 M C -1.223 174.923 176.300 -0.256 0.000 0.990 64 M CA -0.647 54.455 55.300 -0.330 0.000 0.927 64 M CB 1.198 33.648 32.600 -0.251 0.000 1.571 64 M HN 0.191 nan 8.290 nan 0.000 0.427 65 M N 6.537 126.041 119.600 -0.161 0.000 2.167 65 M HA 0.488 4.968 4.480 -0.000 0.000 0.333 65 M C -1.190 175.103 176.300 -0.011 0.000 1.030 65 M CA -0.316 54.986 55.300 0.002 0.000 0.963 65 M CB 1.373 34.005 32.600 0.054 0.000 1.589 65 M HN 0.677 nan 8.290 nan 0.000 0.431 66 I N 2.320 122.924 120.570 0.056 0.000 2.382 66 I HA 0.403 4.573 4.170 -0.000 0.000 0.285 66 I C 0.592 176.748 176.117 0.064 0.000 1.007 66 I CA -0.560 60.775 61.300 0.058 0.000 1.142 66 I CB 1.858 39.891 38.000 0.054 0.000 1.289 66 I HN 0.756 nan 8.210 nan 0.000 0.453 67 G N 7.723 116.549 108.800 0.044 0.000 2.547 67 G HA2 0.609 4.569 3.960 -0.000 0.000 0.327 67 G HA3 0.609 4.569 3.960 -0.000 0.000 0.327 67 G C -0.463 174.323 174.900 -0.190 0.000 1.118 67 G CA -0.364 44.724 45.100 -0.021 0.000 1.022 67 G HN 0.409 nan 8.290 nan 0.000 0.464 68 L N 3.696 124.759 121.223 -0.267 0.000 2.399 68 L HA 0.335 4.674 4.340 -0.000 0.000 0.266 68 L C -0.893 175.733 176.870 -0.406 0.000 1.114 68 L CA -1.993 52.547 54.840 -0.500 0.000 0.804 68 L CB 2.127 43.986 42.059 -0.332 0.000 1.146 68 L HN 0.324 nan 8.230 nan 0.000 0.451 69 P HA -0.128 nan 4.420 nan 0.000 0.230 69 P C 0.312 177.507 177.300 -0.176 0.000 1.158 69 P CA 0.830 63.779 63.100 -0.252 0.000 0.769 69 P CB 0.009 31.598 31.700 -0.186 0.000 0.807 70 D N -0.809 119.486 120.400 -0.175 0.000 2.328 70 D HA -0.054 4.586 4.640 -0.000 0.000 0.221 70 D C 0.684 176.906 176.300 -0.129 0.000 1.072 70 D CA -0.134 53.773 54.000 -0.154 0.000 0.850 70 D CB -0.440 40.292 40.800 -0.113 0.000 0.922 70 D HN 0.120 nan 8.370 nan 0.000 0.516 71 Q N -1.548 118.172 119.800 -0.134 0.000 2.385 71 Q HA -0.204 4.136 4.340 -0.000 0.000 0.215 71 Q C -0.327 175.604 176.000 -0.114 0.000 0.671 71 Q CA 0.294 56.026 55.803 -0.117 0.000 1.335 71 Q CB -1.661 27.013 28.738 -0.107 0.000 1.425 71 Q HN 0.349 nan 8.270 nan 0.000 0.781 72 L N 2.024 123.185 121.223 -0.105 0.000 2.410 72 L HA 0.118 4.457 4.340 -0.000 0.000 0.273 72 L C 0.095 176.927 176.870 -0.063 0.000 1.144 72 L CA 1.150 55.940 54.840 -0.083 0.000 0.863 72 L CB 0.732 42.752 42.059 -0.064 0.000 1.140 72 L HN 0.033 nan 8.230 nan 0.000 0.463 73 Q N 4.810 124.585 119.800 -0.041 0.000 2.309 73 Q HA 0.581 4.921 4.340 -0.000 0.000 0.264 73 Q C -1.321 174.842 176.000 0.272 0.000 1.008 73 Q CA -0.680 55.168 55.803 0.075 0.000 0.853 73 Q CB 2.690 31.446 28.738 0.030 0.000 1.314 73 Q HN 0.668 nan 8.270 nan 0.000 0.448 74 L N 2.827 124.247 121.223 0.328 0.000 2.365 74 L HA 0.652 4.992 4.340 -0.000 0.000 0.273 74 L C -1.712 175.372 176.870 0.356 0.000 1.000 74 L CA -0.811 54.242 54.840 0.356 0.000 0.819 74 L CB 1.147 43.300 42.059 0.156 0.000 1.284 74 L HN 0.650 nan 8.230 nan 0.000 0.418 75 F N 5.587 125.600 119.950 0.106 0.000 2.540 75 F HA 0.771 5.298 4.527 -0.000 0.000 0.317 75 F C -1.523 174.254 175.800 -0.039 0.000 1.104 75 F CA -0.504 57.402 58.000 -0.157 0.000 0.913 75 F CB 1.820 40.373 39.000 -0.744 0.000 1.170 75 F HN 0.245 nan 8.300 nan 0.000 0.450 76 V N 7.120 126.472 119.914 -0.938 0.000 3.048 76 V HA 0.473 4.593 4.120 -0.000 0.000 0.303 76 V C -1.459 174.181 176.094 -0.757 0.000 1.214 76 V CA -0.868 61.059 62.300 -0.621 0.000 0.984 76 V CB 2.362 34.090 31.823 -0.157 0.000 1.054 76 V HN 0.762 nan 8.190 nan 0.000 0.430 77 M N 5.572 124.925 119.600 -0.412 0.000 2.233 77 M HA 0.587 5.067 4.480 -0.000 0.000 0.355 77 M C -0.345 175.918 176.300 -0.062 0.000 1.191 77 M CA -0.264 54.904 55.300 -0.220 0.000 1.101 77 M CB 1.015 33.620 32.600 0.010 0.000 1.592 77 M HN 0.706 nan 8.290 nan 0.000 0.461 78 V N 0.603 120.480 119.914 -0.062 0.000 3.001 78 V HA 0.596 4.715 4.120 -0.000 0.000 0.314 78 V C 0.319 176.397 176.094 -0.027 0.000 1.099 78 V CA -0.827 61.442 62.300 -0.052 0.000 0.989 78 V CB 2.020 33.808 31.823 -0.058 0.000 1.040 78 V HN 0.850 nan 8.190 nan 0.000 0.434 79 D N 0.679 121.060 120.400 -0.032 0.000 2.340 79 D HA 0.090 4.730 4.640 -0.000 0.000 0.220 79 D C 0.533 176.819 176.300 -0.023 0.000 1.039 79 D CA 0.320 54.319 54.000 -0.002 0.000 0.866 79 D CB 0.287 41.104 40.800 0.028 0.000 0.913 79 D HN 0.908 nan 8.370 nan 0.000 0.523 80 R N -1.457 119.008 120.500 -0.058 0.000 2.709 80 R HA 0.418 4.758 4.340 -0.000 0.000 0.270 80 R C -1.409 174.788 176.300 -0.171 0.000 1.038 80 R CA -0.932 55.108 56.100 -0.099 0.000 0.872 80 R CB 0.874 31.135 30.300 -0.065 0.000 1.259 80 R HN -0.239 nan 8.270 nan 0.000 0.473 81 R N 1.210 121.517 120.500 -0.322 0.000 2.221 81 R HA 0.258 4.598 4.340 -0.000 0.000 0.327 81 R C -1.167 174.998 176.300 -0.224 0.000 1.033 81 R CA -0.495 55.294 56.100 -0.518 0.000 0.887 81 R CB 0.970 30.792 30.300 -0.797 0.000 1.057 81 R HN 0.610 nan 8.270 nan 0.000 0.455 82 D N 0.756 121.102 120.400 -0.089 0.000 2.896 82 D HA 0.073 4.713 4.640 -0.000 0.000 0.241 82 D C 0.973 177.232 176.300 -0.069 0.000 1.188 82 D CA -0.502 53.447 54.000 -0.085 0.000 0.879 82 D CB 1.660 42.450 40.800 -0.018 0.000 1.553 82 D HN 0.483 nan 8.370 nan 0.000 0.515 83 T N 0.824 115.240 114.554 -0.231 0.000 2.915 83 T HA -0.103 4.247 4.350 -0.000 0.000 0.269 83 T C 1.393 176.063 174.700 -0.050 0.000 1.071 83 T CA 0.735 62.700 62.100 -0.226 0.000 1.132 83 T CB -0.249 68.343 68.868 -0.460 0.000 0.878 83 T HN 0.312 nan 8.240 nan 0.000 0.479 84 F N 2.098 121.963 119.950 -0.141 0.000 2.797 84 F HA 0.462 4.989 4.527 -0.000 0.000 0.302 84 F C 2.030 177.825 175.800 -0.007 0.000 1.130 84 F CA -1.081 56.872 58.000 -0.078 0.000 1.387 84 F CB -0.962 37.997 39.000 -0.068 0.000 1.107 84 F HN 0.426 nan 8.300 nan 0.000 0.577 85 G N 0.705 109.603 108.800 0.163 0.000 2.221 85 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.265 85 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.265 85 G C 0.140 175.090 174.900 0.083 0.000 1.041 85 G CA 0.358 45.526 45.100 0.115 0.000 0.807 85 G HN 0.269 nan 8.290 nan 0.000 0.502 86 S N 1.236 116.984 115.700 0.080 0.000 2.420 86 S HA 0.659 5.129 4.470 -0.000 0.000 0.313 86 S C 0.040 174.567 174.600 -0.121 0.000 1.079 86 S CA -0.248 57.952 58.200 -0.000 0.000 1.104 86 S CB 1.442 64.698 63.200 0.093 0.000 0.969 86 S HN 0.864 nan 8.310 nan 0.000 0.471 87 Q N 2.541 122.155 119.800 -0.310 0.000 2.527 87 Q HA 0.287 4.627 4.340 -0.000 0.000 0.280 87 Q C -1.672 173.918 176.000 -0.683 0.000 0.977 87 Q CA -0.826 54.741 55.803 -0.394 0.000 0.837 87 Q CB 0.676 29.241 28.738 -0.289 0.000 1.454 87 Q HN 0.597 nan 8.270 nan 0.000 0.387 88 H N 1.590 120.442 119.070 -0.364 0.000 2.646 88 H HA 0.278 4.834 4.556 -0.000 0.000 0.325 88 H C -0.702 174.361 175.328 -0.441 0.000 1.075 88 H CA 0.044 55.877 56.048 -0.358 0.000 1.421 88 H CB 0.451 30.121 29.762 -0.154 0.000 1.461 88 H HN 0.454 nan 8.280 nan 0.000 0.525 89 Y N 2.529 122.743 120.300 -0.143 0.000 2.365 89 Y HA 0.054 4.603 4.550 -0.000 0.000 0.340 89 Y C 1.299 177.178 175.900 -0.034 0.000 1.016 89 Y CA -0.397 57.595 58.100 -0.180 0.000 1.196 89 Y CB 0.694 38.881 38.460 -0.454 0.000 1.167 89 Y HN 0.470 nan 8.280 nan 0.000 0.509 90 L N 2.399 123.699 121.223 0.129 0.000 2.640 90 L HA 0.184 4.524 4.340 -0.000 0.000 0.230 90 L C 0.425 177.389 176.870 0.156 0.000 1.123 90 L CA 0.084 54.998 54.840 0.123 0.000 0.900 90 L CB -0.050 42.066 42.059 0.094 0.000 1.146 90 L HN 0.661 nan 8.230 nan 0.000 0.484 91 S N -3.071 112.736 115.700 0.178 0.000 2.685 91 S HA 0.429 4.899 4.470 -0.000 0.000 0.282 91 S C -0.922 173.819 174.600 0.236 0.000 1.159 91 S CA -1.041 57.290 58.200 0.219 0.000 0.833 91 S CB 2.118 65.468 63.200 0.250 0.000 1.151 91 S HN -0.105 nan 8.310 nan 0.000 0.485 92 D N 0.810 121.375 120.400 0.276 0.000 2.368 92 D HA 0.317 4.957 4.640 -0.000 0.000 0.240 92 D C -0.083 176.352 176.300 0.226 0.000 1.169 92 D CA -0.026 54.096 54.000 0.202 0.000 0.906 92 D CB 0.884 41.758 40.800 0.123 0.000 1.187 92 D HN 0.403 nan 8.370 nan 0.000 0.435 93 V N 2.113 122.070 119.914 0.070 0.000 2.530 93 V HA 0.098 4.218 4.120 -0.000 0.000 0.282 93 V C -0.393 175.708 176.094 0.012 0.000 1.048 93 V CA -0.168 62.180 62.300 0.079 0.000 0.997 93 V CB -0.048 31.779 31.823 0.007 0.000 0.987 93 V HN 0.346 nan 8.190 nan 0.000 0.477 94 Y N 4.649 125.060 120.300 0.184 0.000 2.352 94 Y HA 0.629 5.179 4.550 -0.000 0.000 0.339 94 Y C 0.085 176.257 175.900 0.453 0.000 0.992 94 Y CA -0.678 57.596 58.100 0.290 0.000 1.100 94 Y CB 1.694 40.291 38.460 0.229 0.000 1.192 94 Y HN 0.398 nan 8.280 nan 0.000 0.458 95 L N 4.160 125.686 121.223 0.505 0.000 2.334 95 L HA 0.673 5.013 4.340 -0.000 0.000 0.276 95 L C -0.496 176.543 176.870 0.282 0.000 1.014 95 L CA -0.945 54.122 54.840 0.379 0.000 0.815 95 L CB 2.221 44.370 42.059 0.149 0.000 1.268 95 L HN 0.568 nan 8.230 nan 0.000 0.428 96 R N 2.051 122.529 120.500 -0.037 0.000 2.538 96 R HA 0.404 4.744 4.340 -0.000 0.000 0.292 96 R C -1.133 175.005 176.300 -0.270 0.000 1.008 96 R CA -0.467 55.393 56.100 -0.400 0.000 0.896 96 R CB 2.089 31.614 30.300 -1.291 0.000 1.187 96 R HN 0.661 nan 8.270 nan 0.000 0.440 97 Q N 1.547 121.228 119.800 -0.198 0.000 2.169 97 Q HA 0.541 4.880 4.340 -0.000 0.000 0.234 97 Q C 0.114 176.013 176.000 -0.168 0.000 0.980 97 Q CA -0.687 55.027 55.803 -0.148 0.000 0.941 97 Q CB 1.375 30.054 28.738 -0.098 0.000 1.199 97 Q HN 0.743 nan 8.270 nan 0.000 0.496 101 D N -0.585 119.733 120.400 -0.137 0.000 2.440 101 D HA 0.442 5.081 4.640 -0.000 0.000 0.258 101 D C -0.584 175.644 176.300 -0.119 0.000 1.092 101 D CA -0.174 53.745 54.000 -0.134 0.000 1.016 101 D CB 1.049 41.850 40.800 0.002 0.000 1.141 101 D HN 0.347 nan 8.370 nan 0.000 0.552 102 W N 0.974 122.307 121.300 0.054 0.000 2.253 102 W HA 0.210 4.870 4.660 -0.000 0.000 0.322 102 W C 0.638 177.274 176.519 0.195 0.000 1.342 102 W CA -0.210 57.213 57.345 0.130 0.000 1.218 102 W CB 0.410 29.939 29.460 0.114 0.000 1.205 102 W HN -0.061 nan 8.180 nan 0.000 0.551 103 Q N 2.440 122.506 119.800 0.443 0.000 2.413 103 Q HA 0.489 4.828 4.340 -0.000 0.000 0.276 103 Q C -1.231 174.852 176.000 0.139 0.000 1.099 103 Q CA -1.100 54.865 55.803 0.270 0.000 0.814 103 Q CB 2.381 31.198 28.738 0.132 0.000 1.379 103 Q HN 0.447 nan 8.270 nan 0.000 0.436 104 C N 3.440 122.713 119.300 -0.046 0.000 2.248 104 C HA 0.474 4.934 4.460 -0.000 0.000 0.320 104 C C -2.064 172.867 174.990 -0.098 0.000 1.065 104 C CA -1.621 57.222 59.018 -0.292 0.000 1.558 104 C CB -0.788 26.642 27.740 -0.518 0.000 1.787 104 C HN 0.591 nan 8.230 nan 0.000 0.426 105 P HA 0.260 nan 4.420 nan 0.000 0.274 105 P C -0.164 177.134 177.300 -0.004 0.000 1.237 105 P CA 0.124 63.216 63.100 -0.013 0.000 0.793 105 P CB 0.732 32.427 31.700 -0.009 0.000 0.977 106 D N 0.052 120.467 120.400 0.026 0.000 2.346 106 D HA -0.079 4.561 4.640 -0.000 0.000 0.236 106 D C 1.121 177.475 176.300 0.090 0.000 1.259 106 D CA -0.118 53.922 54.000 0.067 0.000 0.898 106 D CB 0.072 40.917 40.800 0.075 0.000 1.178 106 D HN 0.323 nan 8.370 nan 0.000 0.457 107 F N 0.829 120.777 119.950 -0.002 0.000 2.065 107 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 107 F C 2.059 177.872 175.800 0.021 0.000 1.112 107 F CA 1.827 59.826 58.000 -0.002 0.000 1.212 107 F CB 0.058 39.052 39.000 -0.010 0.000 0.975 107 F HN 0.394 nan 8.300 nan 0.000 0.476 108 E N -0.039 120.195 120.200 0.057 0.000 2.047 108 E HA -0.151 4.198 4.350 -0.000 0.000 0.191 108 E C -0.381 176.222 176.600 0.005 0.000 0.987 108 E CA 1.324 57.724 56.400 -0.000 0.000 0.799 108 E CB -1.315 28.476 29.700 0.153 0.000 0.752 108 E HN 0.361 nan 8.360 nan 0.000 0.449 109 P HA -0.170 nan 4.420 nan 0.000 0.218 109 P C 1.469 178.742 177.300 -0.045 0.000 1.148 109 P CA 0.996 64.094 63.100 -0.003 0.000 0.822 109 P CB 0.042 31.745 31.700 0.005 0.000 0.784 110 L N -0.852 120.320 121.223 -0.086 0.000 2.044 110 L HA -0.124 4.216 4.340 -0.000 0.000 0.205 110 L C 2.186 178.970 176.870 -0.143 0.000 1.075 110 L CA 1.352 56.128 54.840 -0.107 0.000 0.747 110 L CB -0.676 41.313 42.059 -0.117 0.000 0.903 110 L HN -0.198 nan 8.230 nan 0.000 0.435 111 V N 0.383 120.142 119.914 -0.258 0.000 2.282 111 V HA -0.360 3.760 4.120 -0.000 0.000 0.249 111 V C 2.802 178.895 176.094 -0.002 0.000 1.057 111 V CA 1.832 64.007 62.300 -0.208 0.000 1.032 111 V CB -1.215 30.362 31.823 -0.411 0.000 0.645 111 V HN 0.613 nan 8.190 nan 0.000 0.447 112 A N -0.133 122.727 122.820 0.066 0.000 1.865 112 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 112 A C 2.406 179.919 177.584 -0.118 0.000 1.191 112 A CA 2.023 54.016 52.037 -0.075 0.000 0.623 112 A CB -0.529 18.378 19.000 -0.155 0.000 0.826 112 A HN 0.496 nan 8.150 nan 0.000 0.444 113 R N -0.804 119.643 120.500 -0.088 0.000 2.073 113 R HA -0.033 4.307 4.340 -0.000 0.000 0.234 113 R C 2.202 178.449 176.300 -0.087 0.000 1.134 113 R CA 1.383 57.434 56.100 -0.083 0.000 0.952 113 R CB -0.662 29.605 30.300 -0.056 0.000 0.850 113 R HN 0.521 nan 8.270 nan 0.000 0.433 114 L N 0.650 121.826 121.223 -0.077 0.000 2.042 114 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 114 L C 2.495 179.305 176.870 -0.101 0.000 1.076 114 L CA 0.856 55.648 54.840 -0.078 0.000 0.749 114 L CB -0.376 41.645 42.059 -0.064 0.000 0.893 114 L HN 0.182 nan 8.230 nan 0.000 0.432 115 L N -0.041 121.130 121.223 -0.087 0.000 2.056 115 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 115 L C 2.615 179.382 176.870 -0.171 0.000 1.078 115 L CA 1.989 56.774 54.840 -0.091 0.000 0.749 115 L CB -0.765 41.283 42.059 -0.020 0.000 0.901 115 L HN 0.143 nan 8.230 nan 0.000 0.433 116 A N -0.558 122.139 122.820 -0.206 0.000 1.978 116 A HA -0.125 4.194 4.320 -0.000 0.000 0.220 116 A C 2.440 179.785 177.584 -0.399 0.000 1.170 116 A CA 1.784 53.623 52.037 -0.329 0.000 0.636 116 A CB -1.058 17.782 19.000 -0.266 0.000 0.810 116 A HN 0.569 nan 8.150 nan 0.000 0.448 117 A N -0.994 121.697 122.820 -0.215 0.000 1.873 117 A HA -0.156 4.164 4.320 -0.000 0.000 0.215 117 A C 2.298 179.731 177.584 -0.252 0.000 1.186 117 A CA 1.643 53.586 52.037 -0.157 0.000 0.616 117 A CB -1.244 17.671 19.000 -0.140 0.000 0.823 117 A HN 0.602 nan 8.150 nan 0.000 0.442 118 C N -0.528 118.579 119.300 -0.321 0.000 2.440 118 C HA -0.066 4.394 4.460 -0.000 0.000 0.278 118 C C 2.605 177.396 174.990 -0.332 0.000 1.295 118 C CA 1.073 59.794 59.018 -0.495 0.000 1.738 118 C CB -1.318 26.183 27.740 -0.397 0.000 1.987 118 C HN 0.674 nan 8.230 nan 0.000 0.492 119 E N -0.261 119.786 120.200 -0.255 0.000 2.110 119 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 119 E C 1.888 178.397 176.600 -0.152 0.000 0.988 119 E CA 0.999 57.277 56.400 -0.204 0.000 0.804 119 E CB -0.199 29.342 29.700 -0.266 0.000 0.745 119 E HN 0.713 nan 8.360 nan 0.000 0.458 120 H N 0.112 119.108 119.070 -0.123 0.000 2.457 120 H HA -0.032 4.524 4.556 -0.000 0.000 0.294 120 H C 2.062 177.331 175.328 -0.098 0.000 1.064 120 H CA 0.824 56.809 56.048 -0.105 0.000 1.330 120 H CB -0.028 29.663 29.762 -0.119 0.000 1.395 120 H HN 0.207 nan 8.280 nan 0.000 0.541 121 I N 0.172 120.723 120.570 -0.033 0.000 2.188 121 I HA -0.152 4.018 4.170 -0.000 0.000 0.237 121 I C 2.752 178.898 176.117 0.049 0.000 1.073 121 I CA 0.958 62.247 61.300 -0.020 0.000 1.359 121 I CB -0.435 37.482 38.000 -0.138 0.000 1.083 121 I HN 0.103 nan 8.210 nan 0.000 0.412 122 A N 0.208 123.053 122.820 0.042 0.000 1.986 122 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 122 A C 2.126 179.748 177.584 0.064 0.000 1.171 122 A CA 2.125 54.224 52.037 0.104 0.000 0.640 122 A CB -1.079 17.990 19.000 0.115 0.000 0.811 122 A HN 0.743 nan 8.150 nan 0.000 0.451 123 G N -2.202 106.623 108.800 0.042 0.000 2.279 123 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.223 123 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.223 123 G C 0.472 175.386 174.900 0.024 0.000 1.015 123 G CA 0.387 45.512 45.100 0.040 0.000 0.621 123 G HN 0.725 nan 8.290 nan 0.000 0.506 124 R N 1.093 121.600 120.500 0.012 0.000 2.460 124 R HA 0.582 4.922 4.340 -0.000 0.000 0.303 124 R C -0.086 176.200 176.300 -0.024 0.000 0.968 124 R CA -0.649 55.451 56.100 0.000 0.000 0.889 124 R CB 0.733 31.039 30.300 0.010 0.000 1.123 124 R HN 0.210 nan 8.270 nan 0.000 0.455 125 K N 1.885 122.265 120.400 -0.033 0.000 2.087 125 K HA 0.214 4.534 4.320 -0.000 0.000 0.255 125 K C -0.257 176.325 176.600 -0.031 0.000 0.988 125 K CA -0.729 55.525 56.287 -0.055 0.000 0.915 125 K CB 0.800 33.260 32.500 -0.066 0.000 1.043 125 K HN 0.351 nan 8.250 nan 0.000 0.457 126 N N 2.093 120.775 118.700 -0.030 0.000 2.685 126 N HA 0.140 4.880 4.740 -0.000 0.000 0.252 126 N C -2.275 173.245 175.510 0.017 0.000 1.261 126 N CA -1.528 51.520 53.050 -0.003 0.000 0.768 126 N CB 1.115 39.604 38.487 0.003 0.000 1.304 126 N HN 0.252 nan 8.380 nan 0.000 0.536 127 P HA -0.088 nan 4.420 nan 0.000 0.219 127 P C 1.055 178.411 177.300 0.094 0.000 1.150 127 P CA 0.822 63.949 63.100 0.045 0.000 0.814 127 P CB 0.769 32.481 31.700 0.019 0.000 0.787 128 E N -0.166 120.071 120.200 0.060 0.000 2.097 128 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 128 E C 1.984 178.622 176.600 0.063 0.000 1.000 128 E CA 0.887 57.321 56.400 0.056 0.000 0.804 128 E CB -0.492 29.228 29.700 0.033 0.000 0.740 128 E HN 0.009 nan 8.360 nan 0.000 0.454 129 L N 0.368 121.628 121.223 0.062 0.000 2.046 129 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 129 L C 2.190 179.108 176.870 0.080 0.000 1.077 129 L CA 1.915 56.788 54.840 0.056 0.000 0.747 129 L CB -0.992 41.090 42.059 0.039 0.000 0.896 129 L HN 0.301 nan 8.230 nan 0.000 0.432 130 Y N 0.310 120.605 120.300 -0.009 0.000 2.165 130 Y HA -0.231 4.319 4.550 -0.000 0.000 0.286 130 Y C 2.434 178.344 175.900 0.017 0.000 1.155 130 Y CA 2.129 60.223 58.100 -0.010 0.000 1.164 130 Y CB -0.081 38.363 38.460 -0.027 0.000 0.978 130 Y HN 0.278 nan 8.280 nan 0.000 0.513 131 E N 0.247 120.441 120.200 -0.010 0.000 2.152 131 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 131 E C 2.106 178.669 176.600 -0.062 0.000 0.983 131 E CA 1.157 57.512 56.400 -0.076 0.000 0.818 131 E CB -0.190 29.532 29.700 0.037 0.000 0.758 131 E HN 0.701 nan 8.360 nan 0.000 0.467 132 Q N 0.083 119.874 119.800 -0.015 0.000 2.084 132 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 132 Q C 2.367 178.375 176.000 0.015 0.000 0.978 132 Q CA 1.025 56.835 55.803 0.012 0.000 0.844 132 Q CB -0.119 28.639 28.738 0.034 0.000 0.898 132 Q HN 0.305 nan 8.270 nan 0.000 0.426 133 I N 0.239 120.800 120.570 -0.015 0.000 2.179 133 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 133 I C 1.919 178.062 176.117 0.044 0.000 1.088 133 I CA 0.791 62.102 61.300 0.018 0.000 1.357 133 I CB -0.203 37.778 38.000 -0.032 0.000 1.051 133 I HN 0.180 nan 8.210 nan 0.000 0.409 134 L N 0.250 121.426 121.223 -0.078 0.000 2.017 134 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 134 L C 2.541 179.425 176.870 0.023 0.000 1.073 134 L CA 1.747 56.579 54.840 -0.013 0.000 0.745 134 L CB -1.293 40.661 42.059 -0.175 0.000 0.894 134 L HN 0.340 nan 8.230 nan 0.000 0.432 135 Q N -0.834 118.970 119.800 0.007 0.000 2.084 135 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 135 Q C 2.418 178.450 176.000 0.054 0.000 0.978 135 Q CA 2.121 57.944 55.803 0.032 0.000 0.844 135 Q CB -0.105 28.654 28.738 0.036 0.000 0.898 135 Q HN 0.498 nan 8.270 nan 0.000 0.426 136 S N 0.026 115.765 115.700 0.065 0.000 2.356 136 S HA -0.197 4.273 4.470 -0.000 0.000 0.223 136 S C 1.913 176.560 174.600 0.079 0.000 1.032 136 S CA 1.597 59.848 58.200 0.086 0.000 1.005 136 S CB -0.273 62.990 63.200 0.105 0.000 0.867 136 S HN 0.466 nan 8.310 nan 0.000 0.449 137 Q N 0.974 120.810 119.800 0.061 0.000 2.084 137 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 137 Q C 2.301 178.270 176.000 -0.053 0.000 0.978 137 Q CA 1.419 57.202 55.803 -0.033 0.000 0.844 137 Q CB -0.336 28.293 28.738 -0.182 0.000 0.898 137 Q HN 0.598 nan 8.270 nan 0.000 0.426 138 R N -0.047 120.441 120.500 -0.020 0.000 2.081 138 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 138 R C 2.441 178.761 176.300 0.034 0.000 1.131 138 R CA 1.238 57.335 56.100 -0.005 0.000 0.960 138 R CB -0.377 29.930 30.300 0.011 0.000 0.856 138 R HN 0.208 nan 8.270 nan 0.000 0.436 139 L N 0.697 121.960 121.223 0.066 0.000 2.056 139 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 139 L C 2.092 179.033 176.870 0.117 0.000 1.078 139 L CA 1.487 56.398 54.840 0.118 0.000 0.749 139 L CB -0.302 41.844 42.059 0.145 0.000 0.901 139 L HN -0.104 nan 8.230 nan 0.000 0.433 140 V N -1.288 118.675 119.914 0.082 0.000 2.407 140 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 140 V C 2.748 178.851 176.094 0.015 0.000 1.055 140 V CA 1.722 64.057 62.300 0.059 0.000 1.049 140 V CB -0.814 31.091 31.823 0.137 0.000 0.662 140 V HN 0.591 nan 8.190 nan 0.000 0.455 141 S N -0.016 115.690 115.700 0.009 0.000 2.359 141 S HA -0.226 4.244 4.470 -0.000 0.000 0.224 141 S C 2.142 176.743 174.600 0.001 0.000 1.035 141 S CA 1.772 59.963 58.200 -0.014 0.000 1.018 141 S CB -0.355 62.826 63.200 -0.032 0.000 0.876 141 S HN 0.638 nan 8.310 nan 0.000 0.448 142 A N 0.877 123.736 122.820 0.064 0.000 1.969 142 A HA 0.057 4.377 4.320 -0.000 0.000 0.218 142 A C 2.079 179.746 177.584 0.139 0.000 1.169 142 A CA 1.231 53.361 52.037 0.155 0.000 0.635 142 A CB -0.652 18.493 19.000 0.242 0.000 0.810 142 A HN 0.621 nan 8.150 nan 0.000 0.445 143 I N -0.444 120.121 120.570 -0.008 0.000 2.142 143 I HA -0.224 3.946 4.170 -0.000 0.000 0.240 143 I C 2.338 178.197 176.117 -0.430 0.000 1.078 143 I CA 1.339 62.427 61.300 -0.354 0.000 1.343 143 I CB -0.346 37.511 38.000 -0.238 0.000 1.046 143 I HN 0.158 nan 8.210 nan 0.000 0.405 144 V N -0.439 119.274 119.914 -0.334 0.000 2.407 144 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 144 V C 2.525 178.455 176.094 -0.272 0.000 1.055 144 V CA 2.063 64.142 62.300 -0.369 0.000 1.049 144 V CB -0.594 31.116 31.823 -0.189 0.000 0.662 144 V HN 0.373 nan 8.190 nan 0.000 0.455 145 S N -1.131 114.481 115.700 -0.146 0.000 2.382 145 S HA -0.245 4.225 4.470 -0.000 0.000 0.228 145 S C 2.042 176.596 174.600 -0.077 0.000 1.027 145 S CA 1.864 60.014 58.200 -0.083 0.000 0.991 145 S CB -0.341 62.852 63.200 -0.013 0.000 0.823 145 S HN 0.842 nan 8.310 nan 0.000 0.469 146 H N 1.643 120.603 119.070 -0.183 0.000 2.357 146 H HA 0.169 4.725 4.556 -0.000 0.000 0.301 146 H C 1.660 176.819 175.328 -0.281 0.000 1.082 146 H CA 1.867 57.806 56.048 -0.181 0.000 1.342 146 H CB -0.090 29.543 29.762 -0.215 0.000 1.389 146 H HN 0.302 nan 8.280 nan 0.000 0.511 147 N N -0.399 117.965 118.700 -0.559 0.000 2.236 147 N HA 0.040 4.780 4.740 -0.000 0.000 0.196 147 N C 1.547 176.736 175.510 -0.535 0.000 1.114 147 N CA 0.659 53.287 53.050 -0.704 0.000 0.859 147 N CB 0.507 38.273 38.487 -1.202 0.000 0.982 147 N HN 0.449 nan 8.380 nan 0.000 0.493 148 G N 0.926 109.484 108.800 -0.404 0.000 2.776 148 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.209 148 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.209 148 G C 1.794 176.578 174.900 -0.193 0.000 1.145 148 G CA 0.753 45.685 45.100 -0.281 0.000 0.791 148 G HN 0.361 nan 8.290 nan 0.000 0.530 149 R N -0.345 120.037 120.500 -0.197 0.000 2.075 149 R HA 0.201 4.541 4.340 -0.000 0.000 0.226 149 R C 1.600 177.833 176.300 -0.110 0.000 1.114 149 R CA 0.704 56.722 56.100 -0.137 0.000 0.972 149 R CB -0.799 29.418 30.300 -0.137 0.000 0.869 149 R HN 0.439 nan 8.270 nan 0.000 0.437 150 Q N 0.646 120.371 119.800 -0.124 0.000 2.584 150 Q HA 0.112 4.452 4.340 -0.000 0.000 0.235 150 Q C -0.386 175.589 176.000 -0.042 0.000 1.079 150 Q CA -0.130 55.630 55.803 -0.072 0.000 0.977 150 Q CB 0.410 29.114 28.738 -0.057 0.000 1.293 150 Q HN 0.461 nan 8.270 nan 0.000 0.553 151 R N 0.034 120.528 120.500 -0.011 0.000 2.638 151 R HA -0.031 4.309 4.340 -0.000 0.000 0.268 151 R C 1.077 177.400 176.300 0.037 0.000 1.006 151 R CA 0.370 56.476 56.100 0.010 0.000 1.088 151 R CB 0.219 30.532 30.300 0.021 0.000 0.950 151 R HN 0.709 nan 8.270 nan 0.000 0.419 152 A N 2.528 125.375 122.820 0.045 0.000 2.015 152 A HA -0.150 4.169 4.320 -0.000 0.000 0.219 152 A C 1.184 178.842 177.584 0.124 0.000 1.163 152 A CA 1.639 53.727 52.037 0.086 0.000 0.646 152 A CB -0.132 18.912 19.000 0.073 0.000 0.806 152 A HN 0.844 nan 8.150 nan 0.000 0.448 153 D N -0.949 119.506 120.400 0.092 0.000 2.388 153 D HA 0.383 5.022 4.640 -0.000 0.000 0.221 153 D C 1.232 177.581 176.300 0.082 0.000 1.133 153 D CA 0.593 54.646 54.000 0.087 0.000 0.831 153 D CB -0.192 40.668 40.800 0.099 0.000 0.962 153 D HN 0.228 nan 8.370 nan 0.000 0.502 154 A N 1.453 124.327 122.820 0.090 0.000 1.972 154 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 154 A C -0.173 177.444 177.584 0.056 0.000 1.169 154 A CA 0.840 52.925 52.037 0.080 0.000 0.635 154 A CB -1.222 17.825 19.000 0.078 0.000 0.810 154 A HN 0.260 nan 8.150 nan 0.000 0.446 155 P HA -0.091 nan 4.420 nan 0.000 0.221 155 P C 0.783 178.012 177.300 -0.118 0.000 1.145 155 P CA 0.687 63.726 63.100 -0.102 0.000 0.795 155 P CB 0.001 31.550 31.700 -0.251 0.000 0.775 156 L N -1.061 120.108 121.223 -0.091 0.000 2.591 156 L HA 0.043 4.383 4.340 -0.000 0.000 0.228 156 L C 1.985 178.863 176.870 0.015 0.000 1.133 156 L CA 1.307 56.041 54.840 -0.176 0.000 0.880 156 L CB -0.812 41.032 42.059 -0.358 0.000 1.033 156 L HN -0.058 nan 8.230 nan 0.000 0.450 157 Q N -1.574 118.295 119.800 0.114 0.000 2.339 157 Q HA 0.165 4.505 4.340 -0.000 0.000 0.205 157 Q C 0.403 176.553 176.000 0.251 0.000 0.925 157 Q CA 0.574 56.508 55.803 0.218 0.000 0.898 157 Q CB 0.521 29.365 28.738 0.176 0.000 1.013 157 Q HN 0.408 nan 8.270 nan 0.000 0.504 158 H N -1.115 117.995 119.070 0.066 0.000 2.894 158 H HA 0.061 4.617 4.556 -0.000 0.000 0.367 158 H C -0.312 175.018 175.328 0.003 0.000 1.144 158 H CA -0.508 55.576 56.048 0.059 0.000 1.180 158 H CB 1.423 31.203 29.762 0.030 0.000 1.758 158 H HN -0.017 nan 8.280 nan 0.000 0.541 159 Y N 4.129 124.234 120.300 -0.325 0.000 2.097 159 Y HA -0.269 4.281 4.550 -0.000 0.000 0.282 159 Y C 1.972 177.748 175.900 -0.207 0.000 1.152 159 Y CA 2.260 60.228 58.100 -0.219 0.000 1.136 159 Y CB 0.073 38.388 38.460 -0.241 0.000 0.975 159 Y HN 0.550 nan 8.280 nan 0.000 0.498 160 L N 1.064 122.006 121.223 -0.469 0.000 2.046 160 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 160 L C 2.188 178.880 176.870 -0.297 0.000 1.077 160 L CA 1.896 56.416 54.840 -0.533 0.000 0.747 160 L CB -0.944 40.965 42.059 -0.249 0.000 0.896 160 L HN 0.391 nan 8.230 nan 0.000 0.432 161 Q N -0.804 118.945 119.800 -0.084 0.000 2.181 161 Q HA -0.186 4.154 4.340 -0.000 0.000 0.205 161 Q C 2.268 178.124 176.000 -0.241 0.000 0.980 161 Q CA 1.799 57.536 55.803 -0.110 0.000 0.862 161 Q CB -0.287 28.447 28.738 -0.006 0.000 0.905 161 Q HN 0.795 nan 8.270 nan 0.000 0.429 162 S N 0.513 116.037 115.700 -0.293 0.000 2.406 162 S HA -0.101 4.369 4.470 -0.000 0.000 0.228 162 S C 1.685 176.041 174.600 -0.408 0.000 1.020 162 S CA 0.621 58.612 58.200 -0.347 0.000 0.965 162 S CB -0.006 63.027 63.200 -0.279 0.000 0.798 162 S HN 0.232 nan 8.310 nan 0.000 0.488 163 E N 1.530 121.441 120.200 -0.482 0.000 2.208 163 E HA -0.038 4.312 4.350 -0.000 0.000 0.193 163 E C 1.590 178.006 176.600 -0.306 0.000 0.988 163 E CA 0.827 56.995 56.400 -0.387 0.000 0.828 163 E CB -0.242 29.197 29.700 -0.434 0.000 0.763 163 E HN 0.753 nan 8.360 nan 0.000 0.478 164 Q N -0.546 119.067 119.800 -0.312 0.000 2.222 164 Q HA 0.171 4.511 4.340 -0.000 0.000 0.206 164 Q C 1.006 176.701 176.000 -0.507 0.000 0.877 164 Q CA 0.125 55.774 55.803 -0.256 0.000 0.958 164 Q CB 0.918 29.585 28.738 -0.119 0.000 1.075 164 Q HN 0.107 nan 8.270 nan 0.000 0.483 165 G N 0.139 108.468 108.800 -0.784 0.000 3.695 165 G HA2 0.128 4.088 3.960 -0.000 0.000 0.277 165 G HA3 0.128 4.088 3.960 -0.000 0.000 0.277 165 G C -0.236 173.697 174.900 -1.611 0.000 1.001 165 G CA -0.231 43.909 45.100 -1.601 0.000 0.837 165 G HN 0.155 nan 8.290 nan 0.000 0.492 166 L N 1.437 122.128 121.223 -0.887 0.000 2.399 166 L HA 0.429 4.769 4.340 -0.000 0.000 0.257 166 L C 0.964 177.588 176.870 -0.410 0.000 1.236 166 L CA -0.802 53.713 54.840 -0.541 0.000 1.144 166 L CB -0.616 41.271 42.059 -0.287 0.000 1.379 166 L HN 0.371 nan 8.230 nan 0.000 0.414 167 W N 1.775 122.866 121.300 -0.349 0.000 2.374 167 W HA -0.159 4.501 4.660 -0.000 0.000 0.288 167 W C 1.171 177.305 176.519 -0.641 0.000 1.218 167 W CA 0.228 57.192 57.345 -0.635 0.000 1.245 167 W CB -0.228 28.584 29.460 -1.080 0.000 1.126 167 W HN 0.435 nan 8.180 nan 0.000 0.545 168 F N -0.683 119.369 119.950 0.170 0.000 2.727 168 F HA 0.437 4.964 4.527 -0.000 0.000 0.302 168 F C 1.705 177.552 175.800 0.078 0.000 1.107 168 F CA 0.409 58.483 58.000 0.124 0.000 1.277 168 F CB -0.590 38.487 39.000 0.127 0.000 1.079 168 F HN -0.066 nan 8.300 nan 0.000 0.594 169 G N 0.099 108.992 108.800 0.156 0.000 2.642 169 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.231 169 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.231 169 G C -0.399 174.572 174.900 0.118 0.000 1.338 169 G CA -0.398 44.752 45.100 0.083 0.000 0.883 169 G HN 0.430 nan 8.290 nan 0.000 0.570 170 H N 3.060 122.127 119.070 -0.005 0.000 3.216 170 H HA 0.123 4.679 4.556 -0.000 0.000 0.283 170 H C -0.726 174.668 175.328 0.109 0.000 0.921 170 H CA -0.017 56.047 56.048 0.027 0.000 1.419 170 H CB 0.997 30.751 29.762 -0.013 0.000 1.460 170 H HN 0.296 nan 8.280 nan 0.000 0.553 171 P HA 0.013 nan 4.420 nan 0.000 0.245 171 P C -0.201 177.285 177.300 0.309 0.000 1.212 171 P CA 0.240 63.480 63.100 0.233 0.000 0.774 171 P CB 0.601 32.373 31.700 0.120 0.000 0.999 172 S N 0.032 116.046 115.700 0.522 0.000 2.139 172 S HA 0.236 4.706 4.470 -0.000 0.000 0.183 172 S C -0.660 174.064 174.600 0.206 0.000 1.473 172 S CA -0.349 58.061 58.200 0.349 0.000 1.263 172 S CB -0.220 63.183 63.200 0.338 0.000 1.170 172 S HN 0.217 nan 8.310 nan 0.000 0.430 173 H N 1.901 121.018 119.070 0.078 0.000 2.954 173 H HA 0.284 4.840 4.556 -0.000 0.000 0.361 173 H C -2.638 172.707 175.328 0.029 0.000 1.122 173 H CA -1.445 54.573 56.048 -0.050 0.000 1.217 173 H CB 2.614 32.303 29.762 -0.122 0.000 1.776 173 H HN 0.031 nan 8.280 nan 0.000 0.533 174 P HA 0.012 nan 4.420 nan 0.000 0.218 174 P C 0.048 177.447 177.300 0.166 0.000 1.149 174 P CA 0.799 63.913 63.100 0.024 0.000 0.817 174 P CB 0.677 32.328 31.700 -0.081 0.000 0.785 175 A N -0.211 122.826 122.820 0.361 0.000 3.409 175 A HA 0.406 4.726 4.320 -0.000 0.000 0.282 175 A C -2.000 175.731 177.584 0.245 0.000 1.064 175 A CA -0.837 51.369 52.037 0.282 0.000 0.889 175 A CB 0.327 19.430 19.000 0.172 0.000 1.251 175 A HN -0.031 nan 8.150 nan 0.000 0.538 176 P HA -0.096 nan 4.420 nan 0.000 0.222 176 P C 0.514 177.771 177.300 -0.072 0.000 1.147 176 P CA 1.257 64.272 63.100 -0.140 0.000 0.790 176 P CB 0.294 32.017 31.700 0.038 0.000 0.780 177 K N -0.482 119.938 120.400 0.033 0.000 2.514 177 K HA 0.345 4.665 4.320 -0.000 0.000 0.207 177 K C 0.461 177.094 176.600 0.054 0.000 1.035 177 K CA -0.542 55.777 56.287 0.052 0.000 1.113 177 K CB 0.418 32.977 32.500 0.097 0.000 0.846 177 K HN -0.005 nan 8.250 nan 0.000 0.491 178 A N 1.788 124.627 122.820 0.031 0.000 2.451 178 A HA 0.314 4.634 4.320 -0.000 0.000 0.266 178 A C -0.231 177.336 177.584 -0.030 0.000 1.119 178 A CA 0.098 52.150 52.037 0.024 0.000 0.786 178 A CB 0.027 19.050 19.000 0.039 0.000 1.061 178 A HN 0.263 nan 8.150 nan 0.000 0.503 179 R N 1.736 122.213 120.500 -0.039 0.000 2.515 179 R HA 0.368 4.708 4.340 -0.000 0.000 0.291 179 R C -1.432 174.759 176.300 -0.181 0.000 1.046 179 R CA -0.733 55.251 56.100 -0.193 0.000 0.914 179 R CB 1.756 31.903 30.300 -0.255 0.000 1.191 179 R HN 0.556 nan 8.270 nan 0.000 0.435 180 L N 4.069 125.149 121.223 -0.237 0.000 2.352 180 L HA 0.374 4.714 4.340 -0.000 0.000 0.272 180 L C -1.099 175.664 176.870 -0.179 0.000 1.109 180 L CA -0.367 54.395 54.840 -0.130 0.000 0.952 180 L CB -0.085 41.925 42.059 -0.082 0.000 1.314 180 L HN 0.526 nan 8.230 nan 0.000 0.427 181 W N 5.385 126.674 121.300 -0.018 0.000 2.184 181 W HA 0.365 5.025 4.660 -0.000 0.000 0.338 181 W C -1.446 175.028 176.519 -0.074 0.000 1.257 181 W CA -1.494 55.827 57.345 -0.039 0.000 1.243 181 W CB -0.178 29.276 29.460 -0.011 0.000 1.122 181 W HN 0.421 nan 8.180 nan 0.000 0.585 182 P HA -0.076 nan 4.420 nan 0.000 0.264 182 P C 0.492 177.729 177.300 -0.105 0.000 1.179 182 P CA 0.552 63.657 63.100 0.008 0.000 0.763 182 P CB 0.535 32.219 31.700 -0.027 0.000 0.806 183 A N 3.156 125.974 122.820 -0.004 0.000 2.009 183 A HA -0.263 4.057 4.320 -0.000 0.000 0.222 183 A C 1.568 179.179 177.584 0.045 0.000 1.175 183 A CA 2.402 54.469 52.037 0.050 0.000 0.651 183 A CB -1.578 17.487 19.000 0.109 0.000 0.815 183 A HN 0.859 nan 8.150 nan 0.000 0.459 184 H N -2.964 116.166 119.070 0.099 0.000 2.539 184 H HA 0.512 5.068 4.556 -0.000 0.000 0.269 184 H C 1.405 176.774 175.328 0.068 0.000 0.980 184 H CA 0.402 56.496 56.048 0.076 0.000 1.152 184 H CB -0.206 29.600 29.762 0.073 0.000 1.407 184 H HN 0.370 nan 8.280 nan 0.000 0.564 185 L N 0.286 121.429 121.223 -0.134 0.000 2.185 185 L HA 0.324 4.664 4.340 -0.000 0.000 0.198 185 L C 0.806 177.621 176.870 -0.090 0.000 1.079 185 L CA 0.618 55.415 54.840 -0.073 0.000 0.780 185 L CB -0.221 41.772 42.059 -0.110 0.000 0.955 185 L HN 0.659 nan 8.230 nan 0.000 0.462 186 G N -0.551 108.196 108.800 -0.088 0.000 2.719 186 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.686 186 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.686 186 G C -0.017 174.728 174.900 -0.259 0.000 1.201 186 G CA -0.522 44.501 45.100 -0.128 0.000 0.768 186 G HN 0.079 nan 8.290 nan 0.000 0.629 187 Q N 0.428 120.129 119.800 -0.165 0.000 2.172 187 Q HA -0.047 4.293 4.340 -0.000 0.000 0.200 187 Q C 2.322 178.157 176.000 -0.275 0.000 0.964 187 Q CA 1.979 57.722 55.803 -0.100 0.000 0.855 187 Q CB 0.094 28.875 28.738 0.071 0.000 0.918 187 Q HN 0.903 nan 8.270 nan 0.000 0.444 188 E N 0.305 120.199 120.200 -0.510 0.000 2.358 188 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 188 E C 1.820 178.056 176.600 -0.605 0.000 1.010 188 E CA 0.225 56.115 56.400 -0.851 0.000 0.856 188 E CB 0.160 29.048 29.700 -1.353 0.000 0.795 188 E HN 0.123 nan 8.360 nan 0.000 0.504 189 Q N -0.099 119.320 119.800 -0.634 0.000 2.083 189 Q HA -0.129 4.211 4.340 -0.000 0.000 0.198 189 Q C 0.397 175.786 176.000 -1.017 0.000 0.969 189 Q CA 1.419 56.704 55.803 -0.863 0.000 0.838 189 Q CB 0.022 28.176 28.738 -0.972 0.000 0.900 189 Q HN 0.366 nan 8.270 nan 0.000 0.436 190 W N -0.093 120.989 121.300 -0.364 0.000 2.771 190 W HA 0.649 5.309 4.660 -0.000 0.000 0.412 190 W C -0.415 176.090 176.519 -0.023 0.000 0.965 190 W CA -0.347 56.887 57.345 -0.185 0.000 2.045 190 W CB 0.138 29.460 29.460 -0.229 0.000 1.176 190 W HN -0.020 nan 8.180 nan 0.000 0.634 191 A N 2.436 125.326 122.820 0.116 0.000 2.289 191 A HA 0.377 4.697 4.320 -0.000 0.000 0.298 191 A C -1.090 176.606 177.584 0.186 0.000 1.208 191 A CA -1.256 50.923 52.037 0.236 0.000 0.845 191 A CB 0.792 20.003 19.000 0.352 0.000 1.125 191 A HN -0.030 nan 8.150 nan 0.000 0.517 192 P HA -0.174 nan 4.420 nan 0.000 0.218 192 P C 0.590 177.930 177.300 0.067 0.000 1.148 192 P CA 1.325 64.456 63.100 0.053 0.000 0.822 192 P CB 0.251 31.945 31.700 -0.011 0.000 0.784 193 E N -1.023 119.233 120.200 0.094 0.000 2.333 193 E HA -0.093 4.257 4.350 -0.000 0.000 0.198 193 E C 0.910 177.458 176.600 -0.086 0.000 1.007 193 E CA 0.866 57.315 56.400 0.082 0.000 0.845 193 E CB -0.826 28.910 29.700 0.060 0.000 0.766 193 E HN 0.366 nan 8.360 nan 0.000 0.507 194 F N 0.191 120.177 119.950 0.061 0.000 2.684 194 F HA 0.182 4.709 4.527 -0.000 0.000 0.298 194 F C -0.029 175.775 175.800 0.006 0.000 1.120 194 F CA -0.472 57.485 58.000 -0.072 0.000 1.332 194 F CB 0.069 38.900 39.000 -0.282 0.000 0.986 194 F HN -0.262 nan 8.300 nan 0.000 0.524 195 Q N -0.092 119.807 119.800 0.165 0.000 2.453 195 Q HA -0.219 4.121 4.340 -0.000 0.000 0.294 195 Q C 0.403 176.457 176.000 0.090 0.000 1.295 195 Q CA 0.696 56.570 55.803 0.119 0.000 0.853 195 Q CB -1.875 26.941 28.738 0.131 0.000 1.193 195 Q HN 0.430 nan 8.270 nan 0.000 0.461 196 A N 0.775 123.638 122.820 0.072 0.000 2.540 196 A HA 0.375 4.695 4.320 -0.000 0.000 0.239 196 A C 0.416 178.053 177.584 0.088 0.000 1.061 196 A CA 0.391 52.442 52.037 0.024 0.000 0.758 196 A CB 0.395 19.391 19.000 -0.007 0.000 0.991 196 A HN 0.355 nan 8.150 nan 0.000 0.502 197 R N 0.727 121.285 120.500 0.097 0.000 2.854 197 R HA 0.813 5.153 4.340 -0.000 0.000 0.271 197 R C -0.820 175.618 176.300 0.231 0.000 0.994 197 R CA -0.381 55.839 56.100 0.201 0.000 0.945 197 R CB 2.438 32.820 30.300 0.137 0.000 1.194 197 R HN 1.069 nan 8.270 nan 0.000 0.476 198 A N 0.680 123.710 122.820 0.350 0.000 2.594 198 A HA 0.645 4.965 4.320 -0.000 0.000 0.296 198 A C -1.350 176.289 177.584 0.092 0.000 1.061 198 A CA -0.661 51.534 52.037 0.264 0.000 0.689 198 A CB 1.580 20.901 19.000 0.534 0.000 1.280 198 A HN 0.789 nan 8.150 nan 0.000 0.406 199 A N 1.574 124.404 122.820 0.017 0.000 2.488 199 A HA 0.548 4.868 4.320 -0.000 0.000 0.249 199 A C 0.248 177.733 177.584 -0.166 0.000 1.083 199 A CA 0.000 51.984 52.037 -0.089 0.000 0.768 199 A CB -0.412 18.541 19.000 -0.078 0.000 1.017 199 A HN 0.935 nan 8.150 nan 0.000 0.496 200 L N 1.787 122.827 121.223 -0.305 0.000 2.467 200 L HA 0.120 4.460 4.340 -0.000 0.000 0.270 200 L C 0.826 177.571 176.870 -0.209 0.000 1.205 200 L CA -0.192 54.425 54.840 -0.373 0.000 0.828 200 L CB 0.288 42.074 42.059 -0.454 0.000 1.101 200 L HN 0.838 nan 8.230 nan 0.000 0.479 201 H N 1.668 120.598 119.070 -0.233 0.000 2.652 201 H HA 0.217 4.773 4.556 -0.000 0.000 0.349 201 H C -0.694 174.463 175.328 -0.285 0.000 1.099 201 H CA 0.225 56.131 56.048 -0.236 0.000 1.417 201 H CB 0.669 30.320 29.762 -0.185 0.000 1.457 201 H HN 0.478 nan 8.280 nan 0.000 0.568 202 Q N 3.029 122.555 119.800 -0.456 0.000 2.413 202 Q HA 0.373 4.713 4.340 -0.000 0.000 0.276 202 Q C -1.357 174.312 176.000 -0.550 0.000 1.099 202 Q CA -0.817 54.789 55.803 -0.328 0.000 0.814 202 Q CB 2.549 31.150 28.738 -0.229 0.000 1.379 202 Q HN 0.497 nan 8.270 nan 0.000 0.436 203 F N 0.316 120.264 119.950 -0.004 0.000 2.540 203 F HA 0.279 4.806 4.527 -0.000 0.000 0.317 203 F C 0.070 175.822 175.800 -0.080 0.000 1.104 203 F CA -0.801 57.188 58.000 -0.019 0.000 0.913 203 F CB 1.949 40.941 39.000 -0.015 0.000 1.170 203 F HN 0.427 nan 8.300 nan 0.000 0.450 204 E N 3.151 123.409 120.200 0.095 0.000 2.194 204 E HA 0.527 4.877 4.350 -0.000 0.000 0.284 204 E C -1.338 175.258 176.600 -0.007 0.000 1.035 204 E CA -0.525 55.891 56.400 0.026 0.000 0.836 204 E CB 1.157 30.844 29.700 -0.022 0.000 1.070 204 E HN 0.527 nan 8.360 nan 0.000 0.401 205 V N 1.984 121.864 119.914 -0.057 0.000 2.876 205 V HA 0.663 4.783 4.120 -0.000 0.000 0.312 205 V C -2.699 173.389 176.094 -0.009 0.000 1.085 205 V CA -2.645 59.486 62.300 -0.281 0.000 0.945 205 V CB 1.606 32.835 31.823 -0.990 0.000 1.017 205 V HN 0.582 nan 8.190 nan 0.000 0.428 206 P HA 0.151 nan 4.420 nan 0.000 0.276 206 P C 1.022 178.376 177.300 0.091 0.000 1.230 206 P CA 0.242 63.243 63.100 -0.165 0.000 0.776 206 P CB 1.630 33.291 31.700 -0.066 0.000 0.888 207 V N 0.421 120.308 119.914 -0.044 0.000 2.913 207 V HA -0.155 3.965 4.120 -0.000 0.000 0.260 207 V C 1.561 177.660 176.094 0.009 0.000 1.098 207 V CA 1.949 64.266 62.300 0.028 0.000 1.121 207 V CB -1.472 30.347 31.823 -0.006 0.000 0.714 207 V HN 0.474 nan 8.190 nan 0.000 0.487 208 D N 1.720 122.107 120.400 -0.022 0.000 2.312 208 D HA 0.002 4.642 4.640 -0.000 0.000 0.211 208 D C 1.870 178.071 176.300 -0.165 0.000 0.964 208 D CA 1.303 55.255 54.000 -0.079 0.000 0.877 208 D CB -0.430 40.325 40.800 -0.074 0.000 0.924 208 D HN 0.538 nan 8.370 nan 0.000 0.515 209 G N -0.019 108.695 108.800 -0.143 0.000 3.088 209 G HA2 0.219 4.179 3.960 -0.000 0.000 0.217 209 G HA3 0.219 4.179 3.960 -0.000 0.000 0.217 209 G C 0.577 175.130 174.900 -0.579 0.000 1.159 209 G CA -0.429 44.335 45.100 -0.559 0.000 0.760 209 G HN 0.204 nan 8.290 nan 0.000 0.550 210 L N 1.717 122.815 121.223 -0.208 0.000 2.349 210 L HA 0.323 4.663 4.340 -0.000 0.000 0.275 210 L C -0.179 176.475 176.870 -0.360 0.000 1.115 210 L CA -0.463 54.326 54.840 -0.085 0.000 0.820 210 L CB 0.782 42.874 42.059 0.055 0.000 1.135 210 L HN 0.201 nan 8.230 nan 0.000 0.445 211 H N 5.492 124.574 119.070 0.020 0.000 2.708 211 H HA 0.451 5.007 4.556 -0.000 0.000 0.320 211 H C -0.711 174.643 175.328 0.043 0.000 0.991 211 H CA -0.438 55.621 56.048 0.019 0.000 1.243 211 H CB 1.527 31.294 29.762 0.009 0.000 1.446 211 H HN 0.411 nan 8.280 nan 0.000 0.502 212 I N 2.189 122.836 120.570 0.128 0.000 2.418 212 I HA 0.299 4.469 4.170 -0.000 0.000 0.287 212 I C 0.622 176.804 176.117 0.109 0.000 1.008 212 I CA -0.754 60.613 61.300 0.112 0.000 1.104 212 I CB 2.150 40.203 38.000 0.089 0.000 1.264 212 I HN 0.553 nan 8.210 nan 0.000 0.438 213 G N 4.596 113.466 108.800 0.117 0.000 2.343 213 G HA2 0.751 4.711 3.960 -0.000 0.000 0.319 213 G HA3 0.751 4.711 3.960 -0.000 0.000 0.319 213 G C -0.926 174.032 174.900 0.097 0.000 1.126 213 G CA -0.399 44.764 45.100 0.106 0.000 0.889 213 G HN 0.749 nan 8.290 nan 0.000 0.457 214 A N 2.859 125.727 122.820 0.081 0.000 2.408 214 A HA 0.714 5.034 4.320 -0.000 0.000 0.295 214 A C -0.862 176.760 177.584 0.064 0.000 1.040 214 A CA -0.893 51.184 52.037 0.067 0.000 0.707 214 A CB 1.461 20.497 19.000 0.059 0.000 1.235 214 A HN 0.536 nan 8.150 nan 0.000 0.418 215 N N 1.189 119.927 118.700 0.064 0.000 2.483 215 N HA 0.498 5.238 4.740 -0.000 0.000 0.267 215 N C 0.696 176.243 175.510 0.063 0.000 0.998 215 N CA 0.593 53.683 53.050 0.066 0.000 0.918 215 N CB 1.776 40.310 38.487 0.079 0.000 1.215 215 N HN 1.613 nan 8.380 nan 0.000 0.500 216 G N 1.210 110.043 108.800 0.055 0.000 2.162 216 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.260 216 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.260 216 G C -0.228 174.703 174.900 0.053 0.000 0.976 216 G CA 0.275 45.407 45.100 0.053 0.000 0.655 216 G HN 0.454 nan 8.290 nan 0.000 0.533 217 L N 0.358 121.610 121.223 0.050 0.000 2.350 217 L HA 0.692 5.032 4.340 -0.000 0.000 0.260 217 L C 0.964 177.860 176.870 0.043 0.000 1.015 217 L CA -0.612 54.256 54.840 0.046 0.000 0.821 217 L CB 2.167 44.247 42.059 0.035 0.000 1.370 217 L HN 0.296 nan 8.230 nan 0.000 0.416 218 T N -2.628 111.952 114.554 0.043 0.000 2.882 218 T HA 0.274 4.624 4.350 -0.000 0.000 0.287 218 T C -2.032 172.696 174.700 0.048 0.000 1.014 218 T CA -1.549 60.576 62.100 0.042 0.000 1.049 218 T CB 1.399 70.290 68.868 0.039 0.000 1.001 218 T HN 0.318 nan 8.240 nan 0.000 0.525 219 P HA -0.109 nan 4.420 nan 0.000 0.216 219 P C 1.869 179.209 177.300 0.067 0.000 1.150 219 P CA 0.951 64.088 63.100 0.060 0.000 0.837 219 P CB 0.052 31.783 31.700 0.052 0.000 0.786 220 Q N -0.365 119.469 119.800 0.058 0.000 2.124 220 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 220 Q C 2.215 178.255 176.000 0.067 0.000 0.977 220 Q CA 1.492 57.332 55.803 0.061 0.000 0.850 220 Q CB -0.620 28.148 28.738 0.050 0.000 0.901 220 Q HN 0.491 nan 8.270 nan 0.000 0.429 221 Q N -0.273 119.562 119.800 0.058 0.000 2.170 221 Q HA -0.095 4.245 4.340 -0.000 0.000 0.203 221 Q C 2.216 178.239 176.000 0.039 0.000 0.976 221 Q CA 1.192 57.029 55.803 0.058 0.000 0.858 221 Q CB 0.067 28.838 28.738 0.055 0.000 0.907 221 Q HN 0.159 nan 8.270 nan 0.000 0.433 222 V N 0.985 120.921 119.914 0.037 0.000 2.307 222 V HA -0.263 3.857 4.120 -0.000 0.000 0.245 222 V C 2.169 178.368 176.094 0.174 0.000 1.045 222 V CA 1.522 63.843 62.300 0.034 0.000 1.024 222 V CB -0.520 31.364 31.823 0.101 0.000 0.651 222 V HN 0.334 nan 8.190 nan 0.000 0.449 223 L N -0.170 121.168 121.223 0.192 0.000 2.012 223 L HA -0.215 4.124 4.340 -0.000 0.000 0.210 223 L C 2.439 179.430 176.870 0.202 0.000 1.073 223 L CA 1.767 56.745 54.840 0.229 0.000 0.748 223 L CB -0.890 41.250 42.059 0.134 0.000 0.891 223 L HN 0.309 nan 8.230 nan 0.000 0.431 224 D N 0.191 120.668 120.400 0.129 0.000 2.172 224 D HA -0.187 4.453 4.640 -0.000 0.000 0.196 224 D C 2.087 178.474 176.300 0.144 0.000 0.999 224 D CA 1.581 55.650 54.000 0.115 0.000 0.856 224 D CB -0.430 40.428 40.800 0.098 0.000 0.934 224 D HN 0.417 nan 8.370 nan 0.000 0.453 225 G N -0.747 108.112 108.800 0.099 0.000 2.408 225 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 225 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 225 G C 1.380 176.308 174.900 0.047 0.000 1.150 225 G CA 0.191 45.340 45.100 0.082 0.000 0.776 225 G HN 0.213 nan 8.290 nan 0.000 0.542 226 F N 1.174 121.175 119.950 0.086 0.000 2.187 226 F HA 0.483 5.010 4.527 -0.000 0.000 0.295 226 F C 1.428 177.213 175.800 -0.025 0.000 1.091 226 F CA 0.857 58.877 58.000 0.033 0.000 1.308 226 F CB 0.148 39.154 39.000 0.009 0.000 1.030 226 F HN 0.241 nan 8.300 nan 0.000 0.487 227 A N -0.699 122.225 122.820 0.173 0.000 2.517 227 A HA 0.347 4.666 4.320 -0.000 0.000 0.297 227 A C -1.433 176.176 177.584 0.042 0.000 1.050 227 A CA -0.793 51.278 52.037 0.057 0.000 0.694 227 A CB 0.632 19.660 19.000 0.047 0.000 1.277 227 A HN -0.040 nan 8.150 nan 0.000 0.400 228 D N 1.401 121.800 120.400 -0.003 0.000 2.450 228 D HA 0.050 4.690 4.640 -0.000 0.000 0.247 228 D C 0.456 176.760 176.300 0.006 0.000 1.162 228 D CA 0.380 54.381 54.000 0.000 0.000 0.879 228 D CB 0.918 41.703 40.800 -0.025 0.000 1.163 228 D HN 0.398 nan 8.370 nan 0.000 0.472 229 Q N 2.649 122.462 119.800 0.020 0.000 2.360 229 Q HA -0.070 4.270 4.340 -0.000 0.000 0.202 229 Q C 1.334 177.342 176.000 0.013 0.000 0.915 229 Q CA 0.034 55.852 55.803 0.024 0.000 0.943 229 Q CB 0.348 29.110 28.738 0.040 0.000 1.064 229 Q HN 0.630 nan 8.270 nan 0.000 0.511 230 Q N 1.526 121.328 119.800 0.002 0.000 2.096 230 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 230 Q C -0.916 175.079 176.000 -0.009 0.000 0.982 230 Q CA 1.535 57.336 55.803 -0.003 0.000 0.850 230 Q CB -0.732 28.000 28.738 -0.010 0.000 0.901 230 Q HN 0.286 nan 8.270 nan 0.000 0.422 231 P HA 0.044 nan 4.420 nan 0.000 0.226 231 P C -0.589 176.697 177.300 -0.023 0.000 1.153 231 P CA 0.821 63.904 63.100 -0.028 0.000 0.777 231 P CB -0.240 31.434 31.700 -0.043 0.000 0.794 232 A N 0.526 123.344 122.820 -0.003 0.000 2.440 232 A HA 0.393 4.713 4.320 -0.000 0.000 0.251 232 A C 0.851 178.446 177.584 0.019 0.000 1.089 232 A CA -0.118 51.930 52.037 0.018 0.000 0.779 232 A CB -0.174 18.857 19.000 0.052 0.000 1.022 232 A HN 0.258 nan 8.150 nan 0.000 0.492 233 S N 2.516 118.217 115.700 0.002 0.000 2.669 233 S HA 0.615 5.085 4.470 -0.000 0.000 0.270 233 S C -2.758 171.909 174.600 0.111 0.000 1.225 233 S CA -1.377 56.829 58.200 0.010 0.000 0.991 233 S CB 0.232 63.386 63.200 -0.078 0.000 0.987 233 S HN 0.484 nan 8.310 nan 0.000 0.552 234 P HA 0.278 nan 4.420 nan 0.000 0.265 234 P C 0.969 178.388 177.300 0.199 0.000 1.193 234 P CA 1.223 64.393 63.100 0.117 0.000 0.765 234 P CB 0.103 31.849 31.700 0.076 0.000 0.823 235 G N 0.741 109.601 108.800 0.100 0.000 2.179 235 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.260 235 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.260 235 G C -0.043 174.738 174.900 -0.198 0.000 0.977 235 G CA 0.059 45.147 45.100 -0.020 0.000 0.641 235 G HN 0.679 nan 8.290 nan 0.000 0.533 236 H N -0.271 118.814 119.070 0.025 0.000 2.797 236 H HA 0.835 5.390 4.556 -0.000 0.000 0.372 236 H C 0.300 175.637 175.328 0.015 0.000 1.168 236 H CA 0.252 56.311 56.048 0.019 0.000 1.163 236 H CB 1.988 31.752 29.762 0.004 0.000 1.778 236 H HN 0.693 nan 8.280 nan 0.000 0.551 237 A N 1.303 124.196 122.820 0.122 0.000 2.485 237 A HA 0.669 4.989 4.320 -0.000 0.000 0.292 237 A C -1.385 176.228 177.584 0.048 0.000 1.147 237 A CA -0.632 51.448 52.037 0.073 0.000 0.750 237 A CB 1.243 20.279 19.000 0.061 0.000 1.331 237 A HN 0.479 nan 8.150 nan 0.000 0.419 238 I N 1.576 122.168 120.570 0.036 0.000 2.377 238 I HA 0.473 4.642 4.170 -0.000 0.000 0.293 238 I C -0.120 176.008 176.117 0.019 0.000 0.987 238 I CA -0.300 61.011 61.300 0.019 0.000 1.185 238 I CB 0.764 38.768 38.000 0.007 0.000 1.341 238 I HN 0.690 nan 8.210 nan 0.000 0.455 239 I N 3.930 124.506 120.570 0.011 0.000 2.785 239 I HA 0.800 4.970 4.170 -0.000 0.000 0.302 239 I C -0.110 176.015 176.117 0.014 0.000 1.069 239 I CA -0.638 60.652 61.300 -0.017 0.000 1.045 239 I CB 2.152 40.117 38.000 -0.059 0.000 1.236 239 I HN 0.659 nan 8.210 nan 0.000 0.429 240 C N 3.823 123.109 119.300 -0.023 0.000 2.505 240 C HA 0.927 5.387 4.460 -0.000 0.000 0.358 240 C C -0.291 174.694 174.990 -0.009 0.000 1.226 240 C CA -0.728 58.282 59.018 -0.013 0.000 1.900 240 C CB 1.553 29.276 27.740 -0.029 0.000 2.306 240 C HN 1.091 nan 8.230 nan 0.000 0.512 241 M N 1.062 120.663 119.600 0.003 0.000 2.534 241 M HA 0.327 4.807 4.480 -0.000 0.000 0.280 241 M C -0.898 175.415 176.300 0.023 0.000 1.217 241 M CA -0.248 55.074 55.300 0.036 0.000 0.893 241 M CB 1.681 34.351 32.600 0.116 0.000 1.730 241 M HN 1.088 nan 8.290 nan 0.000 0.483 242 H N 3.571 122.651 119.070 0.016 0.000 3.034 242 H HA 0.124 4.680 4.556 -0.000 0.000 0.324 242 H C -2.139 173.170 175.328 -0.032 0.000 1.015 242 H CA -0.262 55.842 56.048 0.094 0.000 1.429 242 H CB 1.019 30.919 29.762 0.230 0.000 1.429 242 H HN 0.369 nan 8.280 nan 0.000 0.585 243 P HA -0.165 nan 4.420 nan 0.000 0.218 243 P C 1.632 178.908 177.300 -0.040 0.000 1.148 243 P CA 0.782 63.876 63.100 -0.010 0.000 0.822 243 P CB 0.358 32.026 31.700 -0.052 0.000 0.784 244 V N -0.438 119.446 119.914 -0.050 0.000 2.379 244 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 244 V C 2.665 178.752 176.094 -0.012 0.000 1.044 244 V CA 1.826 64.058 62.300 -0.113 0.000 1.036 244 V CB -1.241 30.406 31.823 -0.294 0.000 0.664 244 V HN 0.097 nan 8.190 nan 0.000 0.453 245 Q N 0.791 120.588 119.800 -0.005 0.000 2.124 245 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 245 Q C 2.102 178.142 176.000 0.067 0.000 0.977 245 Q CA 2.053 57.860 55.803 0.007 0.000 0.850 245 Q CB -0.525 28.213 28.738 -0.001 0.000 0.901 245 Q HN 0.587 nan 8.270 nan 0.000 0.429 246 A N -0.050 122.798 122.820 0.047 0.000 1.933 246 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 246 A C 2.003 179.657 177.584 0.118 0.000 1.175 246 A CA 1.493 53.570 52.037 0.067 0.000 0.628 246 A CB -0.496 18.223 19.000 -0.469 0.000 0.814 246 A HN 0.393 nan 8.150 nan 0.000 0.444 247 Q N -0.236 119.595 119.800 0.052 0.000 2.119 247 Q HA -0.020 4.320 4.340 -0.000 0.000 0.201 247 Q C 2.182 178.269 176.000 0.145 0.000 0.972 247 Q CA 1.085 56.950 55.803 0.104 0.000 0.847 247 Q CB -0.469 28.345 28.738 0.128 0.000 0.903 247 Q HN 0.725 nan 8.270 nan 0.000 0.433 248 L N -0.534 120.780 121.223 0.153 0.000 2.027 248 L HA -0.138 4.202 4.340 -0.000 0.000 0.206 248 L C 2.331 179.331 176.870 0.218 0.000 1.074 248 L CA 1.015 55.952 54.840 0.163 0.000 0.745 248 L CB -0.591 41.548 42.059 0.133 0.000 0.898 248 L HN 0.125 nan 8.230 nan 0.000 0.433 249 F N 0.642 120.626 119.950 0.056 0.000 2.063 249 F HA -0.345 4.182 4.527 -0.000 0.000 0.298 249 F C 2.555 178.420 175.800 0.108 0.000 1.109 249 F CA 1.745 59.779 58.000 0.057 0.000 1.212 249 F CB -0.039 38.924 39.000 -0.063 0.000 0.973 249 F HN -0.033 nan 8.300 nan 0.000 0.480 250 M N -0.367 119.269 119.600 0.060 0.000 2.557 250 M HA -0.183 4.297 4.480 -0.000 0.000 0.259 250 M C 1.784 178.079 176.300 -0.008 0.000 1.086 250 M CA 1.138 56.423 55.300 -0.023 0.000 1.096 250 M CB -0.345 32.329 32.600 0.124 0.000 1.424 250 M HN 0.309 nan 8.290 nan 0.000 0.488 251 Q N 0.058 119.878 119.800 0.034 0.000 2.369 251 Q HA -0.051 4.289 4.340 -0.000 0.000 0.206 251 Q C 0.484 176.473 176.000 -0.019 0.000 0.963 251 Q CA 0.437 56.255 55.803 0.025 0.000 0.894 251 Q CB 0.111 28.884 28.738 0.059 0.000 0.965 251 Q HN 0.371 nan 8.270 nan 0.000 0.475 252 D N -0.812 119.557 120.400 -0.052 0.000 2.308 252 D HA 0.112 4.752 4.640 -0.000 0.000 0.251 252 D C 0.373 176.581 176.300 -0.153 0.000 1.127 252 D CA -0.003 53.913 54.000 -0.140 0.000 0.876 252 D CB 1.431 42.099 40.800 -0.220 0.000 1.176 252 D HN 0.136 nan 8.370 nan 0.000 0.446 253 A N 4.990 127.722 122.820 -0.145 0.000 2.019 253 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 253 A C 2.065 179.606 177.584 -0.071 0.000 1.164 253 A CA 1.001 52.982 52.037 -0.093 0.000 0.644 253 A CB -0.076 18.875 19.000 -0.082 0.000 0.805 253 A HN 0.665 nan 8.150 nan 0.000 0.449 254 R N -0.843 119.595 120.500 -0.103 0.000 2.092 254 R HA -0.041 4.299 4.340 -0.000 0.000 0.231 254 R C 1.913 178.297 176.300 0.141 0.000 1.119 254 R CA 1.356 57.480 56.100 0.040 0.000 0.970 254 R CB -0.349 29.997 30.300 0.076 0.000 0.864 254 R HN 0.399 nan 8.270 nan 0.000 0.440 255 V N 0.745 120.658 119.914 -0.002 0.000 2.379 255 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 255 V C 2.289 178.354 176.094 -0.048 0.000 1.044 255 V CA 1.406 63.657 62.300 -0.082 0.000 1.036 255 V CB -0.399 31.093 31.823 -0.552 0.000 0.664 255 V HN 0.244 nan 8.190 nan 0.000 0.453 256 Q N -0.022 119.748 119.800 -0.050 0.000 2.096 256 Q HA -0.282 4.058 4.340 -0.000 0.000 0.204 256 Q C 2.250 178.259 176.000 0.015 0.000 0.982 256 Q CA 2.135 57.932 55.803 -0.011 0.000 0.850 256 Q CB -0.426 28.302 28.738 -0.016 0.000 0.901 256 Q HN 0.702 nan 8.270 nan 0.000 0.422 257 Q N 0.497 120.311 119.800 0.022 0.000 2.050 257 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 257 Q C 2.135 178.167 176.000 0.053 0.000 0.980 257 Q CA 1.315 57.139 55.803 0.035 0.000 0.840 257 Q CB -0.356 28.405 28.738 0.038 0.000 0.898 257 Q HN 0.385 nan 8.270 nan 0.000 0.424 258 L N -0.355 120.915 121.223 0.078 0.000 2.042 258 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 258 L C 2.371 179.283 176.870 0.070 0.000 1.076 258 L CA 0.995 55.890 54.840 0.092 0.000 0.749 258 L CB -0.462 41.681 42.059 0.139 0.000 0.893 258 L HN 0.288 nan 8.230 nan 0.000 0.432 259 L N -0.889 120.370 121.223 0.060 0.000 2.027 259 L HA -0.197 4.143 4.340 -0.000 0.000 0.206 259 L C 2.860 179.760 176.870 0.051 0.000 1.074 259 L CA 1.249 56.127 54.840 0.064 0.000 0.745 259 L CB -0.447 41.657 42.059 0.074 0.000 0.898 259 L HN 0.177 nan 8.230 nan 0.000 0.433 260 R N -0.049 120.476 120.500 0.042 0.000 2.091 260 R HA -0.151 4.189 4.340 -0.000 0.000 0.238 260 R C 1.246 177.566 176.300 0.033 0.000 1.136 260 R CA 1.405 57.525 56.100 0.033 0.000 0.959 260 R CB -0.261 30.055 30.300 0.026 0.000 0.856 260 R HN 0.382 nan 8.270 nan 0.000 0.437 261 D N 0.384 120.808 120.400 0.039 0.000 2.336 261 D HA -0.006 4.634 4.640 -0.000 0.000 0.229 261 D C -0.113 176.214 176.300 0.045 0.000 1.061 261 D CA 0.204 54.227 54.000 0.039 0.000 0.875 261 D CB -0.010 40.816 40.800 0.044 0.000 0.904 261 D HN 0.127 nan 8.370 nan 0.000 0.525 262 N N -0.191 118.535 118.700 0.044 0.000 2.725 262 N HA -0.161 4.579 4.740 -0.000 0.000 0.249 262 N C 1.139 176.685 175.510 0.060 0.000 1.103 262 N CA 0.320 53.393 53.050 0.040 0.000 0.707 262 N CB -1.597 36.904 38.487 0.023 0.000 1.043 262 N HN 0.186 nan 8.380 nan 0.000 0.553 263 V N -0.117 119.845 119.914 0.080 0.000 2.407 263 V HA 0.021 4.141 4.120 -0.000 0.000 0.245 263 V C 1.499 177.658 176.094 0.108 0.000 1.041 263 V CA 1.782 64.155 62.300 0.122 0.000 1.040 263 V CB -0.198 31.707 31.823 0.137 0.000 0.671 263 V HN 0.545 nan 8.190 nan 0.000 0.455 264 I N -1.833 118.762 120.570 0.043 0.000 3.067 264 I HA 0.702 4.871 4.170 -0.000 0.000 0.312 264 I C -0.380 175.770 176.117 0.055 0.000 1.073 264 I CA -1.152 60.139 61.300 -0.015 0.000 1.016 264 I CB 2.168 40.070 38.000 -0.163 0.000 1.227 264 I HN -0.085 nan 8.210 nan 0.000 0.456 265 R N 1.923 122.481 120.500 0.097 0.000 2.538 265 R HA 0.263 4.603 4.340 -0.000 0.000 0.292 265 R C -1.499 174.933 176.300 0.220 0.000 1.008 265 R CA -0.564 55.604 56.100 0.113 0.000 0.896 265 R CB 1.467 31.776 30.300 0.015 0.000 1.187 265 R HN 0.803 nan 8.270 nan 0.000 0.440 266 D N 4.719 125.252 120.400 0.221 0.000 2.338 266 D HA 0.061 4.701 4.640 -0.000 0.000 0.255 266 D C 0.407 176.657 176.300 -0.083 0.000 1.237 266 D CA 0.028 54.105 54.000 0.129 0.000 0.883 266 D CB 0.887 41.824 40.800 0.228 0.000 1.087 266 D HN 0.567 nan 8.370 nan 0.000 0.485 267 L N 3.398 124.458 121.223 -0.272 0.000 2.628 267 L HA 0.319 4.659 4.340 -0.000 0.000 0.229 267 L C 1.475 178.114 176.870 -0.385 0.000 1.137 267 L CA -0.007 54.673 54.840 -0.267 0.000 0.909 267 L CB -0.747 41.171 42.059 -0.234 0.000 1.137 267 L HN 0.693 nan 8.230 nan 0.000 0.470 268 G N 0.770 109.228 108.800 -0.571 0.000 2.698 268 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.233 268 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.233 268 G C -0.169 174.210 174.900 -0.869 0.000 1.352 268 G CA -0.486 44.225 45.100 -0.647 0.000 0.879 268 G HN 0.338 nan 8.290 nan 0.000 0.567 269 Q N 0.688 120.213 119.800 -0.458 0.000 2.837 269 Q HA 0.404 4.744 4.340 -0.000 0.000 0.235 269 Q C 1.148 177.022 176.000 -0.210 0.000 1.348 269 Q CA 0.426 56.063 55.803 -0.277 0.000 0.990 269 Q CB 0.053 28.752 28.738 -0.065 0.000 1.570 269 Q HN 0.795 nan 8.270 nan 0.000 0.575 270 S N -1.241 114.307 115.700 -0.252 0.000 2.666 270 S HA 0.216 4.686 4.470 -0.000 0.000 0.239 270 S C 0.843 175.343 174.600 -0.165 0.000 1.031 270 S CA -0.318 57.772 58.200 -0.183 0.000 1.015 270 S CB 0.798 63.887 63.200 -0.185 0.000 0.981 270 S HN 0.447 nan 8.310 nan 0.000 0.547 271 G N 1.494 110.182 108.800 -0.186 0.000 2.588 271 G HA2 0.437 4.397 3.960 -0.000 0.000 0.278 271 G HA3 0.437 4.397 3.960 -0.000 0.000 0.278 271 G C -0.263 174.539 174.900 -0.165 0.000 1.307 271 G CA -1.098 43.898 45.100 -0.173 0.000 1.016 271 G HN 0.399 nan 8.290 nan 0.000 0.503 272 R N -1.253 119.139 120.500 -0.180 0.000 2.585 272 R HA 0.109 4.449 4.340 -0.000 0.000 0.275 272 R C -0.304 175.895 176.300 -0.170 0.000 1.018 272 R CA -0.232 55.756 56.100 -0.186 0.000 1.072 272 R CB 0.550 30.699 30.300 -0.250 0.000 0.953 272 R HN 0.147 nan 8.270 nan 0.000 0.419 273 V N 3.331 123.178 119.914 -0.112 0.000 2.439 273 V HA 0.310 4.430 4.120 -0.000 0.000 0.271 273 V C 0.466 176.559 176.094 -0.003 0.000 1.040 273 V CA 0.071 62.343 62.300 -0.047 0.000 1.002 273 V CB 0.658 32.470 31.823 -0.019 0.000 1.000 273 V HN 0.898 nan 8.190 nan 0.000 0.477 274 A N 4.346 127.222 122.820 0.093 0.000 2.479 274 A HA 0.883 5.203 4.320 -0.000 0.000 0.296 274 A C -0.342 177.575 177.584 0.555 0.000 1.121 274 A CA -0.615 51.586 52.037 0.273 0.000 0.743 274 A CB 1.982 21.141 19.000 0.264 0.000 1.323 274 A HN 0.601 nan 8.150 nan 0.000 0.415 275 S N 1.953 117.966 115.700 0.521 0.000 2.498 275 S HA 0.620 5.090 4.470 -0.000 0.000 0.317 275 S C -2.807 171.916 174.600 0.205 0.000 1.090 275 S CA -0.993 57.424 58.200 0.361 0.000 1.089 275 S CB 1.360 64.737 63.200 0.294 0.000 0.997 275 S HN 0.502 nan 8.310 nan 0.000 0.470 276 P HA 0.133 nan 4.420 nan 0.000 0.268 276 P C 0.347 177.585 177.300 -0.103 0.000 1.205 276 P CA -0.184 62.654 63.100 -0.436 0.000 0.771 276 P CB 0.259 31.619 31.700 -0.566 0.000 0.858 277 T N -0.734 113.799 114.554 -0.036 0.000 2.814 277 T HA 0.430 4.780 4.350 -0.000 0.000 0.284 277 T C 1.507 176.179 174.700 -0.048 0.000 0.998 277 T CA -0.041 62.059 62.100 -0.001 0.000 0.935 277 T CB 0.124 69.054 68.868 0.104 0.000 1.167 277 T HN 0.261 nan 8.240 nan 0.000 0.545 278 A N 0.667 123.445 122.820 -0.071 0.000 1.978 278 A HA -0.050 4.270 4.320 -0.000 0.000 0.220 278 A C 2.481 180.045 177.584 -0.033 0.000 1.170 278 A CA 2.100 54.094 52.037 -0.072 0.000 0.636 278 A CB -1.466 17.472 19.000 -0.103 0.000 0.810 278 A HN 1.155 nan 8.150 nan 0.000 0.448 279 S N -1.658 114.032 115.700 -0.018 0.000 2.603 279 S HA 0.215 4.685 4.470 -0.000 0.000 0.220 279 S C 1.083 175.682 174.600 -0.002 0.000 0.967 279 S CA 0.646 58.844 58.200 -0.004 0.000 0.920 279 S CB -0.599 62.607 63.200 0.009 0.000 0.773 279 S HN 0.731 nan 8.310 nan 0.000 0.529 280 I N -0.059 120.505 120.570 -0.011 0.000 4.235 280 I HA -0.408 3.762 4.170 -0.000 0.000 0.088 280 I C 1.711 177.817 176.117 -0.018 0.000 0.530 280 I CA 2.019 63.325 61.300 0.010 0.000 1.179 280 I CB -0.928 37.119 38.000 0.078 0.000 1.046 280 I HN 0.578 nan 8.210 nan 0.000 0.176 281 R N 0.831 121.347 120.500 0.027 0.000 2.334 281 R HA 0.264 4.604 4.340 -0.000 0.000 0.216 281 R C 0.004 176.415 176.300 0.186 0.000 0.905 281 R CA 0.431 56.613 56.100 0.137 0.000 1.064 281 R CB 0.228 30.603 30.300 0.125 0.000 1.046 281 R HN 0.204 nan 8.270 nan 0.000 0.508 282 T N 1.363 115.968 114.554 0.085 0.000 2.794 282 T HA 0.336 4.686 4.350 -0.000 0.000 0.280 282 T C -1.432 173.388 174.700 0.199 0.000 0.987 282 T CA -0.328 61.905 62.100 0.222 0.000 0.993 282 T CB 0.830 69.793 68.868 0.157 0.000 0.939 282 T HN 0.189 nan 8.240 nan 0.000 0.449 283 W N 2.570 124.068 121.300 0.330 0.000 2.666 283 W HA 0.658 5.318 4.660 -0.000 0.000 0.334 283 W C -0.629 176.125 176.519 0.392 0.000 1.051 283 W CA -1.135 56.399 57.345 0.315 0.000 1.224 283 W CB 0.948 30.529 29.460 0.201 0.000 1.405 283 W HN 0.574 nan 8.180 nan 0.000 0.513 284 F N 4.304 124.482 119.950 0.380 0.000 2.469 284 F HA 0.753 5.279 4.527 -0.000 0.000 0.332 284 F C -0.736 175.106 175.800 0.071 0.000 1.103 284 F CA -0.983 57.073 58.000 0.093 0.000 0.979 284 F CB 0.668 39.734 39.000 0.110 0.000 1.137 284 F HN 0.136 nan 8.300 nan 0.000 0.463 285 I N 5.784 125.844 120.570 -0.849 0.000 2.466 285 I HA 0.182 4.351 4.170 -0.000 0.000 0.289 285 I C 0.069 175.557 176.117 -1.048 0.000 1.026 285 I CA -0.623 60.267 61.300 -0.683 0.000 1.078 285 I CB 1.890 39.704 38.000 -0.310 0.000 1.249 285 I HN 0.604 nan 8.210 nan 0.000 0.429 286 D N 3.546 123.515 120.400 -0.719 0.000 2.104 286 D HA -0.218 4.422 4.640 -0.000 0.000 0.194 286 D C 0.903 177.035 176.300 -0.280 0.000 0.994 286 D CA 1.829 55.574 54.000 -0.425 0.000 0.830 286 D CB 0.285 41.075 40.800 -0.017 0.000 0.959 286 D HN 0.713 nan 8.370 nan 0.000 0.452 287 D N -1.812 118.467 120.400 -0.201 0.000 2.615 287 D HA 0.107 4.747 4.640 -0.000 0.000 0.236 287 D C -0.347 175.891 176.300 -0.104 0.000 1.233 287 D CA -0.432 53.491 54.000 -0.129 0.000 0.829 287 D CB -0.330 40.425 40.800 -0.075 0.000 1.024 287 D HN 0.195 nan 8.370 nan 0.000 0.490 288 H N -0.271 118.608 119.070 -0.319 0.000 2.622 288 H HA 0.339 4.895 4.556 -0.000 0.000 0.363 288 H C 0.201 175.289 175.328 -0.399 0.000 1.151 288 H CA -0.784 55.080 56.048 -0.307 0.000 1.184 288 H CB 1.754 31.349 29.762 -0.279 0.000 1.643 288 H HN -0.277 nan 8.280 nan 0.000 0.531 289 D N 2.124 121.952 120.400 -0.954 0.000 2.348 289 D HA -0.037 4.603 4.640 -0.000 0.000 0.216 289 D C -0.454 175.103 176.300 -1.238 0.000 0.970 289 D CA 1.104 54.457 54.000 -1.078 0.000 0.889 289 D CB 0.117 40.155 40.800 -1.271 0.000 0.912 289 D HN 0.386 nan 8.370 nan 0.000 0.524 290 Y N -1.381 118.562 120.300 -0.595 0.000 2.524 290 Y HA 0.352 4.902 4.550 -0.000 0.000 0.347 290 Y C -0.088 175.716 175.900 -0.160 0.000 1.005 290 Y CA -1.376 56.549 58.100 -0.291 0.000 1.025 290 Y CB 1.089 39.378 38.460 -0.285 0.000 1.275 290 Y HN -0.335 nan 8.280 nan 0.000 0.460 291 F N 2.491 122.502 119.950 0.102 0.000 2.450 291 F HA 0.338 4.865 4.527 -0.000 0.000 0.339 291 F C 0.139 176.033 175.800 0.156 0.000 1.146 291 F CA 0.028 58.124 58.000 0.161 0.000 1.267 291 F CB 0.416 39.514 39.000 0.163 0.000 1.178 291 F HN 0.185 nan 8.300 nan 0.000 0.585 292 I N 2.840 123.664 120.570 0.425 0.000 2.382 292 I HA 0.241 4.410 4.170 -0.000 0.000 0.286 292 I C -0.426 175.974 176.117 0.470 0.000 1.002 292 I CA -0.667 60.844 61.300 0.352 0.000 1.135 292 I CB 1.523 39.689 38.000 0.278 0.000 1.288 292 I HN 0.465 nan 8.210 nan 0.000 0.448 293 K N 5.647 126.281 120.400 0.391 0.000 2.293 293 K HA 0.680 5.000 4.320 -0.000 0.000 0.267 293 K C -0.317 176.468 176.600 0.310 0.000 1.010 293 K CA -0.329 56.158 56.287 0.334 0.000 0.875 293 K CB 1.492 34.114 32.500 0.203 0.000 1.106 293 K HN 0.797 nan 8.250 nan 0.000 0.450 294 G N 1.452 110.443 108.800 0.318 0.000 2.644 294 G HA2 0.325 4.285 3.960 -0.000 0.000 0.307 294 G HA3 0.325 4.285 3.960 -0.000 0.000 0.307 294 G C -1.023 173.960 174.900 0.139 0.000 1.250 294 G CA -0.692 44.535 45.100 0.211 0.000 0.996 294 G HN 0.558 nan 8.290 nan 0.000 0.489 295 S N -0.927 114.800 115.700 0.045 0.000 2.565 295 S HA 0.444 4.914 4.470 -0.000 0.000 0.276 295 S C -0.611 173.980 174.600 -0.014 0.000 1.326 295 S CA -0.136 58.053 58.200 -0.018 0.000 1.045 295 S CB 1.282 64.422 63.200 -0.101 0.000 0.918 295 S HN 0.534 nan 8.310 nan 0.000 0.505 296 L N 3.390 124.578 121.223 -0.058 0.000 2.504 296 L HA 0.449 4.789 4.340 -0.000 0.000 0.265 296 L C -0.982 175.806 176.870 -0.136 0.000 0.975 296 L CA -0.373 54.390 54.840 -0.129 0.000 0.864 296 L CB 1.089 43.037 42.059 -0.185 0.000 1.212 296 L HN 0.412 nan 8.230 nan 0.000 0.416 297 N N 3.719 122.351 118.700 -0.114 0.000 3.115 297 N HA 0.197 4.937 4.740 -0.000 0.000 0.305 297 N C -0.854 174.589 175.510 -0.113 0.000 1.305 297 N CA 0.205 53.203 53.050 -0.087 0.000 1.154 297 N CB -0.001 38.466 38.487 -0.034 0.000 1.454 297 N HN 0.282 nan 8.380 nan 0.000 0.551 298 V N 0.153 119.952 119.914 -0.191 0.000 2.604 298 V HA 0.338 4.458 4.120 -0.000 0.000 0.305 298 V C 0.543 176.471 176.094 -0.277 0.000 1.043 298 V CA -1.084 61.045 62.300 -0.285 0.000 0.888 298 V CB 2.500 34.004 31.823 -0.532 0.000 0.995 298 V HN 0.184 nan 8.190 nan 0.000 0.429 299 R N 4.105 124.460 120.500 -0.240 0.000 2.291 299 R HA 0.486 4.826 4.340 -0.000 0.000 0.333 299 R C -1.033 175.128 176.300 -0.230 0.000 1.082 299 R CA -0.041 55.951 56.100 -0.181 0.000 0.948 299 R CB 0.036 30.267 30.300 -0.115 0.000 1.009 299 R HN 0.648 nan 8.270 nan 0.000 0.460 300 I N 3.883 124.333 120.570 -0.200 0.000 2.378 300 I HA 0.122 4.292 4.170 -0.000 0.000 0.291 300 I C 0.522 176.573 176.117 -0.110 0.000 0.992 300 I CA -0.630 60.556 61.300 -0.189 0.000 1.154 300 I CB 2.139 40.018 38.000 -0.203 0.000 1.315 300 I HN 0.802 nan 8.210 nan 0.000 0.448 301 T N 1.820 116.321 114.554 -0.089 0.000 3.720 301 T HA -0.283 4.067 4.350 -0.000 0.000 0.381 301 T C 0.642 175.352 174.700 0.016 0.000 0.763 301 T CA 0.966 63.046 62.100 -0.034 0.000 1.957 301 T CB -1.724 67.074 68.868 -0.116 0.000 1.767 301 T HN 1.017 nan 8.240 nan 0.000 0.743 302 N N -2.151 116.543 118.700 -0.009 0.000 2.828 302 N HA -0.179 4.560 4.740 -0.000 0.000 0.248 302 N C -0.450 175.047 175.510 -0.020 0.000 1.044 302 N CA 1.388 54.434 53.050 -0.008 0.000 0.851 302 N CB -1.628 36.868 38.487 0.016 0.000 1.136 302 N HN 1.062 nan 8.380 nan 0.000 0.572 303 C N -0.184 119.093 119.300 -0.038 0.000 2.535 303 C HA 0.613 5.072 4.460 -0.000 0.000 0.319 303 C C 0.175 175.128 174.990 -0.062 0.000 1.171 303 C CA -1.086 57.910 59.018 -0.037 0.000 1.394 303 C CB 1.626 29.353 27.740 -0.023 0.000 1.990 303 C HN 0.138 nan 8.230 nan 0.000 0.466 304 V N 3.855 123.737 119.914 -0.052 0.000 2.304 304 V HA 0.318 4.438 4.120 -0.000 0.000 0.262 304 V C 0.305 176.370 176.094 -0.048 0.000 1.061 304 V CA -0.119 62.143 62.300 -0.064 0.000 0.872 304 V CB 0.335 32.127 31.823 -0.050 0.000 1.077 304 V HN 0.734 nan 8.190 nan 0.000 0.480 305 R N 4.962 125.428 120.500 -0.056 0.000 2.216 305 R HA 0.417 4.757 4.340 -0.000 0.000 0.332 305 R C -0.235 176.034 176.300 -0.052 0.000 1.056 305 R CA -0.026 56.050 56.100 -0.040 0.000 0.901 305 R CB 0.336 30.619 30.300 -0.029 0.000 1.039 305 R HN 0.635 nan 8.270 nan 0.000 0.456 306 K N 3.023 123.390 120.400 -0.055 0.000 2.156 306 K HA 0.305 4.625 4.320 -0.000 0.000 0.254 306 K C -0.584 175.957 176.600 -0.099 0.000 0.950 306 K CA -1.138 55.101 56.287 -0.079 0.000 0.849 306 K CB 1.127 33.577 32.500 -0.084 0.000 1.100 306 K HN 0.624 nan 8.250 nan 0.000 0.434 307 N N 0.901 119.534 118.700 -0.112 0.000 2.469 307 N HA 0.258 4.998 4.740 -0.000 0.000 0.239 307 N C -0.555 174.811 175.510 -0.240 0.000 1.053 307 N CA -0.562 52.398 53.050 -0.149 0.000 0.937 307 N CB 1.155 39.589 38.487 -0.089 0.000 1.163 307 N HN 0.618 nan 8.380 nan 0.000 0.509 308 A N 2.511 125.077 122.820 -0.422 0.000 2.346 308 A HA 0.163 4.483 4.320 -0.000 0.000 0.255 308 A C 1.287 178.507 177.584 -0.606 0.000 1.113 308 A CA -0.596 51.058 52.037 -0.639 0.000 0.798 308 A CB -0.082 18.130 19.000 -1.313 0.000 1.073 308 A HN 0.920 nan 8.150 nan 0.000 0.502 309 W N 0.088 121.077 121.300 -0.518 0.000 2.358 309 W HA -0.290 4.370 4.660 -0.000 0.000 0.303 309 W C 1.486 177.833 176.519 -0.286 0.000 1.208 309 W CA 1.895 59.028 57.345 -0.352 0.000 1.274 309 W CB -1.231 28.026 29.460 -0.338 0.000 1.138 309 W HN 0.883 nan 8.180 nan 0.000 0.515 310 Y N 0.615 120.159 120.300 -1.260 0.000 2.352 310 Y HA 0.071 4.621 4.550 -0.000 0.000 0.292 310 Y C 2.199 177.816 175.900 -0.471 0.000 1.136 310 Y CA 1.566 58.953 58.100 -1.187 0.000 1.227 310 Y CB -1.258 36.280 38.460 -1.537 0.000 0.991 310 Y HN 0.022 nan 8.280 nan 0.000 0.545 311 E N 1.035 120.913 120.200 -0.537 0.000 2.107 311 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 311 E C 2.062 178.595 176.600 -0.111 0.000 0.982 311 E CA 0.998 57.264 56.400 -0.223 0.000 0.809 311 E CB -0.162 29.371 29.700 -0.279 0.000 0.756 311 E HN 0.531 nan 8.360 nan 0.000 0.459 312 L N 1.217 122.364 121.223 -0.127 0.000 2.131 312 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 312 L C 2.350 179.245 176.870 0.041 0.000 1.092 312 L CA 0.794 55.625 54.840 -0.015 0.000 0.759 312 L CB -0.247 41.811 42.059 -0.003 0.000 0.903 312 L HN 0.076 nan 8.230 nan 0.000 0.435 313 E N -0.025 120.198 120.200 0.039 0.000 2.072 313 E HA -0.128 4.222 4.350 -0.000 0.000 0.190 313 E C 2.379 179.022 176.600 0.073 0.000 0.982 313 E CA 1.580 58.035 56.400 0.090 0.000 0.803 313 E CB -0.184 29.600 29.700 0.140 0.000 0.755 313 E HN 0.515 nan 8.360 nan 0.000 0.453 314 S N 0.395 116.122 115.700 0.044 0.000 2.453 314 S HA -0.060 4.410 4.470 -0.000 0.000 0.231 314 S C 2.074 176.716 174.600 0.071 0.000 1.005 314 S CA 1.170 59.400 58.200 0.050 0.000 0.949 314 S CB -0.504 62.717 63.200 0.035 0.000 0.774 314 S HN 0.074 nan 8.310 nan 0.000 0.510 315 T N 3.060 117.671 114.554 0.096 0.000 2.665 315 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 315 T C 1.907 176.710 174.700 0.172 0.000 1.035 315 T CA 1.764 63.965 62.100 0.168 0.000 1.151 315 T CB -0.776 68.188 68.868 0.159 0.000 0.862 315 T HN 0.342 nan 8.240 nan 0.000 0.438 316 V N 1.602 121.593 119.914 0.128 0.000 2.332 316 V HA -0.137 3.983 4.120 -0.000 0.000 0.248 316 V C 2.499 178.640 176.094 0.078 0.000 1.055 316 V CA 1.501 63.869 62.300 0.113 0.000 1.038 316 V CB -0.838 31.046 31.823 0.102 0.000 0.651 316 V HN 0.446 nan 8.190 nan 0.000 0.450 317 L N -0.896 120.361 121.223 0.057 0.000 2.109 317 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 317 L C 2.397 179.247 176.870 -0.033 0.000 1.086 317 L CA 1.515 56.369 54.840 0.023 0.000 0.760 317 L CB -0.431 41.646 42.059 0.030 0.000 0.910 317 L HN 0.267 nan 8.230 nan 0.000 0.437 318 I N 0.074 120.611 120.570 -0.055 0.000 2.286 318 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 318 I C 2.198 178.141 176.117 -0.291 0.000 1.104 318 I CA 1.433 62.623 61.300 -0.184 0.000 1.397 318 I CB -0.240 37.650 38.000 -0.183 0.000 1.072 318 I HN 0.281 nan 8.210 nan 0.000 0.417 319 D N 0.919 121.202 120.400 -0.195 0.000 2.116 319 D HA -0.267 4.373 4.640 -0.000 0.000 0.193 319 D C 2.317 178.640 176.300 0.037 0.000 0.998 319 D CA 1.541 55.550 54.000 0.015 0.000 0.836 319 D CB -0.002 40.964 40.800 0.277 0.000 0.951 319 D HN 0.048 nan 8.370 nan 0.000 0.449 320 R N -0.705 119.803 120.500 0.013 0.000 2.080 320 R HA -0.148 4.192 4.340 -0.000 0.000 0.236 320 R C 2.321 178.584 176.300 -0.062 0.000 1.137 320 R CA 1.286 57.387 56.100 0.001 0.000 0.943 320 R CB -0.538 29.766 30.300 0.006 0.000 0.846 320 R HN 0.269 nan 8.270 nan 0.000 0.431 321 L N 0.206 121.341 121.223 -0.146 0.000 2.013 321 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 321 L C 1.866 178.520 176.870 -0.359 0.000 1.073 321 L CA 1.824 56.478 54.840 -0.310 0.000 0.753 321 L CB -0.685 41.113 42.059 -0.436 0.000 0.890 321 L HN 0.137 nan 8.230 nan 0.000 0.432 322 F N -0.297 119.472 119.950 -0.301 0.000 2.171 322 F HA -0.151 4.376 4.527 -0.000 0.000 0.300 322 F C 2.783 178.504 175.800 -0.131 0.000 1.090 322 F CA 1.717 59.571 58.000 -0.243 0.000 1.293 322 F CB -0.382 38.465 39.000 -0.255 0.000 1.013 322 F HN 0.072 nan 8.300 nan 0.000 0.486 323 R N 0.191 120.741 120.500 0.082 0.000 2.075 323 R HA -0.173 4.166 4.340 -0.000 0.000 0.232 323 R C 2.135 178.440 176.300 0.008 0.000 1.126 323 R CA 1.546 57.682 56.100 0.059 0.000 0.963 323 R CB -0.189 30.149 30.300 0.063 0.000 0.858 323 R HN 0.330 nan 8.270 nan 0.000 0.435 324 Q N 0.004 119.782 119.800 -0.038 0.000 2.079 324 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 324 Q C 2.194 178.180 176.000 -0.023 0.000 0.974 324 Q CA 1.454 57.236 55.803 -0.035 0.000 0.840 324 Q CB -0.009 28.693 28.738 -0.059 0.000 0.898 324 Q HN 0.365 nan 8.270 nan 0.000 0.430 325 L N 0.083 121.228 121.223 -0.129 0.000 2.027 325 L HA -0.189 4.151 4.340 -0.000 0.000 0.206 325 L C 2.275 179.123 176.870 -0.037 0.000 1.074 325 L CA 0.878 55.629 54.840 -0.148 0.000 0.745 325 L CB -0.390 41.392 42.059 -0.462 0.000 0.898 325 L HN 0.243 nan 8.230 nan 0.000 0.433 326 L N -0.220 120.994 121.223 -0.015 0.000 2.042 326 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 326 L C 2.294 179.174 176.870 0.016 0.000 1.076 326 L CA 1.480 56.334 54.840 0.023 0.000 0.749 326 L CB -0.500 41.592 42.059 0.055 0.000 0.893 326 L HN 0.321 nan 8.230 nan 0.000 0.432 327 D N -0.598 119.809 120.400 0.011 0.000 2.103 327 D HA -0.173 4.467 4.640 -0.000 0.000 0.199 327 D C 2.120 178.406 176.300 -0.023 0.000 0.978 327 D CA 1.445 55.445 54.000 0.000 0.000 0.829 327 D CB 0.181 40.983 40.800 0.003 0.000 0.981 327 D HN 0.322 nan 8.370 nan 0.000 0.464 328 Q N -1.836 117.944 119.800 -0.034 0.000 2.378 328 Q HA 0.139 4.479 4.340 -0.000 0.000 0.229 328 Q C 0.487 176.291 176.000 -0.328 0.000 0.882 328 Q CA 0.320 56.028 55.803 -0.159 0.000 0.936 328 Q CB 0.856 29.494 28.738 -0.166 0.000 1.092 328 Q HN 0.430 nan 8.270 nan 0.000 0.535 329 H N -0.894 118.168 119.070 -0.013 0.000 2.549 329 H HA 0.387 4.943 4.556 -0.000 0.000 0.253 329 H C 0.804 176.146 175.328 0.024 0.000 1.170 329 H CA 0.197 56.263 56.048 0.030 0.000 0.943 329 H CB 0.861 30.658 29.762 0.059 0.000 1.849 329 H HN 0.191 nan 8.280 nan 0.000 0.603 330 A N 0.809 123.673 122.820 0.073 0.000 1.940 330 A HA -0.191 4.128 4.320 -0.000 0.000 0.219 330 A C 1.775 179.402 177.584 0.072 0.000 1.176 330 A CA 1.683 53.754 52.037 0.056 0.000 0.631 330 A CB -0.078 18.938 19.000 0.026 0.000 0.814 330 A HN 0.210 nan 8.150 nan 0.000 0.446 331 D N -0.602 119.841 120.400 0.073 0.000 2.310 331 D HA -0.064 4.576 4.640 -0.000 0.000 0.212 331 D C 1.555 177.915 176.300 0.100 0.000 0.965 331 D CA 1.672 55.713 54.000 0.069 0.000 0.879 331 D CB -0.277 40.553 40.800 0.050 0.000 0.921 331 D HN 0.646 nan 8.370 nan 0.000 0.510 332 T N -2.590 112.062 114.554 0.163 0.000 3.174 332 T HA 0.260 4.610 4.350 -0.000 0.000 0.269 332 T C 1.353 176.195 174.700 0.238 0.000 1.017 332 T CA -0.250 61.974 62.100 0.206 0.000 0.899 332 T CB -0.140 68.887 68.868 0.265 0.000 1.077 332 T HN 0.047 nan 8.240 nan 0.000 0.552 333 L N 0.728 122.043 121.223 0.154 0.000 2.693 333 L HA 0.413 4.753 4.340 -0.000 0.000 0.235 333 L C 1.764 178.686 176.870 0.086 0.000 1.127 333 L CA 0.122 55.026 54.840 0.107 0.000 0.914 333 L CB -0.160 41.925 42.059 0.044 0.000 1.193 333 L HN 0.567 nan 8.230 nan 0.000 0.502 334 G N 0.622 109.470 108.800 0.080 0.000 2.225 334 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.267 334 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.267 334 G C 0.948 175.862 174.900 0.024 0.000 1.024 334 G CA 0.434 45.568 45.100 0.057 0.000 0.784 334 G HN 0.673 nan 8.290 nan 0.000 0.507 335 G N -1.946 106.866 108.800 0.020 0.000 2.137 335 G HA2 0.019 3.979 3.960 -0.000 0.000 0.237 335 G HA3 0.019 3.979 3.960 -0.000 0.000 0.237 335 G C 0.520 175.415 174.900 -0.009 0.000 1.002 335 G CA 0.406 45.504 45.100 -0.003 0.000 0.702 335 G HN 1.969 nan 8.290 nan 0.000 0.515 336 L N 0.540 121.771 121.223 0.014 0.000 2.615 336 L HA 0.443 4.783 4.340 -0.000 0.000 0.284 336 L C 0.243 177.113 176.870 -0.000 0.000 1.237 336 L CA 0.490 55.341 54.840 0.019 0.000 0.905 336 L CB 0.909 43.009 42.059 0.069 0.000 1.149 336 L HN 0.273 nan 8.230 nan 0.000 0.499 337 V N 5.624 125.518 119.914 -0.033 0.000 2.525 337 V HA 0.858 4.978 4.120 -0.000 0.000 0.299 337 V C -0.090 175.951 176.094 -0.089 0.000 1.034 337 V CA -0.012 62.255 62.300 -0.055 0.000 0.863 337 V CB 1.093 32.864 31.823 -0.087 0.000 0.999 337 V HN 1.109 nan 8.190 nan 0.000 0.423 338 A N 3.681 126.455 122.820 -0.076 0.000 2.475 338 A HA 0.972 5.292 4.320 -0.000 0.000 0.301 338 A C -0.258 177.264 177.584 -0.103 0.000 1.059 338 A CA -0.333 51.625 52.037 -0.132 0.000 0.710 338 A CB 1.808 20.702 19.000 -0.176 0.000 1.288 338 A HN 1.386 nan 8.150 nan 0.000 0.408 339 A N 0.969 123.692 122.820 -0.163 0.000 2.328 339 A HA 0.669 4.989 4.320 -0.000 0.000 0.284 339 A C 0.669 178.179 177.584 -0.123 0.000 1.160 339 A CA 0.282 52.276 52.037 -0.072 0.000 0.818 339 A CB 0.013 19.019 19.000 0.009 0.000 1.087 339 A HN 2.225 nan 8.150 nan 0.000 0.504 340 A N 2.329 125.167 122.820 0.030 0.000 2.386 340 A HA 0.521 4.841 4.320 -0.000 0.000 0.248 340 A C 0.189 177.782 177.584 0.014 0.000 1.082 340 A CA -0.233 51.873 52.037 0.116 0.000 0.789 340 A CB 0.127 19.223 19.000 0.161 0.000 1.025 340 A HN 0.801 nan 8.150 nan 0.000 0.490 341 E N 1.760 122.033 120.200 0.121 0.000 3.303 341 E HA 0.187 4.537 4.350 -0.000 0.000 0.215 341 E C -2.218 174.471 176.600 0.148 0.000 1.181 341 E CA -1.395 55.044 56.400 0.066 0.000 0.998 341 E CB 1.132 30.818 29.700 -0.025 0.000 1.312 341 E HN 0.514 nan 8.360 nan 0.000 0.412 342 P HA 0.075 nan 4.420 nan 0.000 0.255 342 P C 0.122 177.430 177.300 0.014 0.000 1.301 342 P CA 0.200 63.345 63.100 0.074 0.000 0.817 342 P CB 0.582 32.330 31.700 0.080 0.000 1.259 343 G N -0.895 107.904 108.800 -0.002 0.000 2.760 343 G HA2 0.493 4.453 3.960 -0.000 0.000 0.296 343 G HA3 0.493 4.453 3.960 -0.000 0.000 0.296 343 G C -1.909 173.079 174.900 0.147 0.000 1.427 343 G CA -0.216 44.896 45.100 0.020 0.000 1.109 343 G HN -0.105 nan 8.290 nan 0.000 0.553 344 V N 1.317 121.349 119.914 0.198 0.000 2.760 344 V HA 0.792 4.912 4.120 -0.000 0.000 0.309 344 V C -0.699 175.495 176.094 0.167 0.000 1.077 344 V CA -0.914 61.516 62.300 0.216 0.000 0.910 344 V CB 1.756 33.666 31.823 0.144 0.000 1.008 344 V HN 0.848 nan 8.190 nan 0.000 0.424 345 V N 3.872 123.813 119.914 0.045 0.000 2.789 345 V HA 0.980 5.100 4.120 -0.000 0.000 0.311 345 V C -0.453 175.601 176.094 -0.068 0.000 1.073 345 V CA 0.243 62.511 62.300 -0.052 0.000 0.921 345 V CB 2.474 34.152 31.823 -0.242 0.000 1.009 345 V HN 1.237 nan 8.190 nan 0.000 0.426 346 S N 4.530 120.262 115.700 0.054 0.000 2.596 346 S HA 0.760 5.230 4.470 -0.000 0.000 0.270 346 S C -1.672 173.093 174.600 0.274 0.000 1.155 346 S CA -0.748 57.512 58.200 0.099 0.000 0.827 346 S CB 1.749 64.989 63.200 0.067 0.000 1.130 346 S HN 1.218 nan 8.310 nan 0.000 0.467 347 W N 1.604 122.953 121.300 0.082 0.000 2.998 347 W HA 0.714 5.374 4.660 -0.000 0.000 0.335 347 W C -0.981 175.631 176.519 0.156 0.000 1.110 347 W CA 0.009 57.421 57.345 0.111 0.000 1.230 347 W CB 2.101 31.576 29.460 0.026 0.000 1.405 347 W HN 1.199 nan 8.180 nan 0.000 0.493 348 S N 4.254 119.489 115.700 -0.774 0.000 2.556 348 S HA 0.680 5.150 4.470 -0.000 0.000 0.271 348 S C -3.084 170.523 174.600 -1.656 0.000 1.135 348 S CA -1.702 55.896 58.200 -1.003 0.000 0.858 348 S CB 2.188 65.237 63.200 -0.252 0.000 1.114 348 S HN 0.211 nan 8.310 nan 0.000 0.468 349 P HA 0.254 nan 4.420 nan 0.000 0.265 349 P C 0.802 177.797 177.300 -0.508 0.000 1.193 349 P CA -0.003 62.575 63.100 -0.870 0.000 0.765 349 P CB 0.375 31.761 31.700 -0.523 0.000 0.823 350 A N 4.339 126.944 122.820 -0.358 0.000 1.917 350 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 350 A C 1.824 179.303 177.584 -0.174 0.000 1.182 350 A CA 2.125 54.017 52.037 -0.242 0.000 0.633 350 A CB -1.406 17.495 19.000 -0.164 0.000 0.819 350 A HN 0.550 nan 8.150 nan 0.000 0.448 351 A N -0.999 121.732 122.820 -0.147 0.000 2.411 351 A HA 0.646 4.965 4.320 -0.000 0.000 0.251 351 A C 0.926 178.447 177.584 -0.105 0.000 1.317 351 A CA 0.474 52.449 52.037 -0.104 0.000 0.904 351 A CB -1.019 17.937 19.000 -0.072 0.000 0.993 351 A HN 0.917 nan 8.150 nan 0.000 0.504 352 A N -0.110 122.625 122.820 -0.143 0.000 2.371 352 A HA 0.565 4.885 4.320 -0.000 0.000 0.257 352 A C 0.973 178.501 177.584 -0.094 0.000 1.089 352 A CA 0.236 52.205 52.037 -0.114 0.000 0.794 352 A CB -0.049 18.863 19.000 -0.147 0.000 1.029 352 A HN 0.807 nan 8.150 nan 0.000 0.488 353 G N -0.456 108.302 108.800 -0.069 0.000 2.651 353 G HA2 0.310 4.270 3.960 -0.000 0.000 0.260 353 G HA3 0.310 4.270 3.960 -0.000 0.000 0.260 353 G C 0.690 175.509 174.900 -0.135 0.000 1.216 353 G CA 0.409 45.458 45.100 -0.084 0.000 0.913 353 G HN 0.942 nan 8.290 nan 0.000 0.535 354 E N -0.539 119.547 120.200 -0.190 0.000 2.058 354 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 354 E C 2.298 178.579 176.600 -0.532 0.000 0.997 354 E CA 0.885 57.054 56.400 -0.386 0.000 0.801 354 E CB -0.121 29.382 29.700 -0.329 0.000 0.746 354 E HN 0.283 nan 8.360 nan 0.000 0.450 355 L N 1.486 122.558 121.223 -0.252 0.000 2.072 355 L HA -0.133 4.207 4.340 -0.000 0.000 0.205 355 L C 1.973 178.874 176.870 0.052 0.000 1.079 355 L CA 1.608 56.389 54.840 -0.098 0.000 0.752 355 L CB -0.543 41.513 42.059 -0.005 0.000 0.906 355 L HN 0.139 nan 8.230 nan 0.000 0.436 356 D N -1.498 118.941 120.400 0.065 0.000 2.117 356 D HA -0.174 4.466 4.640 -0.000 0.000 0.197 356 D C 2.411 178.943 176.300 0.387 0.000 0.987 356 D CA 1.444 55.590 54.000 0.243 0.000 0.829 356 D CB -0.082 40.840 40.800 0.202 0.000 0.961 356 D HN 0.226 nan 8.370 nan 0.000 0.460 357 S N -0.424 115.353 115.700 0.128 0.000 2.368 357 S HA -0.198 4.272 4.470 -0.000 0.000 0.225 357 S C 1.829 176.540 174.600 0.186 0.000 1.030 357 S CA 1.073 59.323 58.200 0.082 0.000 0.999 357 S CB -0.218 62.918 63.200 -0.107 0.000 0.844 357 S HN 0.247 nan 8.310 nan 0.000 0.459 358 H N -0.988 118.125 119.070 0.072 0.000 2.353 358 H HA -0.042 4.514 4.556 -0.000 0.000 0.300 358 H C 1.600 177.047 175.328 0.199 0.000 1.090 358 H CA 1.289 57.404 56.048 0.111 0.000 1.327 358 H CB -0.989 28.877 29.762 0.174 0.000 1.383 358 H HN 0.673 nan 8.280 nan 0.000 0.508 359 W N 0.755 122.179 121.300 0.206 0.000 2.355 359 W HA -0.186 4.474 4.660 -0.000 0.000 0.309 359 W C 1.892 178.463 176.519 0.088 0.000 1.206 359 W CA 1.372 58.773 57.345 0.094 0.000 1.284 359 W CB -0.816 28.638 29.460 -0.009 0.000 1.145 359 W HN 0.002 nan 8.180 nan 0.000 0.502 360 F N 0.497 120.602 119.950 0.259 0.000 2.171 360 F HA -0.134 4.393 4.527 -0.000 0.000 0.300 360 F C 2.570 178.341 175.800 -0.047 0.000 1.090 360 F CA 2.069 60.147 58.000 0.130 0.000 1.293 360 F CB -0.688 38.489 39.000 0.296 0.000 1.013 360 F HN -0.227 nan 8.300 nan 0.000 0.486 361 R N -0.229 120.363 120.500 0.154 0.000 2.090 361 R HA -0.141 4.198 4.340 -0.000 0.000 0.228 361 R C 2.253 178.520 176.300 -0.054 0.000 1.110 361 R CA 1.177 57.305 56.100 0.047 0.000 0.973 361 R CB -0.466 29.838 30.300 0.007 0.000 0.869 361 R HN 0.262 nan 8.270 nan 0.000 0.440 362 E N 0.896 121.035 120.200 -0.103 0.000 2.110 362 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 362 E C 1.683 178.109 176.600 -0.289 0.000 0.988 362 E CA 1.223 57.511 56.400 -0.186 0.000 0.804 362 E CB 0.251 29.842 29.700 -0.182 0.000 0.745 362 E HN 0.276 nan 8.360 nan 0.000 0.458 363 Q N -0.288 119.233 119.800 -0.464 0.000 2.083 363 Q HA -0.076 4.264 4.340 -0.000 0.000 0.198 363 Q C 2.188 177.912 176.000 -0.460 0.000 0.969 363 Q CA 2.009 57.476 55.803 -0.559 0.000 0.838 363 Q CB -0.341 27.879 28.738 -0.863 0.000 0.900 363 Q HN 0.444 nan 8.270 nan 0.000 0.436 364 T N -2.776 111.565 114.554 -0.356 0.000 3.086 364 T HA 0.256 4.606 4.350 -0.000 0.000 0.250 364 T C 0.957 175.551 174.700 -0.177 0.000 1.074 364 T CA 0.159 62.087 62.100 -0.287 0.000 0.988 364 T CB -0.030 68.763 68.868 -0.124 0.000 0.988 364 T HN 0.153 nan 8.240 nan 0.000 0.530 365 G N 0.313 109.025 108.800 -0.145 0.000 2.305 365 G HA2 0.459 4.419 3.960 -0.000 0.000 0.243 365 G HA3 0.459 4.419 3.960 -0.000 0.000 0.243 365 G C 0.102 174.942 174.900 -0.100 0.000 1.288 365 G CA -0.065 44.973 45.100 -0.103 0.000 0.901 365 G HN 0.687 nan 8.290 nan 0.000 0.516 366 G N 0.258 108.988 108.800 -0.118 0.000 2.706 366 G HA2 0.583 4.543 3.960 -0.000 0.000 0.297 366 G HA3 0.583 4.543 3.960 -0.000 0.000 0.297 366 G C -1.201 173.824 174.900 0.209 0.000 1.403 366 G CA -0.726 44.333 45.100 -0.068 0.000 0.954 366 G HN 0.668 nan 8.290 nan 0.000 0.500 367 I N 1.168 122.005 120.570 0.445 0.000 2.499 367 I HA 0.330 4.499 4.170 -0.000 0.000 0.288 367 I C -0.464 175.810 176.117 0.261 0.000 1.048 367 I CA -0.660 60.857 61.300 0.362 0.000 1.062 367 I CB 2.363 40.471 38.000 0.180 0.000 1.238 367 I HN 0.174 nan 8.210 nan 0.000 0.426 368 L N 6.284 127.513 121.223 0.011 0.000 2.281 368 L HA 0.510 4.850 4.340 -0.000 0.000 0.285 368 L C 0.124 176.971 176.870 -0.039 0.000 1.074 368 L CA -0.306 54.384 54.840 -0.251 0.000 0.817 368 L CB 0.815 42.426 42.059 -0.745 0.000 1.168 368 L HN 0.534 nan 8.230 nan 0.000 0.434 369 R N 3.240 123.807 120.500 0.112 0.000 2.445 369 R HA 0.192 4.532 4.340 -0.000 0.000 0.308 369 R C -0.115 176.388 176.300 0.339 0.000 0.961 369 R CA -0.689 55.498 56.100 0.143 0.000 0.862 369 R CB 1.326 31.645 30.300 0.033 0.000 1.144 369 R HN 0.617 nan 8.270 nan 0.000 0.447 370 E N 3.240 123.604 120.200 0.274 0.000 2.820 370 E HA -0.217 4.133 4.350 -0.000 0.000 0.251 370 E C -0.760 175.966 176.600 0.210 0.000 0.944 370 E CA 0.299 56.835 56.400 0.227 0.000 0.955 370 E CB 0.406 30.204 29.700 0.164 0.000 0.904 370 E HN 0.406 nan 8.360 nan 0.000 0.513 371 N N 5.442 124.112 118.700 -0.050 0.000 2.508 371 N HA -0.027 4.713 4.740 -0.000 0.000 0.253 371 N C 0.404 175.742 175.510 -0.287 0.000 1.145 371 N CA -0.339 52.536 53.050 -0.292 0.000 0.973 371 N CB -0.336 37.835 38.487 -0.528 0.000 1.305 371 N HN 0.505 nan 8.380 nan 0.000 0.506 372 F N 0.419 120.395 119.950 0.044 0.000 2.408 372 F HA -0.012 4.515 4.527 -0.000 0.000 0.300 372 F C 1.998 177.741 175.800 -0.095 0.000 1.090 372 F CA -0.265 57.708 58.000 -0.045 0.000 1.427 372 F CB -0.944 38.020 39.000 -0.060 0.000 1.070 372 F HN 0.285 nan 8.300 nan 0.000 0.549 373 C N 1.540 120.659 119.300 -0.301 0.000 2.413 373 C HA -0.142 4.318 4.460 -0.000 0.000 0.276 373 C C 2.940 177.885 174.990 -0.076 0.000 1.248 373 C CA 0.768 59.700 59.018 -0.143 0.000 1.742 373 C CB -0.958 26.675 27.740 -0.177 0.000 2.017 373 C HN 0.468 nan 8.230 nan 0.000 0.481 374 R N 0.683 121.113 120.500 -0.118 0.000 2.133 374 R HA -0.181 4.159 4.340 -0.000 0.000 0.247 374 R C 2.227 178.492 176.300 -0.059 0.000 1.151 374 R CA 1.458 57.499 56.100 -0.100 0.000 0.971 374 R CB -0.731 29.479 30.300 -0.150 0.000 0.866 374 R HN 0.639 nan 8.270 nan 0.000 0.447 375 R N 0.067 120.546 120.500 -0.035 0.000 2.080 375 R HA -0.018 4.322 4.340 -0.000 0.000 0.222 375 R C 1.490 177.785 176.300 -0.008 0.000 1.107 375 R CA 1.477 57.567 56.100 -0.015 0.000 0.980 375 R CB 0.127 30.430 30.300 0.005 0.000 0.879 375 R HN 0.085 nan 8.270 nan 0.000 0.439 376 T N -0.566 113.995 114.554 0.011 0.000 3.044 376 T HA 0.230 4.580 4.350 -0.000 0.000 0.255 376 T C 0.390 175.074 174.700 -0.025 0.000 1.073 376 T CA 0.724 62.824 62.100 -0.001 0.000 1.125 376 T CB 0.399 69.287 68.868 0.033 0.000 0.908 376 T HN 0.581 nan 8.240 nan 0.000 0.480 377 G N 0.659 109.446 108.800 -0.023 0.000 3.019 377 G HA2 0.126 4.085 3.960 -0.000 0.000 0.686 377 G HA3 0.126 4.085 3.960 -0.000 0.000 0.686 377 G C 0.647 175.520 174.900 -0.045 0.000 1.056 377 G CA -0.421 44.662 45.100 -0.029 0.000 0.774 377 G HN 0.375 nan 8.290 nan 0.000 0.583 378 A N 1.171 123.946 122.820 -0.075 0.000 1.930 378 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 378 A C 1.888 179.356 177.584 -0.194 0.000 1.175 378 A CA 2.086 53.994 52.037 -0.215 0.000 0.627 378 A CB -0.239 18.457 19.000 -0.507 0.000 0.815 378 A HN 0.849 nan 8.150 nan 0.000 0.443 379 E N -0.750 119.411 120.200 -0.064 0.000 2.511 379 E HA -0.028 4.322 4.350 -0.000 0.000 0.196 379 E C 1.090 177.740 176.600 0.082 0.000 1.066 379 E CA 0.229 56.673 56.400 0.074 0.000 0.871 379 E CB 0.013 29.791 29.700 0.130 0.000 0.863 379 E HN 0.540 nan 8.360 nan 0.000 0.520 380 R N -0.216 120.251 120.500 -0.055 0.000 2.509 380 R HA 0.189 4.529 4.340 -0.000 0.000 0.297 380 R C -0.151 176.054 176.300 -0.158 0.000 0.951 380 R CA 0.019 55.919 56.100 -0.334 0.000 1.103 380 R CB 1.187 31.312 30.300 -0.292 0.000 1.283 380 R HN -0.133 nan 8.270 nan 0.000 0.534 381 S N 1.202 116.933 115.700 0.051 0.000 2.561 381 S HA 0.568 5.037 4.470 -0.000 0.000 0.303 381 S C -0.556 174.200 174.600 0.261 0.000 1.110 381 S CA -0.579 57.705 58.200 0.140 0.000 1.034 381 S CB 1.993 65.263 63.200 0.116 0.000 1.010 381 S HN 0.081 nan 8.310 nan 0.000 0.482 382 I N 2.938 123.637 120.570 0.214 0.000 2.534 382 I HA 0.335 4.505 4.170 -0.000 0.000 0.288 382 I C -0.283 175.885 176.117 0.085 0.000 1.077 382 I CA -0.628 60.736 61.300 0.106 0.000 1.051 382 I CB 1.875 39.826 38.000 -0.081 0.000 1.234 382 I HN 0.459 nan 8.210 nan 0.000 0.425 383 M N 4.874 124.513 119.600 0.065 0.000 2.238 383 M HA 0.190 4.670 4.480 -0.000 0.000 0.350 383 M C 1.034 177.283 176.300 -0.084 0.000 1.321 383 M CA 0.469 55.788 55.300 0.032 0.000 1.097 383 M CB 1.417 34.011 32.600 -0.011 0.000 1.713 383 M HN 0.925 nan 8.290 nan 0.000 0.455 384 A N 5.271 128.068 122.820 -0.038 0.000 1.902 384 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 384 A C 1.854 179.352 177.584 -0.144 0.000 1.181 384 A CA 1.971 53.962 52.037 -0.076 0.000 0.623 384 A CB -1.349 17.748 19.000 0.163 0.000 0.818 384 A HN 1.043 nan 8.150 nan 0.000 0.443 385 G N -1.025 107.722 108.800 -0.090 0.000 2.469 385 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.219 385 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.219 385 G C 1.559 176.385 174.900 -0.124 0.000 1.150 385 G CA 1.739 46.788 45.100 -0.085 0.000 0.763 385 G HN 0.452 nan 8.290 nan 0.000 0.561 386 T N 0.868 115.303 114.554 -0.197 0.000 2.857 386 T HA -0.039 4.310 4.350 -0.000 0.000 0.266 386 T C 2.223 176.746 174.700 -0.294 0.000 1.048 386 T CA 0.900 62.847 62.100 -0.255 0.000 1.139 386 T CB -0.177 68.501 68.868 -0.316 0.000 0.874 386 T HN 0.128 nan 8.240 nan 0.000 0.455 387 L N 0.833 121.806 121.223 -0.418 0.000 2.043 387 L HA -0.025 4.315 4.340 -0.000 0.000 0.212 387 L C 1.000 177.489 176.870 -0.634 0.000 1.075 387 L CA 1.864 56.307 54.840 -0.661 0.000 0.752 387 L CB -0.662 40.819 42.059 -0.963 0.000 0.891 387 L HN 0.212 nan 8.230 nan 0.000 0.432 388 F N -0.300 119.574 119.950 -0.127 0.000 2.639 388 F HA 0.519 5.046 4.527 -0.000 0.000 0.300 388 F C 0.965 176.730 175.800 -0.057 0.000 1.109 388 F CA -0.227 57.711 58.000 -0.103 0.000 1.335 388 F CB -1.168 37.768 39.000 -0.106 0.000 1.014 388 F HN 0.060 nan 8.300 nan 0.000 0.537 389 A N 0.367 123.215 122.820 0.046 0.000 2.248 389 A HA 0.783 5.103 4.320 -0.000 0.000 0.316 389 A C 0.348 178.014 177.584 0.136 0.000 1.101 389 A CA -0.724 51.368 52.037 0.091 0.000 0.875 389 A CB 0.804 19.829 19.000 0.042 0.000 1.207 389 A HN 0.264 nan 8.150 nan 0.000 0.504 390 R N -0.567 120.084 120.500 0.250 0.000 2.457 390 R HA 0.484 4.824 4.340 -0.000 0.000 0.284 390 R C 0.690 177.285 176.300 0.492 0.000 1.024 390 R CA 0.152 56.431 56.100 0.298 0.000 1.025 390 R CB 1.328 31.747 30.300 0.198 0.000 1.063 390 R HN 0.847 nan 8.270 nan 0.000 0.493 391 G N -0.259 108.771 108.800 0.384 0.000 2.525 391 G HA2 0.211 4.171 3.960 -0.000 0.000 0.287 391 G HA3 0.211 4.171 3.960 -0.000 0.000 0.287 391 G C 0.956 176.120 174.900 0.440 0.000 1.350 391 G CA -0.434 44.925 45.100 0.431 0.000 1.039 391 G HN 0.466 nan 8.290 nan 0.000 0.513 392 V N -1.545 118.474 119.914 0.175 0.000 3.141 392 V HA 0.012 4.132 4.120 -0.000 0.000 0.265 392 V C 1.419 177.551 176.094 0.064 0.000 1.126 392 V CA 1.900 64.185 62.300 -0.025 0.000 1.141 392 V CB -0.577 31.060 31.823 -0.310 0.000 0.743 392 V HN 0.618 nan 8.190 nan 0.000 0.492 393 D N -0.368 120.089 120.400 0.094 0.000 2.340 393 D HA 0.080 4.720 4.640 -0.000 0.000 0.217 393 D C 1.174 177.525 176.300 0.085 0.000 1.081 393 D CA -0.259 53.781 54.000 0.066 0.000 0.842 393 D CB 0.042 40.867 40.800 0.043 0.000 0.934 393 D HN 0.428 nan 8.370 nan 0.000 0.511 394 L N -1.202 120.105 121.223 0.139 0.000 4.696 394 L HA -0.226 4.114 4.340 -0.000 0.000 0.425 394 L C -0.428 176.494 176.870 0.088 0.000 1.115 394 L CA 0.718 55.609 54.840 0.085 0.000 0.996 394 L CB -1.010 41.060 42.059 0.018 0.000 2.077 394 L HN 0.206 nan 8.230 nan 0.000 0.792 395 Q N 0.220 120.079 119.800 0.099 0.000 2.230 395 Q HA 0.437 4.777 4.340 -0.000 0.000 0.253 395 Q C -2.147 173.910 176.000 0.096 0.000 0.919 395 Q CA -2.016 53.831 55.803 0.073 0.000 0.908 395 Q CB 0.973 29.736 28.738 0.043 0.000 1.245 395 Q HN -0.087 nan 8.270 nan 0.000 0.437 396 P HA 0.020 nan 4.420 nan 0.000 0.261 396 P C 0.455 177.787 177.300 0.054 0.000 1.183 396 P CA 0.557 63.707 63.100 0.084 0.000 0.761 396 P CB 0.406 32.153 31.700 0.079 0.000 0.785 397 M N 3.142 122.772 119.600 0.050 0.000 2.229 397 M HA -0.112 4.368 4.480 -0.000 0.000 0.264 397 M C 1.940 178.250 176.300 0.018 0.000 1.063 397 M CA 1.493 56.813 55.300 0.033 0.000 1.114 397 M CB -0.425 32.178 32.600 0.006 0.000 1.387 397 M HN 0.376 nan 8.290 nan 0.000 0.420 398 I N 0.551 121.103 120.570 -0.030 0.000 2.335 398 I HA -0.333 3.837 4.170 -0.000 0.000 0.251 398 I C 2.414 178.533 176.117 0.004 0.000 1.129 398 I CA 1.338 62.615 61.300 -0.038 0.000 1.402 398 I CB -0.054 37.865 38.000 -0.136 0.000 1.069 398 I HN 0.351 nan 8.210 nan 0.000 0.424 399 Q N 0.096 119.881 119.800 -0.025 0.000 2.061 399 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 399 Q C 2.271 178.259 176.000 -0.021 0.000 0.984 399 Q CA 2.546 58.320 55.803 -0.049 0.000 0.846 399 Q CB -0.935 27.776 28.738 -0.045 0.000 0.902 399 Q HN 0.662 nan 8.270 nan 0.000 0.421 400 T N -1.358 113.209 114.554 0.022 0.000 2.896 400 T HA -0.084 4.266 4.350 -0.000 0.000 0.263 400 T C 1.756 176.486 174.700 0.051 0.000 1.050 400 T CA 0.734 62.849 62.100 0.025 0.000 1.140 400 T CB -0.725 68.162 68.868 0.032 0.000 0.877 400 T HN 0.223 nan 8.240 nan 0.000 0.457 401 F N 2.255 122.175 119.950 -0.050 0.000 2.091 401 F HA -0.054 4.473 4.527 -0.000 0.000 0.299 401 F C 1.928 177.747 175.800 0.032 0.000 1.103 401 F CA 1.314 59.298 58.000 -0.026 0.000 1.228 401 F CB -0.393 38.585 39.000 -0.038 0.000 0.984 401 F HN 0.055 nan 8.300 nan 0.000 0.477 402 L N -0.025 121.139 121.223 -0.097 0.000 2.056 402 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 402 L C 2.717 179.548 176.870 -0.064 0.000 1.078 402 L CA 1.499 56.230 54.840 -0.181 0.000 0.749 402 L CB -0.694 41.192 42.059 -0.288 0.000 0.901 402 L HN 0.136 nan 8.230 nan 0.000 0.433 403 R N -0.262 120.195 120.500 -0.072 0.000 2.096 403 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 403 R C 2.176 178.465 176.300 -0.018 0.000 1.127 403 R CA 1.939 58.022 56.100 -0.029 0.000 0.968 403 R CB -0.179 30.100 30.300 -0.036 0.000 0.861 403 R HN 0.232 nan 8.270 nan 0.000 0.440 404 T N 0.064 114.565 114.554 -0.088 0.000 2.777 404 T HA -0.106 4.243 4.350 -0.000 0.000 0.266 404 T C 1.491 176.087 174.700 -0.173 0.000 1.040 404 T CA 1.121 63.133 62.100 -0.146 0.000 1.141 404 T CB -0.275 68.461 68.868 -0.221 0.000 0.868 404 T HN 0.364 nan 8.240 nan 0.000 0.444 405 H N -0.407 118.576 119.070 -0.145 0.000 2.363 405 H HA 0.052 4.608 4.556 -0.000 0.000 0.301 405 H C 1.952 177.223 175.328 -0.095 0.000 1.074 405 H CA 1.143 57.099 56.048 -0.153 0.000 1.354 405 H CB -0.341 29.244 29.762 -0.295 0.000 1.397 405 H HN 0.478 nan 8.280 nan 0.000 0.516 406 Y N -0.346 119.961 120.300 0.012 0.000 2.395 406 Y HA 0.008 4.558 4.550 -0.000 0.000 0.293 406 Y C 2.047 177.954 175.900 0.011 0.000 1.123 406 Y CA 0.726 58.838 58.100 0.020 0.000 1.227 406 Y CB 0.452 38.921 38.460 0.016 0.000 1.012 406 Y HN 0.396 nan 8.280 nan 0.000 0.552 407 G N 0.273 109.141 108.800 0.114 0.000 2.176 407 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.232 407 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.232 407 G C -0.045 174.887 174.900 0.054 0.000 0.986 407 G CA 0.235 45.367 45.100 0.055 0.000 0.643 407 G HN 0.482 nan 8.290 nan 0.000 0.522 408 E N -1.354 118.891 120.200 0.076 0.000 2.437 408 E HA 0.708 5.057 4.350 -0.000 0.000 0.280 408 E C -0.100 176.517 176.600 0.028 0.000 1.044 408 E CA -0.553 55.874 56.400 0.045 0.000 0.826 408 E CB 0.473 30.202 29.700 0.048 0.000 1.358 408 E HN 1.389 nan 8.360 nan 0.000 0.459 409 A N 1.724 124.547 122.820 0.005 0.000 2.505 409 A HA 0.289 4.609 4.320 -0.000 0.000 0.271 409 A C -0.255 177.312 177.584 -0.029 0.000 1.112 409 A CA -0.229 51.797 52.037 -0.019 0.000 0.781 409 A CB -0.653 18.336 19.000 -0.018 0.000 1.059 409 A HN 0.425 nan 8.150 nan 0.000 0.508 410 L N 3.753 124.932 121.223 -0.072 0.000 2.540 410 L HA 0.074 4.414 4.340 -0.000 0.000 0.276 410 L C 0.835 177.668 176.870 -0.062 0.000 1.212 410 L CA 0.556 55.333 54.840 -0.105 0.000 0.893 410 L CB -0.023 41.900 42.059 -0.227 0.000 1.138 410 L HN 0.836 nan 8.230 nan 0.000 0.491 411 D N 1.146 121.529 120.400 -0.028 0.000 2.433 411 D HA 0.060 4.699 4.640 -0.000 0.000 0.255 411 D C 0.551 176.847 176.300 -0.007 0.000 1.226 411 D CA -0.502 53.492 54.000 -0.010 0.000 1.015 411 D CB 0.436 41.242 40.800 0.011 0.000 1.091 411 D HN 0.397 nan 8.370 nan 0.000 0.527 412 D N -0.581 119.821 120.400 0.004 0.000 2.104 412 D HA -0.167 4.473 4.640 -0.000 0.000 0.194 412 D C 1.513 177.840 176.300 0.044 0.000 0.994 412 D CA 1.119 55.127 54.000 0.013 0.000 0.830 412 D CB -0.291 40.517 40.800 0.013 0.000 0.959 412 D HN 0.364 nan 8.370 nan 0.000 0.452 413 N N 0.826 119.559 118.700 0.054 0.000 2.149 413 N HA -0.130 4.610 4.740 -0.000 0.000 0.188 413 N C 1.736 177.333 175.510 0.145 0.000 1.019 413 N CA 1.289 54.390 53.050 0.085 0.000 0.857 413 N CB -0.361 38.167 38.487 0.069 0.000 0.997 413 N HN 0.158 nan 8.380 nan 0.000 0.426 414 A N 0.874 123.767 122.820 0.121 0.000 1.968 414 A HA 0.026 4.346 4.320 -0.000 0.000 0.217 414 A C 2.382 180.040 177.584 0.124 0.000 1.169 414 A CA 0.673 52.796 52.037 0.143 0.000 0.638 414 A CB -0.544 18.465 19.000 0.015 0.000 0.812 414 A HN 0.185 nan 8.150 nan 0.000 0.446 415 L N -0.673 120.589 121.223 0.065 0.000 2.056 415 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 415 L C 2.491 179.498 176.870 0.230 0.000 1.078 415 L CA 0.848 55.736 54.840 0.079 0.000 0.749 415 L CB -0.470 41.584 42.059 -0.008 0.000 0.901 415 L HN 0.358 nan 8.230 nan 0.000 0.433 416 L N -1.593 119.756 121.223 0.209 0.000 2.046 416 L HA -0.268 4.071 4.340 -0.000 0.000 0.208 416 L C 2.659 179.762 176.870 0.388 0.000 1.077 416 L CA 1.159 56.159 54.840 0.266 0.000 0.747 416 L CB -0.700 41.467 42.059 0.179 0.000 0.896 416 L HN 0.249 nan 8.230 nan 0.000 0.432 417 Y N -0.498 119.925 120.300 0.204 0.000 2.145 417 Y HA -0.304 4.246 4.550 -0.000 0.000 0.286 417 Y C 2.300 178.342 175.900 0.237 0.000 1.145 417 Y CA 1.070 59.283 58.100 0.188 0.000 1.148 417 Y CB -0.897 37.663 38.460 0.166 0.000 0.981 417 Y HN 0.204 nan 8.280 nan 0.000 0.507 418 W N -0.153 121.217 121.300 0.116 0.000 2.358 418 W HA -0.287 4.373 4.660 -0.000 0.000 0.303 418 W C 2.427 179.042 176.519 0.159 0.000 1.208 418 W CA 2.476 59.846 57.345 0.043 0.000 1.274 418 W CB -0.920 28.555 29.460 0.025 0.000 1.138 418 W HN 0.132 nan 8.180 nan 0.000 0.515 419 F N 1.176 121.426 119.950 0.499 0.000 2.126 419 F HA -0.275 4.252 4.527 -0.000 0.000 0.299 419 F C 2.223 178.137 175.800 0.191 0.000 1.096 419 F CA 2.338 60.556 58.000 0.364 0.000 1.255 419 F CB -0.620 38.509 39.000 0.216 0.000 0.997 419 F HN -0.191 nan 8.300 nan 0.000 0.479 420 D N 0.538 120.976 120.400 0.063 0.000 2.097 420 D HA -0.200 4.440 4.640 -0.000 0.000 0.195 420 D C 1.806 178.024 176.300 -0.136 0.000 0.989 420 D CA 1.662 55.633 54.000 -0.048 0.000 0.827 420 D CB -0.434 40.464 40.800 0.164 0.000 0.966 420 D HN 0.277 nan 8.370 nan 0.000 0.456 421 D N -1.160 119.170 120.400 -0.116 0.000 2.144 421 D HA -0.164 4.476 4.640 -0.000 0.000 0.199 421 D C 1.813 177.925 176.300 -0.313 0.000 0.984 421 D CA 0.613 54.484 54.000 -0.215 0.000 0.834 421 D CB -0.353 40.261 40.800 -0.310 0.000 0.955 421 D HN 0.356 nan 8.370 nan 0.000 0.465 422 Y N 1.625 121.615 120.300 -0.516 0.000 2.130 422 Y HA -0.259 4.290 4.550 -0.000 0.000 0.287 422 Y C 2.483 178.173 175.900 -0.349 0.000 1.124 422 Y CA 2.193 60.016 58.100 -0.462 0.000 1.118 422 Y CB -0.259 37.930 38.460 -0.451 0.000 0.994 422 Y HN -0.067 nan 8.280 nan 0.000 0.497 423 Q N -0.968 118.606 119.800 -0.377 0.000 2.124 423 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 423 Q C 2.162 177.980 176.000 -0.303 0.000 0.977 423 Q CA 2.337 57.900 55.803 -0.401 0.000 0.850 423 Q CB -1.431 26.913 28.738 -0.656 0.000 0.901 423 Q HN 0.342 nan 8.270 nan 0.000 0.429 424 T N -0.325 114.075 114.554 -0.257 0.000 2.788 424 T HA -0.090 4.260 4.350 -0.000 0.000 0.268 424 T C 1.688 176.279 174.700 -0.182 0.000 1.044 424 T CA 1.507 63.510 62.100 -0.163 0.000 1.139 424 T CB -0.100 68.700 68.868 -0.113 0.000 0.867 424 T HN 0.409 nan 8.240 nan 0.000 0.454 425 R N -0.318 120.021 120.500 -0.269 0.000 2.236 425 R HA 0.166 4.506 4.340 -0.000 0.000 0.208 425 R C 2.085 178.201 176.300 -0.306 0.000 1.036 425 R CA 0.518 56.456 56.100 -0.269 0.000 1.001 425 R CB -0.122 29.993 30.300 -0.308 0.000 0.896 425 R HN 0.319 nan 8.270 nan 0.000 0.464 426 L N 0.003 120.992 121.223 -0.390 0.000 2.130 426 L HA 0.051 4.391 4.340 -0.000 0.000 0.200 426 L C 1.675 178.410 176.870 -0.225 0.000 1.075 426 L CA 1.488 56.107 54.840 -0.369 0.000 0.768 426 L CB -0.105 41.635 42.059 -0.532 0.000 0.933 426 L HN 0.051 nan 8.230 nan 0.000 0.451 427 L N -0.761 120.358 121.223 -0.173 0.000 2.131 427 L HA -0.059 4.281 4.340 -0.000 0.000 0.206 427 L C 2.762 179.644 176.870 0.021 0.000 1.087 427 L CA 0.846 55.651 54.840 -0.058 0.000 0.767 427 L CB -0.400 41.671 42.059 0.020 0.000 0.917 427 L HN 0.220 nan 8.230 nan 0.000 0.441 428 R N -0.051 120.447 120.500 -0.003 0.000 2.066 428 R HA -0.124 4.216 4.340 -0.000 0.000 0.232 428 R C -0.259 176.075 176.300 0.057 0.000 1.131 428 R CA 1.387 57.510 56.100 0.039 0.000 0.955 428 R CB -1.465 28.841 30.300 0.010 0.000 0.851 428 R HN 0.311 nan 8.270 nan 0.000 0.432 429 P HA -0.117 nan 4.420 nan 0.000 0.215 429 P C 1.482 178.832 177.300 0.083 0.000 1.157 429 P CA 1.109 64.234 63.100 0.042 0.000 0.868 429 P CB 0.007 31.706 31.700 -0.003 0.000 0.788 430 V N -0.468 119.480 119.914 0.056 0.000 2.307 430 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 430 V C 2.475 178.674 176.094 0.174 0.000 1.045 430 V CA 1.666 64.016 62.300 0.084 0.000 1.024 430 V CB -1.278 30.547 31.823 0.003 0.000 0.651 430 V HN 0.054 nan 8.190 nan 0.000 0.449 431 L N -0.358 120.997 121.223 0.220 0.000 2.156 431 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 431 L C 2.586 179.706 176.870 0.416 0.000 1.095 431 L CA 1.220 56.292 54.840 0.387 0.000 0.770 431 L CB -0.578 41.765 42.059 0.474 0.000 0.914 431 L HN 0.307 nan 8.230 nan 0.000 0.439 432 S N 0.037 115.909 115.700 0.286 0.000 2.355 432 S HA -0.107 4.363 4.470 -0.000 0.000 0.222 432 S C 1.952 176.717 174.600 0.274 0.000 1.031 432 S CA 0.870 59.226 58.200 0.259 0.000 0.993 432 S CB -0.157 63.155 63.200 0.188 0.000 0.859 432 S HN 0.205 nan 8.310 nan 0.000 0.453 433 L N 0.423 121.786 121.223 0.234 0.000 2.012 433 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 433 L C 2.089 179.084 176.870 0.208 0.000 1.073 433 L CA 1.824 56.787 54.840 0.205 0.000 0.748 433 L CB -1.345 40.805 42.059 0.151 0.000 0.891 433 L HN 0.319 nan 8.230 nan 0.000 0.431 434 F N -0.204 119.772 119.950 0.044 0.000 2.051 434 F HA -0.292 4.235 4.527 -0.000 0.000 0.296 434 F C 2.389 178.106 175.800 -0.139 0.000 1.122 434 F CA 1.653 59.597 58.000 -0.093 0.000 1.201 434 F CB -0.259 38.597 39.000 -0.241 0.000 0.978 434 F HN -0.076 nan 8.300 nan 0.000 0.472 435 F N 0.583 120.605 119.950 0.119 0.000 2.234 435 F HA -0.107 4.420 4.527 -0.000 0.000 0.296 435 F C 2.224 177.952 175.800 -0.120 0.000 1.089 435 F CA 1.011 58.980 58.000 -0.052 0.000 1.343 435 F CB -0.953 38.084 39.000 0.062 0.000 1.040 435 F HN -0.003 nan 8.300 nan 0.000 0.498 436 N N -1.197 117.555 118.700 0.086 0.000 2.250 436 N HA -0.088 4.652 4.740 -0.000 0.000 0.181 436 N C 1.340 176.620 175.510 -0.383 0.000 1.017 436 N CA 1.200 54.158 53.050 -0.153 0.000 0.866 436 N CB -0.280 38.108 38.487 -0.166 0.000 0.985 436 N HN 0.386 nan 8.380 nan 0.000 0.429 437 H N -1.631 117.425 119.070 -0.023 0.000 3.170 437 H HA 0.242 4.798 4.556 -0.000 0.000 0.264 437 H C 0.637 175.953 175.328 -0.020 0.000 1.113 437 H CA 0.547 56.604 56.048 0.016 0.000 1.194 437 H CB 1.086 30.849 29.762 0.002 0.000 1.553 437 H HN 0.189 nan 8.280 nan 0.000 0.538 438 G N 1.938 110.683 108.800 -0.091 0.000 2.198 438 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.260 438 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.260 438 G C 0.078 174.952 174.900 -0.044 0.000 1.025 438 G CA 0.488 45.460 45.100 -0.213 0.000 0.769 438 G HN 0.197 nan 8.290 nan 0.000 0.507 439 V N 0.872 120.807 119.914 0.034 0.000 2.348 439 V HA 0.424 4.544 4.120 -0.000 0.000 0.270 439 V C 0.688 176.906 176.094 0.207 0.000 1.037 439 V CA -0.660 61.676 62.300 0.059 0.000 0.872 439 V CB 1.731 33.503 31.823 -0.085 0.000 1.002 439 V HN 0.288 nan 8.190 nan 0.000 0.464 440 V N 6.530 126.582 119.914 0.231 0.000 2.339 440 V HA 0.317 4.437 4.120 -0.000 0.000 0.261 440 V C 0.516 176.712 176.094 0.170 0.000 1.058 440 V CA -0.455 62.017 62.300 0.285 0.000 0.897 440 V CB 0.647 32.651 31.823 0.301 0.000 1.052 440 V HN 0.701 nan 8.190 nan 0.000 0.480 441 M N 2.986 122.685 119.600 0.165 0.000 2.163 441 M HA 0.341 4.821 4.480 -0.000 0.000 0.305 441 M C 0.461 176.800 176.300 0.065 0.000 1.166 441 M CA 0.109 55.483 55.300 0.124 0.000 1.132 441 M CB 0.136 32.799 32.600 0.105 0.000 1.413 441 M HN 0.650 nan 8.290 nan 0.000 0.478 442 E N 2.831 123.041 120.200 0.016 0.000 2.751 442 E HA 0.262 4.612 4.350 -0.000 0.000 0.219 442 E C -2.029 174.469 176.600 -0.170 0.000 1.060 442 E CA -1.582 54.800 56.400 -0.030 0.000 0.893 442 E CB 0.677 30.370 29.700 -0.011 0.000 1.300 442 E HN 0.244 nan 8.360 nan 0.000 0.433 443 P HA 0.045 nan 4.420 nan 0.000 0.235 443 P C -0.623 176.713 177.300 0.060 0.000 1.725 443 P CA -0.170 62.889 63.100 -0.067 0.000 0.894 443 P CB -0.543 31.119 31.700 -0.064 0.000 1.704 444 H N -1.678 117.436 119.070 0.072 0.000 2.548 444 H HA 0.194 4.750 4.556 -0.000 0.000 0.366 444 H C 1.522 176.833 175.328 -0.029 0.000 1.433 444 H CA -0.755 55.309 56.048 0.027 0.000 1.443 444 H CB -0.251 29.505 29.762 -0.009 0.000 1.594 444 H HN -0.199 nan 8.280 nan 0.000 0.608 445 L N -0.898 120.372 121.223 0.077 0.000 2.079 445 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 445 L C 2.338 179.243 176.870 0.058 0.000 1.081 445 L CA 1.252 56.029 54.840 -0.104 0.000 0.752 445 L CB -0.490 41.471 42.059 -0.163 0.000 0.896 445 L HN 0.633 nan 8.230 nan 0.000 0.433 446 Q N -0.310 119.639 119.800 0.249 0.000 2.172 446 Q HA -0.089 4.251 4.340 -0.000 0.000 0.200 446 Q C 1.269 177.319 176.000 0.083 0.000 0.964 446 Q CA 0.980 56.884 55.803 0.167 0.000 0.855 446 Q CB -0.377 28.501 28.738 0.234 0.000 0.918 446 Q HN 0.500 nan 8.270 nan 0.000 0.444 447 N N 0.266 118.952 118.700 -0.023 0.000 2.314 447 N HA 0.065 4.805 4.740 -0.000 0.000 0.200 447 N C -0.633 174.812 175.510 -0.109 0.000 1.135 447 N CA 0.090 53.045 53.050 -0.159 0.000 0.835 447 N CB 0.698 38.955 38.487 -0.383 0.000 0.989 447 N HN -0.063 nan 8.380 nan 0.000 0.478 448 S N -0.275 115.411 115.700 -0.023 0.000 2.521 448 S HA 0.592 5.062 4.470 -0.000 0.000 0.295 448 S C -0.447 174.158 174.600 0.009 0.000 1.098 448 S CA -0.682 57.529 58.200 0.019 0.000 0.999 448 S CB 2.740 66.079 63.200 0.232 0.000 1.034 448 S HN -0.201 nan 8.310 nan 0.000 0.483 449 V N 3.392 123.264 119.914 -0.070 0.000 2.482 449 V HA 0.385 4.504 4.120 -0.000 0.000 0.295 449 V C -0.674 175.395 176.094 -0.042 0.000 1.026 449 V CA -0.731 61.526 62.300 -0.071 0.000 0.856 449 V CB 1.540 33.199 31.823 -0.275 0.000 1.001 449 V HN 0.783 nan 8.190 nan 0.000 0.424 450 L N 6.910 128.179 121.223 0.077 0.000 2.361 450 L HA 0.463 4.802 4.340 -0.000 0.000 0.278 450 L C -0.189 176.742 176.870 0.100 0.000 1.113 450 L CA 0.605 55.524 54.840 0.132 0.000 0.849 450 L CB 1.105 43.325 42.059 0.268 0.000 1.155 450 L HN 0.473 nan 8.230 nan 0.000 0.452 451 V N 5.887 125.819 119.914 0.030 0.000 2.407 451 V HA 0.434 4.554 4.120 -0.000 0.000 0.278 451 V C -0.313 175.816 176.094 0.058 0.000 1.037 451 V CA -0.502 61.798 62.300 0.002 0.000 0.900 451 V CB 0.872 32.655 31.823 -0.066 0.000 0.983 451 V HN 1.010 nan 8.190 nan 0.000 0.459 452 H N 2.180 121.274 119.070 0.041 0.000 2.865 452 H HA 0.790 5.346 4.556 -0.000 0.000 0.372 452 H C -0.778 174.547 175.328 -0.004 0.000 1.173 452 H CA -1.089 54.983 56.048 0.039 0.000 1.147 452 H CB 1.697 31.547 29.762 0.147 0.000 1.805 452 H HN 0.482 nan 8.280 nan 0.000 0.553 453 Q N 1.291 121.122 119.800 0.051 0.000 2.341 453 Q HA 0.250 4.590 4.340 -0.000 0.000 0.268 453 Q C -0.801 175.203 176.000 0.006 0.000 1.013 453 Q CA -0.757 55.037 55.803 -0.015 0.000 0.798 453 Q CB 1.231 29.944 28.738 -0.040 0.000 1.253 453 Q HN 0.755 nan 8.270 nan 0.000 0.457 454 Q N 2.777 122.566 119.800 -0.018 0.000 2.411 454 Q HA -0.295 4.044 4.340 -0.000 0.000 0.305 454 Q C 0.692 176.390 176.000 -0.503 0.000 1.273 454 Q CA 1.666 57.360 55.803 -0.182 0.000 0.895 454 Q CB -1.566 27.124 28.738 -0.080 0.000 1.198 454 Q HN 1.159 nan 8.270 nan 0.000 0.470 455 G N -1.712 106.777 108.800 -0.518 0.000 2.268 455 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.240 455 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.240 455 G C 0.018 175.073 174.900 0.259 0.000 1.010 455 G CA 0.045 44.926 45.100 -0.364 0.000 0.618 455 G HN 0.334 nan 8.290 nan 0.000 0.516 456 R N 1.922 122.491 120.500 0.114 0.000 2.347 456 R HA 0.505 4.845 4.340 -0.000 0.000 0.304 456 R C -2.390 173.908 176.300 -0.004 0.000 1.072 456 R CA -1.599 54.530 56.100 0.049 0.000 0.980 456 R CB 0.438 30.698 30.300 -0.067 0.000 0.986 456 R HN 0.185 nan 8.270 nan 0.000 0.448 457 P HA -0.002 nan 4.420 nan 0.000 0.267 457 P C -0.331 176.891 177.300 -0.130 0.000 1.205 457 P CA 0.047 63.047 63.100 -0.167 0.000 0.765 457 P CB 0.976 32.432 31.700 -0.407 0.000 0.828 458 Q N 1.552 121.308 119.800 -0.073 0.000 2.581 458 Q HA 0.126 4.466 4.340 -0.000 0.000 0.222 458 Q C 0.263 176.203 176.000 -0.101 0.000 0.904 458 Q CA 0.966 56.720 55.803 -0.081 0.000 0.923 458 Q CB 0.492 29.195 28.738 -0.058 0.000 1.117 458 Q HN 0.616 nan 8.270 nan 0.000 0.618 459 Q N 0.159 119.898 119.800 -0.101 0.000 2.421 459 Q HA 0.569 4.909 4.340 -0.000 0.000 0.280 459 Q C -1.200 174.708 176.000 -0.153 0.000 1.085 459 Q CA -0.588 55.137 55.803 -0.129 0.000 0.807 459 Q CB 3.200 31.868 28.738 -0.116 0.000 1.405 459 Q HN -0.142 nan 8.270 nan 0.000 0.419 460 V N 2.446 122.239 119.914 -0.202 0.000 2.275 460 V HA 0.247 4.367 4.120 -0.000 0.000 0.272 460 V C -0.383 175.601 176.094 -0.183 0.000 1.028 460 V CA -0.529 61.648 62.300 -0.205 0.000 0.810 460 V CB 0.827 32.446 31.823 -0.340 0.000 1.043 460 V HN 0.637 nan 8.190 nan 0.000 0.453 461 L N 5.979 127.075 121.223 -0.212 0.000 2.416 461 L HA 0.437 4.777 4.340 -0.000 0.000 0.272 461 L C -0.574 176.143 176.870 -0.255 0.000 1.161 461 L CA 0.193 54.865 54.840 -0.279 0.000 0.845 461 L CB 0.569 42.343 42.059 -0.474 0.000 1.119 461 L HN 0.469 nan 8.230 nan 0.000 0.464 462 L N 6.025 127.117 121.223 -0.219 0.000 2.322 462 L HA 0.602 4.942 4.340 -0.000 0.000 0.279 462 L C 0.085 176.811 176.870 -0.240 0.000 1.036 462 L CA -0.622 54.106 54.840 -0.187 0.000 0.807 462 L CB 1.488 43.473 42.059 -0.123 0.000 1.226 462 L HN 0.686 nan 8.230 nan 0.000 0.433 463 R N 1.332 121.694 120.500 -0.231 0.000 2.854 463 R HA 0.334 4.674 4.340 -0.000 0.000 0.271 463 R C -1.286 174.861 176.300 -0.255 0.000 0.996 463 R CA -0.836 55.098 56.100 -0.276 0.000 0.961 463 R CB 1.761 31.926 30.300 -0.226 0.000 1.182 463 R HN 0.704 nan 8.270 nan 0.000 0.479 464 D N 1.750 121.941 120.400 -0.349 0.000 4.370 464 D HA -0.126 4.514 4.640 -0.000 0.000 0.238 464 D C -0.087 176.191 176.300 -0.037 0.000 1.104 464 D CA 0.115 53.981 54.000 -0.223 0.000 1.101 464 D CB -0.061 40.665 40.800 -0.123 0.000 0.749 464 D HN 0.348 nan 8.370 nan 0.000 0.351 465 F N 1.468 121.372 119.950 -0.077 0.000 2.661 465 F HA 0.010 4.537 4.527 -0.000 0.000 0.298 465 F C 2.422 178.222 175.800 -0.000 0.000 1.137 465 F CA 1.007 58.990 58.000 -0.028 0.000 1.454 465 F CB -0.424 38.576 39.000 -0.000 0.000 1.103 465 F HN 0.488 nan 8.300 nan 0.000 0.577 466 E N 0.473 120.760 120.200 0.145 0.000 2.130 466 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 466 E C 2.265 178.907 176.600 0.070 0.000 0.998 466 E CA 1.496 57.948 56.400 0.086 0.000 0.806 466 E CB -0.468 29.259 29.700 0.045 0.000 0.738 466 E HN 0.353 nan 8.360 nan 0.000 0.459 467 G N 0.394 109.236 108.800 0.070 0.000 3.126 467 G HA2 0.143 4.103 3.960 -0.000 0.000 0.224 467 G HA3 0.143 4.103 3.960 -0.000 0.000 0.224 467 G C 0.194 175.103 174.900 0.015 0.000 1.142 467 G CA -0.243 44.884 45.100 0.044 0.000 0.759 467 G HN 0.085 nan 8.290 nan 0.000 0.550 468 V N 1.846 121.800 119.914 0.067 0.000 2.585 468 V HA 0.250 4.370 4.120 -0.000 0.000 0.296 468 V C -0.031 176.041 176.094 -0.037 0.000 1.035 468 V CA 0.105 62.449 62.300 0.072 0.000 1.084 468 V CB 1.099 33.037 31.823 0.192 0.000 0.953 468 V HN 0.116 nan 8.190 nan 0.000 0.483 469 K N 4.775 125.122 120.400 -0.088 0.000 2.352 469 K HA 0.730 5.050 4.320 -0.000 0.000 0.240 469 K C -1.102 175.476 176.600 -0.038 0.000 1.017 469 K CA -0.788 55.392 56.287 -0.179 0.000 0.851 469 K CB 2.519 34.681 32.500 -0.564 0.000 1.261 469 K HN 0.410 nan 8.250 nan 0.000 0.451 470 L N 1.001 122.215 121.223 -0.016 0.000 2.385 470 L HA 0.348 4.688 4.340 -0.000 0.000 0.273 470 L C 0.312 177.219 176.870 0.061 0.000 0.990 470 L CA -0.937 53.921 54.840 0.029 0.000 0.821 470 L CB 2.087 44.159 42.059 0.023 0.000 1.279 470 L HN 0.732 nan 8.230 nan 0.000 0.412 471 T N -3.144 111.439 114.554 0.048 0.000 2.918 471 T HA 0.060 4.410 4.350 -0.000 0.000 0.302 471 T C 0.820 175.529 174.700 0.015 0.000 1.045 471 T CA -0.574 61.558 62.100 0.053 0.000 1.114 471 T CB 0.976 69.820 68.868 -0.040 0.000 0.965 471 T HN 0.715 nan 8.240 nan 0.000 0.540 472 D N 0.906 121.328 120.400 0.036 0.000 2.312 472 D HA -0.137 4.503 4.640 -0.000 0.000 0.211 472 D C 1.091 177.378 176.300 -0.020 0.000 0.964 472 D CA 0.782 54.790 54.000 0.014 0.000 0.877 472 D CB -0.170 40.649 40.800 0.032 0.000 0.924 472 D HN 0.793 nan 8.370 nan 0.000 0.515 473 D N -0.794 119.583 120.400 -0.037 0.000 2.379 473 D HA 0.025 4.665 4.640 -0.000 0.000 0.208 473 D C 1.510 177.752 176.300 -0.097 0.000 1.065 473 D CA -0.176 53.788 54.000 -0.060 0.000 0.848 473 D CB 0.245 41.014 40.800 -0.051 0.000 0.949 473 D HN 0.288 nan 8.370 nan 0.000 0.509 474 L N -0.327 120.825 121.223 -0.119 0.000 2.230 474 L HA 0.356 4.696 4.340 -0.000 0.000 0.164 474 L C 2.129 178.884 176.870 -0.193 0.000 1.237 474 L CA 1.156 55.896 54.840 -0.166 0.000 1.030 474 L CB -0.383 41.569 42.059 -0.179 0.000 2.103 474 L HN -0.008 nan 8.230 nan 0.000 0.490 475 G N 0.505 109.235 108.800 -0.115 0.000 2.462 475 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 475 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 475 G C 1.578 176.451 174.900 -0.045 0.000 1.121 475 G CA 1.167 46.253 45.100 -0.023 0.000 0.758 475 G HN 0.420 nan 8.290 nan 0.000 0.559 476 I N 1.375 121.902 120.570 -0.071 0.000 2.236 476 I HA -0.275 3.895 4.170 -0.000 0.000 0.249 476 I C 2.974 179.029 176.117 -0.104 0.000 1.102 476 I CA 1.849 63.113 61.300 -0.059 0.000 1.365 476 I CB -0.024 37.945 38.000 -0.051 0.000 1.051 476 I HN 0.314 nan 8.210 nan 0.000 0.420 477 R N 0.007 120.372 120.500 -0.225 0.000 2.241 477 R HA -0.203 4.137 4.340 -0.000 0.000 0.224 477 R C 1.528 177.663 176.300 -0.276 0.000 1.101 477 R CA 1.516 57.451 56.100 -0.275 0.000 0.995 477 R CB -0.949 29.136 30.300 -0.359 0.000 0.870 477 R HN 0.468 nan 8.270 nan 0.000 0.463 478 Y N 1.101 121.366 120.300 -0.058 0.000 2.546 478 Y HA 0.217 4.767 4.550 -0.000 0.000 0.287 478 Y C 0.810 176.680 175.900 -0.049 0.000 1.158 478 Y CA -0.472 57.589 58.100 -0.065 0.000 1.307 478 Y CB 0.264 38.661 38.460 -0.106 0.000 1.036 478 Y HN -0.063 nan 8.280 nan 0.000 0.532 479 I N 1.081 121.693 120.570 0.069 0.000 2.371 479 I HA 0.043 4.213 4.170 -0.000 0.000 0.290 479 I C -0.372 175.764 176.117 0.031 0.000 1.028 479 I CA -0.529 60.798 61.300 0.045 0.000 1.345 479 I CB 0.498 38.514 38.000 0.026 0.000 1.407 479 I HN -0.017 nan 8.210 nan 0.000 0.501 480 D N 4.893 125.317 120.400 0.040 0.000 2.362 480 D HA 0.031 4.671 4.640 -0.000 0.000 0.242 480 D C 0.608 176.924 176.300 0.026 0.000 1.132 480 D CA -0.127 53.892 54.000 0.033 0.000 0.907 480 D CB 0.811 41.635 40.800 0.041 0.000 1.195 480 D HN 0.423 nan 8.370 nan 0.000 0.429 481 D N 0.050 120.460 120.400 0.018 0.000 2.351 481 D HA -0.127 4.513 4.640 -0.000 0.000 0.216 481 D C 1.067 177.379 176.300 0.020 0.000 0.968 481 D CA 0.761 54.769 54.000 0.013 0.000 0.899 481 D CB 0.082 40.885 40.800 0.006 0.000 0.907 481 D HN 0.382 nan 8.370 nan 0.000 0.514 482 D N -0.697 119.722 120.400 0.032 0.000 2.349 482 D HA -0.024 4.616 4.640 -0.000 0.000 0.215 482 D C 0.208 176.546 176.300 0.064 0.000 1.016 482 D CA -0.028 53.997 54.000 0.042 0.000 0.870 482 D CB 0.296 41.122 40.800 0.044 0.000 0.917 482 D HN -0.056 nan 8.370 nan 0.000 0.524 483 I N 1.389 122.001 120.570 0.070 0.000 2.575 483 I HA 0.027 4.197 4.170 -0.000 0.000 0.285 483 I C 0.858 177.055 176.117 0.134 0.000 1.085 483 I CA -0.350 61.015 61.300 0.109 0.000 1.403 483 I CB 0.372 38.427 38.000 0.092 0.000 1.409 483 I HN 0.193 nan 8.210 nan 0.000 0.557 484 H N 8.467 127.604 119.070 0.112 0.000 3.034 484 H HA 0.019 4.575 4.556 -0.000 0.000 0.324 484 H C -1.493 173.895 175.328 0.100 0.000 1.015 484 H CA -0.792 55.342 56.048 0.144 0.000 1.429 484 H CB 1.249 31.175 29.762 0.272 0.000 1.429 484 H HN 0.311 nan 8.280 nan 0.000 0.585 485 P HA -0.188 nan 4.420 nan 0.000 0.216 485 P C 1.520 178.869 177.300 0.082 0.000 1.150 485 P CA 1.238 64.333 63.100 -0.008 0.000 0.843 485 P CB 0.317 31.959 31.700 -0.096 0.000 0.787 486 R N 0.286 120.954 120.500 0.281 0.000 2.090 486 R HA -0.033 4.307 4.340 -0.000 0.000 0.228 486 R C 2.098 178.267 176.300 -0.219 0.000 1.110 486 R CA 1.127 57.226 56.100 -0.002 0.000 0.973 486 R CB -1.473 28.856 30.300 0.048 0.000 0.869 486 R HN -0.002 nan 8.270 nan 0.000 0.440 487 V N 0.608 120.495 119.914 -0.044 0.000 2.358 487 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 487 V C 2.511 178.589 176.094 -0.026 0.000 1.047 487 V CA 2.058 64.322 62.300 -0.059 0.000 1.035 487 V CB -0.595 31.256 31.823 0.047 0.000 0.658 487 V HN 0.338 nan 8.190 nan 0.000 0.452 488 R N -0.117 120.392 120.500 0.015 0.000 2.073 488 R HA -0.214 4.126 4.340 -0.000 0.000 0.234 488 R C 2.486 178.775 176.300 -0.018 0.000 1.134 488 R CA 1.958 58.062 56.100 0.007 0.000 0.952 488 R CB -0.303 30.008 30.300 0.018 0.000 0.850 488 R HN 0.629 nan 8.270 nan 0.000 0.433 489 Q N -0.133 119.640 119.800 -0.044 0.000 2.096 489 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 489 Q C 1.961 177.916 176.000 -0.074 0.000 0.982 489 Q CA 2.040 57.809 55.803 -0.057 0.000 0.850 489 Q CB -0.172 28.512 28.738 -0.090 0.000 0.901 489 Q HN 0.276 nan 8.270 nan 0.000 0.422 490 S N -0.271 115.343 115.700 -0.142 0.000 2.400 490 S HA -0.098 4.372 4.470 -0.000 0.000 0.232 490 S C 1.843 176.418 174.600 -0.042 0.000 1.025 490 S CA 0.951 59.084 58.200 -0.112 0.000 0.993 490 S CB -0.097 63.041 63.200 -0.103 0.000 0.808 490 S HN 0.473 nan 8.310 nan 0.000 0.478 491 L N 0.337 121.539 121.223 -0.035 0.000 2.249 491 L HA 0.303 4.643 4.340 -0.000 0.000 0.207 491 L C 0.535 177.379 176.870 -0.042 0.000 1.090 491 L CA 0.160 54.976 54.840 -0.040 0.000 0.802 491 L CB -0.117 41.932 42.059 -0.016 0.000 0.947 491 L HN 0.223 nan 8.230 nan 0.000 0.453 492 L N 0.304 121.535 121.223 0.014 0.000 2.367 492 L HA 0.107 4.447 4.340 -0.000 0.000 0.275 492 L C -0.690 176.314 176.870 0.222 0.000 1.129 492 L CA 0.033 54.919 54.840 0.076 0.000 0.839 492 L CB 0.374 42.472 42.059 0.065 0.000 1.133 492 L HN -0.028 nan 8.230 nan 0.000 0.453 493 Y N 0.775 121.109 120.300 0.058 0.000 2.562 493 Y HA 0.304 4.854 4.550 -0.000 0.000 0.343 493 Y C 0.493 176.436 175.900 0.071 0.000 1.025 493 Y CA -1.924 56.221 58.100 0.077 0.000 1.082 493 Y CB 2.183 40.713 38.460 0.117 0.000 1.264 493 Y HN 0.597 nan 8.280 nan 0.000 0.478 494 S N 1.799 117.600 115.700 0.168 0.000 2.585 494 S HA 0.226 4.696 4.470 -0.000 0.000 0.273 494 S C 1.346 176.047 174.600 0.169 0.000 1.339 494 S CA -0.511 57.755 58.200 0.110 0.000 1.028 494 S CB 1.032 64.259 63.200 0.044 0.000 0.906 494 S HN 0.821 nan 8.310 nan 0.000 0.528 495 R N 0.882 121.471 120.500 0.148 0.000 2.103 495 R HA -0.201 4.139 4.340 -0.000 0.000 0.242 495 R C 2.278 178.770 176.300 0.319 0.000 1.142 495 R CA 2.123 58.358 56.100 0.224 0.000 0.960 495 R CB -0.513 29.853 30.300 0.111 0.000 0.858 495 R HN 0.962 nan 8.270 nan 0.000 0.439 496 E N 0.129 120.439 120.200 0.183 0.000 2.051 496 E HA -0.255 4.095 4.350 -0.000 0.000 0.192 496 E C 2.031 178.688 176.600 0.096 0.000 0.991 496 E CA 1.467 57.960 56.400 0.156 0.000 0.799 496 E CB 0.025 29.767 29.700 0.070 0.000 0.748 496 E HN 0.469 nan 8.360 nan 0.000 0.449 497 Q N -0.431 119.365 119.800 -0.007 0.000 2.096 497 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 497 Q C 2.224 178.189 176.000 -0.059 0.000 0.982 497 Q CA 1.361 57.046 55.803 -0.196 0.000 0.850 497 Q CB -0.298 28.118 28.738 -0.537 0.000 0.901 497 Q HN 0.435 nan 8.270 nan 0.000 0.422 498 G N 0.404 109.341 108.800 0.229 0.000 2.421 498 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.216 498 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.216 498 G C 1.024 175.965 174.900 0.069 0.000 1.171 498 G CA 0.481 45.832 45.100 0.418 0.000 0.775 498 G HN 0.511 nan 8.290 nan 0.000 0.543 499 W N 1.323 122.535 121.300 -0.146 0.000 2.409 499 W HA -0.085 4.575 4.660 -0.000 0.000 0.299 499 W C 2.097 178.542 176.519 -0.124 0.000 1.203 499 W CA 0.899 58.052 57.345 -0.321 0.000 1.298 499 W CB -0.050 29.361 29.460 -0.082 0.000 1.127 499 W HN 0.148 nan 8.180 nan 0.000 0.528 500 N N 0.807 119.421 118.700 -0.143 0.000 2.069 500 N HA -0.223 4.517 4.740 -0.000 0.000 0.191 500 N C 1.858 177.287 175.510 -0.136 0.000 1.031 500 N CA 1.752 54.635 53.050 -0.280 0.000 0.852 500 N CB -0.840 37.382 38.487 -0.442 0.000 1.018 500 N HN 0.230 nan 8.380 nan 0.000 0.423 501 R N 0.592 121.099 120.500 0.010 0.000 2.081 501 R HA 0.054 4.394 4.340 -0.000 0.000 0.235 501 R C 2.241 178.570 176.300 0.047 0.000 1.131 501 R CA 0.845 57.053 56.100 0.181 0.000 0.960 501 R CB -0.221 30.244 30.300 0.275 0.000 0.856 501 R HN 0.194 nan 8.270 nan 0.000 0.436 502 I N 0.469 120.944 120.570 -0.158 0.000 2.208 502 I HA -0.348 3.822 4.170 -0.000 0.000 0.245 502 I C 2.483 178.393 176.117 -0.346 0.000 1.097 502 I CA 1.364 62.492 61.300 -0.286 0.000 1.363 502 I CB -0.216 37.514 38.000 -0.451 0.000 1.051 502 I HN 0.326 nan 8.210 nan 0.000 0.413 503 M N -0.474 118.824 119.600 -0.504 0.000 2.082 503 M HA -0.297 4.183 4.480 -0.000 0.000 0.258 503 M C 2.568 178.875 176.300 0.012 0.000 1.071 503 M CA 2.242 57.379 55.300 -0.273 0.000 1.103 503 M CB -0.753 31.600 32.600 -0.413 0.000 1.307 503 M HN 0.244 nan 8.290 nan 0.000 0.409 504 Y N 0.343 120.600 120.300 -0.073 0.000 2.097 504 Y HA -0.294 4.256 4.550 -0.000 0.000 0.282 504 Y C 2.479 178.374 175.900 -0.008 0.000 1.152 504 Y CA 1.639 59.728 58.100 -0.017 0.000 1.136 504 Y CB -0.896 37.604 38.460 0.068 0.000 0.975 504 Y HN 0.266 nan 8.280 nan 0.000 0.498 505 C N 0.328 119.459 119.300 -0.281 0.000 2.432 505 C HA -0.162 4.298 4.460 -0.000 0.000 0.277 505 C C 2.930 177.749 174.990 -0.284 0.000 1.249 505 C CA 1.290 60.107 59.018 -0.335 0.000 1.725 505 C CB -1.457 26.251 27.740 -0.054 0.000 2.028 505 C HN 0.641 nan 8.230 nan 0.000 0.477 506 L N -0.961 120.049 121.223 -0.356 0.000 2.027 506 L HA -0.095 4.245 4.340 -0.000 0.000 0.206 506 L C 2.177 178.736 176.870 -0.518 0.000 1.074 506 L CA 1.871 56.362 54.840 -0.582 0.000 0.745 506 L CB -0.427 40.995 42.059 -1.061 0.000 0.898 506 L HN 0.340 nan 8.230 nan 0.000 0.433 507 F N -1.546 118.413 119.950 0.015 0.000 2.453 507 F HA 0.101 4.628 4.527 -0.000 0.000 0.284 507 F C 2.146 177.991 175.800 0.074 0.000 1.065 507 F CA 0.238 58.355 58.000 0.195 0.000 1.411 507 F CB 0.095 39.219 39.000 0.207 0.000 1.131 507 F HN -0.165 nan 8.300 nan 0.000 0.582 508 I N -0.291 120.219 120.570 -0.099 0.000 2.512 508 I HA -0.153 4.017 4.170 -0.000 0.000 0.247 508 I C 2.336 178.359 176.117 -0.157 0.000 1.094 508 I CA 0.659 61.824 61.300 -0.226 0.000 1.427 508 I CB -0.428 37.404 38.000 -0.280 0.000 1.149 508 I HN 0.148 nan 8.210 nan 0.000 0.438 509 N N 0.731 119.159 118.700 -0.454 0.000 2.106 509 N HA -0.235 4.505 4.740 -0.000 0.000 0.188 509 N C 1.820 177.251 175.510 -0.132 0.000 1.029 509 N CA 1.929 54.749 53.050 -0.383 0.000 0.848 509 N CB 0.011 38.092 38.487 -0.677 0.000 1.007 509 N HN 0.458 nan 8.380 nan 0.000 0.423 510 H N -0.586 118.393 119.070 -0.151 0.000 2.315 510 H HA 0.284 4.840 4.556 -0.000 0.000 0.318 510 H C 2.176 177.481 175.328 -0.039 0.000 1.068 510 H CA 0.489 56.503 56.048 -0.055 0.000 1.465 510 H CB 0.044 29.777 29.762 -0.048 0.000 1.475 510 H HN -0.004 nan 8.280 nan 0.000 0.597 511 L N -0.052 121.318 121.223 0.246 0.000 2.217 511 L HA -0.079 4.261 4.340 -0.000 0.000 0.211 511 L C 2.453 179.371 176.870 0.079 0.000 1.107 511 L CA 0.539 55.484 54.840 0.175 0.000 0.783 511 L CB -0.161 42.032 42.059 0.223 0.000 0.919 511 L HN 0.288 nan 8.230 nan 0.000 0.442 512 S N -0.287 115.591 115.700 0.297 0.000 2.370 512 S HA -0.168 4.302 4.470 -0.000 0.000 0.226 512 S C 1.872 176.513 174.600 0.068 0.000 1.033 512 S CA 1.238 59.647 58.200 0.348 0.000 1.011 512 S CB -0.093 63.356 63.200 0.415 0.000 0.852 512 S HN 0.414 nan 8.310 nan 0.000 0.457 513 E N 0.796 120.992 120.200 -0.007 0.000 2.072 513 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 513 E C 2.311 178.759 176.600 -0.253 0.000 0.985 513 E CA 1.115 57.464 56.400 -0.086 0.000 0.801 513 E CB -0.935 28.730 29.700 -0.058 0.000 0.750 513 E HN 0.460 nan 8.360 nan 0.000 0.452 514 T N 2.062 116.304 114.554 -0.520 0.000 2.635 514 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 514 T C 2.162 176.587 174.700 -0.458 0.000 1.040 514 T CA 1.274 62.785 62.100 -0.982 0.000 1.156 514 T CB -0.287 68.075 68.868 -0.844 0.000 0.863 514 T HN 0.109 nan 8.240 nan 0.000 0.430 515 I N 0.294 120.640 120.570 -0.374 0.000 2.252 515 I HA -0.101 4.069 4.170 -0.000 0.000 0.245 515 I C 2.311 178.288 176.117 -0.233 0.000 1.102 515 I CA 0.686 61.717 61.300 -0.449 0.000 1.385 515 I CB -0.311 37.272 38.000 -0.694 0.000 1.064 515 I HN 0.140 nan 8.210 nan 0.000 0.414 516 L N 1.126 122.263 121.223 -0.143 0.000 2.046 516 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 516 L C 2.533 179.441 176.870 0.063 0.000 1.077 516 L CA 2.142 56.942 54.840 -0.066 0.000 0.747 516 L CB -0.730 41.234 42.059 -0.157 0.000 0.896 516 L HN 0.193 nan 8.230 nan 0.000 0.432 517 A N -0.987 121.839 122.820 0.010 0.000 1.930 517 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 517 A C 2.232 179.834 177.584 0.031 0.000 1.175 517 A CA 1.692 53.780 52.037 0.085 0.000 0.627 517 A CB -0.723 18.365 19.000 0.147 0.000 0.815 517 A HN 0.480 nan 8.150 nan 0.000 0.443 518 L N 0.118 121.313 121.223 -0.045 0.000 2.240 518 L HA -0.060 4.279 4.340 -0.000 0.000 0.211 518 L C 2.105 178.926 176.870 -0.081 0.000 1.106 518 L CA 1.331 56.116 54.840 -0.092 0.000 0.793 518 L CB -0.085 41.906 42.059 -0.114 0.000 0.927 518 L HN 0.542 nan 8.230 nan 0.000 0.446 519 S N -1.948 113.720 115.700 -0.053 0.000 2.575 519 S HA 0.002 4.472 4.470 -0.000 0.000 0.237 519 S C 1.454 176.040 174.600 -0.025 0.000 0.975 519 S CA -0.464 57.708 58.200 -0.047 0.000 0.960 519 S CB 0.311 63.472 63.200 -0.065 0.000 0.822 519 S HN 0.323 nan 8.310 nan 0.000 0.472 520 Q N 2.030 121.794 119.800 -0.060 0.000 2.062 520 Q HA -0.152 4.187 4.340 -0.000 0.000 0.209 520 Q C 1.681 177.489 176.000 -0.320 0.000 0.996 520 Q CA 2.234 57.832 55.803 -0.343 0.000 0.859 520 Q CB -0.862 27.647 28.738 -0.381 0.000 0.920 520 Q HN 0.703 nan 8.270 nan 0.000 0.415 521 G N -0.336 108.354 108.800 -0.183 0.000 3.189 521 G HA2 0.101 4.061 3.960 -0.000 0.000 0.225 521 G HA3 0.101 4.061 3.960 -0.000 0.000 0.225 521 G C 0.175 175.031 174.900 -0.074 0.000 1.159 521 G CA -0.391 44.635 45.100 -0.123 0.000 0.763 521 G HN 0.178 nan 8.290 nan 0.000 0.549 522 R N 0.567 121.028 120.500 -0.064 0.000 2.738 522 R HA 0.202 4.541 4.340 -0.000 0.000 0.280 522 R C -1.851 174.432 176.300 -0.029 0.000 1.456 522 R CA -1.351 54.725 56.100 -0.041 0.000 1.612 522 R CB 1.586 31.860 30.300 -0.043 0.000 1.286 522 R HN 0.043 nan 8.270 nan 0.000 0.660 523 P HA -0.256 nan 4.420 nan 0.000 0.222 523 P C 1.084 178.377 177.300 -0.011 0.000 1.147 523 P CA 1.130 64.227 63.100 -0.005 0.000 0.790 523 P CB 0.360 32.059 31.700 -0.001 0.000 0.780 524 Q N 0.492 120.285 119.800 -0.011 0.000 2.234 524 Q HA -0.142 4.198 4.340 -0.000 0.000 0.206 524 Q C 2.020 178.016 176.000 -0.007 0.000 0.980 524 Q CA 1.359 57.159 55.803 -0.005 0.000 0.869 524 Q CB -1.390 27.347 28.738 -0.002 0.000 0.912 524 Q HN 0.321 nan 8.270 nan 0.000 0.436 525 L N 0.517 121.727 121.223 -0.023 0.000 2.291 525 L HA -0.029 4.311 4.340 -0.000 0.000 0.214 525 L C 2.691 179.518 176.870 -0.071 0.000 1.120 525 L CA 0.601 55.416 54.840 -0.041 0.000 0.799 525 L CB -0.705 41.317 42.059 -0.061 0.000 0.925 525 L HN 0.246 nan 8.230 nan 0.000 0.446 526 A N 1.446 124.233 122.820 -0.055 0.000 1.851 526 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 526 A C 0.063 177.688 177.584 0.069 0.000 1.195 526 A CA 1.781 53.787 52.037 -0.052 0.000 0.622 526 A CB -1.860 17.161 19.000 0.034 0.000 0.831 526 A HN 0.289 nan 8.150 nan 0.000 0.444 527 P HA -0.127 nan 4.420 nan 0.000 0.218 527 P C 1.547 178.947 177.300 0.167 0.000 1.149 527 P CA 0.934 64.144 63.100 0.183 0.000 0.817 527 P CB -0.222 31.537 31.700 0.099 0.000 0.785 528 L N -1.554 119.720 121.223 0.085 0.000 2.017 528 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 528 L C 2.919 179.840 176.870 0.085 0.000 1.073 528 L CA 1.569 56.457 54.840 0.079 0.000 0.745 528 L CB -0.873 41.214 42.059 0.046 0.000 0.894 528 L HN -0.080 nan 8.230 nan 0.000 0.432 529 M N -1.638 117.933 119.600 -0.048 0.000 2.086 529 M HA -0.221 4.259 4.480 -0.000 0.000 0.261 529 M C 2.190 178.494 176.300 0.007 0.000 1.067 529 M CA 2.125 57.293 55.300 -0.220 0.000 1.116 529 M CB -0.473 31.561 32.600 -0.944 0.000 1.348 529 M HN 0.245 nan 8.290 nan 0.000 0.407 530 W N 0.166 121.540 121.300 0.123 0.000 2.363 530 W HA -0.138 4.521 4.660 -0.000 0.000 0.296 530 W C 2.651 179.381 176.519 0.351 0.000 1.212 530 W CA 0.819 58.363 57.345 0.331 0.000 1.260 530 W CB -0.231 29.397 29.460 0.280 0.000 1.131 530 W HN 0.202 nan 8.180 nan 0.000 0.530 531 R N 0.759 121.522 120.500 0.438 0.000 2.096 531 R HA -0.192 4.148 4.340 -0.000 0.000 0.235 531 R C 2.282 178.672 176.300 0.151 0.000 1.127 531 R CA 1.639 57.883 56.100 0.241 0.000 0.968 531 R CB -0.239 30.164 30.300 0.173 0.000 0.861 531 R HN -0.080 nan 8.270 nan 0.000 0.440 532 R N 0.219 120.846 120.500 0.212 0.000 2.075 532 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 532 R C 1.952 178.362 176.300 0.184 0.000 1.126 532 R CA 1.716 57.929 56.100 0.189 0.000 0.963 532 R CB -0.760 29.694 30.300 0.257 0.000 0.858 532 R HN 0.125 nan 8.270 nan 0.000 0.435 533 V N 1.113 121.218 119.914 0.319 0.000 2.250 533 V HA -0.343 3.777 4.120 -0.000 0.000 0.250 533 V C 2.505 178.643 176.094 0.075 0.000 1.060 533 V CA 2.421 64.919 62.300 0.331 0.000 1.030 533 V CB -0.704 31.535 31.823 0.694 0.000 0.643 533 V HN 0.508 nan 8.190 nan 0.000 0.445 534 Q N -0.658 119.007 119.800 -0.225 0.000 2.061 534 Q HA -0.305 4.035 4.340 -0.000 0.000 0.204 534 Q C 2.408 178.241 176.000 -0.278 0.000 0.984 534 Q CA 2.273 57.692 55.803 -0.639 0.000 0.846 534 Q CB -0.101 28.047 28.738 -0.984 0.000 0.902 534 Q HN 0.729 nan 8.270 nan 0.000 0.421 535 Q N -0.352 119.366 119.800 -0.136 0.000 2.084 535 Q HA -0.238 4.102 4.340 -0.000 0.000 0.202 535 Q C 2.046 178.030 176.000 -0.028 0.000 0.978 535 Q CA 1.491 57.254 55.803 -0.067 0.000 0.844 535 Q CB -0.081 28.644 28.738 -0.021 0.000 0.898 535 Q HN 0.257 nan 8.270 nan 0.000 0.426 536 Q N 0.979 120.784 119.800 0.008 0.000 2.084 536 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 536 Q C 1.808 177.835 176.000 0.045 0.000 0.978 536 Q CA 1.399 57.222 55.803 0.032 0.000 0.844 536 Q CB -0.185 28.586 28.738 0.054 0.000 0.898 536 Q HN 0.396 nan 8.270 nan 0.000 0.426 537 L N -0.454 120.801 121.223 0.052 0.000 2.083 537 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 537 L C 2.556 179.436 176.870 0.018 0.000 1.083 537 L CA 1.368 56.257 54.840 0.081 0.000 0.752 537 L CB -0.350 41.760 42.059 0.086 0.000 0.899 537 L HN 0.186 nan 8.230 nan 0.000 0.433 538 R N -0.168 120.313 120.500 -0.032 0.000 2.081 538 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 538 R C 2.455 178.739 176.300 -0.026 0.000 1.131 538 R CA 1.382 57.456 56.100 -0.044 0.000 0.960 538 R CB -0.421 29.842 30.300 -0.061 0.000 0.856 538 R HN 0.359 nan 8.270 nan 0.000 0.436 539 A N 0.900 123.713 122.820 -0.011 0.000 1.898 539 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 539 A C 2.111 179.699 177.584 0.006 0.000 1.181 539 A CA 1.128 53.163 52.037 -0.003 0.000 0.620 539 A CB -0.409 18.593 19.000 0.003 0.000 0.819 539 A HN 0.190 nan 8.150 nan 0.000 0.442 540 I N -0.714 119.871 120.570 0.025 0.000 2.226 540 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 540 I C 2.785 178.908 176.117 0.010 0.000 1.100 540 I CA 1.795 63.121 61.300 0.043 0.000 1.374 540 I CB -0.273 37.785 38.000 0.097 0.000 1.057 540 I HN 0.515 nan 8.210 nan 0.000 0.413 541 Q N 0.771 120.556 119.800 -0.025 0.000 2.135 541 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 541 Q C 2.126 178.083 176.000 -0.072 0.000 0.981 541 Q CA 1.909 57.659 55.803 -0.088 0.000 0.856 541 Q CB -0.278 28.396 28.738 -0.108 0.000 0.902 541 Q HN 0.565 nan 8.270 nan 0.000 0.425 542 G N -0.069 108.705 108.800 -0.044 0.000 2.484 542 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.218 542 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.218 542 G C 1.112 175.999 174.900 -0.023 0.000 1.130 542 G CA 0.497 45.576 45.100 -0.036 0.000 0.784 542 G HN 0.450 nan 8.290 nan 0.000 0.543 543 E N -0.582 119.611 120.200 -0.010 0.000 2.371 543 E HA 0.118 4.468 4.350 -0.000 0.000 0.194 543 E C 0.625 177.230 176.600 0.008 0.000 1.012 543 E CA -0.352 56.051 56.400 0.006 0.000 0.860 543 E CB -0.030 29.684 29.700 0.022 0.000 0.811 543 E HN 0.281 nan 8.360 nan 0.000 0.502 544 L N 1.363 122.580 121.223 -0.009 0.000 2.417 544 L HA 0.057 4.397 4.340 -0.000 0.000 0.268 544 L C 1.367 178.223 176.870 -0.024 0.000 1.158 544 L CA -0.433 54.401 54.840 -0.009 0.000 0.819 544 L CB 0.785 42.812 42.059 -0.054 0.000 1.112 544 L HN -0.058 nan 8.230 nan 0.000 0.458 545 K N 0.814 121.204 120.400 -0.016 0.000 2.108 545 K HA 0.097 4.417 4.320 -0.000 0.000 0.204 545 K C 0.563 177.136 176.600 -0.046 0.000 1.036 545 K CA 0.671 56.940 56.287 -0.030 0.000 0.965 545 K CB 0.081 32.562 32.500 -0.031 0.000 0.804 545 K HN 0.481 nan 8.250 nan 0.000 0.454 546 Q N 1.634 121.406 119.800 -0.047 0.000 2.368 546 Q HA 0.215 4.555 4.340 -0.000 0.000 0.237 546 Q C -2.089 173.872 176.000 -0.065 0.000 0.987 546 Q CA -1.740 54.033 55.803 -0.050 0.000 0.896 546 Q CB -0.102 28.609 28.738 -0.044 0.000 1.241 546 Q HN 0.132 nan 8.270 nan 0.000 0.485 547 P HA 0.046 nan 4.420 nan 0.000 0.271 547 P C -0.626 176.582 177.300 -0.153 0.000 1.218 547 P CA -0.103 62.932 63.100 -0.107 0.000 0.780 547 P CB 0.582 32.234 31.700 -0.079 0.000 0.901 548 S N 0.357 115.883 115.700 -0.291 0.000 2.472 548 S HA 0.271 4.741 4.470 -0.000 0.000 0.191 548 S C -1.780 172.574 174.600 -0.410 0.000 1.244 548 S CA -0.956 56.892 58.200 -0.587 0.000 1.227 548 S CB 0.592 63.074 63.200 -1.198 0.000 1.381 548 S HN 0.251 nan 8.310 nan 0.000 0.394 549 P HA -0.074 nan 4.420 nan 0.000 0.220 549 P C 0.906 178.091 177.300 -0.191 0.000 1.148 549 P CA 1.218 64.216 63.100 -0.169 0.000 0.803 549 P CB 0.171 31.804 31.700 -0.112 0.000 0.782 550 E N -0.255 119.784 120.200 -0.269 0.000 2.110 550 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 550 E C 1.947 178.353 176.600 -0.323 0.000 0.988 550 E CA 0.684 56.824 56.400 -0.435 0.000 0.804 550 E CB -1.001 28.048 29.700 -1.085 0.000 0.745 550 E HN 0.135 nan 8.360 nan 0.000 0.458 551 L N 1.002 122.007 121.223 -0.363 0.000 2.072 551 L HA -0.111 4.229 4.340 -0.000 0.000 0.205 551 L C 1.380 178.229 176.870 -0.036 0.000 1.079 551 L CA 1.809 56.564 54.840 -0.141 0.000 0.752 551 L CB -0.476 41.374 42.059 -0.349 0.000 0.906 551 L HN 0.029 nan 8.230 nan 0.000 0.436 552 D N -0.035 120.298 120.400 -0.111 0.000 2.116 552 D HA -0.234 4.406 4.640 -0.000 0.000 0.193 552 D C 2.060 178.371 176.300 0.018 0.000 0.998 552 D CA 1.757 55.724 54.000 -0.054 0.000 0.836 552 D CB 0.038 40.789 40.800 -0.081 0.000 0.951 552 D HN 0.495 nan 8.370 nan 0.000 0.449 553 A N 0.837 123.671 122.820 0.023 0.000 1.898 553 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 553 A C 2.178 179.897 177.584 0.224 0.000 1.181 553 A CA 0.905 52.990 52.037 0.080 0.000 0.620 553 A CB -0.685 18.301 19.000 -0.023 0.000 0.819 553 A HN 0.227 nan 8.150 nan 0.000 0.442 554 L N 0.268 121.666 121.223 0.292 0.000 1.989 554 L HA -0.160 4.180 4.340 -0.000 0.000 0.211 554 L C 2.242 179.355 176.870 0.405 0.000 1.071 554 L CA 1.975 57.050 54.840 0.391 0.000 0.749 554 L CB -0.570 41.787 42.059 0.497 0.000 0.890 554 L HN 0.445 nan 8.230 nan 0.000 0.431 555 I N -0.268 120.437 120.570 0.224 0.000 2.264 555 I HA -0.295 3.875 4.170 -0.000 0.000 0.248 555 I C 2.389 178.569 176.117 0.106 0.000 1.111 555 I CA 1.283 62.613 61.300 0.050 0.000 1.382 555 I CB -0.593 37.380 38.000 -0.045 0.000 1.060 555 I HN 0.389 nan 8.210 nan 0.000 0.418 556 A N 0.101 123.014 122.820 0.155 0.000 2.206 556 A HA 0.243 4.563 4.320 -0.000 0.000 0.211 556 A C 1.777 179.496 177.584 0.224 0.000 1.158 556 A CA 0.969 53.093 52.037 0.146 0.000 0.761 556 A CB -0.494 18.565 19.000 0.099 0.000 0.801 556 A HN 0.609 nan 8.150 nan 0.000 0.473 557 G N -1.677 107.324 108.800 0.334 0.000 2.135 557 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.183 557 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.183 557 G C 0.008 174.985 174.900 0.128 0.000 1.004 557 G CA 0.171 45.417 45.100 0.244 0.000 0.677 557 G HN 0.871 nan 8.290 nan 0.000 0.512 558 H N 1.731 120.862 119.070 0.101 0.000 2.928 558 H HA 0.431 4.987 4.556 -0.000 0.000 0.338 558 H C -1.785 173.563 175.328 0.033 0.000 1.047 558 H CA 0.047 56.137 56.048 0.070 0.000 1.435 558 H CB 0.659 30.487 29.762 0.110 0.000 1.428 558 H HN 0.199 nan 8.280 nan 0.000 0.590 559 P HA -0.024 nan 4.420 nan 0.000 0.268 559 P C -0.917 176.320 177.300 -0.105 0.000 1.208 559 P CA -0.023 62.916 63.100 -0.269 0.000 0.777 559 P CB 0.623 32.130 31.700 -0.322 0.000 0.875 560 V N 1.764 121.661 119.914 -0.028 0.000 2.483 560 V HA 0.536 4.656 4.120 -0.000 0.000 0.295 560 V C 0.455 176.534 176.094 -0.024 0.000 1.035 560 V CA -0.979 61.319 62.300 -0.003 0.000 0.896 560 V CB 1.239 33.057 31.823 -0.008 0.000 0.986 560 V HN 0.665 nan 8.190 nan 0.000 0.447 561 A N 3.270 126.075 122.820 -0.025 0.000 2.440 561 A HA 0.444 4.764 4.320 -0.000 0.000 0.251 561 A C -0.017 177.641 177.584 0.123 0.000 1.089 561 A CA -0.027 52.015 52.037 0.009 0.000 0.779 561 A CB 0.151 19.077 19.000 -0.124 0.000 1.022 561 A HN 1.025 nan 8.150 nan 0.000 0.492 562 C N 3.923 123.317 119.300 0.157 0.000 2.364 562 C HA 0.555 5.015 4.460 -0.000 0.000 0.324 562 C C 0.129 175.011 174.990 -0.179 0.000 1.234 562 C CA -0.890 58.160 59.018 0.053 0.000 1.417 562 C CB 0.274 28.005 27.740 -0.016 0.000 2.101 562 C HN 0.970 nan 8.230 nan 0.000 0.466 563 K N 4.019 123.957 120.400 -0.769 0.000 2.368 563 K HA 0.358 4.678 4.320 -0.000 0.000 0.282 563 K C 0.465 176.631 176.600 -0.722 0.000 1.035 563 K CA 0.257 55.887 56.287 -1.095 0.000 0.973 563 K CB 0.757 32.353 32.500 -1.507 0.000 0.957 563 K HN 0.868 nan 8.250 nan 0.000 0.474 564 T N 1.013 115.239 114.554 -0.548 0.000 2.909 564 T HA 0.278 4.628 4.350 -0.000 0.000 0.286 564 T C 0.449 174.941 174.700 -0.346 0.000 1.002 564 T CA -0.835 61.034 62.100 -0.386 0.000 1.074 564 T CB 1.207 69.872 68.868 -0.340 0.000 0.984 564 T HN 0.577 nan 8.240 nan 0.000 0.495 565 N N 0.455 118.972 118.700 -0.305 0.000 2.382 565 N HA 0.134 4.874 4.740 -0.000 0.000 0.200 565 N C 1.162 176.477 175.510 -0.324 0.000 1.122 565 N CA 0.002 52.847 53.050 -0.341 0.000 0.870 565 N CB 0.106 38.335 38.487 -0.430 0.000 1.176 565 N HN 0.514 nan 8.380 nan 0.000 0.474 566 L N 1.424 122.512 121.223 -0.225 0.000 2.269 566 L HA 0.265 4.605 4.340 -0.000 0.000 0.200 566 L C 2.032 178.881 176.870 -0.036 0.000 1.069 566 L CA 1.476 56.252 54.840 -0.108 0.000 0.804 566 L CB -0.309 41.755 42.059 0.008 0.000 0.987 566 L HN -0.137 nan 8.230 nan 0.000 0.468 567 K N -0.885 119.451 120.400 -0.108 0.000 2.097 567 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 567 K C 2.036 178.599 176.600 -0.061 0.000 1.049 567 K CA 1.533 57.772 56.287 -0.080 0.000 0.933 567 K CB -0.168 32.090 32.500 -0.404 0.000 0.717 567 K HN 0.265 nan 8.250 nan 0.000 0.442 568 V N 1.540 121.381 119.914 -0.123 0.000 2.594 568 V HA -0.178 3.942 4.120 -0.000 0.000 0.253 568 V C 1.904 177.962 176.094 -0.061 0.000 1.069 568 V CA 1.511 63.748 62.300 -0.104 0.000 1.082 568 V CB -0.369 31.364 31.823 -0.150 0.000 0.680 568 V HN 0.341 nan 8.190 nan 0.000 0.469 569 R N -0.154 120.312 120.500 -0.057 0.000 2.236 569 R HA 0.164 4.504 4.340 -0.000 0.000 0.208 569 R C 1.430 177.728 176.300 -0.003 0.000 1.036 569 R CA 0.703 56.783 56.100 -0.033 0.000 1.001 569 R CB -0.389 29.884 30.300 -0.046 0.000 0.896 569 R HN 0.471 nan 8.270 nan 0.000 0.464 570 L N 0.414 121.650 121.223 0.021 0.000 2.928 570 L HA 0.355 4.695 4.340 -0.000 0.000 0.246 570 L C 0.569 177.461 176.870 0.037 0.000 1.239 570 L CA -0.393 54.470 54.840 0.038 0.000 1.035 570 L CB 0.356 42.464 42.059 0.081 0.000 1.360 570 L HN -0.067 nan 8.230 nan 0.000 0.529 579 S N -0.978 114.664 115.700 -0.096 0.000 2.522 579 S HA 0.281 4.751 4.470 -0.000 0.000 0.227 579 S C 0.383 174.744 174.600 -0.399 0.000 0.986 579 S CA 0.589 58.654 58.200 -0.225 0.000 0.929 579 S CB -0.377 62.710 63.200 -0.189 0.000 0.769 579 S HN 0.492 nan 8.310 nan 0.000 0.529 580 Y N 0.171 120.384 120.300 -0.145 0.000 2.545 580 Y HA 0.629 5.179 4.550 -0.000 0.000 0.348 580 Y C -0.188 175.623 175.900 -0.148 0.000 1.002 580 Y CA -1.078 56.928 58.100 -0.157 0.000 1.039 580 Y CB 2.309 40.699 38.460 -0.117 0.000 1.271 580 Y HN 0.101 nan 8.280 nan 0.000 0.467 581 V N -0.680 119.259 119.914 0.041 0.000 3.167 581 V HA 0.744 4.864 4.120 -0.000 0.000 0.310 581 V C -1.161 174.935 176.094 0.002 0.000 1.207 581 V CA -1.295 60.994 62.300 -0.019 0.000 1.059 581 V CB 2.288 34.050 31.823 -0.101 0.000 1.079 581 V HN 0.648 nan 8.190 nan 0.000 0.446 582 R N 1.093 121.576 120.500 -0.029 0.000 2.514 582 R HA 0.741 5.081 4.340 -0.000 0.000 0.301 582 R C -1.302 174.978 176.300 -0.033 0.000 0.962 582 R CA -0.576 55.502 56.100 -0.036 0.000 0.882 582 R CB 1.691 31.953 30.300 -0.063 0.000 1.143 582 R HN 0.787 nan 8.270 nan 0.000 0.452 583 L N 4.026 125.247 121.223 -0.004 0.000 2.346 583 L HA 0.461 4.801 4.340 -0.000 0.000 0.276 583 L C -2.165 174.726 176.870 0.035 0.000 1.006 583 L CA -2.350 52.523 54.840 0.054 0.000 0.817 583 L CB 2.163 44.325 42.059 0.172 0.000 1.272 583 L HN 0.206 nan 8.230 nan 0.000 0.421 584 P HA -0.036 nan 4.420 nan 0.000 0.267 584 P C -0.334 176.771 177.300 -0.324 0.000 1.200 584 P CA 0.008 63.008 63.100 -0.167 0.000 0.772 584 P CB 0.659 32.256 31.700 -0.172 0.000 0.855 585 S N 3.039 118.477 115.700 -0.437 0.000 2.576 585 S HA 0.175 4.644 4.470 -0.000 0.000 0.276 585 S C -1.423 172.517 174.600 -1.101 0.000 1.339 585 S CA -1.145 56.560 58.200 -0.825 0.000 1.039 585 S CB -0.282 62.466 63.200 -0.754 0.000 0.902 585 S HN 0.244 nan 8.310 nan 0.000 0.516 586 P HA 0.080 nan 4.420 nan 0.000 0.225 586 P C -0.503 176.407 177.300 -0.650 0.000 1.148 586 P CA 0.857 63.167 63.100 -1.317 0.000 0.779 586 P CB 0.003 30.570 31.700 -1.889 0.000 0.780 587 W N 0.000 121.134 121.300 -0.277 0.000 2.388 587 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 587 W CA 0.000 57.265 57.345 -0.134 0.000 1.226 587 W CB 0.000 29.421 29.460 -0.064 0.000 1.126 587 W HN 0.000 nan 8.180 nan 0.000 0.535