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 2w02_1_B DATA FIRST_RESID 7 DATA SEQUENCE DVLSRMISEK AALHGLLNCL IKEFAIPEGY LRYEWPDEMK GIPPGAYFDG DATA SEQUENCE ADWKGIPMMI GLPDQLQLFV MVDRRDTFGS QHYLSDVYLR QXXGDWQCPD 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 KVRLAAEADR QASYVRLPSP 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 0.000 176.286 176.300 -0.023 0.000 2.045 7 D CA 0.000 53.987 54.000 -0.022 0.000 0.868 7 D CB 0.000 40.793 40.800 -0.012 0.000 0.688 8 V N 1.996 121.897 119.914 -0.021 0.000 2.453 8 V HA -0.030 4.003 4.120 -0.145 0.000 0.247 8 V C 2.647 178.723 176.094 -0.030 0.000 1.048 8 V CA 1.486 63.773 62.300 -0.021 0.000 1.049 8 V CB -0.347 31.467 31.823 -0.014 0.000 0.672 8 V HN 0.229 nan 8.190 nan 0.000 0.457 9 L N 0.269 121.473 121.223 -0.032 0.000 2.042 9 L HA -0.147 4.106 4.340 -0.145 0.000 0.210 9 L C 2.544 179.385 176.870 -0.047 0.000 1.076 9 L CA 2.117 56.935 54.840 -0.037 0.000 0.749 9 L CB -0.678 41.359 42.059 -0.037 0.000 0.893 9 L HN 0.267 nan 8.230 nan 0.000 0.432 10 S N -0.760 114.910 115.700 -0.050 0.000 2.368 10 S HA -0.220 4.163 4.470 -0.145 0.000 0.225 10 S C 2.070 176.636 174.600 -0.056 0.000 1.030 10 S CA 1.442 59.609 58.200 -0.055 0.000 0.999 10 S CB -0.374 62.791 63.200 -0.059 0.000 0.844 10 S HN 0.444 nan 8.310 nan 0.000 0.459 11 R N 0.860 121.324 120.500 -0.060 0.000 2.083 11 R HA -0.036 4.217 4.340 -0.145 0.000 0.237 11 R C 2.319 178.542 176.300 -0.129 0.000 1.137 11 R CA 1.528 57.575 56.100 -0.089 0.000 0.951 11 R CB -0.266 29.992 30.300 -0.070 0.000 0.851 11 R HN 0.375 nan 8.270 nan 0.000 0.434 12 M N 0.093 119.635 119.600 -0.096 0.000 2.159 12 M HA -0.150 4.243 4.480 -0.145 0.000 0.263 12 M C 2.259 178.487 176.300 -0.121 0.000 1.063 12 M CA 1.463 56.702 55.300 -0.101 0.000 1.110 12 M CB -0.299 32.266 32.600 -0.059 0.000 1.374 12 M HN 0.219 nan 8.290 nan 0.000 0.411 13 I N 0.437 120.951 120.570 -0.093 0.000 2.142 13 I HA -0.290 3.793 4.170 -0.145 0.000 0.240 13 I C 2.744 178.789 176.117 -0.120 0.000 1.078 13 I CA 1.806 63.052 61.300 -0.089 0.000 1.343 13 I CB -0.662 37.331 38.000 -0.013 0.000 1.046 13 I HN 0.370 nan 8.210 nan 0.000 0.405 14 S N 0.404 116.061 115.700 -0.072 0.000 2.399 14 S HA -0.192 4.191 4.470 -0.145 0.000 0.231 14 S C 1.737 176.175 174.600 -0.270 0.000 1.022 14 S CA 1.169 59.330 58.200 -0.067 0.000 0.983 14 S CB -0.515 62.656 63.200 -0.049 0.000 0.803 14 S HN 0.506 nan 8.310 nan 0.000 0.480 15 E N 1.190 121.138 120.200 -0.420 0.000 2.107 15 E HA -0.053 4.210 4.350 -0.145 0.000 0.191 15 E C 2.166 178.591 176.600 -0.292 0.000 0.982 15 E CA 0.810 56.785 56.400 -0.709 0.000 0.809 15 E CB -0.105 29.216 29.700 -0.632 0.000 0.756 15 E HN 0.578 nan 8.360 nan 0.000 0.459 16 K N 0.749 120.991 120.400 -0.264 0.000 2.007 16 K HA -0.081 4.152 4.320 -0.145 0.000 0.206 16 K C 2.211 178.489 176.600 -0.538 0.000 1.047 16 K CA 0.990 57.063 56.287 -0.356 0.000 0.937 16 K CB -0.085 32.191 32.500 -0.372 0.000 0.718 16 K HN 0.043 nan 8.250 nan 0.000 0.438 17 A N 1.136 123.673 122.820 -0.471 0.000 1.908 17 A HA -0.164 4.069 4.320 -0.145 0.000 0.218 17 A C 2.276 179.800 177.584 -0.100 0.000 1.181 17 A CA 2.084 53.868 52.037 -0.421 0.000 0.627 17 A CB -0.719 17.840 19.000 -0.735 0.000 0.818 17 A HN 0.476 nan 8.150 nan 0.000 0.445 18 A N -0.484 122.325 122.820 -0.019 0.000 1.873 18 A HA 0.044 4.277 4.320 -0.145 0.000 0.215 18 A C 2.149 179.873 177.584 0.234 0.000 1.186 18 A CA 1.609 53.738 52.037 0.154 0.000 0.616 18 A CB -0.682 18.445 19.000 0.212 0.000 0.823 18 A HN 0.836 nan 8.150 nan 0.000 0.442 19 L N -0.277 121.124 121.223 0.297 0.000 2.012 19 L HA -0.235 4.018 4.340 -0.145 0.000 0.210 19 L C 2.287 179.256 176.870 0.165 0.000 1.073 19 L CA 2.602 57.581 54.840 0.232 0.000 0.748 19 L CB -0.998 41.207 42.059 0.244 0.000 0.891 19 L HN 0.581 nan 8.230 nan 0.000 0.431 20 H N -1.080 117.991 119.070 0.003 0.000 2.352 20 H HA -0.118 4.349 4.556 -0.148 0.000 0.299 20 H C 2.058 177.446 175.328 0.101 0.000 1.097 20 H CA 0.669 56.728 56.048 0.019 0.000 1.311 20 H CB -0.251 29.623 29.762 0.186 0.000 1.377 20 H HN 0.593 nan 8.280 nan 0.000 0.504 21 G N 0.965 109.904 108.800 0.233 0.000 2.418 21 G HA2 -0.237 3.636 3.960 -0.145 0.000 0.217 21 G HA3 -0.237 3.636 3.960 -0.145 0.000 0.217 21 G C 1.705 176.672 174.900 0.112 0.000 1.158 21 G CA 0.614 45.819 45.100 0.175 0.000 0.771 21 G HN 0.223 nan 8.290 nan 0.000 0.545 22 L N 0.363 121.637 121.223 0.085 0.000 2.093 22 L HA 0.161 4.414 4.340 -0.145 0.000 0.208 22 L C 2.671 179.552 176.870 0.018 0.000 1.085 22 L CA 1.242 56.102 54.840 0.033 0.000 0.755 22 L CB -0.361 41.705 42.059 0.011 0.000 0.904 22 L HN 0.201 nan 8.230 nan 0.000 0.435 23 L N -0.591 120.619 121.223 -0.022 0.000 2.046 23 L HA -0.213 4.040 4.340 -0.145 0.000 0.208 23 L C 2.314 179.226 176.870 0.070 0.000 1.077 23 L CA 1.099 55.894 54.840 -0.074 0.000 0.747 23 L CB -0.839 40.977 42.059 -0.405 0.000 0.896 23 L HN 0.326 nan 8.230 nan 0.000 0.432 24 N N -0.232 118.561 118.700 0.155 0.000 2.037 24 N HA -0.216 4.437 4.740 -0.145 0.000 0.196 24 N C 1.881 177.464 175.510 0.123 0.000 1.034 24 N CA 1.854 55.013 53.050 0.182 0.000 0.861 24 N CB -0.765 37.833 38.487 0.185 0.000 1.039 24 N HN 0.331 nan 8.380 nan 0.000 0.427 25 C N 0.418 119.772 119.300 0.091 0.000 2.413 25 C HA -0.050 4.323 4.460 -0.145 0.000 0.276 25 C C 2.795 177.890 174.990 0.175 0.000 1.236 25 C CA 0.181 59.251 59.018 0.087 0.000 1.735 25 C CB -1.279 26.490 27.740 0.049 0.000 2.031 25 C HN 0.486 nan 8.230 nan 0.000 0.474 26 L N 0.206 121.525 121.223 0.160 0.000 2.042 26 L HA -0.158 4.095 4.340 -0.145 0.000 0.210 26 L C 2.335 179.342 176.870 0.229 0.000 1.076 26 L CA 1.853 56.818 54.840 0.208 0.000 0.749 26 L CB -0.299 41.799 42.059 0.065 0.000 0.893 26 L HN 0.360 nan 8.230 nan 0.000 0.432 27 I N -0.542 120.117 120.570 0.148 0.000 2.277 27 I HA -0.261 3.822 4.170 -0.145 0.000 0.243 27 I C 2.506 178.684 176.117 0.101 0.000 1.094 27 I CA 1.135 62.508 61.300 0.123 0.000 1.393 27 I CB -0.179 37.897 38.000 0.127 0.000 1.078 27 I HN 0.176 nan 8.210 nan 0.000 0.417 28 K N 0.615 121.069 120.400 0.091 0.000 2.057 28 K HA -0.149 4.084 4.320 -0.145 0.000 0.206 28 K C 1.836 178.420 176.600 -0.027 0.000 1.050 28 K CA 1.398 57.713 56.287 0.047 0.000 0.935 28 K CB -0.044 32.486 32.500 0.050 0.000 0.715 28 K HN 0.394 nan 8.250 nan 0.000 0.439 29 E N -1.078 119.087 120.200 -0.059 0.000 2.276 29 E HA 0.012 4.275 4.350 -0.145 0.000 0.193 29 E C 1.171 177.472 176.600 -0.499 0.000 0.983 29 E CA 0.607 56.822 56.400 -0.309 0.000 0.861 29 E CB 0.285 29.730 29.700 -0.424 0.000 0.817 29 E HN 0.196 nan 8.360 nan 0.000 0.485 30 F N 0.026 119.976 119.950 0.001 0.000 2.463 30 F HA 0.314 4.842 4.527 0.001 0.000 0.271 30 F C 2.238 178.029 175.800 -0.015 0.000 0.888 30 F CA 0.283 58.297 58.000 0.022 0.000 1.149 30 F CB -0.578 38.486 39.000 0.105 0.000 1.071 30 F HN -0.088 nan 8.300 nan 0.000 0.802 31 A N 0.915 123.883 122.820 0.247 0.000 1.883 31 A HA -0.128 4.105 4.320 -0.145 0.000 0.217 31 A C 2.132 179.716 177.584 0.000 0.000 1.186 31 A CA 1.962 54.092 52.037 0.155 0.000 0.624 31 A CB -1.124 17.958 19.000 0.137 0.000 0.822 31 A HN 0.388 nan 8.150 nan 0.000 0.444 32 I N -0.059 120.508 120.570 -0.005 0.000 2.193 32 I HA -0.104 3.979 4.170 -0.145 0.000 0.240 32 I C -0.441 175.624 176.117 -0.086 0.000 1.084 32 I CA 1.188 62.467 61.300 -0.035 0.000 1.365 32 I CB -1.101 36.902 38.000 0.005 0.000 1.064 32 I HN 0.258 nan 8.210 nan 0.000 0.410 33 P HA -0.080 nan 4.420 nan 0.000 0.227 33 P C 0.941 178.129 177.300 -0.187 0.000 1.161 33 P CA 1.193 64.218 63.100 -0.124 0.000 0.788 33 P CB -0.056 31.572 31.700 -0.119 0.000 0.822 34 E N -0.638 119.380 120.200 -0.304 0.000 2.489 34 E HA 0.144 4.407 4.350 -0.145 0.000 0.193 34 E C 1.115 177.332 176.600 -0.638 0.000 1.057 34 E CA 0.610 56.687 56.400 -0.538 0.000 0.866 34 E CB -0.397 28.779 29.700 -0.873 0.000 0.916 34 E HN 0.241 nan 8.360 nan 0.000 0.500 35 G N 1.796 110.369 108.800 -0.377 0.000 2.198 35 G HA2 -0.284 3.589 3.960 -0.145 0.000 0.257 35 G HA3 -0.284 3.589 3.960 -0.145 0.000 0.257 35 G C 0.177 175.029 174.900 -0.080 0.000 1.042 35 G CA 0.253 45.239 45.100 -0.190 0.000 0.791 35 G HN 0.243 nan 8.290 nan 0.000 0.502 36 Y N -1.166 119.132 120.300 -0.003 0.000 2.466 36 Y HA 0.471 4.924 4.550 -0.162 0.000 0.272 36 Y C 1.550 177.424 175.900 -0.044 0.000 1.169 36 Y CA -0.557 57.535 58.100 -0.012 0.000 1.285 36 Y CB 0.217 38.681 38.460 0.007 0.000 1.078 36 Y HN 0.469 nan 8.280 nan 0.000 0.523 37 L N 1.484 122.735 121.223 0.046 0.000 2.307 37 L HA 0.609 4.862 4.340 -0.145 0.000 0.284 37 L C -0.739 176.027 176.870 -0.173 0.000 1.023 37 L CA -0.602 54.185 54.840 -0.088 0.000 0.810 37 L CB 0.821 42.797 42.059 -0.139 0.000 1.231 37 L HN -0.129 nan 8.230 nan 0.000 0.423 38 R N 4.108 124.465 120.500 -0.239 0.000 2.686 38 R HA 0.268 4.521 4.340 -0.145 0.000 0.283 38 R C -1.656 174.412 176.300 -0.386 0.000 0.978 38 R CA -0.606 55.356 56.100 -0.229 0.000 0.897 38 R CB 1.463 31.720 30.300 -0.072 0.000 1.192 38 R HN 0.569 nan 8.270 nan 0.000 0.457 39 Y N 2.014 122.278 120.300 -0.059 0.000 2.714 39 Y HA 0.170 4.635 4.550 -0.142 0.000 0.333 39 Y C 0.658 176.477 175.900 -0.136 0.000 1.220 39 Y CA -0.158 57.872 58.100 -0.117 0.000 1.513 39 Y CB 0.345 38.742 38.460 -0.104 0.000 1.435 39 Y HN 0.474 nan 8.280 nan 0.000 0.489 40 E N -0.226 119.924 120.200 -0.083 0.000 2.430 40 E HA 0.329 4.591 4.350 -0.145 0.000 0.279 40 E C -1.682 174.832 176.600 -0.143 0.000 1.003 40 E CA -1.251 55.101 56.400 -0.080 0.000 0.801 40 E CB 1.133 30.848 29.700 0.025 0.000 1.313 40 E HN 0.267 nan 8.360 nan 0.000 0.459 41 W N 1.294 122.570 121.300 -0.041 0.000 2.261 41 W HA 0.341 4.916 4.660 -0.142 0.000 0.323 41 W C -2.003 174.468 176.519 -0.080 0.000 1.243 41 W CA -1.389 55.893 57.345 -0.105 0.000 1.210 41 W CB 0.226 29.544 29.460 -0.236 0.000 1.149 41 W HN 0.355 nan 8.180 nan 0.000 0.562 42 P HA -0.084 nan 4.420 nan 0.000 0.267 42 P C 0.460 177.809 177.300 0.082 0.000 1.201 42 P CA 0.247 63.424 63.100 0.129 0.000 0.775 42 P CB 0.864 32.640 31.700 0.126 0.000 0.854 43 D N 0.226 120.675 120.400 0.081 0.000 2.084 43 D HA -0.116 4.437 4.640 -0.145 0.000 0.194 43 D C 0.563 176.872 176.300 0.016 0.000 0.990 43 D CA 1.595 55.617 54.000 0.035 0.000 0.826 43 D CB -0.074 40.743 40.800 0.028 0.000 0.971 43 D HN 0.429 nan 8.370 nan 0.000 0.453 44 E N -0.134 120.098 120.200 0.053 0.000 2.151 44 E HA 0.197 4.460 4.350 -0.145 0.000 0.275 44 E C -0.008 176.675 176.600 0.139 0.000 0.936 44 E CA -0.169 56.262 56.400 0.053 0.000 0.777 44 E CB 0.950 30.669 29.700 0.032 0.000 1.108 44 E HN -0.147 nan 8.360 nan 0.000 0.401 45 M N 3.070 122.684 119.600 0.023 0.000 2.475 45 M HA 0.174 4.567 4.480 -0.145 0.000 0.283 45 M C 0.194 176.527 176.300 0.056 0.000 1.165 45 M CA -0.147 55.103 55.300 -0.084 0.000 0.976 45 M CB -0.322 32.077 32.600 -0.335 0.000 1.428 45 M HN 0.356 nan 8.290 nan 0.000 0.495 46 K N 1.135 121.625 120.400 0.150 0.000 2.436 46 K HA 0.246 4.479 4.320 -0.145 0.000 0.282 46 K C 1.055 177.780 176.600 0.209 0.000 1.044 46 K CA 1.172 57.534 56.287 0.126 0.000 1.028 46 K CB 0.348 32.891 32.500 0.072 0.000 0.919 46 K HN 0.499 nan 8.250 nan 0.000 0.474 47 G N 3.914 112.808 108.800 0.157 0.000 2.307 47 G HA2 -0.202 3.671 3.960 -0.145 0.000 0.210 47 G HA3 -0.202 3.671 3.960 -0.145 0.000 0.210 47 G C 0.120 175.113 174.900 0.156 0.000 1.005 47 G CA -0.246 44.979 45.100 0.208 0.000 0.634 47 G HN 0.580 nan 8.290 nan 0.000 0.496 48 I N 4.160 124.707 120.570 -0.040 0.000 2.352 48 I HA 0.327 4.410 4.170 -0.145 0.000 0.290 48 I C -1.571 174.543 176.117 -0.004 0.000 1.036 48 I CA -1.910 59.197 61.300 -0.321 0.000 1.336 48 I CB 1.141 38.747 38.000 -0.656 0.000 1.407 48 I HN 0.001 nan 8.210 nan 0.000 0.497 49 P HA 0.199 nan 4.420 nan 0.000 0.274 49 P C -2.193 175.136 177.300 0.047 0.000 1.231 49 P CA -1.551 61.606 63.100 0.095 0.000 0.790 49 P CB 0.376 32.152 31.700 0.127 0.000 0.951 50 P HA -0.194 nan 4.420 nan 0.000 0.216 50 P C 1.627 178.758 177.300 -0.282 0.000 1.153 50 P CA 1.948 64.868 63.100 -0.300 0.000 0.858 50 P CB -0.653 31.009 31.700 -0.064 0.000 0.789 51 G N 0.159 108.936 108.800 -0.039 0.000 2.470 51 G HA2 -0.189 3.683 3.960 -0.145 0.000 0.220 51 G HA3 -0.189 3.683 3.960 -0.145 0.000 0.220 51 G C 1.779 176.720 174.900 0.067 0.000 1.121 51 G CA 0.865 45.973 45.100 0.015 0.000 0.766 51 G HN 0.385 nan 8.290 nan 0.000 0.553 52 A N 0.445 123.338 122.820 0.120 0.000 1.933 52 A HA 0.025 4.258 4.320 -0.145 0.000 0.218 52 A C 2.015 179.821 177.584 0.370 0.000 1.175 52 A CA 1.752 53.955 52.037 0.276 0.000 0.628 52 A CB -0.440 18.746 19.000 0.310 0.000 0.814 52 A HN 0.898 nan 8.150 nan 0.000 0.444 53 Y N -5.352 115.151 120.300 0.337 0.000 2.563 53 Y HA 0.629 5.092 4.550 -0.145 0.000 0.250 53 Y C 0.021 176.307 175.900 0.644 0.000 1.126 53 Y CA -1.394 56.999 58.100 0.489 0.000 1.231 53 Y CB 0.125 38.965 38.460 0.633 0.000 1.288 53 Y HN 0.100 nan 8.280 nan 0.000 0.537 54 F N 3.504 123.464 119.950 0.016 0.000 2.562 54 F HA 0.420 4.860 4.527 -0.146 0.000 0.319 54 F C -0.240 175.545 175.800 -0.024 0.000 1.154 54 F CA -1.619 56.407 58.000 0.043 0.000 0.931 54 F CB 1.488 40.415 39.000 -0.121 0.000 1.198 54 F HN 0.075 nan 8.300 nan 0.000 0.444 55 D N 2.578 122.619 120.400 -0.597 0.000 2.328 55 D HA 0.287 4.840 4.640 -0.145 0.000 0.221 55 D C 1.492 177.360 176.300 -0.721 0.000 1.072 55 D CA 0.658 54.361 54.000 -0.495 0.000 0.850 55 D CB 0.448 41.109 40.800 -0.232 0.000 0.922 55 D HN 0.997 nan 8.370 nan 0.000 0.516 56 G N -0.704 107.169 108.800 -1.544 0.000 2.259 56 G HA2 -0.179 3.694 3.960 -0.145 0.000 0.217 56 G HA3 -0.179 3.694 3.960 -0.145 0.000 0.217 56 G C 0.966 175.515 174.900 -0.585 0.000 1.001 56 G CA 0.116 44.631 45.100 -0.976 0.000 0.627 56 G HN 0.864 nan 8.290 nan 0.000 0.501 57 A N -1.157 121.337 122.820 -0.542 0.000 1.937 57 A HA 0.615 4.848 4.320 -0.145 0.000 0.198 57 A C 0.361 177.873 177.584 -0.120 0.000 1.635 57 A CA 1.727 53.657 52.037 -0.179 0.000 1.111 57 A CB 0.786 19.698 19.000 -0.148 0.000 1.165 57 A HN 0.579 nan 8.150 nan 0.000 0.460 58 D N -2.859 117.421 120.400 -0.201 0.000 2.615 58 D HA 0.448 5.001 4.640 -0.145 0.000 0.267 58 D C -1.379 174.906 176.300 -0.024 0.000 1.236 58 D CA -0.608 53.282 54.000 -0.184 0.000 0.839 58 D CB 0.608 41.354 40.800 -0.091 0.000 1.380 58 D HN 0.251 nan 8.370 nan 0.000 0.433 59 W N 1.201 122.684 121.300 0.306 0.000 2.170 59 W HA 0.229 4.803 4.660 -0.143 0.000 0.342 59 W C 0.811 177.479 176.519 0.249 0.000 1.294 59 W CA -0.490 57.093 57.345 0.398 0.000 1.246 59 W CB 0.400 30.193 29.460 0.554 0.000 1.156 59 W HN -0.006 nan 8.180 nan 0.000 0.572 60 K N 3.597 124.298 120.400 0.501 0.000 2.307 60 K HA 0.338 4.571 4.320 -0.145 0.000 0.240 60 K C 0.730 177.468 176.600 0.230 0.000 1.214 60 K CA 0.343 56.795 56.287 0.274 0.000 1.149 60 K CB -0.225 32.407 32.500 0.219 0.000 1.668 60 K HN 0.792 nan 8.250 nan 0.000 0.314 61 G N 1.929 110.861 108.800 0.219 0.000 2.488 61 G HA2 -0.274 3.599 3.960 -0.145 0.000 0.237 61 G HA3 -0.274 3.599 3.960 -0.145 0.000 0.237 61 G C -0.472 174.486 174.900 0.096 0.000 1.209 61 G CA -0.785 44.389 45.100 0.124 0.000 0.929 61 G HN 0.390 nan 8.290 nan 0.000 0.578 62 I N 3.157 123.707 120.570 -0.033 0.000 2.433 62 I HA 0.433 4.516 4.170 -0.145 0.000 0.292 62 I C -2.038 173.898 176.117 -0.303 0.000 1.001 62 I CA -2.225 58.993 61.300 -0.137 0.000 1.119 62 I CB 2.571 40.505 38.000 -0.109 0.000 1.289 62 I HN 0.323 nan 8.210 nan 0.000 0.438 63 P HA 0.087 nan 4.420 nan 0.000 0.271 63 P C -1.008 176.048 177.300 -0.407 0.000 1.220 63 P CA -0.184 62.454 63.100 -0.771 0.000 0.768 63 P CB 0.955 31.880 31.700 -1.292 0.000 0.848 64 M N 4.822 124.149 119.600 -0.454 0.000 2.181 64 M HA 0.411 4.804 4.480 -0.145 0.000 0.323 64 M C -1.249 174.886 176.300 -0.274 0.000 1.004 64 M CA -0.672 54.441 55.300 -0.312 0.000 0.941 64 M CB 1.065 33.541 32.600 -0.208 0.000 1.579 64 M HN 0.292 nan 8.290 nan 0.000 0.427 65 M N 5.962 125.454 119.600 -0.179 0.000 2.311 65 M HA 0.547 4.940 4.480 -0.145 0.000 0.325 65 M C -1.322 174.955 176.300 -0.039 0.000 1.061 65 M CA -0.520 54.764 55.300 -0.027 0.000 0.957 65 M CB 2.144 34.774 32.600 0.050 0.000 1.646 65 M HN 0.628 nan 8.290 nan 0.000 0.434 66 I N 2.370 122.956 120.570 0.027 0.000 2.439 66 I HA 0.378 4.461 4.170 -0.145 0.000 0.283 66 I C 0.369 176.506 176.117 0.033 0.000 1.023 66 I CA -0.692 60.625 61.300 0.029 0.000 1.100 66 I CB 1.901 39.917 38.000 0.027 0.000 1.238 66 I HN 0.746 nan 8.210 nan 0.000 0.445 67 G N 7.228 116.033 108.800 0.009 0.000 2.355 67 G HA2 0.594 4.467 3.960 -0.145 0.000 0.276 67 G HA3 0.594 4.467 3.960 -0.145 0.000 0.276 67 G C -0.668 174.102 174.900 -0.217 0.000 1.198 67 G CA -0.312 44.748 45.100 -0.066 0.000 0.876 67 G HN 0.461 nan 8.290 nan 0.000 0.478 68 L N 4.127 125.202 121.223 -0.246 0.000 2.298 68 L HA 0.294 4.547 4.340 -0.145 0.000 0.284 68 L C -1.625 175.008 176.870 -0.396 0.000 1.013 68 L CA -1.953 52.667 54.840 -0.367 0.000 0.824 68 L CB 2.906 44.819 42.059 -0.244 0.000 1.221 68 L HN 0.342 nan 8.230 nan 0.000 0.418 69 P HA -0.181 nan 4.420 nan 0.000 0.229 69 P C 0.119 177.176 177.300 -0.405 0.000 1.147 69 P CA 0.962 63.840 63.100 -0.369 0.000 0.766 69 P CB -0.137 31.398 31.700 -0.275 0.000 0.775 70 D N -1.867 118.210 120.400 -0.538 0.000 2.395 70 D HA 0.012 4.565 4.640 -0.145 0.000 0.226 70 D C 0.380 176.502 176.300 -0.297 0.000 1.146 70 D CA -0.456 53.212 54.000 -0.554 0.000 0.830 70 D CB -0.649 39.733 40.800 -0.696 0.000 0.958 70 D HN 0.093 nan 8.370 nan 0.000 0.501 71 Q N -1.365 118.290 119.800 -0.241 0.000 2.489 71 Q HA -0.205 4.048 4.340 -0.145 0.000 0.259 71 Q C -0.726 175.166 176.000 -0.180 0.000 0.934 71 Q CA 0.222 55.916 55.803 -0.181 0.000 1.131 71 Q CB -1.427 27.222 28.738 -0.147 0.000 1.472 71 Q HN 0.382 nan 8.270 nan 0.000 0.560 72 L N 1.201 122.308 121.223 -0.193 0.000 2.289 72 L HA 0.341 4.594 4.340 -0.145 0.000 0.285 72 L C -0.157 176.642 176.870 -0.118 0.000 1.049 72 L CA 0.445 55.190 54.840 -0.159 0.000 0.804 72 L CB 1.409 43.374 42.059 -0.155 0.000 1.195 72 L HN 0.047 nan 8.230 nan 0.000 0.428 73 Q N 4.428 124.177 119.800 -0.085 0.000 2.342 73 Q HA 0.598 4.851 4.340 -0.145 0.000 0.267 73 Q C -1.441 174.703 176.000 0.241 0.000 1.038 73 Q CA -0.658 55.174 55.803 0.047 0.000 0.832 73 Q CB 2.882 31.643 28.738 0.038 0.000 1.323 73 Q HN 0.679 nan 8.270 nan 0.000 0.448 74 L N 2.678 124.076 121.223 0.291 0.000 2.365 74 L HA 0.663 4.916 4.340 -0.145 0.000 0.273 74 L C -1.740 175.322 176.870 0.320 0.000 1.000 74 L CA -0.822 54.208 54.840 0.317 0.000 0.819 74 L CB 1.072 43.201 42.059 0.117 0.000 1.284 74 L HN 0.675 nan 8.230 nan 0.000 0.418 75 F N 5.780 125.768 119.950 0.063 0.000 2.507 75 F HA 0.756 5.195 4.527 -0.147 0.000 0.325 75 F C -1.550 174.194 175.800 -0.093 0.000 1.116 75 F CA -0.526 57.351 58.000 -0.206 0.000 0.930 75 F CB 1.816 40.347 39.000 -0.780 0.000 1.146 75 F HN 0.263 nan 8.300 nan 0.000 0.447 76 V N 7.523 126.915 119.914 -0.870 0.000 2.891 76 V HA 0.420 4.453 4.120 -0.145 0.000 0.304 76 V C -1.245 174.394 176.094 -0.757 0.000 1.171 76 V CA -0.868 61.052 62.300 -0.635 0.000 0.943 76 V CB 2.219 33.912 31.823 -0.217 0.000 1.037 76 V HN 0.754 nan 8.190 nan 0.000 0.427 77 M N 6.246 125.540 119.600 -0.511 0.000 2.162 77 M HA 0.464 4.857 4.480 -0.145 0.000 0.356 77 M C -0.258 175.985 176.300 -0.095 0.000 1.303 77 M CA 0.048 55.174 55.300 -0.290 0.000 1.116 77 M CB 0.735 33.300 32.600 -0.058 0.000 1.632 77 M HN 0.673 nan 8.290 nan 0.000 0.469 78 V N 1.291 121.156 119.914 -0.082 0.000 3.074 78 V HA 0.617 4.650 4.120 -0.145 0.000 0.314 78 V C 0.388 176.467 176.094 -0.026 0.000 1.117 78 V CA -0.815 61.466 62.300 -0.032 0.000 1.014 78 V CB 2.093 33.910 31.823 -0.010 0.000 1.057 78 V HN 0.831 nan 8.190 nan 0.000 0.438 79 D N 0.605 120.993 120.400 -0.021 0.000 2.339 79 D HA 0.147 4.700 4.640 -0.145 0.000 0.217 79 D C 0.496 176.778 176.300 -0.031 0.000 1.050 79 D CA 0.072 54.071 54.000 -0.002 0.000 0.856 79 D CB 0.462 41.284 40.800 0.035 0.000 0.922 79 D HN 0.692 nan 8.370 nan 0.000 0.518 80 R N -0.340 120.119 120.500 -0.070 0.000 2.579 80 R HA 0.316 4.569 4.340 -0.145 0.000 0.260 80 R C -1.277 174.906 176.300 -0.195 0.000 1.103 80 R CA -0.646 55.391 56.100 -0.105 0.000 0.942 80 R CB 1.658 31.916 30.300 -0.069 0.000 1.251 80 R HN -0.158 nan 8.270 nan 0.000 0.450 81 R N 1.966 122.266 120.500 -0.333 0.000 2.308 81 R HA 0.254 4.507 4.340 -0.145 0.000 0.305 81 R C -1.071 175.117 176.300 -0.186 0.000 1.053 81 R CA -0.290 55.497 56.100 -0.522 0.000 0.957 81 R CB 1.119 30.998 30.300 -0.702 0.000 1.022 81 R HN 0.518 nan 8.270 nan 0.000 0.461 82 D N -0.030 120.345 120.400 -0.041 0.000 2.947 82 D HA 0.059 4.612 4.640 -0.145 0.000 0.224 82 D C 0.719 177.017 176.300 -0.003 0.000 1.230 82 D CA -0.389 53.598 54.000 -0.022 0.000 0.871 82 D CB 1.653 42.465 40.800 0.019 0.000 1.671 82 D HN 0.490 nan 8.370 nan 0.000 0.507 83 T N 0.382 114.854 114.554 -0.137 0.000 2.985 83 T HA -0.045 4.217 4.350 -0.145 0.000 0.266 83 T C 1.304 176.003 174.700 -0.002 0.000 1.076 83 T CA 0.677 62.678 62.100 -0.165 0.000 1.135 83 T CB -0.175 68.451 68.868 -0.403 0.000 0.890 83 T HN 0.293 nan 8.240 nan 0.000 0.480 84 F N 2.022 121.931 119.950 -0.069 0.000 2.732 84 F HA 0.501 4.941 4.527 -0.146 0.000 0.303 84 F C 1.984 177.799 175.800 0.025 0.000 1.110 84 F CA -1.217 56.766 58.000 -0.027 0.000 1.355 84 F CB -0.734 38.270 39.000 0.006 0.000 1.081 84 F HN 0.424 nan 8.300 nan 0.000 0.565 85 G N 0.532 109.448 108.800 0.193 0.000 2.198 85 G HA2 -0.271 3.602 3.960 -0.145 0.000 0.260 85 G HA3 -0.271 3.602 3.960 -0.145 0.000 0.260 85 G C 0.258 175.221 174.900 0.105 0.000 1.025 85 G CA 0.373 45.556 45.100 0.138 0.000 0.769 85 G HN 0.260 nan 8.290 nan 0.000 0.507 86 S N 1.353 117.116 115.700 0.105 0.000 2.404 86 S HA 0.620 5.003 4.470 -0.145 0.000 0.309 86 S C 0.081 174.629 174.600 -0.086 0.000 1.076 86 S CA -0.150 58.064 58.200 0.024 0.000 1.095 86 S CB 1.239 64.512 63.200 0.121 0.000 0.972 86 S HN 0.842 nan 8.310 nan 0.000 0.484 87 Q N 2.814 122.456 119.800 -0.263 0.000 2.472 87 Q HA 0.310 4.563 4.340 -0.145 0.000 0.281 87 Q C -1.668 173.919 176.000 -0.688 0.000 0.997 87 Q CA -0.840 54.748 55.803 -0.358 0.000 0.828 87 Q CB 0.704 29.307 28.738 -0.226 0.000 1.443 87 Q HN 0.557 nan 8.270 nan 0.000 0.390 88 H N 1.634 120.477 119.070 -0.377 0.000 2.548 88 H HA 0.297 4.767 4.556 -0.144 0.000 0.331 88 H C -0.728 174.322 175.328 -0.463 0.000 1.093 88 H CA -0.008 55.794 56.048 -0.410 0.000 1.367 88 H CB 0.472 30.135 29.762 -0.165 0.000 1.455 88 H HN 0.456 nan 8.280 nan 0.000 0.519 89 Y N 2.632 122.884 120.300 -0.081 0.000 2.404 89 Y HA 0.087 4.552 4.550 -0.142 0.000 0.344 89 Y C 1.192 177.083 175.900 -0.014 0.000 0.995 89 Y CA -0.521 57.488 58.100 -0.153 0.000 1.201 89 Y CB 0.487 38.683 38.460 -0.441 0.000 1.151 89 Y HN 0.450 nan 8.280 nan 0.000 0.517 90 L N 2.417 123.714 121.223 0.123 0.000 2.640 90 L HA 0.208 4.461 4.340 -0.145 0.000 0.230 90 L C 0.422 177.375 176.870 0.139 0.000 1.123 90 L CA -0.027 54.882 54.840 0.115 0.000 0.900 90 L CB -0.165 41.944 42.059 0.083 0.000 1.146 90 L HN 0.624 nan 8.230 nan 0.000 0.484 91 S N -3.274 112.518 115.700 0.152 0.000 2.651 91 S HA 0.458 4.841 4.470 -0.145 0.000 0.279 91 S C -0.823 173.897 174.600 0.199 0.000 1.148 91 S CA -1.072 57.245 58.200 0.195 0.000 0.837 91 S CB 1.965 65.306 63.200 0.237 0.000 1.138 91 S HN -0.105 nan 8.310 nan 0.000 0.478 92 D N 0.593 121.132 120.400 0.231 0.000 2.362 92 D HA 0.286 4.839 4.640 -0.145 0.000 0.238 92 D C -0.113 176.271 176.300 0.139 0.000 1.212 92 D CA 0.006 54.094 54.000 0.147 0.000 0.902 92 D CB 0.536 41.374 40.800 0.064 0.000 1.180 92 D HN 0.385 nan 8.370 nan 0.000 0.445 93 V N 1.586 121.503 119.914 0.004 0.000 2.465 93 V HA 0.159 4.192 4.120 -0.145 0.000 0.279 93 V C -0.489 175.573 176.094 -0.053 0.000 1.045 93 V CA -0.281 62.032 62.300 0.023 0.000 0.938 93 V CB 0.236 32.041 31.823 -0.030 0.000 0.986 93 V HN 0.336 nan 8.190 nan 0.000 0.467 94 Y N 4.711 125.116 120.300 0.175 0.000 2.409 94 Y HA 0.698 5.161 4.550 -0.145 0.000 0.339 94 Y C 0.008 176.184 175.900 0.460 0.000 1.033 94 Y CA -0.695 57.577 58.100 0.287 0.000 1.094 94 Y CB 1.798 40.394 38.460 0.226 0.000 1.210 94 Y HN 0.392 nan 8.280 nan 0.000 0.456 95 L N 3.537 125.112 121.223 0.587 0.000 2.362 95 L HA 0.689 4.941 4.340 -0.145 0.000 0.271 95 L C -0.673 176.315 176.870 0.197 0.000 1.002 95 L CA -0.945 54.134 54.840 0.398 0.000 0.818 95 L CB 2.485 44.632 42.059 0.145 0.000 1.298 95 L HN 0.546 nan 8.230 nan 0.000 0.420 96 R N 2.064 122.447 120.500 -0.194 0.000 2.574 96 R HA 0.500 4.753 4.340 -0.145 0.000 0.288 96 R C -1.233 174.854 176.300 -0.355 0.000 1.004 96 R CA -0.451 55.316 56.100 -0.554 0.000 0.895 96 R CB 2.413 31.812 30.300 -1.501 0.000 1.191 96 R HN 0.640 nan 8.270 nan 0.000 0.444 101 D N -1.352 118.881 120.400 -0.278 0.000 5.589 101 D HA -0.086 4.466 4.640 -0.145 0.000 0.228 101 D C -0.712 175.505 176.300 -0.138 0.000 1.675 101 D CA 0.486 54.386 54.000 -0.167 0.000 1.397 101 D CB -0.723 40.048 40.800 -0.049 0.000 0.554 101 D HN 0.589 nan 8.370 nan 0.000 0.288 102 W N 2.571 123.890 121.300 0.032 0.000 2.223 102 W HA 0.298 4.868 4.660 -0.150 0.000 0.334 102 W C 1.247 177.880 176.519 0.191 0.000 1.334 102 W CA 0.035 57.444 57.345 0.108 0.000 1.246 102 W CB 0.481 29.979 29.460 0.064 0.000 1.184 102 W HN 0.165 nan 8.180 nan 0.000 0.563 103 Q N 2.204 122.284 119.800 0.468 0.000 2.394 103 Q HA 0.448 4.701 4.340 -0.145 0.000 0.273 103 Q C -1.242 174.867 176.000 0.181 0.000 1.089 103 Q CA -1.009 54.967 55.803 0.288 0.000 0.812 103 Q CB 2.596 31.414 28.738 0.132 0.000 1.353 103 Q HN 0.501 nan 8.270 nan 0.000 0.438 104 C N 3.539 122.824 119.300 -0.026 0.000 2.317 104 C HA 0.556 4.929 4.460 -0.145 0.000 0.306 104 C C -2.326 172.597 174.990 -0.111 0.000 1.087 104 C CA -1.641 57.187 59.018 -0.318 0.000 1.529 104 C CB -0.663 26.690 27.740 -0.645 0.000 1.880 104 C HN 0.590 nan 8.230 nan 0.000 0.417 105 P HA 0.317 nan 4.420 nan 0.000 0.276 105 P C -0.196 177.100 177.300 -0.006 0.000 1.244 105 P CA -0.052 63.036 63.100 -0.020 0.000 0.801 105 P CB 0.660 32.349 31.700 -0.020 0.000 1.006 106 D N 0.078 120.493 120.400 0.025 0.000 2.335 106 D HA -0.068 4.485 4.640 -0.145 0.000 0.236 106 D C 1.075 177.434 176.300 0.099 0.000 1.297 106 D CA -0.108 53.933 54.000 0.070 0.000 0.906 106 D CB 0.117 40.964 40.800 0.079 0.000 1.164 106 D HN 0.280 nan 8.370 nan 0.000 0.469 107 F N 0.951 120.900 119.950 -0.000 0.000 2.043 107 F HA -0.242 4.205 4.527 -0.133 0.000 0.297 107 F C 2.121 177.940 175.800 0.030 0.000 1.121 107 F CA 1.882 59.884 58.000 0.003 0.000 1.199 107 F CB -0.115 38.883 39.000 -0.004 0.000 0.968 107 F HN 0.391 nan 8.300 nan 0.000 0.478 108 E N 0.424 120.637 120.200 0.022 0.000 2.038 108 E HA -0.217 4.046 4.350 -0.145 0.000 0.195 108 E C -0.316 176.282 176.600 -0.003 0.000 1.000 108 E CA 1.775 58.162 56.400 -0.022 0.000 0.803 108 E CB -1.659 28.116 29.700 0.126 0.000 0.750 108 E HN 0.403 nan 8.360 nan 0.000 0.448 109 P HA -0.146 nan 4.420 nan 0.000 0.218 109 P C 1.720 178.980 177.300 -0.067 0.000 1.149 109 P CA 0.875 63.958 63.100 -0.028 0.000 0.817 109 P CB 0.007 31.698 31.700 -0.014 0.000 0.785 110 L N 0.389 121.558 121.223 -0.089 0.000 1.970 110 L HA -0.139 4.114 4.340 -0.145 0.000 0.212 110 L C 2.503 179.289 176.870 -0.141 0.000 1.071 110 L CA 1.844 56.621 54.840 -0.104 0.000 0.751 110 L CB -1.407 40.593 42.059 -0.098 0.000 0.889 110 L HN -0.237 nan 8.230 nan 0.000 0.432 111 V N 0.294 120.063 119.914 -0.243 0.000 2.324 111 V HA -0.367 3.666 4.120 -0.145 0.000 0.250 111 V C 2.810 178.877 176.094 -0.046 0.000 1.060 111 V CA 1.862 64.032 62.300 -0.215 0.000 1.042 111 V CB -1.462 30.089 31.823 -0.453 0.000 0.650 111 V HN 0.658 nan 8.190 nan 0.000 0.450 112 A N -0.468 122.345 122.820 -0.012 0.000 1.933 112 A HA -0.227 4.006 4.320 -0.145 0.000 0.218 112 A C 2.380 179.860 177.584 -0.172 0.000 1.175 112 A CA 1.907 53.835 52.037 -0.182 0.000 0.628 112 A CB -0.437 18.384 19.000 -0.299 0.000 0.814 112 A HN 0.544 nan 8.150 nan 0.000 0.444 113 R N -0.815 119.611 120.500 -0.124 0.000 2.100 113 R HA 0.168 4.421 4.340 -0.145 0.000 0.220 113 R C 1.994 178.228 176.300 -0.110 0.000 1.091 113 R CA 0.873 56.905 56.100 -0.113 0.000 0.986 113 R CB -0.315 29.932 30.300 -0.088 0.000 0.888 113 R HN 0.489 nan 8.270 nan 0.000 0.444 114 L N 0.330 121.491 121.223 -0.103 0.000 2.027 114 L HA -0.168 4.085 4.340 -0.145 0.000 0.206 114 L C 2.310 179.104 176.870 -0.126 0.000 1.074 114 L CA 0.740 55.516 54.840 -0.106 0.000 0.745 114 L CB -0.460 41.542 42.059 -0.094 0.000 0.898 114 L HN 0.162 nan 8.230 nan 0.000 0.433 115 L N 0.490 121.650 121.223 -0.104 0.000 2.042 115 L HA -0.173 4.080 4.340 -0.145 0.000 0.210 115 L C 2.687 179.481 176.870 -0.128 0.000 1.076 115 L CA 2.013 56.792 54.840 -0.101 0.000 0.749 115 L CB -0.741 41.298 42.059 -0.033 0.000 0.893 115 L HN 0.172 nan 8.230 nan 0.000 0.432 116 A N -0.774 121.968 122.820 -0.129 0.000 1.940 116 A HA -0.153 4.079 4.320 -0.145 0.000 0.219 116 A C 2.437 179.963 177.584 -0.096 0.000 1.176 116 A CA 1.863 53.834 52.037 -0.111 0.000 0.631 116 A CB -1.085 17.846 19.000 -0.114 0.000 0.814 116 A HN 0.556 nan 8.150 nan 0.000 0.446 117 A N -1.008 121.731 122.820 -0.136 0.000 1.898 117 A HA -0.142 4.091 4.320 -0.145 0.000 0.216 117 A C 2.302 179.759 177.584 -0.211 0.000 1.181 117 A CA 1.642 53.581 52.037 -0.163 0.000 0.620 117 A CB -1.209 17.680 19.000 -0.185 0.000 0.819 117 A HN 0.616 nan 8.150 nan 0.000 0.442 118 C N -0.453 118.652 119.300 -0.325 0.000 2.446 118 C HA -0.072 4.300 4.460 -0.145 0.000 0.277 118 C C 2.569 177.366 174.990 -0.321 0.000 1.275 118 C CA 1.038 59.696 59.018 -0.600 0.000 1.727 118 C CB -1.350 25.973 27.740 -0.695 0.000 2.010 118 C HN 0.677 nan 8.230 nan 0.000 0.486 119 E N -0.316 119.787 120.200 -0.163 0.000 2.153 119 E HA -0.264 3.999 4.350 -0.145 0.000 0.194 119 E C 1.775 178.353 176.600 -0.038 0.000 0.988 119 E CA 1.429 57.785 56.400 -0.073 0.000 0.811 119 E CB -0.276 29.387 29.700 -0.062 0.000 0.746 119 E HN 0.800 nan 8.360 nan 0.000 0.466 120 H N 0.408 119.408 119.070 -0.117 0.000 2.333 120 H HA -0.017 4.437 4.556 -0.169 0.000 0.302 120 H C 2.025 177.318 175.328 -0.057 0.000 1.075 120 H CA 1.409 57.405 56.048 -0.087 0.000 1.348 120 H CB 0.105 29.804 29.762 -0.106 0.000 1.393 120 H HN 0.021 nan 8.280 nan 0.000 0.509 121 I N 0.491 121.132 120.570 0.118 0.000 2.127 121 I HA -0.285 3.798 4.170 -0.145 0.000 0.241 121 I C 2.719 178.913 176.117 0.129 0.000 1.075 121 I CA 1.212 62.598 61.300 0.143 0.000 1.334 121 I CB -0.466 37.624 38.000 0.151 0.000 1.040 121 I HN 0.418 nan 8.210 nan 0.000 0.405 122 A N 0.256 123.141 122.820 0.109 0.000 2.019 122 A HA -0.027 4.206 4.320 -0.145 0.000 0.219 122 A C 2.059 179.664 177.584 0.035 0.000 1.164 122 A CA 1.454 53.563 52.037 0.120 0.000 0.644 122 A CB -1.079 17.998 19.000 0.129 0.000 0.805 122 A HN 0.698 nan 8.150 nan 0.000 0.449 123 G N -1.810 106.972 108.800 -0.030 0.000 2.143 123 G HA2 -0.254 3.619 3.960 -0.145 0.000 0.248 123 G HA3 -0.254 3.619 3.960 -0.145 0.000 0.248 123 G C 0.148 175.015 174.900 -0.055 0.000 0.991 123 G CA 0.483 45.535 45.100 -0.080 0.000 0.689 123 G HN 0.748 nan 8.290 nan 0.000 0.522 124 R N -0.656 119.824 120.500 -0.033 0.000 2.535 124 R HA 0.452 4.705 4.340 -0.145 0.000 0.274 124 R C -0.436 175.853 176.300 -0.019 0.000 1.090 124 R CA -0.915 55.173 56.100 -0.020 0.000 0.930 124 R CB 1.590 31.891 30.300 0.001 0.000 1.223 124 R HN 0.163 nan 8.270 nan 0.000 0.441 125 K N 1.366 121.753 120.400 -0.022 0.000 2.098 125 K HA 0.306 4.539 4.320 -0.145 0.000 0.261 125 K C -0.248 176.348 176.600 -0.006 0.000 0.987 125 K CA -0.762 55.511 56.287 -0.024 0.000 0.916 125 K CB 0.892 33.371 32.500 -0.034 0.000 1.039 125 K HN 0.306 nan 8.250 nan 0.000 0.455 126 N N 2.873 121.573 118.700 0.001 0.000 2.690 126 N HA 0.157 4.810 4.740 -0.145 0.000 0.255 126 N C -2.221 173.315 175.510 0.043 0.000 1.195 126 N CA -1.859 51.204 53.050 0.022 0.000 0.790 126 N CB 1.154 39.657 38.487 0.027 0.000 1.216 126 N HN 0.272 nan 8.380 nan 0.000 0.528 127 P HA -0.072 nan 4.420 nan 0.000 0.221 127 P C 0.922 178.290 177.300 0.113 0.000 1.150 127 P CA 0.891 64.041 63.100 0.083 0.000 0.800 127 P CB 0.852 32.582 31.700 0.050 0.000 0.787 128 E N -0.510 119.732 120.200 0.071 0.000 2.077 128 E HA -0.162 4.101 4.350 -0.145 0.000 0.193 128 E C 1.967 178.600 176.600 0.056 0.000 0.989 128 E CA 0.696 57.130 56.400 0.058 0.000 0.800 128 E CB -0.472 29.253 29.700 0.042 0.000 0.746 128 E HN 0.066 nan 8.360 nan 0.000 0.452 129 L N 0.410 121.669 121.223 0.060 0.000 2.046 129 L HA -0.208 4.045 4.340 -0.145 0.000 0.208 129 L C 2.194 179.100 176.870 0.061 0.000 1.077 129 L CA 1.713 56.582 54.840 0.049 0.000 0.747 129 L CB -0.771 41.310 42.059 0.036 0.000 0.896 129 L HN 0.186 nan 8.230 nan 0.000 0.432 130 Y N 0.501 120.789 120.300 -0.020 0.000 2.128 130 Y HA -0.246 4.210 4.550 -0.156 0.000 0.284 130 Y C 2.423 178.318 175.900 -0.008 0.000 1.154 130 Y CA 2.088 60.171 58.100 -0.029 0.000 1.149 130 Y CB -0.196 38.241 38.460 -0.038 0.000 0.976 130 Y HN 0.273 nan 8.280 nan 0.000 0.505 131 E N 0.362 120.522 120.200 -0.065 0.000 2.160 131 E HA -0.251 4.012 4.350 -0.145 0.000 0.195 131 E C 2.091 178.621 176.600 -0.115 0.000 0.991 131 E CA 1.671 58.002 56.400 -0.115 0.000 0.810 131 E CB -0.315 29.389 29.700 0.007 0.000 0.742 131 E HN 0.708 nan 8.360 nan 0.000 0.466 132 Q N -0.152 119.610 119.800 -0.064 0.000 2.187 132 Q HA 0.034 4.287 4.340 -0.145 0.000 0.199 132 Q C 2.376 178.355 176.000 -0.036 0.000 0.957 132 Q CA 0.481 56.262 55.803 -0.036 0.000 0.857 132 Q CB 0.026 28.765 28.738 0.001 0.000 0.929 132 Q HN 0.269 nan 8.270 nan 0.000 0.453 133 I N 0.635 121.165 120.570 -0.068 0.000 2.208 133 I HA -0.316 3.767 4.170 -0.145 0.000 0.245 133 I C 1.982 178.093 176.117 -0.010 0.000 1.097 133 I CA 1.265 62.541 61.300 -0.039 0.000 1.363 133 I CB -0.198 37.753 38.000 -0.081 0.000 1.051 133 I HN 0.229 nan 8.210 nan 0.000 0.413 134 L N -0.149 120.996 121.223 -0.130 0.000 2.179 134 L HA -0.169 4.084 4.340 -0.145 0.000 0.208 134 L C 2.626 179.494 176.870 -0.002 0.000 1.096 134 L CA 1.020 55.836 54.840 -0.041 0.000 0.779 134 L CB -0.649 41.292 42.059 -0.196 0.000 0.922 134 L HN 0.373 nan 8.230 nan 0.000 0.443 135 Q N -0.165 119.615 119.800 -0.034 0.000 2.119 135 Q HA -0.209 4.044 4.340 -0.145 0.000 0.201 135 Q C 2.328 178.327 176.000 -0.000 0.000 0.972 135 Q CA 1.833 57.624 55.803 -0.020 0.000 0.847 135 Q CB 0.053 28.769 28.738 -0.038 0.000 0.903 135 Q HN 0.354 nan 8.270 nan 0.000 0.433 136 S N -0.108 115.601 115.700 0.017 0.000 2.368 136 S HA -0.185 4.198 4.470 -0.145 0.000 0.224 136 S C 1.949 176.587 174.600 0.064 0.000 1.029 136 S CA 1.292 59.519 58.200 0.044 0.000 0.988 136 S CB -0.229 63.014 63.200 0.071 0.000 0.838 136 S HN 0.505 nan 8.310 nan 0.000 0.462 137 Q N 1.216 121.058 119.800 0.070 0.000 2.020 137 Q HA -0.109 4.144 4.340 -0.145 0.000 0.202 137 Q C 2.234 178.225 176.000 -0.015 0.000 0.982 137 Q CA 1.441 57.255 55.803 0.017 0.000 0.838 137 Q CB -0.411 28.316 28.738 -0.018 0.000 0.899 137 Q HN 0.574 nan 8.270 nan 0.000 0.423 138 R N 0.102 120.602 120.500 0.000 0.000 2.127 138 R HA -0.160 4.093 4.340 -0.145 0.000 0.238 138 R C 2.412 178.729 176.300 0.028 0.000 1.134 138 R CA 1.172 57.274 56.100 0.003 0.000 0.975 138 R CB -0.353 29.953 30.300 0.010 0.000 0.865 138 R HN 0.226 nan 8.270 nan 0.000 0.447 139 L N 0.519 121.768 121.223 0.043 0.000 2.044 139 L HA -0.089 4.164 4.340 -0.145 0.000 0.205 139 L C 2.096 179.029 176.870 0.105 0.000 1.075 139 L CA 1.422 56.309 54.840 0.079 0.000 0.747 139 L CB -0.309 41.793 42.059 0.070 0.000 0.903 139 L HN -0.141 nan 8.230 nan 0.000 0.435 140 V N -1.006 118.959 119.914 0.084 0.000 2.392 140 V HA -0.298 3.735 4.120 -0.145 0.000 0.249 140 V C 2.775 178.894 176.094 0.042 0.000 1.059 140 V CA 1.753 64.104 62.300 0.084 0.000 1.051 140 V CB -0.882 31.035 31.823 0.156 0.000 0.658 140 V HN 0.614 nan 8.190 nan 0.000 0.455 141 S N -0.031 115.683 115.700 0.023 0.000 2.353 141 S HA -0.257 4.125 4.470 -0.145 0.000 0.222 141 S C 2.198 176.808 174.600 0.017 0.000 1.035 141 S CA 1.869 60.067 58.200 -0.003 0.000 1.025 141 S CB -0.429 62.758 63.200 -0.020 0.000 0.902 141 S HN 0.647 nan 8.310 nan 0.000 0.440 142 A N 1.192 124.058 122.820 0.078 0.000 1.940 142 A HA -0.059 4.174 4.320 -0.145 0.000 0.219 142 A C 2.138 179.811 177.584 0.148 0.000 1.176 142 A CA 1.698 53.839 52.037 0.172 0.000 0.631 142 A CB -0.822 18.339 19.000 0.269 0.000 0.814 142 A HN 0.650 nan 8.150 nan 0.000 0.446 143 I N -0.616 119.980 120.570 0.044 0.000 2.179 143 I HA -0.200 3.883 4.170 -0.145 0.000 0.242 143 I C 2.252 178.166 176.117 -0.339 0.000 1.088 143 I CA 1.166 62.326 61.300 -0.233 0.000 1.357 143 I CB -0.323 37.601 38.000 -0.125 0.000 1.051 143 I HN 0.145 nan 8.210 nan 0.000 0.409 144 V N -0.141 119.613 119.914 -0.267 0.000 2.626 144 V HA -0.234 3.799 4.120 -0.145 0.000 0.252 144 V C 2.501 178.436 176.094 -0.265 0.000 1.067 144 V CA 1.996 64.090 62.300 -0.344 0.000 1.081 144 V CB -0.307 31.414 31.823 -0.170 0.000 0.686 144 V HN 0.458 nan 8.190 nan 0.000 0.468 145 S N -1.018 114.591 115.700 -0.152 0.000 2.461 145 S HA -0.189 4.194 4.470 -0.145 0.000 0.228 145 S C 1.973 176.514 174.600 -0.099 0.000 1.005 145 S CA 1.374 59.519 58.200 -0.091 0.000 0.942 145 S CB -0.252 62.940 63.200 -0.013 0.000 0.776 145 S HN 0.812 nan 8.310 nan 0.000 0.514 146 H N 1.591 120.498 119.070 -0.270 0.000 2.384 146 H HA 0.290 4.759 4.556 -0.145 0.000 0.300 146 H C 1.547 176.677 175.328 -0.329 0.000 1.057 146 H CA 1.731 57.597 56.048 -0.304 0.000 1.370 146 H CB 0.010 29.411 29.762 -0.601 0.000 1.417 146 H HN 0.374 nan 8.280 nan 0.000 0.527 147 N N -0.352 118.039 118.700 -0.516 0.000 2.205 147 N HA 0.054 4.707 4.740 -0.145 0.000 0.201 147 N C 1.454 176.666 175.510 -0.496 0.000 1.128 147 N CA 0.645 53.343 53.050 -0.586 0.000 0.867 147 N CB 0.689 38.632 38.487 -0.907 0.000 0.996 147 N HN 0.370 nan 8.380 nan 0.000 0.503 148 G N 0.674 109.230 108.800 -0.406 0.000 2.653 148 G HA2 -0.164 3.709 3.960 -0.145 0.000 0.212 148 G HA3 -0.164 3.709 3.960 -0.145 0.000 0.212 148 G C 1.468 176.251 174.900 -0.196 0.000 1.138 148 G CA 0.160 45.085 45.100 -0.292 0.000 0.782 148 G HN 0.227 nan 8.290 nan 0.000 0.535 149 R N -0.864 119.520 120.500 -0.193 0.000 2.404 149 R HA 0.142 4.395 4.340 -0.145 0.000 0.237 149 R C 0.539 176.774 176.300 -0.108 0.000 0.907 149 R CA -0.207 55.814 56.100 -0.131 0.000 1.063 149 R CB 0.429 30.658 30.300 -0.119 0.000 1.134 149 R HN 0.428 nan 8.270 nan 0.000 0.529 150 Q N 1.193 120.918 119.800 -0.125 0.000 2.454 150 Q HA 0.071 4.324 4.340 -0.145 0.000 0.247 150 Q C 0.041 176.021 176.000 -0.034 0.000 1.028 150 Q CA 0.066 55.830 55.803 -0.066 0.000 0.910 150 Q CB 0.753 29.468 28.738 -0.039 0.000 1.276 150 Q HN 0.009 nan 8.270 nan 0.000 0.489 151 R N 0.303 120.802 120.500 -0.003 0.000 2.640 151 R HA -0.012 4.241 4.340 -0.145 0.000 0.270 151 R C 0.671 176.997 176.300 0.043 0.000 1.024 151 R CA 0.481 56.590 56.100 0.015 0.000 1.085 151 R CB 0.364 30.680 30.300 0.026 0.000 0.963 151 R HN 0.854 nan 8.270 nan 0.000 0.426 152 A N 3.221 126.069 122.820 0.046 0.000 1.972 152 A HA -0.187 4.046 4.320 -0.145 0.000 0.219 152 A C 1.144 178.805 177.584 0.128 0.000 1.169 152 A CA 1.828 53.913 52.037 0.081 0.000 0.635 152 A CB -0.271 18.769 19.000 0.067 0.000 0.810 152 A HN 0.898 nan 8.150 nan 0.000 0.446 153 D N -1.009 119.453 120.400 0.105 0.000 2.342 153 D HA 0.405 4.958 4.640 -0.145 0.000 0.221 153 D C 1.291 177.661 176.300 0.116 0.000 1.101 153 D CA 0.614 54.681 54.000 0.112 0.000 0.837 153 D CB -0.320 40.556 40.800 0.127 0.000 0.938 153 D HN 0.255 nan 8.370 nan 0.000 0.508 154 A N 1.556 124.446 122.820 0.117 0.000 1.927 154 A HA -0.135 4.098 4.320 -0.145 0.000 0.220 154 A C -0.029 177.604 177.584 0.082 0.000 1.185 154 A CA 1.290 53.392 52.037 0.108 0.000 0.639 154 A CB -1.610 17.454 19.000 0.108 0.000 0.820 154 A HN 0.286 nan 8.150 nan 0.000 0.451 155 P HA -0.119 nan 4.420 nan 0.000 0.222 155 P C 0.855 178.099 177.300 -0.094 0.000 1.142 155 P CA 0.869 63.913 63.100 -0.094 0.000 0.788 155 P CB -0.080 31.482 31.700 -0.229 0.000 0.767 156 L N -1.538 119.661 121.223 -0.041 0.000 2.607 156 L HA 0.096 4.349 4.340 -0.145 0.000 0.228 156 L C 1.768 178.728 176.870 0.150 0.000 1.123 156 L CA 0.266 55.055 54.840 -0.084 0.000 0.890 156 L CB -0.425 41.429 42.059 -0.341 0.000 1.103 156 L HN -0.052 nan 8.230 nan 0.000 0.468 157 Q N -0.648 119.270 119.800 0.197 0.000 2.389 157 Q HA 0.080 4.333 4.340 -0.145 0.000 0.204 157 Q C 0.055 176.234 176.000 0.298 0.000 0.944 157 Q CA 0.695 56.666 55.803 0.279 0.000 0.908 157 Q CB 0.274 29.139 28.738 0.212 0.000 1.002 157 Q HN 0.513 nan 8.270 nan 0.000 0.493 158 H N -2.477 116.656 119.070 0.105 0.000 3.042 158 H HA 0.094 4.562 4.556 -0.145 0.000 0.346 158 H C -0.367 174.983 175.328 0.037 0.000 1.294 158 H CA -0.613 55.488 56.048 0.088 0.000 1.141 158 H CB 0.686 30.482 29.762 0.057 0.000 1.872 158 H HN -0.120 nan 8.280 nan 0.000 0.541 159 Y N 2.373 122.572 120.300 -0.169 0.000 2.133 159 Y HA -0.133 4.330 4.550 -0.145 0.000 0.287 159 Y C 1.776 177.597 175.900 -0.131 0.000 1.134 159 Y CA 1.962 59.981 58.100 -0.134 0.000 1.133 159 Y CB -0.059 38.260 38.460 -0.235 0.000 0.987 159 Y HN 0.572 nan 8.280 nan 0.000 0.502 160 L N 0.813 121.925 121.223 -0.185 0.000 2.187 160 L HA -0.217 4.036 4.340 -0.145 0.000 0.213 160 L C 1.931 178.644 176.870 -0.262 0.000 1.100 160 L CA 1.703 56.331 54.840 -0.353 0.000 0.765 160 L CB -0.678 41.331 42.059 -0.083 0.000 0.904 160 L HN 0.296 nan 8.230 nan 0.000 0.437 161 Q N -1.026 118.697 119.800 -0.128 0.000 2.137 161 Q HA -0.089 4.163 4.340 -0.145 0.000 0.198 161 Q C 2.535 178.374 176.000 -0.270 0.000 0.960 161 Q CA 1.514 57.230 55.803 -0.144 0.000 0.847 161 Q CB -0.326 28.397 28.738 -0.026 0.000 0.915 161 Q HN 0.734 nan 8.270 nan 0.000 0.448 162 S N 0.170 115.689 115.700 -0.301 0.000 2.382 162 S HA -0.155 4.228 4.470 -0.145 0.000 0.228 162 S C 1.652 176.004 174.600 -0.415 0.000 1.027 162 S CA 1.010 59.005 58.200 -0.341 0.000 0.991 162 S CB -0.192 62.845 63.200 -0.272 0.000 0.823 162 S HN 0.220 nan 8.310 nan 0.000 0.469 163 E N 1.572 121.469 120.200 -0.505 0.000 2.072 163 E HA -0.090 4.173 4.350 -0.145 0.000 0.191 163 E C 2.379 178.781 176.600 -0.330 0.000 0.985 163 E CA 1.156 57.310 56.400 -0.411 0.000 0.801 163 E CB -0.412 29.014 29.700 -0.457 0.000 0.750 163 E HN 0.750 nan 8.360 nan 0.000 0.452 164 Q N -0.373 119.228 119.800 -0.331 0.000 2.172 164 Q HA -0.026 4.227 4.340 -0.145 0.000 0.200 164 Q C 1.879 177.525 176.000 -0.591 0.000 0.964 164 Q CA 1.148 56.772 55.803 -0.299 0.000 0.855 164 Q CB -0.043 28.588 28.738 -0.178 0.000 0.918 164 Q HN 0.194 nan 8.270 nan 0.000 0.444 165 G N 0.313 108.629 108.800 -0.807 0.000 3.181 165 G HA2 0.042 3.915 3.960 -0.145 0.000 0.219 165 G HA3 0.042 3.915 3.960 -0.145 0.000 0.219 165 G C 0.264 174.239 174.900 -1.542 0.000 1.182 165 G CA -0.247 43.906 45.100 -1.578 0.000 0.791 165 G HN 0.115 nan 8.290 nan 0.000 0.537 166 L N 1.171 121.885 121.223 -0.848 0.000 2.480 166 L HA 0.393 4.646 4.340 -0.145 0.000 0.243 166 L C 1.115 177.747 176.870 -0.397 0.000 1.315 166 L CA -1.009 53.526 54.840 -0.508 0.000 1.231 166 L CB -0.736 41.161 42.059 -0.270 0.000 1.444 166 L HN 0.391 nan 8.230 nan 0.000 0.409 167 W N 0.736 121.831 121.300 -0.340 0.000 2.325 167 W HA -0.254 4.317 4.660 -0.147 0.000 0.299 167 W C 1.270 177.484 176.519 -0.508 0.000 1.215 167 W CA 0.694 57.689 57.345 -0.584 0.000 1.244 167 W CB -0.451 28.320 29.460 -1.148 0.000 1.140 167 W HN 0.380 nan 8.180 nan 0.000 0.523 168 F N -0.764 119.315 119.950 0.215 0.000 2.720 168 F HA 0.470 4.909 4.527 -0.146 0.000 0.301 168 F C 1.640 177.508 175.800 0.113 0.000 1.103 168 F CA 0.273 58.364 58.000 0.152 0.000 1.291 168 F CB -0.505 38.585 39.000 0.150 0.000 1.086 168 F HN -0.021 nan 8.300 nan 0.000 0.592 169 G N 0.161 109.079 108.800 0.197 0.000 2.584 169 G HA2 -0.282 3.591 3.960 -0.145 0.000 0.229 169 G HA3 -0.282 3.591 3.960 -0.145 0.000 0.229 169 G C -0.621 174.388 174.900 0.181 0.000 1.320 169 G CA -0.406 44.771 45.100 0.128 0.000 0.891 169 G HN 0.440 nan 8.290 nan 0.000 0.573 170 H N 3.712 122.806 119.070 0.041 0.000 3.184 170 H HA 0.248 4.721 4.556 -0.137 0.000 0.274 170 H C -0.524 174.874 175.328 0.117 0.000 0.962 170 H CA -0.805 55.271 56.048 0.045 0.000 1.441 170 H CB 0.967 30.729 29.762 -0.002 0.000 1.518 170 H HN 0.266 nan 8.280 nan 0.000 0.539 171 P HA -0.038 nan 4.420 nan 0.000 0.230 171 P C -0.136 177.331 177.300 0.278 0.000 1.158 171 P CA 0.471 63.764 63.100 0.323 0.000 0.769 171 P CB 0.619 32.460 31.700 0.236 0.000 0.807 172 S N -0.293 115.582 115.700 0.293 0.000 2.272 172 S HA 0.203 4.586 4.470 -0.145 0.000 0.207 172 S C -0.394 174.086 174.600 -0.200 0.000 1.336 172 S CA -0.413 57.837 58.200 0.083 0.000 1.259 172 S CB -0.295 63.006 63.200 0.168 0.000 1.130 172 S HN 0.221 nan 8.310 nan 0.000 0.444 173 H N 1.976 120.882 119.070 -0.274 0.000 2.771 173 H HA 0.293 4.773 4.556 -0.127 0.000 0.361 173 H C -2.461 172.826 175.328 -0.068 0.000 1.108 173 H CA -1.711 54.182 56.048 -0.258 0.000 1.201 173 H CB 2.648 32.196 29.762 -0.357 0.000 1.681 173 H HN 0.014 nan 8.280 nan 0.000 0.534 174 P HA -0.024 nan 4.420 nan 0.000 0.218 174 P C 0.082 177.413 177.300 0.051 0.000 1.149 174 P CA 0.747 63.790 63.100 -0.096 0.000 0.817 174 P CB 0.567 32.173 31.700 -0.157 0.000 0.785 175 A N -0.006 122.920 122.820 0.177 0.000 3.258 175 A HA 0.422 4.654 4.320 -0.145 0.000 0.318 175 A C -1.815 175.914 177.584 0.242 0.000 0.990 175 A CA -1.052 51.103 52.037 0.197 0.000 0.885 175 A CB 0.406 19.474 19.000 0.114 0.000 1.090 175 A HN 0.014 nan 8.150 nan 0.000 0.479 176 P HA -0.082 nan 4.420 nan 0.000 0.221 176 P C 0.559 177.875 177.300 0.026 0.000 1.150 176 P CA 1.174 64.329 63.100 0.091 0.000 0.800 176 P CB 0.305 32.097 31.700 0.153 0.000 0.787 177 K N -0.304 120.128 120.400 0.053 0.000 2.493 177 K HA 0.347 4.580 4.320 -0.145 0.000 0.207 177 K C 0.480 177.063 176.600 -0.029 0.000 1.033 177 K CA -0.357 55.944 56.287 0.023 0.000 1.161 177 K CB 0.498 33.038 32.500 0.065 0.000 0.873 177 K HN 0.011 nan 8.250 nan 0.000 0.491 178 A N 1.725 124.520 122.820 -0.042 0.000 2.279 178 A HA 0.394 4.627 4.320 -0.145 0.000 0.306 178 A C -0.327 177.147 177.584 -0.183 0.000 1.300 178 A CA -0.387 51.593 52.037 -0.095 0.000 0.925 178 A CB 0.116 19.091 19.000 -0.042 0.000 1.152 178 A HN 0.180 nan 8.150 nan 0.000 0.544 179 R N 2.773 123.065 120.500 -0.346 0.000 2.371 179 R HA 0.374 4.627 4.340 -0.145 0.000 0.312 179 R C -1.116 174.700 176.300 -0.807 0.000 0.980 179 R CA -0.260 55.478 56.100 -0.603 0.000 0.867 179 R CB 1.263 31.022 30.300 -0.901 0.000 1.163 179 R HN 0.696 nan 8.270 nan 0.000 0.492 180 L N 4.472 125.432 121.223 -0.437 0.000 2.512 180 L HA 0.377 4.629 4.340 -0.145 0.000 0.247 180 L C -0.724 176.096 176.870 -0.083 0.000 1.204 180 L CA -0.604 54.087 54.840 -0.249 0.000 1.153 180 L CB -0.591 41.411 42.059 -0.096 0.000 1.415 180 L HN 0.505 nan 8.230 nan 0.000 0.406 181 W N 1.437 122.740 121.300 0.005 0.000 2.820 181 W HA 0.729 5.305 4.660 -0.139 0.000 0.350 181 W C -2.749 173.781 176.519 0.018 0.000 1.116 181 W CA -3.497 53.843 57.345 -0.009 0.000 1.146 181 W CB -0.900 28.521 29.460 -0.065 0.000 1.433 181 W HN -0.107 nan 8.180 nan 0.000 0.561 182 P HA 0.148 nan 4.420 nan 0.000 0.262 182 P C 0.729 178.201 177.300 0.288 0.000 1.182 182 P CA 0.576 63.844 63.100 0.281 0.000 0.761 182 P CB 0.813 32.693 31.700 0.300 0.000 0.795 183 A N 3.650 126.626 122.820 0.260 0.000 2.019 183 A HA -0.209 4.024 4.320 -0.145 0.000 0.219 183 A C 1.776 179.489 177.584 0.216 0.000 1.164 183 A CA 1.386 53.557 52.037 0.224 0.000 0.644 183 A CB -1.276 17.819 19.000 0.158 0.000 0.805 183 A HN 0.792 nan 8.150 nan 0.000 0.449 184 H N -0.631 118.547 119.070 0.180 0.000 2.546 184 H HA 0.115 4.583 4.556 -0.146 0.000 0.277 184 H C 1.437 176.874 175.328 0.181 0.000 1.004 184 H CA 1.033 57.169 56.048 0.147 0.000 1.231 184 H CB -0.504 29.325 29.762 0.113 0.000 1.382 184 H HN 0.469 nan 8.280 nan 0.000 0.580 185 L N 0.393 121.460 121.223 -0.261 0.000 2.418 185 L HA 0.177 4.430 4.340 -0.145 0.000 0.218 185 L C 1.142 178.194 176.870 0.303 0.000 1.125 185 L CA 0.510 55.329 54.840 -0.034 0.000 0.835 185 L CB -0.206 41.759 42.059 -0.157 0.000 0.953 185 L HN 0.584 nan 8.230 nan 0.000 0.454 186 G N -0.361 108.618 108.800 0.298 0.000 2.756 186 G HA2 -0.190 3.683 3.960 -0.145 0.000 0.678 186 G HA3 -0.190 3.683 3.960 -0.145 0.000 0.678 186 G C -0.082 175.079 174.900 0.434 0.000 1.349 186 G CA -0.424 44.812 45.100 0.228 0.000 0.847 186 G HN 0.030 nan 8.290 nan 0.000 0.548 187 Q N -0.588 119.324 119.800 0.186 0.000 2.477 187 Q HA 0.134 4.387 4.340 -0.145 0.000 0.252 187 Q C 2.451 178.455 176.000 0.007 0.000 0.869 187 Q CA 1.150 57.107 55.803 0.257 0.000 0.969 187 Q CB 0.180 28.978 28.738 0.100 0.000 1.144 187 Q HN 0.826 nan 8.270 nan 0.000 0.577 188 E N 1.057 121.066 120.200 -0.318 0.000 2.110 188 E HA -0.190 4.073 4.350 -0.145 0.000 0.193 188 E C 1.645 177.984 176.600 -0.434 0.000 0.988 188 E CA 0.926 56.963 56.400 -0.605 0.000 0.804 188 E CB 0.153 29.288 29.700 -0.943 0.000 0.745 188 E HN 0.195 nan 8.360 nan 0.000 0.458 189 Q N -0.810 118.611 119.800 -0.631 0.000 2.364 189 Q HA -0.123 4.129 4.340 -0.145 0.000 0.207 189 Q C 0.630 176.153 176.000 -0.796 0.000 0.970 189 Q CA 1.047 56.317 55.803 -0.888 0.000 0.888 189 Q CB -0.135 27.755 28.738 -1.413 0.000 0.951 189 Q HN 0.485 nan 8.270 nan 0.000 0.469 190 W N -0.915 120.441 121.300 0.094 0.000 2.862 190 W HA 0.583 5.155 4.660 -0.147 0.000 0.376 190 W C -0.073 176.526 176.519 0.132 0.000 1.028 190 W CA -0.592 56.818 57.345 0.109 0.000 1.757 190 W CB 0.603 30.153 29.460 0.149 0.000 1.128 190 W HN -0.176 nan 8.180 nan 0.000 0.566 191 A N 1.624 124.582 122.820 0.230 0.000 2.252 191 A HA 0.418 4.651 4.320 -0.145 0.000 0.309 191 A C -1.655 176.044 177.584 0.191 0.000 1.285 191 A CA -1.347 50.838 52.037 0.247 0.000 0.900 191 A CB 0.800 19.988 19.000 0.314 0.000 1.157 191 A HN -0.095 nan 8.150 nan 0.000 0.536 192 P HA -0.158 nan 4.420 nan 0.000 0.218 192 P C 0.698 178.044 177.300 0.078 0.000 1.146 192 P CA 1.333 64.466 63.100 0.055 0.000 0.813 192 P CB 0.323 32.011 31.700 -0.020 0.000 0.778 193 E N -2.212 118.070 120.200 0.135 0.000 2.427 193 E HA -0.011 4.252 4.350 -0.145 0.000 0.196 193 E C 0.677 177.285 176.600 0.013 0.000 1.028 193 E CA 0.634 57.121 56.400 0.144 0.000 0.864 193 E CB -0.567 29.236 29.700 0.172 0.000 0.813 193 E HN 0.318 nan 8.360 nan 0.000 0.514 194 F N 0.308 120.286 119.950 0.047 0.000 2.684 194 F HA 0.164 4.603 4.527 -0.147 0.000 0.298 194 F C 0.007 175.813 175.800 0.011 0.000 1.120 194 F CA -0.374 57.563 58.000 -0.105 0.000 1.332 194 F CB 0.224 39.062 39.000 -0.271 0.000 0.986 194 F HN -0.249 nan 8.300 nan 0.000 0.524 195 Q N -0.298 119.609 119.800 0.178 0.000 2.457 195 Q HA -0.218 4.035 4.340 -0.145 0.000 0.283 195 Q C 0.364 176.440 176.000 0.126 0.000 1.234 195 Q CA 0.720 56.606 55.803 0.138 0.000 0.877 195 Q CB -1.920 26.906 28.738 0.147 0.000 1.250 195 Q HN 0.413 nan 8.270 nan 0.000 0.481 196 A N 0.567 123.463 122.820 0.126 0.000 2.498 196 A HA 0.475 4.708 4.320 -0.145 0.000 0.239 196 A C 0.342 178.001 177.584 0.124 0.000 1.068 196 A CA 0.333 52.426 52.037 0.093 0.000 0.766 196 A CB 0.474 19.515 19.000 0.069 0.000 1.003 196 A HN 0.330 nan 8.150 nan 0.000 0.497 197 R N 0.372 120.945 120.500 0.123 0.000 2.686 197 R HA 0.715 4.968 4.340 -0.145 0.000 0.283 197 R C -0.928 175.486 176.300 0.191 0.000 0.978 197 R CA -0.290 55.916 56.100 0.176 0.000 0.897 197 R CB 2.514 32.881 30.300 0.112 0.000 1.192 197 R HN 1.016 nan 8.270 nan 0.000 0.457 198 A N 1.114 124.107 122.820 0.289 0.000 2.566 198 A HA 0.710 4.943 4.320 -0.145 0.000 0.297 198 A C -1.348 176.261 177.584 0.040 0.000 1.059 198 A CA -0.702 51.469 52.037 0.223 0.000 0.691 198 A CB 1.745 21.032 19.000 0.478 0.000 1.282 198 A HN 0.747 nan 8.150 nan 0.000 0.401 199 A N 1.945 124.744 122.820 -0.036 0.000 2.404 199 A HA 0.566 4.799 4.320 -0.145 0.000 0.273 199 A C 0.218 177.654 177.584 -0.246 0.000 1.144 199 A CA -0.175 51.774 52.037 -0.147 0.000 0.806 199 A CB -0.421 18.505 19.000 -0.124 0.000 1.080 199 A HN 0.914 nan 8.150 nan 0.000 0.509 200 L N 3.169 124.151 121.223 -0.402 0.000 2.514 200 L HA 0.012 4.264 4.340 -0.145 0.000 0.280 200 L C 1.117 177.821 176.870 -0.277 0.000 1.223 200 L CA -0.073 54.480 54.840 -0.478 0.000 0.864 200 L CB 0.168 41.907 42.059 -0.534 0.000 1.118 200 L HN 0.715 nan 8.230 nan 0.000 0.494 201 H N 3.791 122.681 119.070 -0.300 0.000 2.732 201 H HA 0.244 4.713 4.556 -0.145 0.000 0.351 201 H C -0.675 174.461 175.328 -0.320 0.000 1.090 201 H CA 0.193 56.071 56.048 -0.283 0.000 1.431 201 H CB 0.883 30.502 29.762 -0.238 0.000 1.447 201 H HN 0.567 nan 8.280 nan 0.000 0.582 202 Q N 3.045 122.710 119.800 -0.225 0.000 2.451 202 Q HA 0.424 4.677 4.340 -0.145 0.000 0.281 202 Q C -1.222 174.499 176.000 -0.465 0.000 1.099 202 Q CA -0.758 54.908 55.803 -0.229 0.000 0.806 202 Q CB 2.498 31.131 28.738 -0.175 0.000 1.419 202 Q HN 0.417 nan 8.270 nan 0.000 0.427 203 F N 0.106 120.049 119.950 -0.011 0.000 2.565 203 F HA 0.303 4.743 4.527 -0.146 0.000 0.313 203 F C -0.103 175.630 175.800 -0.112 0.000 1.091 203 F CA -0.799 57.178 58.000 -0.038 0.000 0.915 203 F CB 2.009 40.983 39.000 -0.043 0.000 1.208 203 F HN 0.407 nan 8.300 nan 0.000 0.453 204 E N 2.764 123.000 120.200 0.061 0.000 2.167 204 E HA 0.546 4.809 4.350 -0.145 0.000 0.284 204 E C -1.324 175.212 176.600 -0.107 0.000 1.016 204 E CA -0.560 55.820 56.400 -0.035 0.000 0.817 204 E CB 1.217 30.871 29.700 -0.076 0.000 1.080 204 E HN 0.522 nan 8.360 nan 0.000 0.397 205 V N 2.001 121.810 119.914 -0.175 0.000 2.914 205 V HA 0.689 4.722 4.120 -0.145 0.000 0.314 205 V C -2.664 173.387 176.094 -0.072 0.000 1.084 205 V CA -2.677 59.350 62.300 -0.455 0.000 0.963 205 V CB 1.540 32.626 31.823 -1.229 0.000 1.025 205 V HN 0.567 nan 8.190 nan 0.000 0.432 206 P HA 0.210 nan 4.420 nan 0.000 0.278 206 P C 0.972 178.335 177.300 0.105 0.000 1.238 206 P CA 0.038 63.115 63.100 -0.037 0.000 0.794 206 P CB 1.639 33.344 31.700 0.009 0.000 0.955 207 V N -0.228 119.664 119.914 -0.037 0.000 2.970 207 V HA -0.143 3.890 4.120 -0.145 0.000 0.260 207 V C 1.548 177.657 176.094 0.024 0.000 1.100 207 V CA 1.874 64.190 62.300 0.026 0.000 1.122 207 V CB -1.557 30.253 31.823 -0.022 0.000 0.721 207 V HN 0.483 nan 8.190 nan 0.000 0.483 208 D N 1.809 122.211 120.400 0.004 0.000 2.378 208 D HA 0.003 4.556 4.640 -0.145 0.000 0.222 208 D C 1.691 177.922 176.300 -0.116 0.000 0.980 208 D CA 1.312 55.284 54.000 -0.046 0.000 0.907 208 D CB -0.259 40.514 40.800 -0.045 0.000 0.899 208 D HN 0.568 nan 8.370 nan 0.000 0.527 209 G N -0.191 108.556 108.800 -0.089 0.000 3.377 209 G HA2 0.290 4.163 3.960 -0.145 0.000 0.257 209 G HA3 0.290 4.163 3.960 -0.145 0.000 0.257 209 G C 0.399 174.919 174.900 -0.634 0.000 1.038 209 G CA -0.443 44.356 45.100 -0.501 0.000 0.809 209 G HN 0.174 nan 8.290 nan 0.000 0.526 210 L N 1.680 122.780 121.223 -0.206 0.000 2.417 210 L HA 0.366 4.619 4.340 -0.145 0.000 0.268 210 L C -0.110 176.505 176.870 -0.425 0.000 1.158 210 L CA -0.442 54.327 54.840 -0.119 0.000 0.819 210 L CB 0.739 42.836 42.059 0.063 0.000 1.112 210 L HN 0.181 nan 8.230 nan 0.000 0.458 211 H N 4.713 123.808 119.070 0.041 0.000 2.860 211 H HA 0.457 4.927 4.556 -0.145 0.000 0.312 211 H C -0.766 174.597 175.328 0.058 0.000 0.995 211 H CA -0.406 55.664 56.048 0.036 0.000 1.311 211 H CB 1.379 31.159 29.762 0.029 0.000 1.478 211 H HN 0.399 nan 8.280 nan 0.000 0.508 212 I N 1.898 122.552 120.570 0.139 0.000 2.433 212 I HA 0.359 4.442 4.170 -0.145 0.000 0.292 212 I C 0.744 176.933 176.117 0.120 0.000 1.001 212 I CA -0.737 60.636 61.300 0.122 0.000 1.119 212 I CB 2.197 40.255 38.000 0.096 0.000 1.289 212 I HN 0.538 nan 8.210 nan 0.000 0.438 213 G N 4.237 113.111 108.800 0.123 0.000 2.371 213 G HA2 0.795 4.668 3.960 -0.145 0.000 0.326 213 G HA3 0.795 4.668 3.960 -0.145 0.000 0.326 213 G C -1.155 173.803 174.900 0.096 0.000 1.127 213 G CA -0.496 44.670 45.100 0.109 0.000 0.885 213 G HN 0.798 nan 8.290 nan 0.000 0.477 214 A N 2.366 125.235 122.820 0.080 0.000 2.491 214 A HA 0.662 4.895 4.320 -0.145 0.000 0.293 214 A C -0.856 176.766 177.584 0.062 0.000 1.047 214 A CA -0.856 51.219 52.037 0.063 0.000 0.735 214 A CB 1.272 20.305 19.000 0.055 0.000 1.281 214 A HN 0.598 nan 8.150 nan 0.000 0.398 215 N N 1.218 119.955 118.700 0.062 0.000 2.442 215 N HA 0.482 5.135 4.740 -0.145 0.000 0.274 215 N C 0.696 176.241 175.510 0.058 0.000 1.002 215 N CA 0.411 53.499 53.050 0.062 0.000 0.910 215 N CB 1.884 40.415 38.487 0.073 0.000 1.244 215 N HN 1.689 nan 8.380 nan 0.000 0.492 216 G N 1.563 110.393 108.800 0.050 0.000 2.162 216 G HA2 -0.250 3.623 3.960 -0.145 0.000 0.260 216 G HA3 -0.250 3.623 3.960 -0.145 0.000 0.260 216 G C -0.209 174.720 174.900 0.048 0.000 0.976 216 G CA 0.190 45.318 45.100 0.048 0.000 0.655 216 G HN 0.466 nan 8.290 nan 0.000 0.533 217 L N 0.589 121.839 121.223 0.044 0.000 2.388 217 L HA 0.647 4.899 4.340 -0.145 0.000 0.264 217 L C 0.914 177.805 176.870 0.036 0.000 0.998 217 L CA -0.652 54.211 54.840 0.039 0.000 0.817 217 L CB 2.221 44.293 42.059 0.021 0.000 1.338 217 L HN 0.284 nan 8.230 nan 0.000 0.414 218 T N -2.183 112.392 114.554 0.035 0.000 2.868 218 T HA 0.237 4.500 4.350 -0.145 0.000 0.292 218 T C -2.026 172.698 174.700 0.040 0.000 1.028 218 T CA -1.532 60.590 62.100 0.036 0.000 1.059 218 T CB 1.174 70.061 68.868 0.033 0.000 0.991 218 T HN 0.328 nan 8.240 nan 0.000 0.531 219 P HA -0.151 nan 4.420 nan 0.000 0.216 219 P C 1.700 179.035 177.300 0.059 0.000 1.150 219 P CA 1.006 64.140 63.100 0.056 0.000 0.843 219 P CB 0.078 31.809 31.700 0.051 0.000 0.787 220 Q N -0.019 119.810 119.800 0.048 0.000 2.079 220 Q HA -0.179 4.074 4.340 -0.145 0.000 0.200 220 Q C 2.216 178.246 176.000 0.051 0.000 0.974 220 Q CA 1.740 57.572 55.803 0.049 0.000 0.840 220 Q CB -0.870 27.891 28.738 0.038 0.000 0.898 220 Q HN 0.266 nan 8.270 nan 0.000 0.430 221 Q N -1.054 118.771 119.800 0.042 0.000 2.170 221 Q HA -0.098 4.154 4.340 -0.145 0.000 0.203 221 Q C 2.001 178.007 176.000 0.009 0.000 0.976 221 Q CA 1.367 57.193 55.803 0.038 0.000 0.858 221 Q CB 0.111 28.872 28.738 0.039 0.000 0.907 221 Q HN 0.250 nan 8.270 nan 0.000 0.433 222 V N 0.813 120.734 119.914 0.011 0.000 2.307 222 V HA -0.252 3.781 4.120 -0.145 0.000 0.245 222 V C 2.108 178.271 176.094 0.114 0.000 1.045 222 V CA 1.478 63.772 62.300 -0.009 0.000 1.024 222 V CB -0.428 31.433 31.823 0.064 0.000 0.651 222 V HN 0.366 nan 8.190 nan 0.000 0.449 223 L N -0.149 121.172 121.223 0.164 0.000 2.079 223 L HA -0.213 4.040 4.340 -0.145 0.000 0.210 223 L C 2.337 179.310 176.870 0.171 0.000 1.081 223 L CA 1.552 56.518 54.840 0.210 0.000 0.752 223 L CB -0.797 41.335 42.059 0.120 0.000 0.896 223 L HN 0.358 nan 8.230 nan 0.000 0.433 224 D N 0.112 120.572 120.400 0.101 0.000 2.178 224 D HA -0.128 4.424 4.640 -0.145 0.000 0.201 224 D C 2.145 178.509 176.300 0.107 0.000 0.980 224 D CA 1.463 55.517 54.000 0.089 0.000 0.842 224 D CB -0.258 40.588 40.800 0.077 0.000 0.948 224 D HN 0.372 nan 8.370 nan 0.000 0.472 225 G N -0.217 108.601 108.800 0.030 0.000 2.422 225 G HA2 -0.225 3.648 3.960 -0.145 0.000 0.218 225 G HA3 -0.225 3.648 3.960 -0.145 0.000 0.218 225 G C 1.381 176.264 174.900 -0.028 0.000 1.146 225 G CA 0.230 45.316 45.100 -0.023 0.000 0.769 225 G HN 0.181 nan 8.290 nan 0.000 0.547 226 F N 1.221 121.198 119.950 0.046 0.000 2.149 226 F HA 0.470 4.910 4.527 -0.146 0.000 0.294 226 F C 1.482 177.266 175.800 -0.027 0.000 1.095 226 F CA 0.896 58.904 58.000 0.014 0.000 1.276 226 F CB 0.034 39.026 39.000 -0.012 0.000 1.023 226 F HN 0.266 nan 8.300 nan 0.000 0.480 227 A N -0.923 121.995 122.820 0.162 0.000 2.594 227 A HA 0.396 4.629 4.320 -0.145 0.000 0.295 227 A C -1.505 176.096 177.584 0.028 0.000 1.071 227 A CA -0.759 51.306 52.037 0.047 0.000 0.685 227 A CB 0.564 19.582 19.000 0.031 0.000 1.285 227 A HN -0.049 nan 8.150 nan 0.000 0.405 228 D N 1.210 121.601 120.400 -0.015 0.000 2.389 228 D HA 0.096 4.649 4.640 -0.145 0.000 0.263 228 D C 0.712 177.010 176.300 -0.003 0.000 1.255 228 D CA 0.388 54.381 54.000 -0.012 0.000 0.914 228 D CB 0.799 41.578 40.800 -0.036 0.000 1.116 228 D HN 0.355 nan 8.370 nan 0.000 0.502 229 Q N 2.919 122.727 119.800 0.013 0.000 2.425 229 Q HA -0.050 4.203 4.340 -0.145 0.000 0.204 229 Q C 1.517 177.523 176.000 0.010 0.000 0.933 229 Q CA 0.181 55.994 55.803 0.017 0.000 0.939 229 Q CB 0.191 28.948 28.738 0.033 0.000 1.044 229 Q HN 0.660 nan 8.270 nan 0.000 0.513 230 Q N 0.600 120.401 119.800 0.003 0.000 2.047 230 Q HA -0.184 4.069 4.340 -0.145 0.000 0.211 230 Q C -0.676 175.321 176.000 -0.006 0.000 1.005 230 Q CA 1.925 57.727 55.803 -0.002 0.000 0.866 230 Q CB -1.188 27.545 28.738 -0.009 0.000 0.938 230 Q HN 0.370 nan 8.270 nan 0.000 0.414 231 P HA 0.061 nan 4.420 nan 0.000 0.242 231 P C -0.900 176.388 177.300 -0.020 0.000 1.197 231 P CA 0.379 63.466 63.100 -0.023 0.000 0.765 231 P CB -0.020 31.658 31.700 -0.036 0.000 0.936 232 A N 0.543 123.360 122.820 -0.005 0.000 2.401 232 A HA 0.419 4.652 4.320 -0.145 0.000 0.259 232 A C 0.846 178.443 177.584 0.022 0.000 1.103 232 A CA -0.213 51.830 52.037 0.009 0.000 0.789 232 A CB -0.067 18.954 19.000 0.036 0.000 1.035 232 A HN 0.250 nan 8.150 nan 0.000 0.491 233 S N 2.591 118.300 115.700 0.015 0.000 2.600 233 S HA 0.458 4.841 4.470 -0.145 0.000 0.265 233 S C -2.624 172.053 174.600 0.130 0.000 1.325 233 S CA -1.063 57.160 58.200 0.039 0.000 1.002 233 S CB -0.179 63.006 63.200 -0.025 0.000 0.921 233 S HN 0.512 nan 8.310 nan 0.000 0.554 234 P HA 0.284 nan 4.420 nan 0.000 0.266 234 P C 1.036 178.416 177.300 0.133 0.000 1.195 234 P CA 1.120 64.278 63.100 0.097 0.000 0.768 234 P CB 0.098 31.835 31.700 0.062 0.000 0.838 235 G N 0.619 109.434 108.800 0.025 0.000 2.179 235 G HA2 -0.217 3.656 3.960 -0.145 0.000 0.260 235 G HA3 -0.217 3.656 3.960 -0.145 0.000 0.260 235 G C -0.042 174.665 174.900 -0.320 0.000 0.977 235 G CA 0.110 45.133 45.100 -0.127 0.000 0.641 235 G HN 0.686 nan 8.290 nan 0.000 0.533 236 H N -0.180 118.891 119.070 0.001 0.000 2.834 236 H HA 0.833 5.302 4.556 -0.145 0.000 0.369 236 H C 0.319 175.637 175.328 -0.016 0.000 1.174 236 H CA 0.165 56.205 56.048 -0.014 0.000 1.165 236 H CB 1.977 31.721 29.762 -0.030 0.000 1.820 236 H HN 0.675 nan 8.280 nan 0.000 0.558 237 A N 1.110 123.986 122.820 0.093 0.000 2.485 237 A HA 0.712 4.945 4.320 -0.145 0.000 0.292 237 A C -1.200 176.390 177.584 0.010 0.000 1.147 237 A CA -0.649 51.413 52.037 0.041 0.000 0.750 237 A CB 1.042 20.060 19.000 0.029 0.000 1.331 237 A HN 0.592 nan 8.150 nan 0.000 0.419 238 I N 1.448 122.021 120.570 0.006 0.000 2.378 238 I HA 0.422 4.505 4.170 -0.145 0.000 0.291 238 I C -0.330 175.780 176.117 -0.012 0.000 0.992 238 I CA -0.371 60.923 61.300 -0.010 0.000 1.154 238 I CB 1.478 39.470 38.000 -0.013 0.000 1.315 238 I HN 0.649 nan 8.210 nan 0.000 0.448 239 I N 4.273 124.828 120.570 -0.026 0.000 2.750 239 I HA 0.795 4.878 4.170 -0.145 0.000 0.308 239 I C -0.301 175.800 176.117 -0.026 0.000 1.016 239 I CA -0.529 60.733 61.300 -0.063 0.000 1.098 239 I CB 1.858 39.796 38.000 -0.104 0.000 1.279 239 I HN 0.665 nan 8.210 nan 0.000 0.454 240 C N 4.441 123.695 119.300 -0.076 0.000 2.779 240 C HA 0.967 5.340 4.460 -0.145 0.000 0.314 240 C C -0.229 174.716 174.990 -0.075 0.000 1.231 240 C CA -0.723 58.259 59.018 -0.060 0.000 1.652 240 C CB 1.136 28.836 27.740 -0.066 0.000 2.198 240 C HN 1.126 nan 8.230 nan 0.000 0.483 241 M N 0.565 120.126 119.600 -0.065 0.000 2.773 241 M HA 0.447 4.840 4.480 -0.145 0.000 0.270 241 M C -0.702 175.570 176.300 -0.046 0.000 1.238 241 M CA -0.523 54.749 55.300 -0.046 0.000 0.832 241 M CB 1.043 33.608 32.600 -0.057 0.000 1.672 241 M HN 0.885 nan 8.290 nan 0.000 0.480 242 H N 2.038 121.090 119.070 -0.030 0.000 3.070 242 H HA 0.120 4.590 4.556 -0.144 0.000 0.313 242 H C -2.035 173.201 175.328 -0.153 0.000 0.997 242 H CA -0.259 55.805 56.048 0.027 0.000 1.438 242 H CB 0.900 30.722 29.762 0.100 0.000 1.455 242 H HN 0.408 nan 8.280 nan 0.000 0.575 243 P HA -0.216 nan 4.420 nan 0.000 0.216 243 P C 1.799 178.955 177.300 -0.239 0.000 1.154 243 P CA 1.013 64.037 63.100 -0.127 0.000 0.865 243 P CB 0.292 31.840 31.700 -0.254 0.000 0.789 244 V N -0.413 119.251 119.914 -0.416 0.000 2.332 244 V HA -0.281 3.751 4.120 -0.145 0.000 0.248 244 V C 2.718 178.620 176.094 -0.318 0.000 1.055 244 V CA 2.186 64.109 62.300 -0.628 0.000 1.038 244 V CB -1.240 29.808 31.823 -1.293 0.000 0.651 244 V HN 0.138 nan 8.190 nan 0.000 0.450 245 Q N 0.483 120.151 119.800 -0.220 0.000 2.084 245 Q HA -0.131 4.122 4.340 -0.145 0.000 0.202 245 Q C 2.125 178.111 176.000 -0.024 0.000 0.978 245 Q CA 2.141 57.881 55.803 -0.106 0.000 0.844 245 Q CB -0.605 28.089 28.738 -0.074 0.000 0.898 245 Q HN 0.576 nan 8.270 nan 0.000 0.426 246 A N 0.292 123.080 122.820 -0.054 0.000 1.892 246 A HA -0.283 3.950 4.320 -0.145 0.000 0.218 246 A C 2.057 179.678 177.584 0.062 0.000 1.188 246 A CA 1.845 53.864 52.037 -0.031 0.000 0.631 246 A CB -0.724 17.900 19.000 -0.626 0.000 0.822 246 A HN 0.470 nan 8.150 nan 0.000 0.447 247 Q N -0.266 119.527 119.800 -0.011 0.000 2.050 247 Q HA -0.096 4.157 4.340 -0.145 0.000 0.202 247 Q C 2.272 178.331 176.000 0.098 0.000 0.980 247 Q CA 1.430 57.264 55.803 0.052 0.000 0.840 247 Q CB -0.631 28.122 28.738 0.026 0.000 0.898 247 Q HN 0.743 nan 8.270 nan 0.000 0.424 248 L N -0.357 120.916 121.223 0.083 0.000 2.012 248 L HA -0.186 4.067 4.340 -0.145 0.000 0.210 248 L C 2.395 179.380 176.870 0.191 0.000 1.073 248 L CA 1.357 56.270 54.840 0.122 0.000 0.748 248 L CB -0.663 41.451 42.059 0.091 0.000 0.891 248 L HN 0.124 nan 8.230 nan 0.000 0.431 249 F N 0.408 120.371 119.950 0.022 0.000 2.120 249 F HA -0.300 4.140 4.527 -0.146 0.000 0.300 249 F C 2.401 178.257 175.800 0.094 0.000 1.095 249 F CA 1.593 59.610 58.000 0.028 0.000 1.249 249 F CB -0.014 38.944 39.000 -0.071 0.000 0.995 249 F HN -0.022 nan 8.300 nan 0.000 0.480 250 M N -0.118 119.522 119.600 0.068 0.000 2.618 250 M HA -0.072 4.321 4.480 -0.145 0.000 0.240 250 M C 1.455 177.752 176.300 -0.005 0.000 1.123 250 M CA 0.608 55.893 55.300 -0.025 0.000 1.060 250 M CB -0.035 32.629 32.600 0.107 0.000 1.535 250 M HN 0.298 nan 8.290 nan 0.000 0.507 251 Q N -0.238 119.579 119.800 0.029 0.000 2.311 251 Q HA -0.010 4.243 4.340 -0.145 0.000 0.203 251 Q C 0.486 176.471 176.000 -0.026 0.000 0.954 251 Q CA 0.401 56.217 55.803 0.023 0.000 0.885 251 Q CB 0.050 28.821 28.738 0.055 0.000 0.963 251 Q HN 0.347 nan 8.270 nan 0.000 0.471 252 D N 0.167 120.531 120.400 -0.061 0.000 2.312 252 D HA 0.152 4.705 4.640 -0.145 0.000 0.252 252 D C 0.618 176.809 176.300 -0.183 0.000 1.150 252 D CA 0.077 53.982 54.000 -0.158 0.000 0.870 252 D CB 1.376 42.024 40.800 -0.254 0.000 1.153 252 D HN 0.113 nan 8.370 nan 0.000 0.457 253 A N 5.349 128.069 122.820 -0.166 0.000 1.997 253 A HA -0.251 3.982 4.320 -0.145 0.000 0.221 253 A C 2.075 179.596 177.584 -0.104 0.000 1.172 253 A CA 1.409 53.376 52.037 -0.117 0.000 0.645 253 A CB -0.206 18.730 19.000 -0.107 0.000 0.813 253 A HN 0.716 nan 8.150 nan 0.000 0.454 254 R N -1.107 119.294 120.500 -0.165 0.000 2.115 254 R HA -0.009 4.244 4.340 -0.145 0.000 0.226 254 R C 1.948 178.298 176.300 0.084 0.000 1.100 254 R CA 1.233 57.305 56.100 -0.046 0.000 0.980 254 R CB -0.350 29.877 30.300 -0.122 0.000 0.875 254 R HN 0.416 nan 8.270 nan 0.000 0.445 255 V N 0.875 120.746 119.914 -0.072 0.000 2.407 255 V HA -0.190 3.843 4.120 -0.145 0.000 0.245 255 V C 2.311 178.377 176.094 -0.046 0.000 1.041 255 V CA 1.428 63.663 62.300 -0.110 0.000 1.040 255 V CB -0.386 31.111 31.823 -0.543 0.000 0.671 255 V HN 0.254 nan 8.190 nan 0.000 0.455 256 Q N -0.097 119.670 119.800 -0.054 0.000 2.112 256 Q HA -0.301 3.951 4.340 -0.145 0.000 0.206 256 Q C 2.249 178.258 176.000 0.014 0.000 0.987 256 Q CA 2.195 57.990 55.803 -0.013 0.000 0.858 256 Q CB -0.398 28.327 28.738 -0.022 0.000 0.905 256 Q HN 0.669 nan 8.270 nan 0.000 0.420 257 Q N 0.535 120.347 119.800 0.020 0.000 2.050 257 Q HA -0.065 4.188 4.340 -0.145 0.000 0.202 257 Q C 2.143 178.178 176.000 0.058 0.000 0.980 257 Q CA 1.234 57.058 55.803 0.035 0.000 0.840 257 Q CB -0.310 28.449 28.738 0.035 0.000 0.898 257 Q HN 0.389 nan 8.270 nan 0.000 0.424 258 L N -0.320 120.957 121.223 0.090 0.000 2.131 258 L HA -0.179 4.074 4.340 -0.145 0.000 0.210 258 L C 2.298 179.212 176.870 0.074 0.000 1.092 258 L CA 0.792 55.694 54.840 0.102 0.000 0.759 258 L CB -0.441 41.714 42.059 0.160 0.000 0.903 258 L HN 0.267 nan 8.230 nan 0.000 0.435 259 L N -0.569 120.693 121.223 0.065 0.000 2.027 259 L HA -0.186 4.067 4.340 -0.145 0.000 0.206 259 L C 2.839 179.739 176.870 0.050 0.000 1.074 259 L CA 1.135 56.015 54.840 0.066 0.000 0.745 259 L CB -0.465 41.640 42.059 0.077 0.000 0.898 259 L HN 0.210 nan 8.230 nan 0.000 0.433 260 R N 0.293 120.818 120.500 0.042 0.000 2.096 260 R HA -0.214 4.038 4.340 -0.145 0.000 0.240 260 R C 1.445 177.764 176.300 0.031 0.000 1.139 260 R CA 2.150 58.270 56.100 0.032 0.000 0.952 260 R CB -0.181 30.135 30.300 0.026 0.000 0.854 260 R HN 0.329 nan 8.270 nan 0.000 0.436 261 D N 0.282 120.704 120.400 0.037 0.000 2.355 261 D HA -0.019 4.533 4.640 -0.145 0.000 0.218 261 D C -0.198 176.124 176.300 0.037 0.000 1.004 261 D CA 0.377 54.399 54.000 0.036 0.000 0.880 261 D CB 0.042 40.867 40.800 0.043 0.000 0.911 261 D HN 0.325 nan 8.370 nan 0.000 0.528 262 N N -0.027 118.695 118.700 0.037 0.000 2.754 262 N HA -0.149 4.504 4.740 -0.145 0.000 0.248 262 N C 1.009 176.541 175.510 0.038 0.000 1.093 262 N CA 0.240 53.306 53.050 0.027 0.000 0.699 262 N CB -1.560 36.934 38.487 0.012 0.000 1.016 262 N HN 0.156 nan 8.380 nan 0.000 0.552 263 V N -0.034 119.916 119.914 0.060 0.000 2.488 263 V HA 0.032 4.065 4.120 -0.145 0.000 0.246 263 V C 1.498 177.620 176.094 0.046 0.000 1.046 263 V CA 1.777 64.133 62.300 0.093 0.000 1.053 263 V CB -0.149 31.755 31.823 0.134 0.000 0.679 263 V HN 0.555 nan 8.190 nan 0.000 0.458 264 I N -2.271 118.298 120.570 -0.001 0.000 3.067 264 I HA 0.641 4.724 4.170 -0.145 0.000 0.312 264 I C -0.447 175.684 176.117 0.024 0.000 1.073 264 I CA -1.071 60.187 61.300 -0.070 0.000 1.016 264 I CB 2.121 40.003 38.000 -0.197 0.000 1.227 264 I HN -0.171 nan 8.210 nan 0.000 0.456 265 R N 1.612 122.152 120.500 0.068 0.000 2.561 265 R HA 0.275 4.528 4.340 -0.145 0.000 0.297 265 R C -1.498 174.944 176.300 0.237 0.000 0.969 265 R CA -0.837 55.325 56.100 0.102 0.000 0.879 265 R CB 1.818 32.118 30.300 0.000 0.000 1.178 265 R HN 0.669 nan 8.270 nan 0.000 0.445 266 D N 4.204 124.736 120.400 0.219 0.000 2.344 266 D HA 0.118 4.671 4.640 -0.145 0.000 0.253 266 D C -0.275 175.994 176.300 -0.051 0.000 1.255 266 D CA 0.004 54.076 54.000 0.120 0.000 0.894 266 D CB 0.424 41.343 40.800 0.198 0.000 1.067 266 D HN 0.309 nan 8.370 nan 0.000 0.492 267 L N 2.791 123.903 121.223 -0.184 0.000 2.399 267 L HA 0.522 4.775 4.340 -0.145 0.000 0.266 267 L C 1.691 178.350 176.870 -0.351 0.000 1.114 267 L CA -1.017 53.698 54.840 -0.207 0.000 0.804 267 L CB 1.233 43.177 42.059 -0.191 0.000 1.146 267 L HN 0.365 nan 8.230 nan 0.000 0.451 268 G N 0.521 109.117 108.800 -0.340 0.000 2.679 268 G HA2 0.061 3.933 3.960 -0.145 0.000 0.202 268 G HA3 0.061 3.933 3.960 -0.145 0.000 0.202 268 G C -0.045 174.379 174.900 -0.793 0.000 1.566 268 G CA -0.423 44.372 45.100 -0.508 0.000 1.074 268 G HN 0.673 nan 8.290 nan 0.000 0.564 269 Q N 0.670 120.132 119.800 -0.563 0.000 3.026 269 Q HA 0.166 4.419 4.340 -0.145 0.000 0.258 269 Q C 0.947 176.789 176.000 -0.263 0.000 1.388 269 Q CA -0.034 55.530 55.803 -0.398 0.000 1.000 269 Q CB 0.401 29.013 28.738 -0.211 0.000 1.634 269 Q HN 0.498 nan 8.270 nan 0.000 0.571 270 S N -1.312 114.223 115.700 -0.275 0.000 2.511 270 S HA 0.132 4.515 4.470 -0.145 0.000 0.214 270 S C 1.054 175.553 174.600 -0.169 0.000 0.997 270 S CA -0.138 57.946 58.200 -0.193 0.000 0.908 270 S CB 0.544 63.636 63.200 -0.180 0.000 0.803 270 S HN 0.466 nan 8.310 nan 0.000 0.504 271 G N 1.430 110.114 108.800 -0.193 0.000 2.570 271 G HA2 0.412 4.285 3.960 -0.145 0.000 0.276 271 G HA3 0.412 4.285 3.960 -0.145 0.000 0.276 271 G C -0.328 174.465 174.900 -0.179 0.000 1.346 271 G CA -1.126 43.867 45.100 -0.177 0.000 1.034 271 G HN 0.379 nan 8.290 nan 0.000 0.512 272 R N -1.284 119.103 120.500 -0.188 0.000 2.537 272 R HA 0.099 4.352 4.340 -0.145 0.000 0.281 272 R C -0.237 175.951 176.300 -0.188 0.000 0.988 272 R CA -0.166 55.816 56.100 -0.198 0.000 1.077 272 R CB 0.320 30.474 30.300 -0.243 0.000 0.932 272 R HN 0.136 nan 8.270 nan 0.000 0.409 273 V N 3.426 123.261 119.914 -0.132 0.000 2.427 273 V HA 0.386 4.419 4.120 -0.145 0.000 0.268 273 V C 0.461 176.542 176.094 -0.022 0.000 1.046 273 V CA 0.078 62.336 62.300 -0.070 0.000 0.970 273 V CB 0.747 32.547 31.823 -0.039 0.000 1.001 273 V HN 0.919 nan 8.190 nan 0.000 0.476 274 A N 4.274 127.140 122.820 0.076 0.000 2.527 274 A HA 0.866 5.099 4.320 -0.145 0.000 0.293 274 A C -0.370 177.499 177.584 0.474 0.000 1.117 274 A CA -0.654 51.520 52.037 0.227 0.000 0.723 274 A CB 1.908 21.045 19.000 0.229 0.000 1.313 274 A HN 0.648 nan 8.150 nan 0.000 0.411 275 S N 2.068 118.028 115.700 0.434 0.000 2.442 275 S HA 0.632 5.014 4.470 -0.145 0.000 0.297 275 S C -2.765 171.978 174.600 0.237 0.000 1.131 275 S CA -1.134 57.271 58.200 0.341 0.000 1.092 275 S CB 1.060 64.426 63.200 0.277 0.000 0.998 275 S HN 0.515 nan 8.310 nan 0.000 0.478 276 P HA 0.188 nan 4.420 nan 0.000 0.271 276 P C 0.356 177.604 177.300 -0.087 0.000 1.218 276 P CA -0.278 62.584 63.100 -0.398 0.000 0.780 276 P CB 0.329 31.701 31.700 -0.547 0.000 0.901 277 T N -1.457 113.074 114.554 -0.038 0.000 2.867 277 T HA 0.493 4.756 4.350 -0.145 0.000 0.286 277 T C 1.429 176.100 174.700 -0.048 0.000 1.022 277 T CA -0.123 61.979 62.100 0.004 0.000 0.933 277 T CB 0.158 69.098 68.868 0.119 0.000 1.280 277 T HN 0.248 nan 8.240 nan 0.000 0.566 278 A N 0.584 123.366 122.820 -0.063 0.000 2.019 278 A HA -0.013 4.220 4.320 -0.145 0.000 0.219 278 A C 2.458 180.024 177.584 -0.029 0.000 1.164 278 A CA 1.855 53.853 52.037 -0.064 0.000 0.644 278 A CB -1.440 17.504 19.000 -0.094 0.000 0.805 278 A HN 1.076 nan 8.150 nan 0.000 0.449 279 S N -1.292 114.401 115.700 -0.013 0.000 2.561 279 S HA 0.085 4.468 4.470 -0.145 0.000 0.225 279 S C 1.186 175.796 174.600 0.016 0.000 0.977 279 S CA 0.617 58.821 58.200 0.006 0.000 0.926 279 S CB -0.321 62.891 63.200 0.019 0.000 0.769 279 S HN 0.692 nan 8.310 nan 0.000 0.533 280 I N -0.184 120.381 120.570 -0.008 0.000 4.262 280 I HA -0.339 3.744 4.170 -0.145 0.000 0.084 280 I C 1.360 177.460 176.117 -0.028 0.000 0.540 280 I CA 2.102 63.409 61.300 0.012 0.000 1.178 280 I CB -1.934 36.142 38.000 0.127 0.000 1.046 280 I HN 0.600 nan 8.210 nan 0.000 0.173 281 R N 1.237 121.767 120.500 0.050 0.000 2.334 281 R HA 0.356 4.609 4.340 -0.145 0.000 0.216 281 R C 0.331 176.757 176.300 0.209 0.000 0.905 281 R CA 0.569 56.779 56.100 0.183 0.000 1.064 281 R CB -0.406 30.002 30.300 0.181 0.000 1.046 281 R HN 0.330 nan 8.270 nan 0.000 0.508 282 T N 0.822 115.430 114.554 0.090 0.000 2.794 282 T HA 0.417 4.680 4.350 -0.145 0.000 0.280 282 T C -1.192 173.635 174.700 0.213 0.000 0.987 282 T CA -0.428 61.814 62.100 0.237 0.000 0.993 282 T CB 0.760 69.724 68.868 0.159 0.000 0.939 282 T HN 0.173 nan 8.240 nan 0.000 0.449 283 W N 2.475 123.963 121.300 0.314 0.000 2.606 283 W HA 0.672 5.246 4.660 -0.144 0.000 0.332 283 W C -0.625 176.127 176.519 0.388 0.000 1.052 283 W CA -1.258 56.268 57.345 0.301 0.000 1.223 283 W CB 0.859 30.423 29.460 0.173 0.000 1.383 283 W HN 0.574 nan 8.180 nan 0.000 0.524 284 F N 3.966 124.141 119.950 0.376 0.000 2.469 284 F HA 0.714 5.154 4.527 -0.145 0.000 0.332 284 F C -0.652 175.190 175.800 0.069 0.000 1.103 284 F CA -1.075 56.992 58.000 0.113 0.000 0.979 284 F CB 0.715 39.805 39.000 0.150 0.000 1.137 284 F HN 0.151 nan 8.300 nan 0.000 0.463 285 I N 5.132 125.195 120.570 -0.845 0.000 2.448 285 I HA 0.181 4.264 4.170 -0.145 0.000 0.281 285 I C -0.833 174.696 176.117 -0.979 0.000 1.027 285 I CA -0.883 60.041 61.300 -0.626 0.000 1.111 285 I CB 1.267 39.087 38.000 -0.299 0.000 1.236 285 I HN 0.502 nan 8.210 nan 0.000 0.452 286 D N 5.443 125.406 120.400 -0.730 0.000 2.525 286 D HA -0.074 4.479 4.640 -0.145 0.000 0.235 286 D C 0.130 176.267 176.300 -0.271 0.000 1.137 286 D CA 1.168 54.934 54.000 -0.390 0.000 0.868 286 D CB 0.506 41.338 40.800 0.053 0.000 1.180 286 D HN 0.456 nan 8.370 nan 0.000 0.465 287 D N 1.262 121.529 120.400 -0.223 0.000 2.735 287 D HA -0.269 4.284 4.640 -0.145 0.000 0.235 287 D C -0.955 175.264 176.300 -0.135 0.000 1.175 287 D CA 0.925 54.829 54.000 -0.160 0.000 0.683 287 D CB -1.075 39.673 40.800 -0.087 0.000 1.008 287 D HN 0.527 nan 8.370 nan 0.000 0.416 288 H N -0.648 118.212 119.070 -0.350 0.000 2.851 288 H HA 0.338 4.807 4.556 -0.145 0.000 0.372 288 H C 0.422 175.508 175.328 -0.404 0.000 1.158 288 H CA -0.803 55.057 56.048 -0.314 0.000 1.159 288 H CB 1.278 30.866 29.762 -0.290 0.000 1.757 288 H HN -0.283 nan 8.280 nan 0.000 0.546 289 D N 1.999 121.809 120.400 -0.983 0.000 2.310 289 D HA -0.062 4.491 4.640 -0.145 0.000 0.212 289 D C -0.309 175.235 176.300 -1.259 0.000 0.965 289 D CA 1.367 54.698 54.000 -1.116 0.000 0.879 289 D CB 0.122 40.106 40.800 -1.359 0.000 0.921 289 D HN 0.361 nan 8.370 nan 0.000 0.510 290 Y N -1.674 118.239 120.300 -0.646 0.000 2.553 290 Y HA 0.381 4.844 4.550 -0.145 0.000 0.347 290 Y C -0.008 175.766 175.900 -0.211 0.000 1.019 290 Y CA -1.352 56.553 58.100 -0.326 0.000 1.032 290 Y CB 1.085 39.360 38.460 -0.309 0.000 1.284 290 Y HN -0.339 nan 8.280 nan 0.000 0.466 291 F N 1.455 121.458 119.950 0.088 0.000 2.378 291 F HA 0.479 4.920 4.527 -0.144 0.000 0.319 291 F C -0.037 175.852 175.800 0.149 0.000 1.155 291 F CA -0.380 57.712 58.000 0.152 0.000 1.157 291 F CB 0.574 39.682 39.000 0.180 0.000 1.252 291 F HN 0.149 nan 8.300 nan 0.000 0.550 292 I N 1.747 122.573 120.570 0.427 0.000 2.382 292 I HA 0.253 4.336 4.170 -0.145 0.000 0.286 292 I C -0.553 175.838 176.117 0.456 0.000 1.002 292 I CA -0.557 60.950 61.300 0.345 0.000 1.135 292 I CB 1.610 39.771 38.000 0.269 0.000 1.288 292 I HN 0.464 nan 8.210 nan 0.000 0.448 293 K N 5.065 125.690 120.400 0.376 0.000 2.182 293 K HA 0.826 5.059 4.320 -0.145 0.000 0.262 293 K C -0.430 176.348 176.600 0.297 0.000 0.957 293 K CA -0.443 56.034 56.287 0.317 0.000 0.842 293 K CB 1.764 34.376 32.500 0.187 0.000 1.099 293 K HN 0.730 nan 8.250 nan 0.000 0.438 294 G N 0.956 109.915 108.800 0.264 0.000 2.733 294 G HA2 0.351 4.223 3.960 -0.145 0.000 0.288 294 G HA3 0.351 4.223 3.960 -0.145 0.000 0.288 294 G C -1.243 173.721 174.900 0.107 0.000 1.373 294 G CA -0.778 44.425 45.100 0.171 0.000 0.895 294 G HN 0.565 nan 8.290 nan 0.000 0.479 295 S N -1.029 114.685 115.700 0.024 0.000 2.580 295 S HA 0.537 4.920 4.470 -0.145 0.000 0.274 295 S C -0.694 173.900 174.600 -0.010 0.000 1.329 295 S CA -0.091 58.099 58.200 -0.018 0.000 1.036 295 S CB 1.204 64.350 63.200 -0.090 0.000 0.919 295 S HN 0.611 nan 8.310 nan 0.000 0.515 296 L N 3.608 124.819 121.223 -0.020 0.000 2.555 296 L HA 0.383 4.636 4.340 -0.145 0.000 0.264 296 L C -0.655 176.203 176.870 -0.020 0.000 0.972 296 L CA -0.171 54.641 54.840 -0.047 0.000 0.876 296 L CB 1.333 43.354 42.059 -0.064 0.000 1.216 296 L HN 0.543 nan 8.230 nan 0.000 0.415 297 N N 3.958 122.646 118.700 -0.020 0.000 3.243 297 N HA 0.242 4.895 4.740 -0.145 0.000 0.310 297 N C -1.282 174.258 175.510 0.050 0.000 1.313 297 N CA 0.294 53.351 53.050 0.012 0.000 1.204 297 N CB -0.025 38.471 38.487 0.014 0.000 1.483 297 N HN 0.383 nan 8.380 nan 0.000 0.553 298 V N 1.469 121.417 119.914 0.056 0.000 2.888 298 V HA 0.377 4.410 4.120 -0.145 0.000 0.309 298 V C 0.073 176.195 176.094 0.047 0.000 1.114 298 V CA -1.055 61.294 62.300 0.082 0.000 0.940 298 V CB 2.598 34.524 31.823 0.171 0.000 1.021 298 V HN 0.175 nan 8.190 nan 0.000 0.426 299 R N 3.663 124.179 120.500 0.027 0.000 2.316 299 R HA 0.519 4.772 4.340 -0.145 0.000 0.314 299 R C -0.961 175.322 176.300 -0.028 0.000 1.069 299 R CA 0.061 56.165 56.100 0.008 0.000 0.959 299 R CB 0.434 30.742 30.300 0.012 0.000 0.987 299 R HN 0.556 nan 8.270 nan 0.000 0.446 300 I N 2.287 122.839 120.570 -0.030 0.000 2.468 300 I HA 0.029 4.112 4.170 -0.145 0.000 0.284 300 I C 0.355 176.410 176.117 -0.103 0.000 1.038 300 I CA -0.575 60.684 61.300 -0.069 0.000 1.083 300 I CB 2.044 40.016 38.000 -0.046 0.000 1.223 300 I HN 0.742 nan 8.210 nan 0.000 0.443 301 T N 2.385 116.825 114.554 -0.189 0.000 3.549 301 T HA -0.265 3.998 4.350 -0.145 0.000 0.398 301 T C 0.450 175.079 174.700 -0.118 0.000 0.766 301 T CA 1.004 62.844 62.100 -0.435 0.000 2.007 301 T CB -1.482 66.965 68.868 -0.701 0.000 1.727 301 T HN 0.919 nan 8.240 nan 0.000 0.693 302 N N -2.939 115.783 118.700 0.037 0.000 2.979 302 N HA -0.150 4.503 4.740 -0.145 0.000 0.234 302 N C -0.190 175.349 175.510 0.048 0.000 0.938 302 N CA 1.017 54.117 53.050 0.084 0.000 0.961 302 N CB -1.997 36.572 38.487 0.137 0.000 1.089 302 N HN 0.956 nan 8.380 nan 0.000 0.576 303 C N -0.033 119.283 119.300 0.027 0.000 2.609 303 C HA 0.578 4.951 4.460 -0.145 0.000 0.313 303 C C 0.668 175.675 174.990 0.028 0.000 1.175 303 C CA -1.154 57.884 59.018 0.033 0.000 1.434 303 C CB 2.043 29.805 27.740 0.035 0.000 2.005 303 C HN 0.195 nan 8.230 nan 0.000 0.471 304 V N 5.463 125.398 119.914 0.035 0.000 2.521 304 V HA 0.246 4.279 4.120 -0.145 0.000 0.286 304 V C 0.776 176.885 176.094 0.025 0.000 1.034 304 V CA 0.395 62.714 62.300 0.033 0.000 1.045 304 V CB 0.376 32.223 31.823 0.040 0.000 0.974 304 V HN 0.820 nan 8.190 nan 0.000 0.480 305 R N 5.716 126.229 120.500 0.022 0.000 3.081 305 R HA 0.156 4.409 4.340 -0.145 0.000 0.280 305 R C 0.457 176.760 176.300 0.006 0.000 1.372 305 R CA -0.062 56.050 56.100 0.020 0.000 1.242 305 R CB -0.683 29.635 30.300 0.030 0.000 1.316 305 R HN 0.797 nan 8.270 nan 0.000 0.585 306 K N -0.162 120.232 120.400 -0.010 0.000 2.087 306 K HA 0.268 4.501 4.320 -0.145 0.000 0.255 306 K C -0.740 175.825 176.600 -0.059 0.000 0.988 306 K CA -0.561 55.701 56.287 -0.041 0.000 0.915 306 K CB 1.123 33.589 32.500 -0.056 0.000 1.043 306 K HN -0.177 nan 8.250 nan 0.000 0.457 307 N N 0.334 118.981 118.700 -0.089 0.000 2.518 307 N HA 0.258 4.911 4.740 -0.145 0.000 0.254 307 N C -1.120 174.266 175.510 -0.208 0.000 0.979 307 N CA -0.407 52.568 53.050 -0.126 0.000 0.930 307 N CB 1.803 40.241 38.487 -0.082 0.000 1.152 307 N HN 0.784 nan 8.380 nan 0.000 0.505 308 A N 2.069 124.680 122.820 -0.349 0.000 2.507 308 A HA -0.045 4.188 4.320 -0.145 0.000 0.235 308 A C 1.458 178.679 177.584 -0.605 0.000 1.070 308 A CA -0.336 51.367 52.037 -0.556 0.000 0.768 308 A CB 0.031 18.385 19.000 -1.076 0.000 1.011 308 A HN 1.003 nan 8.150 nan 0.000 0.502 309 W N 2.043 123.060 121.300 -0.471 0.000 2.308 309 W HA -0.345 4.229 4.660 -0.145 0.000 0.301 309 W C 1.283 177.630 176.519 -0.286 0.000 1.220 309 W CA 2.107 59.260 57.345 -0.321 0.000 1.240 309 W CB -1.205 28.099 29.460 -0.260 0.000 1.142 309 W HN 0.910 nan 8.180 nan 0.000 0.521 310 Y N 0.164 119.651 120.300 -1.355 0.000 2.395 310 Y HA 0.188 4.650 4.550 -0.146 0.000 0.293 310 Y C 2.251 177.831 175.900 -0.534 0.000 1.123 310 Y CA 1.205 58.525 58.100 -1.300 0.000 1.227 310 Y CB -1.282 36.238 38.460 -1.567 0.000 1.012 310 Y HN 0.020 nan 8.280 nan 0.000 0.552 311 E N 0.979 120.805 120.200 -0.623 0.000 2.046 311 E HA -0.117 4.146 4.350 -0.145 0.000 0.190 311 E C 2.062 178.572 176.600 -0.150 0.000 0.982 311 E CA 0.847 57.082 56.400 -0.274 0.000 0.800 311 E CB -0.115 29.407 29.700 -0.296 0.000 0.756 311 E HN 0.305 nan 8.360 nan 0.000 0.449 312 L N 1.564 122.690 121.223 -0.162 0.000 2.021 312 L HA -0.251 4.002 4.340 -0.145 0.000 0.215 312 L C 2.177 179.054 176.870 0.013 0.000 1.074 312 L CA 1.895 56.712 54.840 -0.038 0.000 0.760 312 L CB -1.104 40.951 42.059 -0.006 0.000 0.889 312 L HN 0.261 nan 8.230 nan 0.000 0.433 313 E N -0.990 119.208 120.200 -0.002 0.000 2.152 313 E HA -0.120 4.143 4.350 -0.145 0.000 0.192 313 E C 2.227 178.850 176.600 0.039 0.000 0.983 313 E CA 1.021 57.450 56.400 0.048 0.000 0.818 313 E CB -0.007 29.744 29.700 0.086 0.000 0.758 313 E HN 0.391 nan 8.360 nan 0.000 0.467 314 S N 0.921 116.623 115.700 0.003 0.000 2.368 314 S HA -0.202 4.181 4.470 -0.145 0.000 0.226 314 S C 2.184 176.822 174.600 0.062 0.000 1.044 314 S CA 1.841 60.056 58.200 0.026 0.000 1.062 314 S CB -0.535 62.674 63.200 0.014 0.000 0.931 314 S HN 0.318 nan 8.310 nan 0.000 0.440 315 T N 2.149 116.754 114.554 0.085 0.000 2.653 315 T HA -0.135 4.128 4.350 -0.145 0.000 0.268 315 T C 1.907 176.711 174.700 0.172 0.000 1.035 315 T CA 1.593 63.791 62.100 0.162 0.000 1.154 315 T CB -0.666 68.291 68.868 0.148 0.000 0.862 315 T HN 0.207 nan 8.240 nan 0.000 0.441 316 V N 1.459 121.449 119.914 0.127 0.000 2.282 316 V HA -0.173 3.860 4.120 -0.145 0.000 0.249 316 V C 2.475 178.625 176.094 0.094 0.000 1.057 316 V CA 1.669 64.039 62.300 0.116 0.000 1.032 316 V CB -0.718 31.166 31.823 0.102 0.000 0.645 316 V HN 0.458 nan 8.190 nan 0.000 0.447 317 L N -0.972 120.295 121.223 0.073 0.000 2.156 317 L HA -0.115 4.138 4.340 -0.145 0.000 0.208 317 L C 2.376 179.254 176.870 0.014 0.000 1.095 317 L CA 0.931 55.800 54.840 0.047 0.000 0.770 317 L CB -0.450 41.637 42.059 0.046 0.000 0.914 317 L HN 0.260 nan 8.230 nan 0.000 0.439 318 I N 0.077 120.651 120.570 0.007 0.000 2.193 318 I HA -0.253 3.830 4.170 -0.145 0.000 0.240 318 I C 2.233 178.266 176.117 -0.139 0.000 1.084 318 I CA 1.552 62.798 61.300 -0.089 0.000 1.365 318 I CB -0.944 36.974 38.000 -0.137 0.000 1.064 318 I HN 0.286 nan 8.210 nan 0.000 0.410 319 D N 0.955 121.325 120.400 -0.050 0.000 2.133 319 D HA -0.274 4.279 4.640 -0.145 0.000 0.195 319 D C 2.373 178.729 176.300 0.092 0.000 0.997 319 D CA 1.530 55.597 54.000 0.111 0.000 0.840 319 D CB -0.016 40.977 40.800 0.321 0.000 0.947 319 D HN 0.134 nan 8.370 nan 0.000 0.452 320 R N -0.602 119.934 120.500 0.059 0.000 2.081 320 R HA -0.128 4.124 4.340 -0.145 0.000 0.235 320 R C 2.288 178.578 176.300 -0.015 0.000 1.131 320 R CA 1.150 57.272 56.100 0.036 0.000 0.960 320 R CB -0.491 29.831 30.300 0.037 0.000 0.856 320 R HN 0.286 nan 8.270 nan 0.000 0.436 321 L N 0.304 121.483 121.223 -0.074 0.000 2.012 321 L HA -0.118 4.135 4.340 -0.145 0.000 0.210 321 L C 1.792 178.489 176.870 -0.288 0.000 1.073 321 L CA 1.800 56.505 54.840 -0.226 0.000 0.748 321 L CB -0.684 41.168 42.059 -0.344 0.000 0.891 321 L HN 0.167 nan 8.230 nan 0.000 0.431 322 F N -0.349 119.433 119.950 -0.279 0.000 2.234 322 F HA -0.128 4.312 4.527 -0.146 0.000 0.299 322 F C 2.746 178.461 175.800 -0.143 0.000 1.087 322 F CA 1.589 59.441 58.000 -0.246 0.000 1.340 322 F CB -0.285 38.551 39.000 -0.273 0.000 1.031 322 F HN 0.085 nan 8.300 nan 0.000 0.500 323 R N 0.356 120.903 120.500 0.078 0.000 2.075 323 R HA -0.185 4.068 4.340 -0.145 0.000 0.232 323 R C 2.321 178.603 176.300 -0.030 0.000 1.126 323 R CA 1.511 57.633 56.100 0.038 0.000 0.963 323 R CB -0.405 29.924 30.300 0.048 0.000 0.858 323 R HN 0.327 nan 8.270 nan 0.000 0.435 324 Q N 0.467 120.226 119.800 -0.067 0.000 2.061 324 Q HA -0.204 4.049 4.340 -0.145 0.000 0.204 324 Q C 2.050 177.961 176.000 -0.149 0.000 0.984 324 Q CA 1.932 57.678 55.803 -0.095 0.000 0.846 324 Q CB -0.124 28.565 28.738 -0.082 0.000 0.902 324 Q HN 0.451 nan 8.270 nan 0.000 0.421 325 L N 0.249 121.344 121.223 -0.213 0.000 2.046 325 L HA -0.221 4.032 4.340 -0.145 0.000 0.208 325 L C 2.519 179.311 176.870 -0.130 0.000 1.077 325 L CA 0.934 55.635 54.840 -0.232 0.000 0.747 325 L CB -0.427 41.339 42.059 -0.488 0.000 0.896 325 L HN 0.311 nan 8.230 nan 0.000 0.432 326 L N -0.575 120.599 121.223 -0.082 0.000 2.056 326 L HA -0.205 4.048 4.340 -0.145 0.000 0.207 326 L C 2.248 179.094 176.870 -0.040 0.000 1.078 326 L CA 1.006 55.830 54.840 -0.027 0.000 0.749 326 L CB -0.545 41.524 42.059 0.016 0.000 0.901 326 L HN 0.252 nan 8.230 nan 0.000 0.433 327 D N -0.483 119.881 120.400 -0.060 0.000 2.144 327 D HA -0.178 4.375 4.640 -0.145 0.000 0.199 327 D C 2.214 178.452 176.300 -0.102 0.000 0.984 327 D CA 1.270 55.232 54.000 -0.064 0.000 0.834 327 D CB 0.089 40.854 40.800 -0.059 0.000 0.955 327 D HN 0.460 nan 8.370 nan 0.000 0.465 328 Q N -1.392 118.293 119.800 -0.192 0.000 2.511 328 Q HA 0.111 4.364 4.340 -0.145 0.000 0.236 328 Q C 0.742 176.579 176.000 -0.271 0.000 0.893 328 Q CA 0.213 55.825 55.803 -0.317 0.000 0.947 328 Q CB 0.425 28.810 28.738 -0.588 0.000 1.110 328 Q HN 0.415 nan 8.270 nan 0.000 0.591 329 H N -0.251 118.820 119.070 0.003 0.000 2.488 329 H HA 0.375 4.844 4.556 -0.145 0.000 0.294 329 H C 1.177 176.524 175.328 0.031 0.000 1.088 329 H CA 0.013 56.086 56.048 0.042 0.000 1.086 329 H CB 0.695 30.507 29.762 0.084 0.000 1.569 329 H HN 0.236 nan 8.280 nan 0.000 0.548 330 A N 1.029 123.902 122.820 0.088 0.000 2.015 330 A HA -0.188 4.045 4.320 -0.145 0.000 0.219 330 A C 2.095 179.722 177.584 0.071 0.000 1.163 330 A CA 1.575 53.646 52.037 0.058 0.000 0.646 330 A CB -0.126 18.890 19.000 0.026 0.000 0.806 330 A HN 0.629 nan 8.150 nan 0.000 0.448 331 D N -0.165 120.285 120.400 0.083 0.000 2.348 331 D HA -0.119 4.434 4.640 -0.145 0.000 0.216 331 D C 1.271 177.622 176.300 0.084 0.000 0.970 331 D CA 1.647 55.688 54.000 0.069 0.000 0.889 331 D CB -0.628 40.206 40.800 0.058 0.000 0.912 331 D HN 0.453 nan 8.370 nan 0.000 0.524 332 T N -2.068 112.566 114.554 0.132 0.000 3.145 332 T HA 0.277 4.540 4.350 -0.145 0.000 0.255 332 T C 1.565 176.377 174.700 0.186 0.000 1.039 332 T CA -0.400 61.789 62.100 0.149 0.000 0.928 332 T CB -0.220 68.747 68.868 0.166 0.000 1.029 332 T HN 0.116 nan 8.240 nan 0.000 0.554 333 L N 0.519 121.824 121.223 0.136 0.000 2.808 333 L HA 0.443 4.696 4.340 -0.145 0.000 0.246 333 L C 1.749 178.668 176.870 0.081 0.000 1.153 333 L CA 0.021 54.929 54.840 0.112 0.000 0.956 333 L CB -0.109 41.985 42.059 0.059 0.000 1.270 333 L HN 0.521 nan 8.230 nan 0.000 0.528 334 G N 0.687 109.526 108.800 0.065 0.000 2.179 334 G HA2 -0.243 3.630 3.960 -0.145 0.000 0.257 334 G HA3 -0.243 3.630 3.960 -0.145 0.000 0.257 334 G C 0.893 175.801 174.900 0.013 0.000 1.010 334 G CA 0.411 45.535 45.100 0.040 0.000 0.736 334 G HN 0.716 nan 8.290 nan 0.000 0.513 335 G N -2.002 106.806 108.800 0.013 0.000 2.165 335 G HA2 0.057 3.930 3.960 -0.145 0.000 0.226 335 G HA3 0.057 3.930 3.960 -0.145 0.000 0.226 335 G C 0.345 175.238 174.900 -0.010 0.000 1.035 335 G CA 0.361 45.457 45.100 -0.007 0.000 0.744 335 G HN 1.820 nan 8.290 nan 0.000 0.501 336 L N 0.659 121.891 121.223 0.014 0.000 2.490 336 L HA 0.568 4.821 4.340 -0.145 0.000 0.274 336 L C 0.289 177.163 176.870 0.007 0.000 1.201 336 L CA 0.063 54.917 54.840 0.023 0.000 0.869 336 L CB 1.260 43.364 42.059 0.076 0.000 1.123 336 L HN 0.198 nan 8.230 nan 0.000 0.484 337 V N 5.359 125.259 119.914 -0.023 0.000 2.483 337 V HA 0.841 4.874 4.120 -0.145 0.000 0.297 337 V C -0.130 175.920 176.094 -0.073 0.000 1.027 337 V CA -0.214 62.059 62.300 -0.047 0.000 0.855 337 V CB 1.083 32.856 31.823 -0.084 0.000 0.995 337 V HN 1.010 nan 8.190 nan 0.000 0.424 338 A N 3.718 126.503 122.820 -0.058 0.000 2.398 338 A HA 0.901 5.134 4.320 -0.145 0.000 0.301 338 A C -0.049 177.480 177.584 -0.091 0.000 1.041 338 A CA -0.336 51.639 52.037 -0.104 0.000 0.711 338 A CB 1.561 20.479 19.000 -0.137 0.000 1.240 338 A HN 1.411 nan 8.150 nan 0.000 0.420 339 A N 1.689 124.405 122.820 -0.173 0.000 2.491 339 A HA 0.566 4.799 4.320 -0.145 0.000 0.261 339 A C 0.800 178.251 177.584 -0.222 0.000 1.101 339 A CA 0.472 52.437 52.037 -0.121 0.000 0.772 339 A CB -0.381 18.560 19.000 -0.099 0.000 1.043 339 A HN 2.160 nan 8.150 nan 0.000 0.501 340 A N 3.022 125.819 122.820 -0.039 0.000 2.371 340 A HA 0.519 4.752 4.320 -0.145 0.000 0.257 340 A C 0.234 177.778 177.584 -0.067 0.000 1.089 340 A CA -0.333 51.735 52.037 0.051 0.000 0.794 340 A CB 0.180 19.262 19.000 0.137 0.000 1.029 340 A HN 0.802 nan 8.150 nan 0.000 0.488 341 E N 2.396 122.592 120.200 -0.006 0.000 2.916 341 E HA 0.199 4.462 4.350 -0.145 0.000 0.217 341 E C -2.111 174.549 176.600 0.100 0.000 1.100 341 E CA -1.483 54.898 56.400 -0.032 0.000 0.891 341 E CB 1.190 30.786 29.700 -0.172 0.000 1.311 341 E HN 0.501 nan 8.360 nan 0.000 0.421 342 P HA 0.066 nan 4.420 nan 0.000 0.245 342 P C 0.313 177.621 177.300 0.014 0.000 1.206 342 P CA 0.256 63.395 63.100 0.066 0.000 0.781 342 P CB 0.738 32.485 31.700 0.078 0.000 0.994 343 G N -0.908 107.872 108.800 -0.033 0.000 2.620 343 G HA2 0.557 4.430 3.960 -0.145 0.000 0.301 343 G HA3 0.557 4.430 3.960 -0.145 0.000 0.301 343 G C -1.954 173.017 174.900 0.119 0.000 1.347 343 G CA -0.381 44.718 45.100 -0.002 0.000 0.971 343 G HN -0.117 nan 8.290 nan 0.000 0.488 344 V N 0.859 120.891 119.914 0.196 0.000 2.711 344 V HA 0.643 4.676 4.120 -0.145 0.000 0.304 344 V C -0.878 175.329 176.094 0.188 0.000 1.097 344 V CA -0.717 61.713 62.300 0.218 0.000 0.906 344 V CB 1.753 33.661 31.823 0.141 0.000 1.015 344 V HN 0.755 nan 8.190 nan 0.000 0.427 345 V N 4.827 124.789 119.914 0.080 0.000 2.823 345 V HA 0.981 5.014 4.120 -0.145 0.000 0.312 345 V C -0.328 175.738 176.094 -0.048 0.000 1.072 345 V CA 0.197 62.478 62.300 -0.031 0.000 0.937 345 V CB 2.557 34.257 31.823 -0.205 0.000 1.013 345 V HN 1.159 nan 8.190 nan 0.000 0.430 346 S N 4.453 120.199 115.700 0.077 0.000 2.638 346 S HA 0.779 5.162 4.470 -0.145 0.000 0.274 346 S C -1.626 173.157 174.600 0.305 0.000 1.157 346 S CA -0.748 57.531 58.200 0.131 0.000 0.826 346 S CB 1.862 65.134 63.200 0.119 0.000 1.139 346 S HN 1.111 nan 8.310 nan 0.000 0.474 347 W N 1.360 122.730 121.300 0.117 0.000 3.022 347 W HA 0.716 5.288 4.660 -0.146 0.000 0.335 347 W C -1.179 175.426 176.519 0.144 0.000 1.133 347 W CA 0.110 57.514 57.345 0.099 0.000 1.219 347 W CB 2.076 31.530 29.460 -0.011 0.000 1.409 347 W HN 1.278 nan 8.180 nan 0.000 0.507 348 S N 4.089 119.198 115.700 -0.985 0.000 2.537 348 S HA 0.620 5.003 4.470 -0.145 0.000 0.271 348 S C -3.141 170.463 174.600 -1.661 0.000 1.148 348 S CA -1.525 55.987 58.200 -1.148 0.000 0.868 348 S CB 2.135 65.170 63.200 -0.275 0.000 1.115 348 S HN 0.187 nan 8.310 nan 0.000 0.461 349 P HA 0.227 nan 4.420 nan 0.000 0.265 349 P C 0.853 177.845 177.300 -0.513 0.000 1.193 349 P CA 0.118 62.687 63.100 -0.884 0.000 0.765 349 P CB 0.381 31.784 31.700 -0.496 0.000 0.823 350 A N 4.394 127.004 122.820 -0.349 0.000 1.978 350 A HA -0.183 4.050 4.320 -0.145 0.000 0.220 350 A C 2.028 179.519 177.584 -0.154 0.000 1.170 350 A CA 2.133 54.038 52.037 -0.219 0.000 0.636 350 A CB -1.365 17.550 19.000 -0.143 0.000 0.810 350 A HN 0.551 nan 8.150 nan 0.000 0.448 351 A N -0.573 122.167 122.820 -0.133 0.000 2.123 351 A HA 0.541 4.774 4.320 -0.145 0.000 0.214 351 A C 1.448 178.976 177.584 -0.093 0.000 1.152 351 A CA 0.766 52.749 52.037 -0.090 0.000 0.728 351 A CB -0.838 18.128 19.000 -0.057 0.000 0.814 351 A HN 1.072 nan 8.150 nan 0.000 0.464 352 A N 0.179 122.922 122.820 -0.130 0.000 2.531 352 A HA 0.471 4.704 4.320 -0.145 0.000 0.236 352 A C 0.947 178.472 177.584 -0.097 0.000 1.062 352 A CA 0.307 52.285 52.037 -0.098 0.000 0.760 352 A CB -0.314 18.616 19.000 -0.116 0.000 0.995 352 A HN 0.786 nan 8.150 nan 0.000 0.501 353 G N -0.452 108.302 108.800 -0.076 0.000 2.547 353 G HA2 0.369 4.242 3.960 -0.145 0.000 0.291 353 G HA3 0.369 4.242 3.960 -0.145 0.000 0.291 353 G C 0.683 175.488 174.900 -0.158 0.000 1.211 353 G CA 0.174 45.215 45.100 -0.099 0.000 0.950 353 G HN 0.876 nan 8.290 nan 0.000 0.504 354 E N -0.556 119.516 120.200 -0.213 0.000 2.070 354 E HA -0.186 4.077 4.350 -0.145 0.000 0.197 354 E C 2.353 178.641 176.600 -0.520 0.000 1.004 354 E CA 1.098 57.239 56.400 -0.431 0.000 0.805 354 E CB -0.053 29.441 29.700 -0.344 0.000 0.744 354 E HN 0.449 nan 8.360 nan 0.000 0.451 355 L N 0.870 121.962 121.223 -0.217 0.000 2.017 355 L HA -0.219 4.034 4.340 -0.145 0.000 0.208 355 L C 1.952 178.837 176.870 0.026 0.000 1.073 355 L CA 1.811 56.611 54.840 -0.066 0.000 0.745 355 L CB -0.162 41.895 42.059 -0.004 0.000 0.894 355 L HN 0.080 nan 8.230 nan 0.000 0.432 356 D N -1.142 119.278 120.400 0.033 0.000 2.144 356 D HA -0.178 4.374 4.640 -0.145 0.000 0.200 356 D C 2.345 178.839 176.300 0.323 0.000 0.978 356 D CA 1.336 55.447 54.000 0.185 0.000 0.833 356 D CB 0.018 40.919 40.800 0.169 0.000 0.961 356 D HN 0.279 nan 8.370 nan 0.000 0.470 357 S N -0.793 114.948 115.700 0.069 0.000 2.382 357 S HA -0.174 4.209 4.470 -0.145 0.000 0.228 357 S C 1.727 176.385 174.600 0.096 0.000 1.027 357 S CA 1.210 59.413 58.200 0.005 0.000 0.991 357 S CB -0.225 62.846 63.200 -0.217 0.000 0.823 357 S HN 0.439 nan 8.310 nan 0.000 0.469 358 H N -2.149 116.945 119.070 0.040 0.000 2.363 358 H HA -0.049 4.420 4.556 -0.145 0.000 0.301 358 H C 1.870 177.309 175.328 0.186 0.000 1.074 358 H CA 1.251 57.334 56.048 0.058 0.000 1.354 358 H CB -0.222 29.596 29.762 0.094 0.000 1.397 358 H HN 0.591 nan 8.280 nan 0.000 0.516 359 W N 1.418 122.837 121.300 0.197 0.000 2.332 359 W HA -0.267 4.305 4.660 -0.146 0.000 0.321 359 W C 1.617 178.200 176.519 0.106 0.000 1.219 359 W CA 1.575 58.981 57.345 0.101 0.000 1.277 359 W CB -0.760 28.700 29.460 0.001 0.000 1.161 359 W HN -0.002 nan 8.180 nan 0.000 0.476 360 F N 0.781 120.894 119.950 0.271 0.000 2.091 360 F HA -0.254 4.187 4.527 -0.144 0.000 0.299 360 F C 2.619 178.406 175.800 -0.020 0.000 1.103 360 F CA 2.554 60.637 58.000 0.138 0.000 1.228 360 F CB -0.944 38.213 39.000 0.262 0.000 0.984 360 F HN -0.162 nan 8.300 nan 0.000 0.477 361 R N -0.350 120.270 120.500 0.199 0.000 2.092 361 R HA -0.172 4.081 4.340 -0.145 0.000 0.231 361 R C 2.132 178.427 176.300 -0.009 0.000 1.119 361 R CA 1.419 57.574 56.100 0.091 0.000 0.970 361 R CB -0.483 29.846 30.300 0.049 0.000 0.864 361 R HN 0.349 nan 8.270 nan 0.000 0.440 362 E N 0.491 120.658 120.200 -0.055 0.000 2.110 362 E HA -0.207 4.056 4.350 -0.145 0.000 0.193 362 E C 1.853 178.304 176.600 -0.248 0.000 0.988 362 E CA 1.115 57.427 56.400 -0.148 0.000 0.804 362 E CB 0.270 29.878 29.700 -0.153 0.000 0.745 362 E HN 0.257 nan 8.360 nan 0.000 0.458 363 Q N -0.722 118.847 119.800 -0.386 0.000 2.212 363 Q HA -0.049 4.204 4.340 -0.145 0.000 0.199 363 Q C 2.037 177.770 176.000 -0.445 0.000 0.950 363 Q CA 1.673 57.188 55.803 -0.480 0.000 0.863 363 Q CB 0.295 28.609 28.738 -0.707 0.000 0.944 363 Q HN 0.387 nan 8.270 nan 0.000 0.465 364 T N -2.516 111.841 114.554 -0.328 0.000 3.105 364 T HA 0.283 4.546 4.350 -0.145 0.000 0.253 364 T C 0.866 175.465 174.700 -0.168 0.000 1.047 364 T CA 0.023 61.952 62.100 -0.285 0.000 0.944 364 T CB 0.037 68.833 68.868 -0.119 0.000 1.016 364 T HN 0.116 nan 8.240 nan 0.000 0.544 365 G N 0.250 108.969 108.800 -0.135 0.000 2.313 365 G HA2 0.481 4.354 3.960 -0.145 0.000 0.250 365 G HA3 0.481 4.354 3.960 -0.145 0.000 0.250 365 G C 0.099 174.940 174.900 -0.098 0.000 1.281 365 G CA -0.174 44.872 45.100 -0.091 0.000 0.917 365 G HN 0.649 nan 8.290 nan 0.000 0.501 366 G N 0.518 109.241 108.800 -0.129 0.000 2.638 366 G HA2 0.590 4.463 3.960 -0.145 0.000 0.302 366 G HA3 0.590 4.463 3.960 -0.145 0.000 0.302 366 G C -1.121 173.907 174.900 0.212 0.000 1.365 366 G CA -0.721 44.334 45.100 -0.076 0.000 0.987 366 G HN 0.648 nan 8.290 nan 0.000 0.495 367 I N 1.198 122.028 120.570 0.432 0.000 2.498 367 I HA 0.344 4.427 4.170 -0.145 0.000 0.290 367 I C -0.346 175.916 176.117 0.243 0.000 1.032 367 I CA -0.606 60.905 61.300 0.352 0.000 1.073 367 I CB 2.343 40.441 38.000 0.163 0.000 1.251 367 I HN 0.162 nan 8.210 nan 0.000 0.426 368 L N 6.229 127.447 121.223 -0.009 0.000 2.276 368 L HA 0.520 4.773 4.340 -0.145 0.000 0.286 368 L C 0.126 176.963 176.870 -0.055 0.000 1.061 368 L CA -0.341 54.341 54.840 -0.263 0.000 0.807 368 L CB 0.955 42.568 42.059 -0.743 0.000 1.177 368 L HN 0.580 nan 8.230 nan 0.000 0.429 369 R N 3.480 124.037 120.500 0.094 0.000 2.589 369 R HA 0.246 4.499 4.340 -0.145 0.000 0.293 369 R C -0.223 176.276 176.300 0.333 0.000 0.963 369 R CA -0.695 55.475 56.100 0.118 0.000 0.905 369 R CB 1.509 31.809 30.300 0.001 0.000 1.144 369 R HN 0.634 nan 8.270 nan 0.000 0.459 370 E N 3.160 123.512 120.200 0.253 0.000 2.480 370 E HA -0.152 4.111 4.350 -0.145 0.000 0.258 370 E C -0.718 176.029 176.600 0.244 0.000 0.984 370 E CA -0.025 56.501 56.400 0.210 0.000 0.930 370 E CB 0.515 30.295 29.700 0.134 0.000 0.936 370 E HN 0.465 nan 8.360 nan 0.000 0.466 371 N N 5.332 124.003 118.700 -0.049 0.000 2.498 371 N HA -0.065 4.588 4.740 -0.145 0.000 0.277 371 N C 0.438 175.810 175.510 -0.231 0.000 1.208 371 N CA -0.198 52.679 53.050 -0.288 0.000 1.029 371 N CB -0.445 37.697 38.487 -0.575 0.000 1.403 371 N HN 0.519 nan 8.380 nan 0.000 0.500 372 F N 0.413 120.408 119.950 0.074 0.000 2.408 372 F HA -0.031 4.409 4.527 -0.146 0.000 0.300 372 F C 1.957 177.705 175.800 -0.088 0.000 1.090 372 F CA -0.213 57.769 58.000 -0.029 0.000 1.427 372 F CB -1.047 37.931 39.000 -0.036 0.000 1.070 372 F HN 0.285 nan 8.300 nan 0.000 0.549 373 C N 1.450 120.546 119.300 -0.339 0.000 2.419 373 C HA -0.100 4.273 4.460 -0.145 0.000 0.283 373 C C 2.753 177.683 174.990 -0.100 0.000 1.373 373 C CA 0.765 59.664 59.018 -0.198 0.000 1.781 373 C CB -1.377 26.204 27.740 -0.265 0.000 1.886 373 C HN 0.517 nan 8.230 nan 0.000 0.520 374 R N 0.588 121.017 120.500 -0.119 0.000 2.115 374 R HA -0.065 4.188 4.340 -0.145 0.000 0.226 374 R C 2.289 178.556 176.300 -0.055 0.000 1.100 374 R CA 0.918 56.960 56.100 -0.098 0.000 0.980 374 R CB -0.302 29.911 30.300 -0.144 0.000 0.875 374 R HN 0.550 nan 8.270 nan 0.000 0.445 375 R N 1.104 121.589 120.500 -0.026 0.000 2.189 375 R HA -0.023 4.230 4.340 -0.145 0.000 0.203 375 R C 1.545 177.850 176.300 0.008 0.000 1.012 375 R CA 1.613 57.712 56.100 -0.003 0.000 1.015 375 R CB 0.274 30.585 30.300 0.019 0.000 0.938 375 R HN 0.250 nan 8.270 nan 0.000 0.472 376 T N -3.977 110.594 114.554 0.028 0.000 2.969 376 T HA 0.310 4.573 4.350 -0.145 0.000 0.250 376 T C 0.623 175.318 174.700 -0.008 0.000 1.021 376 T CA 0.265 62.382 62.100 0.028 0.000 1.003 376 T CB 0.899 69.822 68.868 0.092 0.000 1.040 376 T HN 0.308 nan 8.240 nan 0.000 0.492 377 G N 0.993 109.779 108.800 -0.024 0.000 3.383 377 G HA2 0.291 4.164 3.960 -0.145 0.000 0.685 377 G HA3 0.291 4.164 3.960 -0.145 0.000 0.685 377 G C 0.728 175.576 174.900 -0.087 0.000 1.104 377 G CA -0.345 44.723 45.100 -0.053 0.000 0.957 377 G HN 0.812 nan 8.290 nan 0.000 0.461 378 A N 1.993 124.735 122.820 -0.130 0.000 1.915 378 A HA -0.134 4.099 4.320 -0.145 0.000 0.220 378 A C 2.225 179.573 177.584 -0.394 0.000 1.198 378 A CA 2.421 54.284 52.037 -0.290 0.000 0.647 378 A CB -0.180 18.587 19.000 -0.389 0.000 0.825 378 A HN 1.652 nan 8.150 nan 0.000 0.456 379 E N 0.247 120.279 120.200 -0.279 0.000 2.511 379 E HA -0.082 4.181 4.350 -0.145 0.000 0.196 379 E C 1.202 177.767 176.600 -0.058 0.000 1.066 379 E CA 0.534 56.873 56.400 -0.102 0.000 0.871 379 E CB -0.265 29.463 29.700 0.047 0.000 0.863 379 E HN 0.727 nan 8.360 nan 0.000 0.520 380 R N 0.058 120.472 120.500 -0.143 0.000 2.397 380 R HA 0.283 4.536 4.340 -0.145 0.000 0.241 380 R C -0.082 176.110 176.300 -0.180 0.000 0.914 380 R CA -0.046 55.846 56.100 -0.346 0.000 1.071 380 R CB 0.813 30.957 30.300 -0.260 0.000 1.116 380 R HN -0.094 nan 8.270 nan 0.000 0.524 381 S N 1.223 116.934 115.700 0.019 0.000 2.659 381 S HA 0.516 4.899 4.470 -0.145 0.000 0.312 381 S C -0.654 174.108 174.600 0.270 0.000 1.114 381 S CA -0.556 57.741 58.200 0.161 0.000 1.063 381 S CB 1.558 64.868 63.200 0.183 0.000 0.996 381 S HN 0.085 nan 8.310 nan 0.000 0.478 382 I N 3.137 123.843 120.570 0.228 0.000 2.499 382 I HA 0.346 4.429 4.170 -0.145 0.000 0.288 382 I C -0.121 176.041 176.117 0.075 0.000 1.048 382 I CA -0.535 60.830 61.300 0.108 0.000 1.062 382 I CB 1.810 39.796 38.000 -0.022 0.000 1.238 382 I HN 0.438 nan 8.210 nan 0.000 0.426 383 M N 4.950 124.563 119.600 0.022 0.000 2.252 383 M HA 0.145 4.538 4.480 -0.145 0.000 0.348 383 M C 1.103 177.347 176.300 -0.092 0.000 1.334 383 M CA 0.401 55.701 55.300 -0.000 0.000 1.071 383 M CB 1.365 33.926 32.600 -0.065 0.000 1.763 383 M HN 0.909 nan 8.290 nan 0.000 0.452 384 A N 4.909 127.697 122.820 -0.053 0.000 1.972 384 A HA -0.044 4.188 4.320 -0.145 0.000 0.219 384 A C 1.807 179.309 177.584 -0.136 0.000 1.169 384 A CA 1.921 53.900 52.037 -0.096 0.000 0.635 384 A CB -1.149 17.894 19.000 0.073 0.000 0.810 384 A HN 1.035 nan 8.150 nan 0.000 0.446 385 G N -1.165 107.578 108.800 -0.096 0.000 2.432 385 G HA2 -0.114 3.759 3.960 -0.145 0.000 0.219 385 G HA3 -0.114 3.759 3.960 -0.145 0.000 0.219 385 G C 1.499 176.336 174.900 -0.104 0.000 1.135 385 G CA 1.619 46.674 45.100 -0.075 0.000 0.767 385 G HN 0.461 nan 8.290 nan 0.000 0.550 386 T N 0.956 115.400 114.554 -0.184 0.000 2.896 386 T HA -0.025 4.238 4.350 -0.145 0.000 0.263 386 T C 2.191 176.725 174.700 -0.278 0.000 1.050 386 T CA 0.714 62.675 62.100 -0.233 0.000 1.140 386 T CB -0.148 68.543 68.868 -0.295 0.000 0.877 386 T HN 0.116 nan 8.240 nan 0.000 0.457 387 L N 0.567 121.543 121.223 -0.411 0.000 2.129 387 L HA -0.011 4.242 4.340 -0.145 0.000 0.212 387 L C 0.835 177.279 176.870 -0.710 0.000 1.087 387 L CA 1.785 56.208 54.840 -0.696 0.000 0.757 387 L CB -0.529 40.959 42.059 -0.952 0.000 0.896 387 L HN 0.206 nan 8.230 nan 0.000 0.434 388 F N -1.110 118.763 119.950 -0.128 0.000 2.683 388 F HA 0.510 4.950 4.527 -0.146 0.000 0.306 388 F C 1.028 176.803 175.800 -0.041 0.000 1.102 388 F CA -0.336 57.607 58.000 -0.096 0.000 1.244 388 F CB -0.999 37.940 39.000 -0.102 0.000 1.029 388 F HN -0.005 nan 8.300 nan 0.000 0.545 389 A N 0.551 123.415 122.820 0.073 0.000 2.240 389 A HA 0.758 4.991 4.320 -0.145 0.000 0.292 389 A C 0.451 178.128 177.584 0.156 0.000 1.121 389 A CA -0.508 51.597 52.037 0.113 0.000 0.851 389 A CB 0.670 19.701 19.000 0.051 0.000 1.167 389 A HN 0.035 nan 8.150 nan 0.000 0.503 390 R N -0.749 119.910 120.500 0.265 0.000 2.598 390 R HA 0.552 4.805 4.340 -0.145 0.000 0.279 390 R C 0.598 177.173 176.300 0.458 0.000 0.984 390 R CA -0.082 56.197 56.100 0.298 0.000 0.999 390 R CB 0.709 31.156 30.300 0.244 0.000 1.114 390 R HN 0.873 nan 8.270 nan 0.000 0.493 391 G N -0.565 108.461 108.800 0.376 0.000 2.531 391 G HA2 0.292 4.165 3.960 -0.145 0.000 0.281 391 G HA3 0.292 4.165 3.960 -0.145 0.000 0.281 391 G C 0.878 176.035 174.900 0.430 0.000 1.382 391 G CA -0.186 45.173 45.100 0.432 0.000 1.045 391 G HN 0.315 nan 8.290 nan 0.000 0.533 392 V N -1.108 118.895 119.914 0.148 0.000 2.720 392 V HA -0.056 3.977 4.120 -0.145 0.000 0.256 392 V C 1.712 177.846 176.094 0.067 0.000 1.082 392 V CA 2.099 64.382 62.300 -0.028 0.000 1.101 392 V CB -0.770 30.884 31.823 -0.281 0.000 0.693 392 V HN 0.632 nan 8.190 nan 0.000 0.479 393 D N 0.051 120.499 120.400 0.079 0.000 2.319 393 D HA 0.032 4.585 4.640 -0.145 0.000 0.230 393 D C 1.091 177.425 176.300 0.056 0.000 1.094 393 D CA -0.334 53.694 54.000 0.048 0.000 0.856 393 D CB -0.522 40.295 40.800 0.029 0.000 0.915 393 D HN 0.441 nan 8.370 nan 0.000 0.517 394 L N -1.014 120.270 121.223 0.102 0.000 3.858 394 L HA -0.257 3.996 4.340 -0.145 0.000 0.425 394 L C -0.345 176.560 176.870 0.059 0.000 1.177 394 L CA 0.765 55.626 54.840 0.035 0.000 0.943 394 L CB -1.107 40.900 42.059 -0.088 0.000 1.861 394 L HN 0.256 nan 8.230 nan 0.000 0.985 395 Q N -0.492 119.357 119.800 0.082 0.000 2.306 395 Q HA 0.481 4.733 4.340 -0.145 0.000 0.265 395 Q C -2.190 173.863 176.000 0.087 0.000 1.022 395 Q CA -2.142 53.694 55.803 0.055 0.000 0.853 395 Q CB 1.372 30.127 28.738 0.028 0.000 1.327 395 Q HN -0.127 nan 8.270 nan 0.000 0.449 396 P HA 0.086 nan 4.420 nan 0.000 0.262 396 P C 0.371 177.701 177.300 0.050 0.000 1.199 396 P CA 0.514 63.662 63.100 0.079 0.000 0.763 396 P CB 0.377 32.117 31.700 0.068 0.000 0.790 397 M N 3.075 122.702 119.600 0.045 0.000 2.319 397 M HA -0.082 4.311 4.480 -0.145 0.000 0.265 397 M C 1.809 178.117 176.300 0.013 0.000 1.068 397 M CA 1.260 56.579 55.300 0.031 0.000 1.118 397 M CB -0.426 32.180 32.600 0.011 0.000 1.395 397 M HN 0.322 nan 8.290 nan 0.000 0.435 398 I N 0.729 121.270 120.570 -0.049 0.000 2.423 398 I HA -0.294 3.789 4.170 -0.145 0.000 0.254 398 I C 2.430 178.535 176.117 -0.020 0.000 1.151 398 I CA 1.487 62.740 61.300 -0.078 0.000 1.421 398 I CB -0.126 37.774 38.000 -0.168 0.000 1.079 398 I HN 0.294 nan 8.210 nan 0.000 0.431 399 Q N -0.148 119.637 119.800 -0.025 0.000 2.046 399 Q HA -0.164 4.089 4.340 -0.145 0.000 0.200 399 Q C 2.318 178.306 176.000 -0.020 0.000 0.975 399 Q CA 2.380 58.154 55.803 -0.048 0.000 0.836 399 Q CB -0.885 27.828 28.738 -0.042 0.000 0.896 399 Q HN 0.675 nan 8.270 nan 0.000 0.428 400 T N -1.446 113.123 114.554 0.026 0.000 2.942 400 T HA -0.064 4.199 4.350 -0.145 0.000 0.265 400 T C 1.723 176.456 174.700 0.055 0.000 1.062 400 T CA 0.551 62.668 62.100 0.028 0.000 1.139 400 T CB -0.518 68.374 68.868 0.039 0.000 0.883 400 T HN 0.152 nan 8.240 nan 0.000 0.468 401 F N 2.383 122.304 119.950 -0.047 0.000 2.069 401 F HA 0.076 4.516 4.527 -0.144 0.000 0.298 401 F C 1.917 177.749 175.800 0.053 0.000 1.113 401 F CA 1.179 59.177 58.000 -0.004 0.000 1.214 401 F CB -0.457 38.522 39.000 -0.035 0.000 0.978 401 F HN 0.040 nan 8.300 nan 0.000 0.474 402 L N -0.178 121.022 121.223 -0.038 0.000 2.093 402 L HA -0.157 4.096 4.340 -0.145 0.000 0.208 402 L C 2.645 179.459 176.870 -0.093 0.000 1.085 402 L CA 1.404 56.133 54.840 -0.185 0.000 0.755 402 L CB -0.719 41.084 42.059 -0.426 0.000 0.904 402 L HN 0.102 nan 8.230 nan 0.000 0.435 403 R N 0.326 120.771 120.500 -0.090 0.000 2.083 403 R HA -0.183 4.070 4.340 -0.145 0.000 0.237 403 R C 2.476 178.758 176.300 -0.030 0.000 1.137 403 R CA 2.256 58.330 56.100 -0.043 0.000 0.951 403 R CB -0.383 29.890 30.300 -0.045 0.000 0.851 403 R HN 0.498 nan 8.270 nan 0.000 0.434 404 T N -1.809 112.680 114.554 -0.109 0.000 2.788 404 T HA -0.161 4.102 4.350 -0.145 0.000 0.268 404 T C 1.695 176.260 174.700 -0.224 0.000 1.044 404 T CA 1.319 63.306 62.100 -0.189 0.000 1.139 404 T CB -0.460 68.239 68.868 -0.280 0.000 0.867 404 T HN 0.339 nan 8.240 nan 0.000 0.454 405 H N -0.333 118.683 119.070 -0.089 0.000 2.415 405 H HA 0.145 4.614 4.556 -0.145 0.000 0.297 405 H C 1.786 177.136 175.328 0.038 0.000 1.048 405 H CA 1.130 57.150 56.048 -0.046 0.000 1.365 405 H CB -0.173 29.512 29.762 -0.128 0.000 1.421 405 H HN 0.546 nan 8.280 nan 0.000 0.533 406 Y N -0.353 119.964 120.300 0.028 0.000 2.420 406 Y HA 0.080 4.543 4.550 -0.145 0.000 0.292 406 Y C 1.995 177.897 175.900 0.004 0.000 1.119 406 Y CA 0.442 58.561 58.100 0.031 0.000 1.229 406 Y CB 0.671 39.151 38.460 0.033 0.000 1.026 406 Y HN 0.330 nan 8.280 nan 0.000 0.554 407 G N 0.406 109.275 108.800 0.115 0.000 2.176 407 G HA2 -0.225 3.648 3.960 -0.145 0.000 0.232 407 G HA3 -0.225 3.648 3.960 -0.145 0.000 0.232 407 G C -0.075 174.848 174.900 0.038 0.000 0.986 407 G CA 0.239 45.365 45.100 0.042 0.000 0.643 407 G HN 0.442 nan 8.290 nan 0.000 0.522 408 E N -0.997 119.239 120.200 0.059 0.000 2.416 408 E HA 0.663 4.926 4.350 -0.145 0.000 0.280 408 E C -0.089 176.526 176.600 0.025 0.000 1.055 408 E CA -0.572 55.849 56.400 0.035 0.000 0.825 408 E CB 0.731 30.455 29.700 0.040 0.000 1.312 408 E HN 1.318 nan 8.360 nan 0.000 0.452 409 A N 1.546 124.367 122.820 0.002 0.000 2.511 409 A HA 0.345 4.578 4.320 -0.145 0.000 0.242 409 A C -0.284 177.287 177.584 -0.023 0.000 1.069 409 A CA -0.260 51.765 52.037 -0.019 0.000 0.763 409 A CB -0.145 18.842 19.000 -0.021 0.000 1.001 409 A HN 0.381 nan 8.150 nan 0.000 0.498 410 L N 3.436 124.622 121.223 -0.062 0.000 2.319 410 L HA 0.251 4.504 4.340 -0.145 0.000 0.280 410 L C 0.641 177.484 176.870 -0.045 0.000 1.099 410 L CA 0.062 54.855 54.840 -0.078 0.000 0.828 410 L CB 0.749 42.697 42.059 -0.184 0.000 1.150 410 L HN 0.852 nan 8.230 nan 0.000 0.442 411 D N 0.790 121.179 120.400 -0.017 0.000 2.447 411 D HA 0.053 4.606 4.640 -0.145 0.000 0.265 411 D C 0.473 176.775 176.300 0.004 0.000 1.250 411 D CA -0.443 53.554 54.000 -0.005 0.000 1.046 411 D CB 0.516 41.320 40.800 0.006 0.000 1.095 411 D HN 0.385 nan 8.370 nan 0.000 0.555 412 D N -0.774 119.633 120.400 0.012 0.000 2.123 412 D HA -0.158 4.395 4.640 -0.145 0.000 0.196 412 D C 1.450 177.784 176.300 0.057 0.000 0.992 412 D CA 1.220 55.234 54.000 0.023 0.000 0.833 412 D CB -0.338 40.474 40.800 0.020 0.000 0.954 412 D HN 0.351 nan 8.370 nan 0.000 0.455 413 N N 0.304 119.042 118.700 0.064 0.000 2.188 413 N HA -0.045 4.608 4.740 -0.145 0.000 0.184 413 N C 1.617 177.216 175.510 0.150 0.000 1.018 413 N CA 1.215 54.327 53.050 0.103 0.000 0.858 413 N CB -0.362 38.166 38.487 0.068 0.000 0.989 413 N HN 0.143 nan 8.380 nan 0.000 0.426 414 A N 0.690 123.571 122.820 0.102 0.000 1.898 414 A HA -0.014 4.219 4.320 -0.145 0.000 0.216 414 A C 2.247 179.941 177.584 0.183 0.000 1.181 414 A CA 0.866 52.982 52.037 0.133 0.000 0.620 414 A CB -0.708 18.323 19.000 0.051 0.000 0.819 414 A HN 0.206 nan 8.150 nan 0.000 0.442 415 L N -0.690 120.595 121.223 0.102 0.000 2.046 415 L HA -0.162 4.091 4.340 -0.145 0.000 0.208 415 L C 2.544 179.571 176.870 0.261 0.000 1.077 415 L CA 1.017 55.928 54.840 0.117 0.000 0.747 415 L CB -0.470 41.598 42.059 0.016 0.000 0.896 415 L HN 0.368 nan 8.230 nan 0.000 0.432 416 L N -1.945 119.415 121.223 0.228 0.000 2.093 416 L HA -0.255 3.998 4.340 -0.145 0.000 0.208 416 L C 2.535 179.619 176.870 0.357 0.000 1.085 416 L CA 1.253 56.251 54.840 0.263 0.000 0.755 416 L CB -0.575 41.596 42.059 0.185 0.000 0.904 416 L HN 0.170 nan 8.230 nan 0.000 0.435 417 Y N -0.894 119.538 120.300 0.219 0.000 2.200 417 Y HA -0.307 4.156 4.550 -0.145 0.000 0.290 417 Y C 2.375 178.425 175.900 0.250 0.000 1.137 417 Y CA 1.549 59.772 58.100 0.203 0.000 1.163 417 Y CB -0.318 38.256 38.460 0.190 0.000 0.988 417 Y HN 0.168 nan 8.280 nan 0.000 0.518 418 W N -0.390 121.097 121.300 0.312 0.000 2.355 418 W HA -0.305 4.268 4.660 -0.146 0.000 0.309 418 W C 2.269 178.922 176.519 0.223 0.000 1.206 418 W CA 2.258 59.755 57.345 0.253 0.000 1.284 418 W CB -0.816 28.756 29.460 0.186 0.000 1.145 418 W HN 0.174 nan 8.180 nan 0.000 0.502 419 F N 1.231 121.460 119.950 0.465 0.000 2.134 419 F HA -0.243 4.197 4.527 -0.146 0.000 0.299 419 F C 2.140 177.999 175.800 0.098 0.000 1.097 419 F CA 2.370 60.556 58.000 0.310 0.000 1.264 419 F CB -0.667 38.450 39.000 0.196 0.000 1.001 419 F HN -0.188 nan 8.300 nan 0.000 0.479 420 D N 0.416 120.796 120.400 -0.034 0.000 2.117 420 D HA -0.193 4.360 4.640 -0.145 0.000 0.197 420 D C 1.768 177.883 176.300 -0.307 0.000 0.987 420 D CA 1.641 55.520 54.000 -0.203 0.000 0.829 420 D CB -0.342 40.380 40.800 -0.128 0.000 0.961 420 D HN 0.290 nan 8.370 nan 0.000 0.460 421 D N -1.193 119.024 120.400 -0.304 0.000 2.144 421 D HA -0.152 4.401 4.640 -0.145 0.000 0.200 421 D C 1.753 177.832 176.300 -0.367 0.000 0.978 421 D CA 0.606 54.408 54.000 -0.330 0.000 0.833 421 D CB -0.412 40.190 40.800 -0.329 0.000 0.961 421 D HN 0.335 nan 8.370 nan 0.000 0.470 422 Y N 1.900 121.855 120.300 -0.575 0.000 2.109 422 Y HA -0.280 4.182 4.550 -0.145 0.000 0.285 422 Y C 2.597 178.252 175.900 -0.407 0.000 1.131 422 Y CA 2.402 60.206 58.100 -0.494 0.000 1.121 422 Y CB -0.276 37.904 38.460 -0.466 0.000 0.987 422 Y HN -0.004 nan 8.280 nan 0.000 0.495 423 Q N -1.164 118.393 119.800 -0.406 0.000 2.077 423 Q HA -0.203 4.050 4.340 -0.145 0.000 0.206 423 Q C 2.001 177.811 176.000 -0.316 0.000 0.989 423 Q CA 2.397 57.953 55.803 -0.412 0.000 0.853 423 Q CB -1.227 27.110 28.738 -0.669 0.000 0.907 423 Q HN 0.296 nan 8.270 nan 0.000 0.418 424 T N 0.854 115.230 114.554 -0.298 0.000 2.620 424 T HA -0.211 4.052 4.350 -0.145 0.000 0.267 424 T C 1.740 176.311 174.700 -0.214 0.000 1.044 424 T CA 2.090 64.063 62.100 -0.211 0.000 1.161 424 T CB -0.232 68.517 68.868 -0.198 0.000 0.862 424 T HN 0.358 nan 8.240 nan 0.000 0.438 425 R N -0.048 120.277 120.500 -0.292 0.000 2.276 425 R HA 0.166 4.419 4.340 -0.145 0.000 0.203 425 R C 2.125 178.250 176.300 -0.291 0.000 1.017 425 R CA 0.316 56.252 56.100 -0.273 0.000 1.010 425 R CB -0.157 29.960 30.300 -0.306 0.000 0.900 425 R HN 0.262 nan 8.270 nan 0.000 0.469 426 L N -0.033 120.973 121.223 -0.361 0.000 2.130 426 L HA 0.045 4.298 4.340 -0.145 0.000 0.200 426 L C 1.679 178.430 176.870 -0.198 0.000 1.075 426 L CA 1.423 56.070 54.840 -0.322 0.000 0.768 426 L CB -0.062 41.736 42.059 -0.436 0.000 0.933 426 L HN 0.059 nan 8.230 nan 0.000 0.451 427 L N -0.779 120.353 121.223 -0.153 0.000 2.072 427 L HA -0.111 4.142 4.340 -0.145 0.000 0.205 427 L C 2.759 179.645 176.870 0.026 0.000 1.079 427 L CA 0.942 55.755 54.840 -0.044 0.000 0.752 427 L CB -0.581 41.495 42.059 0.028 0.000 0.906 427 L HN 0.217 nan 8.230 nan 0.000 0.436 428 R N 0.096 120.592 120.500 -0.005 0.000 2.115 428 R HA -0.204 4.049 4.340 -0.145 0.000 0.239 428 R C -0.117 176.213 176.300 0.049 0.000 1.133 428 R CA 2.068 58.181 56.100 0.021 0.000 0.935 428 R CB -1.813 28.475 30.300 -0.019 0.000 0.853 428 R HN 0.340 nan 8.270 nan 0.000 0.433 429 P HA -0.104 nan 4.420 nan 0.000 0.214 429 P C 1.577 178.935 177.300 0.096 0.000 1.162 429 P CA 1.084 64.213 63.100 0.048 0.000 0.879 429 P CB -0.065 31.639 31.700 0.006 0.000 0.786 430 V N -0.368 119.590 119.914 0.072 0.000 2.287 430 V HA -0.226 3.807 4.120 -0.145 0.000 0.248 430 V C 2.396 178.628 176.094 0.229 0.000 1.053 430 V CA 1.780 64.146 62.300 0.109 0.000 1.027 430 V CB -1.348 30.490 31.823 0.025 0.000 0.646 430 V HN 0.069 nan 8.190 nan 0.000 0.447 431 L N -0.772 120.617 121.223 0.278 0.000 2.395 431 L HA -0.014 4.239 4.340 -0.145 0.000 0.218 431 L C 2.427 179.588 176.870 0.486 0.000 1.130 431 L CA 0.667 55.807 54.840 0.500 0.000 0.826 431 L CB -0.387 41.968 42.059 0.492 0.000 0.941 431 L HN 0.251 nan 8.230 nan 0.000 0.451 432 S N 0.139 116.016 115.700 0.295 0.000 2.371 432 S HA 0.006 4.389 4.470 -0.145 0.000 0.221 432 S C 1.960 176.712 174.600 0.253 0.000 1.036 432 S CA 0.738 59.080 58.200 0.236 0.000 0.965 432 S CB -0.070 63.230 63.200 0.166 0.000 0.845 432 S HN 0.249 nan 8.310 nan 0.000 0.475 433 L N 0.191 121.558 121.223 0.240 0.000 2.042 433 L HA -0.133 4.120 4.340 -0.145 0.000 0.210 433 L C 2.180 179.172 176.870 0.204 0.000 1.076 433 L CA 1.529 56.495 54.840 0.210 0.000 0.749 433 L CB -0.442 41.710 42.059 0.154 0.000 0.893 433 L HN 0.306 nan 8.230 nan 0.000 0.432 434 F N -0.191 119.805 119.950 0.077 0.000 2.060 434 F HA -0.245 4.196 4.527 -0.144 0.000 0.295 434 F C 2.108 177.822 175.800 -0.143 0.000 1.120 434 F CA 1.588 59.549 58.000 -0.064 0.000 1.205 434 F CB -0.130 38.774 39.000 -0.161 0.000 0.986 434 F HN -0.138 nan 8.300 nan 0.000 0.470 435 F N 0.368 120.312 119.950 -0.011 0.000 2.335 435 F HA -0.039 4.401 4.527 -0.145 0.000 0.296 435 F C 2.030 177.715 175.800 -0.193 0.000 1.091 435 F CA 0.731 58.627 58.000 -0.173 0.000 1.399 435 F CB -0.755 38.235 39.000 -0.016 0.000 1.067 435 F HN -0.026 nan 8.300 nan 0.000 0.520 436 N N -1.406 117.298 118.700 0.007 0.000 2.333 436 N HA -0.063 4.590 4.740 -0.145 0.000 0.178 436 N C 1.287 176.509 175.510 -0.480 0.000 1.018 436 N CA 1.128 54.029 53.050 -0.249 0.000 0.882 436 N CB -0.173 38.154 38.487 -0.267 0.000 0.984 436 N HN 0.316 nan 8.380 nan 0.000 0.434 437 H N -2.457 116.592 119.070 -0.036 0.000 3.360 437 H HA 0.289 4.758 4.556 -0.145 0.000 0.262 437 H C 0.926 176.267 175.328 0.021 0.000 1.149 437 H CA 0.677 56.743 56.048 0.030 0.000 1.181 437 H CB 1.157 30.897 29.762 -0.036 0.000 1.564 437 H HN 0.208 nan 8.280 nan 0.000 0.565 438 G N 1.626 110.391 108.800 -0.059 0.000 2.184 438 G HA2 -0.309 3.564 3.960 -0.145 0.000 0.264 438 G HA3 -0.309 3.564 3.960 -0.145 0.000 0.264 438 G C 0.407 175.317 174.900 0.017 0.000 0.975 438 G CA 0.470 45.503 45.100 -0.111 0.000 0.642 438 G HN 0.203 nan 8.290 nan 0.000 0.536 439 V N 1.627 121.564 119.914 0.040 0.000 2.421 439 V HA 0.329 4.362 4.120 -0.145 0.000 0.271 439 V C 0.949 177.159 176.094 0.193 0.000 1.031 439 V CA -0.076 62.242 62.300 0.031 0.000 1.032 439 V CB 1.398 33.143 31.823 -0.130 0.000 1.009 439 V HN 0.271 nan 8.190 nan 0.000 0.477 440 V N 7.511 127.550 119.914 0.208 0.000 2.353 440 V HA 0.283 4.316 4.120 -0.145 0.000 0.264 440 V C 0.555 176.729 176.094 0.133 0.000 1.049 440 V CA -0.498 61.952 62.300 0.250 0.000 0.896 440 V CB 0.905 32.878 31.823 0.250 0.000 1.025 440 V HN 0.707 nan 8.190 nan 0.000 0.475 441 M N 3.175 122.851 119.600 0.127 0.000 2.114 441 M HA 0.381 4.774 4.480 -0.145 0.000 0.293 441 M C 0.446 176.757 176.300 0.019 0.000 1.201 441 M CA 0.006 55.354 55.300 0.079 0.000 1.107 441 M CB 0.081 32.723 32.600 0.071 0.000 1.405 441 M HN 0.627 nan 8.290 nan 0.000 0.486 442 E N 2.325 122.509 120.200 -0.027 0.000 3.108 442 E HA 0.282 4.545 4.350 -0.145 0.000 0.228 442 E C -2.233 174.246 176.600 -0.202 0.000 1.176 442 E CA -1.485 54.877 56.400 -0.063 0.000 0.881 442 E CB 0.912 30.594 29.700 -0.032 0.000 1.354 442 E HN 0.217 nan 8.360 nan 0.000 0.400 443 P HA 0.118 nan 4.420 nan 0.000 0.208 443 P C -0.556 176.734 177.300 -0.017 0.000 1.837 443 P CA -0.328 62.694 63.100 -0.130 0.000 0.953 443 P CB -0.552 31.086 31.700 -0.103 0.000 1.870 444 H N -1.010 118.081 119.070 0.034 0.000 2.465 444 H HA 0.110 4.580 4.556 -0.143 0.000 0.367 444 H C 1.479 176.814 175.328 0.011 0.000 1.737 444 H CA -0.555 55.496 56.048 0.005 0.000 1.447 444 H CB -0.351 29.370 29.762 -0.067 0.000 1.620 444 H HN -0.098 nan 8.280 nan 0.000 0.587 445 L N -1.480 119.804 121.223 0.103 0.000 2.131 445 L HA -0.148 4.105 4.340 -0.145 0.000 0.210 445 L C 2.612 179.502 176.870 0.034 0.000 1.092 445 L CA 1.472 56.244 54.840 -0.113 0.000 0.759 445 L CB -0.382 41.582 42.059 -0.159 0.000 0.903 445 L HN 0.711 nan 8.230 nan 0.000 0.435 446 Q N -0.082 119.864 119.800 0.242 0.000 2.331 446 Q HA -0.077 4.176 4.340 -0.145 0.000 0.203 446 Q C 1.029 177.094 176.000 0.109 0.000 0.944 446 Q CA 0.769 56.668 55.803 0.159 0.000 0.892 446 Q CB 0.193 29.000 28.738 0.115 0.000 0.983 446 Q HN 0.439 nan 8.270 nan 0.000 0.482 447 N N 0.048 118.751 118.700 0.005 0.000 2.314 447 N HA 0.072 4.725 4.740 -0.145 0.000 0.200 447 N C -0.797 174.650 175.510 -0.106 0.000 1.135 447 N CA 0.109 53.065 53.050 -0.157 0.000 0.835 447 N CB 0.670 38.917 38.487 -0.400 0.000 0.989 447 N HN -0.068 nan 8.380 nan 0.000 0.478 448 S N -0.363 115.321 115.700 -0.028 0.000 2.521 448 S HA 0.595 4.978 4.470 -0.145 0.000 0.295 448 S C -0.587 174.015 174.600 0.002 0.000 1.098 448 S CA -0.621 57.587 58.200 0.013 0.000 0.999 448 S CB 2.736 66.051 63.200 0.192 0.000 1.034 448 S HN -0.218 nan 8.310 nan 0.000 0.483 449 V N 3.550 123.436 119.914 -0.047 0.000 2.524 449 V HA 0.369 4.402 4.120 -0.145 0.000 0.297 449 V C -0.775 175.318 176.094 -0.001 0.000 1.035 449 V CA -0.699 61.585 62.300 -0.026 0.000 0.867 449 V CB 1.640 33.363 31.823 -0.167 0.000 1.004 449 V HN 0.775 nan 8.190 nan 0.000 0.426 450 L N 6.991 128.271 121.223 0.094 0.000 2.361 450 L HA 0.463 4.715 4.340 -0.145 0.000 0.278 450 L C -0.183 176.768 176.870 0.135 0.000 1.113 450 L CA 0.593 55.516 54.840 0.139 0.000 0.849 450 L CB 1.147 43.366 42.059 0.267 0.000 1.155 450 L HN 0.471 nan 8.230 nan 0.000 0.452 451 V N 5.898 125.855 119.914 0.071 0.000 2.383 451 V HA 0.404 4.437 4.120 -0.145 0.000 0.275 451 V C -0.341 175.817 176.094 0.106 0.000 1.036 451 V CA -0.500 61.829 62.300 0.049 0.000 0.889 451 V CB 0.630 32.445 31.823 -0.015 0.000 0.985 451 V HN 1.000 nan 8.190 nan 0.000 0.459 452 H N 2.555 121.670 119.070 0.075 0.000 2.821 452 H HA 0.763 5.232 4.556 -0.145 0.000 0.373 452 H C -0.752 174.605 175.328 0.049 0.000 1.165 452 H CA -1.174 54.926 56.048 0.087 0.000 1.154 452 H CB 1.740 31.616 29.762 0.189 0.000 1.765 452 H HN 0.407 nan 8.280 nan 0.000 0.549 453 Q N 2.138 122.022 119.800 0.139 0.000 2.462 453 Q HA 0.249 4.502 4.340 -0.145 0.000 0.247 453 Q C -0.820 175.251 176.000 0.118 0.000 1.044 453 Q CA -0.259 55.583 55.803 0.064 0.000 0.803 453 Q CB 0.409 29.163 28.738 0.028 0.000 1.190 453 Q HN 0.806 nan 8.270 nan 0.000 0.507 454 Q N 2.531 122.418 119.800 0.145 0.000 2.452 454 Q HA -0.313 3.940 4.340 -0.145 0.000 0.318 454 Q C 0.648 176.524 176.000 -0.208 0.000 1.386 454 Q CA 0.791 56.624 55.803 0.049 0.000 0.872 454 Q CB -1.703 27.104 28.738 0.115 0.000 1.151 454 Q HN 1.151 nan 8.270 nan 0.000 0.417 455 G N -0.637 107.967 108.800 -0.327 0.000 2.320 455 G HA2 -0.361 3.512 3.960 -0.145 0.000 0.242 455 G HA3 -0.361 3.512 3.960 -0.145 0.000 0.242 455 G C 0.056 175.214 174.900 0.431 0.000 1.033 455 G CA 0.196 45.197 45.100 -0.166 0.000 0.620 455 G HN 0.308 nan 8.290 nan 0.000 0.517 456 R N 2.208 122.874 120.500 0.276 0.000 2.343 456 R HA 0.467 4.720 4.340 -0.145 0.000 0.326 456 R C -2.310 174.081 176.300 0.150 0.000 1.055 456 R CA -1.573 54.661 56.100 0.223 0.000 0.961 456 R CB 0.236 30.600 30.300 0.106 0.000 0.978 456 R HN 0.214 nan 8.270 nan 0.000 0.443 457 P HA -0.138 nan 4.420 nan 0.000 0.259 457 P C -0.167 177.103 177.300 -0.051 0.000 1.163 457 P CA 0.505 63.559 63.100 -0.076 0.000 0.760 457 P CB 0.751 32.242 31.700 -0.349 0.000 0.762 458 Q N 1.823 121.611 119.800 -0.020 0.000 2.606 458 Q HA 0.157 4.410 4.340 -0.145 0.000 0.215 458 Q C 0.142 176.097 176.000 -0.075 0.000 0.908 458 Q CA 1.019 56.799 55.803 -0.038 0.000 0.908 458 Q CB 0.281 29.011 28.738 -0.013 0.000 1.120 458 Q HN 0.520 nan 8.270 nan 0.000 0.628 459 Q N -0.458 119.297 119.800 -0.076 0.000 2.379 459 Q HA 0.500 4.753 4.340 -0.145 0.000 0.278 459 Q C -1.449 174.471 176.000 -0.134 0.000 1.068 459 Q CA -0.341 55.397 55.803 -0.109 0.000 0.816 459 Q CB 3.266 31.953 28.738 -0.086 0.000 1.387 459 Q HN -0.107 nan 8.270 nan 0.000 0.413 460 V N 2.618 122.418 119.914 -0.189 0.000 2.294 460 V HA 0.310 4.343 4.120 -0.145 0.000 0.272 460 V C -0.358 175.639 176.094 -0.161 0.000 1.027 460 V CA -0.607 61.579 62.300 -0.189 0.000 0.823 460 V CB 0.692 32.329 31.823 -0.310 0.000 1.030 460 V HN 0.698 nan 8.190 nan 0.000 0.457 461 L N 6.187 127.301 121.223 -0.182 0.000 2.456 461 L HA 0.402 4.655 4.340 -0.145 0.000 0.272 461 L C -0.660 176.067 176.870 -0.238 0.000 1.189 461 L CA 0.362 55.050 54.840 -0.252 0.000 0.846 461 L CB 0.501 42.296 42.059 -0.440 0.000 1.111 461 L HN 0.480 nan 8.230 nan 0.000 0.475 462 L N 5.607 126.701 121.223 -0.214 0.000 2.362 462 L HA 0.680 4.932 4.340 -0.145 0.000 0.271 462 L C -0.416 176.326 176.870 -0.212 0.000 1.002 462 L CA -0.786 53.952 54.840 -0.171 0.000 0.818 462 L CB 1.873 43.874 42.059 -0.096 0.000 1.298 462 L HN 0.754 nan 8.230 nan 0.000 0.420 463 R N 0.634 121.008 120.500 -0.209 0.000 2.781 463 R HA 0.670 4.923 4.340 -0.145 0.000 0.269 463 R C -1.748 174.422 176.300 -0.216 0.000 1.025 463 R CA -0.774 55.165 56.100 -0.269 0.000 0.914 463 R CB 1.873 31.992 30.300 -0.302 0.000 1.236 463 R HN 0.469 nan 8.270 nan 0.000 0.465 464 D N 0.103 120.315 120.400 -0.313 0.000 3.625 464 D HA -0.092 4.461 4.640 -0.145 0.000 0.217 464 D C -0.782 175.514 176.300 -0.006 0.000 1.064 464 D CA 0.074 53.957 54.000 -0.195 0.000 0.989 464 D CB -0.742 39.992 40.800 -0.111 0.000 0.789 464 D HN 0.494 nan 8.370 nan 0.000 0.376 465 F N 1.403 121.296 119.950 -0.095 0.000 2.502 465 F HA 0.076 4.515 4.527 -0.146 0.000 0.298 465 F C 2.373 178.155 175.800 -0.030 0.000 1.111 465 F CA 1.145 59.104 58.000 -0.068 0.000 1.445 465 F CB -0.409 38.557 39.000 -0.058 0.000 1.081 465 F HN 0.561 nan 8.300 nan 0.000 0.558 466 E N 0.579 120.861 120.200 0.136 0.000 2.049 466 E HA -0.188 4.075 4.350 -0.145 0.000 0.198 466 E C 2.230 178.856 176.600 0.044 0.000 1.007 466 E CA 1.499 57.940 56.400 0.068 0.000 0.809 466 E CB -0.630 29.092 29.700 0.036 0.000 0.749 466 E HN 0.330 nan 8.360 nan 0.000 0.450 467 G N 0.905 109.730 108.800 0.042 0.000 3.210 467 G HA2 0.136 4.009 3.960 -0.145 0.000 0.220 467 G HA3 0.136 4.009 3.960 -0.145 0.000 0.220 467 G C 0.034 174.923 174.900 -0.019 0.000 1.200 467 G CA -0.241 44.865 45.100 0.010 0.000 0.834 467 G HN 0.089 nan 8.290 nan 0.000 0.524 468 V N 1.415 121.344 119.914 0.025 0.000 2.432 468 V HA 0.381 4.414 4.120 -0.145 0.000 0.275 468 V C -0.192 175.870 176.094 -0.053 0.000 1.043 468 V CA -0.407 61.912 62.300 0.031 0.000 0.925 468 V CB 1.430 33.331 31.823 0.130 0.000 0.985 468 V HN 0.113 nan 8.190 nan 0.000 0.466 469 K N 4.993 125.329 120.400 -0.107 0.000 2.352 469 K HA 0.745 4.978 4.320 -0.145 0.000 0.240 469 K C -1.179 175.408 176.600 -0.021 0.000 1.017 469 K CA -0.738 55.443 56.287 -0.178 0.000 0.851 469 K CB 2.712 34.846 32.500 -0.609 0.000 1.261 469 K HN 0.419 nan 8.250 nan 0.000 0.451 470 L N 0.940 122.178 121.223 0.025 0.000 2.410 470 L HA 0.347 4.600 4.340 -0.145 0.000 0.270 470 L C 0.193 177.129 176.870 0.111 0.000 0.983 470 L CA -1.041 53.842 54.840 0.071 0.000 0.822 470 L CB 2.165 44.255 42.059 0.052 0.000 1.285 470 L HN 0.728 nan 8.230 nan 0.000 0.409 471 T N -3.183 111.428 114.554 0.096 0.000 2.884 471 T HA 0.079 4.342 4.350 -0.145 0.000 0.298 471 T C 0.903 175.631 174.700 0.046 0.000 0.998 471 T CA -0.600 61.551 62.100 0.085 0.000 1.124 471 T CB 1.072 69.936 68.868 -0.007 0.000 0.931 471 T HN 0.702 nan 8.240 nan 0.000 0.531 472 D N 2.126 122.557 120.400 0.052 0.000 2.182 472 D HA -0.217 4.336 4.640 -0.145 0.000 0.201 472 D C 1.301 177.598 176.300 -0.005 0.000 0.986 472 D CA 1.563 55.579 54.000 0.026 0.000 0.847 472 D CB -0.306 40.510 40.800 0.028 0.000 0.942 472 D HN 0.800 nan 8.370 nan 0.000 0.467 473 D N -0.732 119.655 120.400 -0.022 0.000 2.333 473 D HA -0.016 4.536 4.640 -0.145 0.000 0.208 473 D C 1.721 177.978 176.300 -0.070 0.000 0.984 473 D CA 0.128 54.101 54.000 -0.045 0.000 0.873 473 D CB 0.164 40.934 40.800 -0.050 0.000 0.935 473 D HN 0.355 nan 8.370 nan 0.000 0.521 474 L N -0.528 120.650 121.223 -0.074 0.000 2.186 474 L HA 0.358 4.611 4.340 -0.145 0.000 0.182 474 L C 2.110 178.940 176.870 -0.067 0.000 1.190 474 L CA 1.271 56.051 54.840 -0.099 0.000 1.051 474 L CB -0.380 41.601 42.059 -0.131 0.000 2.162 474 L HN -0.013 nan 8.230 nan 0.000 0.494 475 G N 0.532 109.333 108.800 0.002 0.000 2.440 475 G HA2 -0.284 3.589 3.960 -0.145 0.000 0.218 475 G HA3 -0.284 3.589 3.960 -0.145 0.000 0.218 475 G C 1.495 176.478 174.900 0.139 0.000 1.154 475 G CA 1.270 46.451 45.100 0.136 0.000 0.767 475 G HN 0.347 nan 8.290 nan 0.000 0.552 476 I N 0.718 121.320 120.570 0.054 0.000 2.567 476 I HA -0.067 4.016 4.170 -0.145 0.000 0.257 476 I C 2.594 178.715 176.117 0.008 0.000 1.184 476 I CA 0.940 62.267 61.300 0.044 0.000 1.451 476 I CB -0.129 37.889 38.000 0.030 0.000 1.089 476 I HN 0.193 nan 8.210 nan 0.000 0.441 477 R N -0.738 119.720 120.500 -0.070 0.000 2.200 477 R HA -0.234 4.019 4.340 -0.145 0.000 0.234 477 R C 1.936 178.141 176.300 -0.158 0.000 1.127 477 R CA 1.640 57.652 56.100 -0.147 0.000 0.989 477 R CB -0.467 29.691 30.300 -0.236 0.000 0.869 477 R HN 0.429 nan 8.270 nan 0.000 0.459 478 Y N 0.477 120.767 120.300 -0.017 0.000 2.293 478 Y HA -0.004 4.459 4.550 -0.145 0.000 0.291 478 Y C 0.920 176.812 175.900 -0.012 0.000 1.137 478 Y CA 0.244 58.334 58.100 -0.017 0.000 1.202 478 Y CB 0.185 38.620 38.460 -0.042 0.000 0.990 478 Y HN -0.018 nan 8.280 nan 0.000 0.537 479 I N 1.065 121.714 120.570 0.132 0.000 2.529 479 I HA -0.031 4.052 4.170 -0.145 0.000 0.284 479 I C -0.236 175.916 176.117 0.058 0.000 1.082 479 I CA -0.475 60.876 61.300 0.084 0.000 1.406 479 I CB 0.353 38.392 38.000 0.066 0.000 1.405 479 I HN 0.012 nan 8.210 nan 0.000 0.548 480 D N 5.109 125.544 120.400 0.057 0.000 2.488 480 D HA -0.044 4.509 4.640 -0.145 0.000 0.238 480 D C 0.964 177.288 176.300 0.040 0.000 1.138 480 D CA 0.178 54.205 54.000 0.046 0.000 0.873 480 D CB 0.643 41.473 40.800 0.051 0.000 1.183 480 D HN 0.426 nan 8.370 nan 0.000 0.458 481 D N 1.640 122.056 120.400 0.028 0.000 2.264 481 D HA -0.176 4.377 4.640 -0.145 0.000 0.208 481 D C 1.218 177.534 176.300 0.028 0.000 0.966 481 D CA 0.663 54.676 54.000 0.022 0.000 0.864 481 D CB 0.018 40.825 40.800 0.012 0.000 0.933 481 D HN 0.554 nan 8.370 nan 0.000 0.499 482 D N 0.836 121.257 120.400 0.035 0.000 2.309 482 D HA -0.154 4.399 4.640 -0.145 0.000 0.212 482 D C 0.910 177.246 176.300 0.061 0.000 0.968 482 D CA 0.162 54.187 54.000 0.042 0.000 0.882 482 D CB -0.196 40.631 40.800 0.045 0.000 0.918 482 D HN 0.028 nan 8.370 nan 0.000 0.503 483 I N 1.875 122.488 120.570 0.072 0.000 2.815 483 I HA -0.079 4.004 4.170 -0.145 0.000 0.291 483 I C 1.024 177.219 176.117 0.131 0.000 1.209 483 I CA -0.045 61.321 61.300 0.109 0.000 1.431 483 I CB -0.406 37.651 38.000 0.094 0.000 1.351 483 I HN 0.295 nan 8.210 nan 0.000 0.585 484 H N 8.728 127.863 119.070 0.108 0.000 3.094 484 H HA -0.023 4.446 4.556 -0.145 0.000 0.320 484 H C -1.590 173.797 175.328 0.097 0.000 1.000 484 H CA -0.764 55.370 56.048 0.143 0.000 1.413 484 H CB 1.011 30.931 29.762 0.265 0.000 1.405 484 H HN 0.307 nan 8.280 nan 0.000 0.586 485 P HA -0.166 nan 4.420 nan 0.000 0.216 485 P C 1.604 178.969 177.300 0.108 0.000 1.150 485 P CA 1.371 64.489 63.100 0.030 0.000 0.843 485 P CB 0.239 31.906 31.700 -0.054 0.000 0.787 486 R N -0.027 120.655 120.500 0.303 0.000 2.081 486 R HA -0.083 4.170 4.340 -0.145 0.000 0.235 486 R C 1.951 178.146 176.300 -0.175 0.000 1.131 486 R CA 1.459 57.573 56.100 0.023 0.000 0.960 486 R CB -1.496 28.847 30.300 0.071 0.000 0.856 486 R HN -0.005 nan 8.270 nan 0.000 0.436 487 V N 0.669 120.555 119.914 -0.047 0.000 2.343 487 V HA -0.204 3.829 4.120 -0.145 0.000 0.247 487 V C 2.513 178.599 176.094 -0.013 0.000 1.051 487 V CA 2.187 64.446 62.300 -0.069 0.000 1.036 487 V CB -0.622 31.208 31.823 0.011 0.000 0.654 487 V HN 0.357 nan 8.190 nan 0.000 0.451 488 R N -0.160 120.358 120.500 0.029 0.000 2.083 488 R HA -0.238 4.015 4.340 -0.145 0.000 0.237 488 R C 2.497 178.800 176.300 0.004 0.000 1.137 488 R CA 2.108 58.224 56.100 0.026 0.000 0.951 488 R CB -0.326 29.996 30.300 0.036 0.000 0.851 488 R HN 0.598 nan 8.270 nan 0.000 0.434 489 Q N -0.452 119.333 119.800 -0.025 0.000 2.170 489 Q HA -0.153 4.100 4.340 -0.145 0.000 0.203 489 Q C 1.903 177.879 176.000 -0.041 0.000 0.976 489 Q CA 1.812 57.592 55.803 -0.038 0.000 0.858 489 Q CB -0.052 28.639 28.738 -0.078 0.000 0.907 489 Q HN 0.266 nan 8.270 nan 0.000 0.433 490 S N -0.542 115.110 115.700 -0.080 0.000 2.453 490 S HA 0.008 4.391 4.470 -0.145 0.000 0.231 490 S C 1.693 176.300 174.600 0.012 0.000 1.005 490 S CA 0.415 58.599 58.200 -0.026 0.000 0.949 490 S CB 0.045 63.270 63.200 0.042 0.000 0.774 490 S HN 0.405 nan 8.310 nan 0.000 0.510 491 L N 0.626 121.854 121.223 0.007 0.000 2.307 491 L HA 0.258 4.511 4.340 -0.145 0.000 0.211 491 L C 0.398 177.280 176.870 0.020 0.000 1.099 491 L CA -0.057 54.783 54.840 -0.001 0.000 0.816 491 L CB -0.124 41.942 42.059 0.012 0.000 0.952 491 L HN 0.254 nan 8.230 nan 0.000 0.455 492 L N 0.456 121.723 121.223 0.072 0.000 2.369 492 L HA 0.154 4.407 4.340 -0.145 0.000 0.279 492 L C -0.875 176.167 176.870 0.287 0.000 1.108 492 L CA 0.430 55.347 54.840 0.128 0.000 0.852 492 L CB -0.194 41.918 42.059 0.088 0.000 1.169 492 L HN -0.129 nan 8.230 nan 0.000 0.452 493 Y N 2.457 122.788 120.300 0.053 0.000 2.446 493 Y HA 0.445 4.907 4.550 -0.146 0.000 0.345 493 Y C 0.465 176.405 175.900 0.066 0.000 0.984 493 Y CA -1.285 56.855 58.100 0.066 0.000 1.058 493 Y CB 2.064 40.582 38.460 0.096 0.000 1.220 493 Y HN 0.696 nan 8.280 nan 0.000 0.455 494 S N 3.236 118.983 115.700 0.079 0.000 2.593 494 S HA 0.203 4.586 4.470 -0.145 0.000 0.269 494 S C 1.410 176.082 174.600 0.120 0.000 1.334 494 S CA -0.380 57.854 58.200 0.056 0.000 1.015 494 S CB 0.976 64.170 63.200 -0.010 0.000 0.912 494 S HN 0.878 nan 8.310 nan 0.000 0.541 495 R N 0.785 121.354 120.500 0.116 0.000 2.083 495 R HA -0.132 4.121 4.340 -0.145 0.000 0.237 495 R C 2.278 178.743 176.300 0.275 0.000 1.137 495 R CA 1.923 58.139 56.100 0.194 0.000 0.951 495 R CB -0.567 29.785 30.300 0.087 0.000 0.851 495 R HN 0.937 nan 8.270 nan 0.000 0.434 496 E N 0.056 120.350 120.200 0.155 0.000 2.118 496 E HA -0.280 3.983 4.350 -0.145 0.000 0.195 496 E C 2.002 178.659 176.600 0.094 0.000 0.992 496 E CA 1.505 57.993 56.400 0.147 0.000 0.804 496 E CB 0.078 29.815 29.700 0.062 0.000 0.741 496 E HN 0.429 nan 8.360 nan 0.000 0.458 497 Q N -0.924 118.865 119.800 -0.018 0.000 2.049 497 Q HA -0.080 4.173 4.340 -0.145 0.000 0.198 497 Q C 2.098 178.032 176.000 -0.110 0.000 0.971 497 Q CA 1.364 57.032 55.803 -0.226 0.000 0.833 497 Q CB -0.134 28.322 28.738 -0.470 0.000 0.896 497 Q HN 0.328 nan 8.270 nan 0.000 0.434 498 G N 0.177 109.079 108.800 0.171 0.000 2.422 498 G HA2 -0.272 3.601 3.960 -0.145 0.000 0.218 498 G HA3 -0.272 3.601 3.960 -0.145 0.000 0.218 498 G C 1.071 176.018 174.900 0.080 0.000 1.146 498 G CA 0.432 45.765 45.100 0.389 0.000 0.769 498 G HN 0.540 nan 8.290 nan 0.000 0.547 499 W N 1.440 122.661 121.300 -0.132 0.000 2.418 499 W HA -0.075 4.499 4.660 -0.142 0.000 0.292 499 W C 1.857 178.317 176.519 -0.098 0.000 1.213 499 W CA 0.871 58.036 57.345 -0.299 0.000 1.283 499 W CB 0.012 29.427 29.460 -0.075 0.000 1.119 499 W HN 0.163 nan 8.180 nan 0.000 0.542 500 N N 0.750 119.402 118.700 -0.080 0.000 2.205 500 N HA -0.192 4.461 4.740 -0.145 0.000 0.186 500 N C 1.776 177.225 175.510 -0.103 0.000 1.015 500 N CA 1.465 54.411 53.050 -0.173 0.000 0.862 500 N CB -0.753 37.583 38.487 -0.253 0.000 0.986 500 N HN 0.257 nan 8.380 nan 0.000 0.429 501 R N 0.355 120.839 120.500 -0.027 0.000 2.062 501 R HA 0.159 4.412 4.340 -0.145 0.000 0.226 501 R C 2.174 178.477 176.300 0.006 0.000 1.125 501 R CA 0.513 56.701 56.100 0.146 0.000 0.966 501 R CB -0.122 30.324 30.300 0.243 0.000 0.861 501 R HN 0.150 nan 8.270 nan 0.000 0.433 502 I N 0.687 121.130 120.570 -0.212 0.000 2.127 502 I HA -0.380 3.703 4.170 -0.145 0.000 0.241 502 I C 2.513 178.365 176.117 -0.442 0.000 1.075 502 I CA 1.519 62.603 61.300 -0.360 0.000 1.334 502 I CB -0.274 37.414 38.000 -0.519 0.000 1.040 502 I HN 0.314 nan 8.210 nan 0.000 0.405 503 M N -0.453 118.757 119.600 -0.650 0.000 2.113 503 M HA -0.332 4.061 4.480 -0.145 0.000 0.255 503 M C 2.543 178.817 176.300 -0.042 0.000 1.073 503 M CA 2.397 57.503 55.300 -0.323 0.000 1.091 503 M CB -0.858 31.503 32.600 -0.399 0.000 1.309 503 M HN 0.308 nan 8.290 nan 0.000 0.407 504 Y N 0.271 120.505 120.300 -0.110 0.000 2.089 504 Y HA -0.260 4.205 4.550 -0.141 0.000 0.282 504 Y C 2.528 178.392 175.900 -0.060 0.000 1.139 504 Y CA 1.716 59.780 58.100 -0.061 0.000 1.123 504 Y CB -0.974 37.505 38.460 0.031 0.000 0.980 504 Y HN 0.283 nan 8.280 nan 0.000 0.493 505 C N 0.828 119.911 119.300 -0.362 0.000 2.393 505 C HA -0.228 4.145 4.460 -0.145 0.000 0.276 505 C C 2.931 177.724 174.990 -0.328 0.000 1.215 505 C CA 1.522 60.311 59.018 -0.382 0.000 1.743 505 C CB -1.559 26.110 27.740 -0.118 0.000 2.044 505 C HN 0.665 nan 8.230 nan 0.000 0.464 506 L N -1.130 119.840 121.223 -0.422 0.000 2.027 506 L HA -0.089 4.164 4.340 -0.145 0.000 0.206 506 L C 2.249 178.785 176.870 -0.557 0.000 1.074 506 L CA 1.839 56.288 54.840 -0.652 0.000 0.745 506 L CB -0.436 40.955 42.059 -1.113 0.000 0.898 506 L HN 0.349 nan 8.230 nan 0.000 0.433 507 F N -1.472 118.484 119.950 0.011 0.000 2.453 507 F HA 0.095 4.534 4.527 -0.147 0.000 0.284 507 F C 2.147 178.005 175.800 0.096 0.000 1.065 507 F CA 0.262 58.395 58.000 0.222 0.000 1.411 507 F CB 0.103 39.252 39.000 0.249 0.000 1.131 507 F HN -0.162 nan 8.300 nan 0.000 0.582 508 I N -0.301 120.173 120.570 -0.161 0.000 2.556 508 I HA -0.139 3.944 4.170 -0.145 0.000 0.251 508 I C 2.265 178.276 176.117 -0.176 0.000 1.105 508 I CA 0.613 61.707 61.300 -0.343 0.000 1.436 508 I CB -0.335 37.384 38.000 -0.468 0.000 1.139 508 I HN 0.146 nan 8.210 nan 0.000 0.438 509 N N 0.180 118.632 118.700 -0.413 0.000 2.270 509 N HA -0.191 4.462 4.740 -0.145 0.000 0.181 509 N C 1.582 177.049 175.510 -0.073 0.000 1.016 509 N CA 1.609 54.459 53.050 -0.332 0.000 0.870 509 N CB 0.320 38.402 38.487 -0.675 0.000 0.979 509 N HN 0.519 nan 8.380 nan 0.000 0.431 510 H N -0.880 118.114 119.070 -0.127 0.000 2.451 510 H HA 0.278 4.746 4.556 -0.146 0.000 0.240 510 H C 2.150 177.466 175.328 -0.020 0.000 1.071 510 H CA -0.052 55.971 56.048 -0.042 0.000 1.477 510 H CB -0.164 29.572 29.762 -0.042 0.000 1.376 510 H HN -0.091 nan 8.280 nan 0.000 0.549 511 L N 0.329 121.731 121.223 0.297 0.000 2.127 511 L HA -0.177 4.076 4.340 -0.145 0.000 0.211 511 L C 2.634 179.573 176.870 0.115 0.000 1.089 511 L CA 1.273 56.247 54.840 0.223 0.000 0.757 511 L CB -0.426 41.803 42.059 0.282 0.000 0.899 511 L HN 0.335 nan 8.230 nan 0.000 0.434 512 S N -0.652 115.265 115.700 0.363 0.000 2.400 512 S HA -0.175 4.208 4.470 -0.145 0.000 0.232 512 S C 1.920 176.587 174.600 0.111 0.000 1.025 512 S CA 1.239 59.705 58.200 0.444 0.000 0.993 512 S CB -0.067 63.496 63.200 0.604 0.000 0.808 512 S HN 0.395 nan 8.310 nan 0.000 0.478 513 E N 0.301 120.510 120.200 0.015 0.000 2.112 513 E HA -0.025 4.238 4.350 -0.145 0.000 0.190 513 E C 2.216 178.635 176.600 -0.302 0.000 0.979 513 E CA 1.034 57.384 56.400 -0.083 0.000 0.814 513 E CB -0.816 28.862 29.700 -0.036 0.000 0.762 513 E HN 0.484 nan 8.360 nan 0.000 0.460 514 T N 2.047 116.246 114.554 -0.592 0.000 2.684 514 T HA -0.111 4.151 4.350 -0.145 0.000 0.267 514 T C 2.091 176.469 174.700 -0.538 0.000 1.036 514 T CA 0.999 62.409 62.100 -1.150 0.000 1.148 514 T CB -0.161 68.185 68.868 -0.869 0.000 0.863 514 T HN 0.120 nan 8.240 nan 0.000 0.436 515 I N 0.361 120.677 120.570 -0.423 0.000 2.286 515 I HA -0.073 4.010 4.170 -0.145 0.000 0.245 515 I C 2.298 178.253 176.117 -0.270 0.000 1.104 515 I CA 0.840 61.846 61.300 -0.490 0.000 1.397 515 I CB -0.307 37.267 38.000 -0.710 0.000 1.072 515 I HN 0.176 nan 8.210 nan 0.000 0.417 516 L N 0.989 122.108 121.223 -0.174 0.000 2.217 516 L HA -0.041 4.212 4.340 -0.145 0.000 0.211 516 L C 2.415 179.294 176.870 0.015 0.000 1.107 516 L CA 1.711 56.493 54.840 -0.097 0.000 0.783 516 L CB -0.460 41.511 42.059 -0.146 0.000 0.919 516 L HN 0.135 nan 8.230 nan 0.000 0.442 517 A N -0.710 122.105 122.820 -0.007 0.000 1.898 517 A HA -0.020 4.213 4.320 -0.145 0.000 0.214 517 A C 2.169 179.776 177.584 0.038 0.000 1.183 517 A CA 1.326 53.414 52.037 0.085 0.000 0.622 517 A CB -0.713 18.379 19.000 0.153 0.000 0.824 517 A HN 0.424 nan 8.150 nan 0.000 0.444 518 L N 0.432 121.636 121.223 -0.032 0.000 2.275 518 L HA -0.097 4.156 4.340 -0.145 0.000 0.215 518 L C 2.200 179.027 176.870 -0.073 0.000 1.119 518 L CA 1.448 56.247 54.840 -0.069 0.000 0.790 518 L CB -0.072 41.941 42.059 -0.078 0.000 0.919 518 L HN 0.586 nan 8.230 nan 0.000 0.443 519 S N -2.326 113.338 115.700 -0.060 0.000 2.650 519 S HA 0.047 4.430 4.470 -0.145 0.000 0.240 519 S C 0.693 175.292 174.600 -0.002 0.000 1.007 519 S CA -0.550 57.619 58.200 -0.052 0.000 0.984 519 S CB 0.082 63.230 63.200 -0.086 0.000 0.910 519 S HN 0.235 nan 8.310 nan 0.000 0.509 520 Q N 1.387 121.204 119.800 0.029 0.000 2.286 520 Q HA 0.274 4.527 4.340 -0.145 0.000 0.290 520 Q C 1.325 177.263 176.000 -0.103 0.000 1.049 520 Q CA 1.848 57.609 55.803 -0.070 0.000 0.923 520 Q CB 0.305 28.925 28.738 -0.197 0.000 1.183 520 Q HN 0.853 nan 8.270 nan 0.000 0.383 521 G N 4.625 113.357 108.800 -0.114 0.000 2.253 521 G HA2 -0.296 3.577 3.960 -0.145 0.000 0.251 521 G HA3 -0.296 3.577 3.960 -0.145 0.000 0.251 521 G C 0.377 175.250 174.900 -0.044 0.000 0.998 521 G CA 0.402 45.455 45.100 -0.078 0.000 0.621 521 G HN 0.604 nan 8.290 nan 0.000 0.524 522 R N 0.520 120.999 120.500 -0.035 0.000 2.655 522 R HA 0.278 4.531 4.340 -0.145 0.000 0.261 522 R C -1.832 174.454 176.300 -0.022 0.000 1.624 522 R CA -0.996 55.088 56.100 -0.026 0.000 1.655 522 R CB 1.552 31.833 30.300 -0.031 0.000 1.356 522 R HN 0.192 nan 8.270 nan 0.000 0.684 523 P HA -0.227 nan 4.420 nan 0.000 0.225 523 P C 0.922 178.211 177.300 -0.018 0.000 1.148 523 P CA 1.032 64.126 63.100 -0.010 0.000 0.779 523 P CB 0.411 32.108 31.700 -0.005 0.000 0.780 524 Q N 0.094 119.885 119.800 -0.015 0.000 2.364 524 Q HA -0.070 4.183 4.340 -0.145 0.000 0.207 524 Q C 1.941 177.932 176.000 -0.014 0.000 0.970 524 Q CA 0.980 56.777 55.803 -0.010 0.000 0.888 524 Q CB -1.234 27.503 28.738 -0.003 0.000 0.951 524 Q HN 0.327 nan 8.270 nan 0.000 0.469 525 L N 0.482 121.685 121.223 -0.033 0.000 2.376 525 L HA 0.009 4.262 4.340 -0.145 0.000 0.219 525 L C 2.553 179.365 176.870 -0.096 0.000 1.133 525 L CA 0.593 55.399 54.840 -0.057 0.000 0.816 525 L CB -0.600 41.415 42.059 -0.073 0.000 0.933 525 L HN 0.229 nan 8.230 nan 0.000 0.449 526 A N 1.216 123.989 122.820 -0.078 0.000 1.865 526 A HA -0.121 4.112 4.320 -0.145 0.000 0.217 526 A C -0.046 177.556 177.584 0.030 0.000 1.191 526 A CA 1.571 53.557 52.037 -0.084 0.000 0.623 526 A CB -1.697 17.303 19.000 -0.001 0.000 0.826 526 A HN 0.271 nan 8.150 nan 0.000 0.444 527 P HA -0.106 nan 4.420 nan 0.000 0.217 527 P C 1.476 178.852 177.300 0.127 0.000 1.150 527 P CA 0.775 63.970 63.100 0.158 0.000 0.832 527 P CB -0.161 31.593 31.700 0.090 0.000 0.787 528 L N -2.015 119.236 121.223 0.047 0.000 2.046 528 L HA -0.163 4.090 4.340 -0.145 0.000 0.208 528 L C 2.535 179.418 176.870 0.023 0.000 1.077 528 L CA 1.673 56.535 54.840 0.037 0.000 0.747 528 L CB -0.805 41.264 42.059 0.018 0.000 0.896 528 L HN 0.008 nan 8.230 nan 0.000 0.432 529 M N -1.707 117.831 119.600 -0.103 0.000 2.175 529 M HA -0.204 4.189 4.480 -0.145 0.000 0.264 529 M C 2.099 178.340 176.300 -0.099 0.000 1.063 529 M CA 2.039 57.175 55.300 -0.274 0.000 1.119 529 M CB -0.320 31.750 32.600 -0.882 0.000 1.377 529 M HN 0.231 nan 8.290 nan 0.000 0.415 530 W N -0.231 121.096 121.300 0.044 0.000 2.425 530 W HA -0.099 4.474 4.660 -0.146 0.000 0.277 530 W C 2.478 179.031 176.519 0.058 0.000 1.231 530 W CA 0.480 57.932 57.345 0.178 0.000 1.248 530 W CB -0.094 29.529 29.460 0.271 0.000 1.117 530 W HN 0.142 nan 8.180 nan 0.000 0.568 531 R N 0.294 120.939 120.500 0.242 0.000 2.115 531 R HA -0.081 4.172 4.340 -0.145 0.000 0.230 531 R C 2.080 178.393 176.300 0.023 0.000 1.111 531 R CA 1.169 57.314 56.100 0.075 0.000 0.976 531 R CB -0.104 30.243 30.300 0.078 0.000 0.870 531 R HN 0.080 nan 8.270 nan 0.000 0.445 532 R N -0.792 119.770 120.500 0.103 0.000 2.115 532 R HA -0.023 4.230 4.340 -0.145 0.000 0.226 532 R C 2.079 178.432 176.300 0.089 0.000 1.100 532 R CA 0.869 57.033 56.100 0.107 0.000 0.980 532 R CB -0.005 30.411 30.300 0.193 0.000 0.875 532 R HN 0.040 nan 8.270 nan 0.000 0.445 533 V N 0.870 120.884 119.914 0.166 0.000 2.295 533 V HA -0.291 3.742 4.120 -0.145 0.000 0.246 533 V C 2.423 178.436 176.094 -0.134 0.000 1.049 533 V CA 1.842 64.232 62.300 0.151 0.000 1.024 533 V CB -0.531 31.568 31.823 0.461 0.000 0.648 533 V HN 0.391 nan 8.190 nan 0.000 0.447 534 Q N -0.421 119.108 119.800 -0.451 0.000 2.030 534 Q HA -0.293 3.960 4.340 -0.145 0.000 0.204 534 Q C 2.419 178.237 176.000 -0.302 0.000 0.986 534 Q CA 2.220 57.596 55.803 -0.711 0.000 0.843 534 Q CB -0.117 28.044 28.738 -0.960 0.000 0.904 534 Q HN 0.693 nan 8.270 nan 0.000 0.420 535 Q N -0.224 119.469 119.800 -0.179 0.000 2.096 535 Q HA -0.258 3.995 4.340 -0.145 0.000 0.204 535 Q C 2.044 178.007 176.000 -0.063 0.000 0.982 535 Q CA 1.750 57.497 55.803 -0.093 0.000 0.850 535 Q CB -0.085 28.622 28.738 -0.051 0.000 0.901 535 Q HN 0.256 nan 8.270 nan 0.000 0.422 536 Q N 0.637 120.409 119.800 -0.046 0.000 2.167 536 Q HA -0.079 4.174 4.340 -0.145 0.000 0.202 536 Q C 1.706 177.707 176.000 0.002 0.000 0.970 536 Q CA 1.177 56.967 55.803 -0.021 0.000 0.855 536 Q CB -0.068 28.662 28.738 -0.014 0.000 0.911 536 Q HN 0.399 nan 8.270 nan 0.000 0.438 537 L N -0.619 120.608 121.223 0.006 0.000 2.141 537 L HA -0.117 4.136 4.340 -0.145 0.000 0.209 537 L C 2.427 179.297 176.870 0.001 0.000 1.094 537 L CA 1.151 56.022 54.840 0.051 0.000 0.763 537 L CB -0.227 41.873 42.059 0.068 0.000 0.908 537 L HN 0.158 nan 8.230 nan 0.000 0.437 538 R N -0.224 120.254 120.500 -0.036 0.000 2.092 538 R HA -0.103 4.150 4.340 -0.145 0.000 0.231 538 R C 2.425 178.704 176.300 -0.036 0.000 1.119 538 R CA 1.342 57.417 56.100 -0.042 0.000 0.970 538 R CB -0.374 29.896 30.300 -0.050 0.000 0.864 538 R HN 0.334 nan 8.270 nan 0.000 0.440 539 A N 0.547 123.350 122.820 -0.029 0.000 1.930 539 A HA -0.097 4.136 4.320 -0.145 0.000 0.217 539 A C 2.060 179.631 177.584 -0.021 0.000 1.175 539 A CA 1.116 53.138 52.037 -0.026 0.000 0.627 539 A CB -0.331 18.654 19.000 -0.026 0.000 0.815 539 A HN 0.197 nan 8.150 nan 0.000 0.443 540 I N -0.693 119.870 120.570 -0.011 0.000 2.406 540 I HA -0.238 3.844 4.170 -0.145 0.000 0.249 540 I C 2.708 178.808 176.117 -0.028 0.000 1.122 540 I CA 1.415 62.715 61.300 -0.000 0.000 1.431 540 I CB -0.250 37.774 38.000 0.039 0.000 1.087 540 I HN 0.530 nan 8.210 nan 0.000 0.424 541 Q N 1.239 121.005 119.800 -0.056 0.000 2.061 541 Q HA -0.205 4.048 4.340 -0.145 0.000 0.204 541 Q C 2.117 178.063 176.000 -0.090 0.000 0.984 541 Q CA 2.083 57.819 55.803 -0.112 0.000 0.846 541 Q CB -0.354 28.313 28.738 -0.119 0.000 0.902 541 Q HN 0.524 nan 8.270 nan 0.000 0.421 542 G N 0.043 108.806 108.800 -0.061 0.000 2.650 542 G HA2 -0.210 3.663 3.960 -0.145 0.000 0.214 542 G HA3 -0.210 3.663 3.960 -0.145 0.000 0.214 542 G C 1.075 175.951 174.900 -0.040 0.000 1.136 542 G CA 0.624 45.695 45.100 -0.050 0.000 0.789 542 G HN 0.592 nan 8.290 nan 0.000 0.536 543 E N -0.383 119.797 120.200 -0.034 0.000 2.318 543 E HA 0.129 4.392 4.350 -0.145 0.000 0.193 543 E C 0.958 177.544 176.600 -0.022 0.000 0.998 543 E CA -0.369 56.018 56.400 -0.021 0.000 0.859 543 E CB -0.108 29.586 29.700 -0.010 0.000 0.812 543 E HN 0.272 nan 8.360 nan 0.000 0.492 544 L N 1.560 122.761 121.223 -0.037 0.000 2.467 544 L HA 0.085 4.338 4.340 -0.145 0.000 0.270 544 L C 1.227 178.068 176.870 -0.049 0.000 1.205 544 L CA -0.067 54.751 54.840 -0.037 0.000 0.828 544 L CB 0.651 42.668 42.059 -0.071 0.000 1.101 544 L HN 0.064 nan 8.230 nan 0.000 0.479 545 K N 0.893 121.261 120.400 -0.052 0.000 2.354 545 K HA 0.165 4.398 4.320 -0.145 0.000 0.194 545 K C -0.012 176.540 176.600 -0.080 0.000 1.038 545 K CA 0.178 56.424 56.287 -0.068 0.000 1.052 545 K CB 0.650 33.102 32.500 -0.080 0.000 0.861 545 K HN 0.510 nan 8.250 nan 0.000 0.535 546 Q N 0.602 120.358 119.800 -0.073 0.000 2.348 546 Q HA 0.400 4.653 4.340 -0.145 0.000 0.271 546 Q C -2.564 173.402 176.000 -0.056 0.000 1.067 546 Q CA -2.342 53.420 55.803 -0.068 0.000 0.839 546 Q CB 1.310 30.002 28.738 -0.077 0.000 1.354 546 Q HN -0.116 nan 8.270 nan 0.000 0.447 547 P HA 0.000 nan 4.420 nan 0.000 0.265 547 P C -0.508 176.758 177.300 -0.056 0.000 1.193 547 P CA 0.318 63.379 63.100 -0.066 0.000 0.765 547 P CB 0.446 32.114 31.700 -0.053 0.000 0.823 548 S N 1.956 117.559 115.700 -0.161 0.000 2.204 548 S HA 0.292 4.675 4.470 -0.145 0.000 0.178 548 S C -1.881 172.554 174.600 -0.276 0.000 1.493 548 S CA -1.045 56.957 58.200 -0.331 0.000 1.266 548 S CB 0.481 63.093 63.200 -0.979 0.000 1.232 548 S HN 0.227 nan 8.310 nan 0.000 0.406 549 P HA -0.059 nan 4.420 nan 0.000 0.218 549 P C 1.214 178.428 177.300 -0.143 0.000 1.149 549 P CA 1.124 64.153 63.100 -0.119 0.000 0.817 549 P CB 0.164 31.818 31.700 -0.078 0.000 0.785 550 E N -0.397 119.707 120.200 -0.160 0.000 2.136 550 E HA -0.221 4.042 4.350 -0.145 0.000 0.208 550 E C 1.925 178.389 176.600 -0.227 0.000 1.035 550 E CA 1.235 57.439 56.400 -0.326 0.000 0.838 550 E CB -1.028 28.269 29.700 -0.671 0.000 0.748 550 E HN 0.086 nan 8.360 nan 0.000 0.459 551 L N 0.967 122.038 121.223 -0.253 0.000 2.056 551 L HA -0.156 4.097 4.340 -0.145 0.000 0.207 551 L C 1.539 178.427 176.870 0.030 0.000 1.078 551 L CA 1.837 56.636 54.840 -0.067 0.000 0.749 551 L CB -0.638 41.268 42.059 -0.255 0.000 0.901 551 L HN 0.166 nan 8.230 nan 0.000 0.433 552 D N -0.574 119.796 120.400 -0.050 0.000 2.149 552 D HA -0.210 4.343 4.640 -0.145 0.000 0.198 552 D C 2.047 178.365 176.300 0.030 0.000 0.990 552 D CA 1.425 55.418 54.000 -0.012 0.000 0.839 552 D CB 0.194 40.965 40.800 -0.050 0.000 0.948 552 D HN 0.427 nan 8.370 nan 0.000 0.460 553 A N 1.268 124.080 122.820 -0.013 0.000 1.865 553 A HA -0.175 4.058 4.320 -0.145 0.000 0.217 553 A C 2.247 179.975 177.584 0.241 0.000 1.191 553 A CA 1.207 53.199 52.037 -0.075 0.000 0.623 553 A CB -0.830 17.917 19.000 -0.422 0.000 0.826 553 A HN 0.243 nan 8.150 nan 0.000 0.444 554 L N -0.140 121.342 121.223 0.432 0.000 2.005 554 L HA -0.094 4.158 4.340 -0.145 0.000 0.207 554 L C 2.295 179.503 176.870 0.564 0.000 1.072 554 L CA 1.876 57.068 54.840 0.586 0.000 0.744 554 L CB -0.431 41.999 42.059 0.618 0.000 0.895 554 L HN 0.432 nan 8.230 nan 0.000 0.433 555 I N 0.381 121.207 120.570 0.427 0.000 2.145 555 I HA -0.383 3.700 4.170 -0.145 0.000 0.244 555 I C 2.483 178.820 176.117 0.366 0.000 1.075 555 I CA 1.556 63.040 61.300 0.307 0.000 1.332 555 I CB -0.711 37.349 38.000 0.100 0.000 1.033 555 I HN 0.433 nan 8.210 nan 0.000 0.410 556 A N 0.208 123.188 122.820 0.267 0.000 2.216 556 A HA 0.202 4.435 4.320 -0.145 0.000 0.214 556 A C 1.752 179.469 177.584 0.220 0.000 1.160 556 A CA 0.970 53.128 52.037 0.201 0.000 0.725 556 A CB -0.764 18.305 19.000 0.116 0.000 0.784 556 A HN 0.707 nan 8.150 nan 0.000 0.472 557 G N -0.275 108.690 108.800 0.275 0.000 2.164 557 G HA2 -0.206 3.667 3.960 -0.145 0.000 0.212 557 G HA3 -0.206 3.667 3.960 -0.145 0.000 0.212 557 G C -0.011 174.874 174.900 -0.026 0.000 1.031 557 G CA 0.130 45.250 45.100 0.034 0.000 0.730 557 G HN 1.317 nan 8.290 nan 0.000 0.501 558 H N -0.425 118.617 119.070 -0.046 0.000 2.547 558 H HA 0.639 5.108 4.556 -0.144 0.000 0.362 558 H C -2.516 172.762 175.328 -0.083 0.000 1.181 558 H CA -1.666 54.359 56.048 -0.038 0.000 1.376 558 H CB 0.692 30.469 29.762 0.025 0.000 1.488 558 H HN 0.098 nan 8.280 nan 0.000 0.583 559 P HA -0.013 nan 4.420 nan 0.000 0.267 559 P C -0.556 176.435 177.300 -0.514 0.000 1.200 559 P CA -0.128 62.759 63.100 -0.355 0.000 0.772 559 P CB 0.565 32.176 31.700 -0.150 0.000 0.855 560 V N 1.865 121.615 119.914 -0.274 0.000 2.435 560 V HA 0.535 4.568 4.120 -0.145 0.000 0.290 560 V C 0.500 176.545 176.094 -0.082 0.000 1.030 560 V CA -1.066 61.121 62.300 -0.188 0.000 0.881 560 V CB 1.058 32.820 31.823 -0.101 0.000 0.983 560 V HN 0.666 nan 8.190 nan 0.000 0.445 561 A N 3.369 126.172 122.820 -0.028 0.000 2.477 561 A HA 0.421 4.654 4.320 -0.145 0.000 0.246 561 A C 0.081 177.747 177.584 0.137 0.000 1.078 561 A CA -0.007 52.075 52.037 0.074 0.000 0.770 561 A CB 0.177 19.217 19.000 0.068 0.000 1.011 561 A HN 1.105 nan 8.150 nan 0.000 0.494 562 C N 4.009 123.381 119.300 0.119 0.000 2.383 562 C HA 0.537 4.910 4.460 -0.145 0.000 0.330 562 C C 0.213 174.907 174.990 -0.494 0.000 1.168 562 C CA -0.904 58.078 59.018 -0.060 0.000 1.374 562 C CB -0.263 27.436 27.740 -0.069 0.000 2.014 562 C HN 1.015 nan 8.230 nan 0.000 0.439 563 K N 3.767 123.404 120.400 -1.272 0.000 2.485 563 K HA 0.258 4.491 4.320 -0.145 0.000 0.277 563 K C 0.655 176.760 176.600 -0.826 0.000 0.990 563 K CA 0.630 55.981 56.287 -1.559 0.000 0.994 563 K CB 0.660 32.134 32.500 -1.709 0.000 0.906 563 K HN 0.864 nan 8.250 nan 0.000 0.488 564 T N 0.582 114.778 114.554 -0.598 0.000 2.934 564 T HA 0.301 4.564 4.350 -0.145 0.000 0.283 564 T C 0.449 175.001 174.700 -0.246 0.000 1.005 564 T CA -0.853 61.040 62.100 -0.345 0.000 1.041 564 T CB 1.269 69.967 68.868 -0.284 0.000 1.042 564 T HN 0.620 nan 8.240 nan 0.000 0.505 565 N N -0.003 118.590 118.700 -0.179 0.000 2.325 565 N HA 0.094 4.747 4.740 -0.145 0.000 0.220 565 N C 1.113 176.498 175.510 -0.208 0.000 1.176 565 N CA 0.007 52.963 53.050 -0.155 0.000 0.861 565 N CB 0.384 38.775 38.487 -0.161 0.000 1.230 565 N HN 0.482 nan 8.380 nan 0.000 0.479 566 L N 1.838 122.981 121.223 -0.134 0.000 2.269 566 L HA 0.276 4.528 4.340 -0.145 0.000 0.200 566 L C 2.128 179.034 176.870 0.059 0.000 1.069 566 L CA 1.630 56.445 54.840 -0.041 0.000 0.804 566 L CB -0.556 41.543 42.059 0.067 0.000 0.987 566 L HN -0.156 nan 8.230 nan 0.000 0.468 567 K N -0.613 119.814 120.400 0.045 0.000 2.063 567 K HA -0.180 4.053 4.320 -0.145 0.000 0.208 567 K C 2.071 178.680 176.600 0.015 0.000 1.048 567 K CA 1.898 58.212 56.287 0.045 0.000 0.928 567 K CB -0.345 31.979 32.500 -0.294 0.000 0.713 567 K HN 0.267 nan 8.250 nan 0.000 0.442 568 V N 1.499 121.388 119.914 -0.042 0.000 2.469 568 V HA -0.206 3.827 4.120 -0.145 0.000 0.251 568 V C 2.150 178.248 176.094 0.006 0.000 1.064 568 V CA 1.629 63.913 62.300 -0.027 0.000 1.066 568 V CB -0.383 31.410 31.823 -0.051 0.000 0.667 568 V HN 0.355 nan 8.190 nan 0.000 0.461 569 R N -0.676 119.830 120.500 0.009 0.000 2.200 569 R HA 0.139 4.392 4.340 -0.145 0.000 0.208 569 R C 2.054 178.373 176.300 0.032 0.000 1.033 569 R CA 0.950 57.062 56.100 0.019 0.000 1.000 569 R CB -0.386 29.917 30.300 0.005 0.000 0.906 569 R HN 0.488 nan 8.270 nan 0.000 0.462 570 L N 0.246 121.500 121.223 0.052 0.000 2.127 570 L HA 0.125 4.378 4.340 -0.145 0.000 0.203 570 L C 1.296 178.197 176.870 0.052 0.000 1.080 570 L CA 0.288 55.164 54.840 0.061 0.000 0.768 570 L CB -0.476 41.645 42.059 0.104 0.000 0.924 570 L HN -0.024 nan 8.230 nan 0.000 0.444 571 A N 0.647 123.498 122.820 0.053 0.000 2.406 571 A HA 0.499 4.732 4.320 -0.145 0.000 0.243 571 A C 0.502 178.103 177.584 0.029 0.000 1.082 571 A CA 0.004 52.064 52.037 0.039 0.000 0.786 571 A CB 0.097 19.115 19.000 0.031 0.000 1.029 571 A HN 0.248 nan 8.150 nan 0.000 0.495 572 A N 0.691 123.525 122.820 0.025 0.000 2.531 572 A HA 0.279 4.512 4.320 -0.145 0.000 0.236 572 A C 0.797 178.395 177.584 0.024 0.000 1.062 572 A CA 0.438 52.489 52.037 0.023 0.000 0.760 572 A CB -0.246 18.766 19.000 0.019 0.000 0.995 572 A HN 0.902 nan 8.150 nan 0.000 0.501 573 E N 1.576 121.792 120.200 0.027 0.000 2.333 573 E HA -0.067 4.196 4.350 -0.145 0.000 0.198 573 E C 1.683 178.301 176.600 0.030 0.000 1.007 573 E CA 1.430 57.848 56.400 0.030 0.000 0.845 573 E CB -0.049 29.671 29.700 0.034 0.000 0.766 573 E HN 0.746 nan 8.360 nan 0.000 0.507 574 A N 0.601 123.437 122.820 0.026 0.000 2.275 574 A HA 0.003 4.236 4.320 -0.145 0.000 0.212 574 A C 0.486 178.083 177.584 0.021 0.000 1.201 574 A CA -0.108 51.944 52.037 0.024 0.000 0.843 574 A CB 0.221 19.234 19.000 0.022 0.000 0.873 574 A HN 0.029 nan 8.150 nan 0.000 0.492 575 D N 0.144 120.556 120.400 0.021 0.000 2.468 575 D HA 0.271 4.824 4.640 -0.145 0.000 0.218 575 D C 1.021 177.332 176.300 0.019 0.000 1.155 575 D CA -0.234 53.777 54.000 0.018 0.000 0.924 575 D CB 0.357 41.168 40.800 0.018 0.000 1.029 575 D HN 0.221 nan 8.370 nan 0.000 0.515 576 R N 1.480 121.992 120.500 0.019 0.000 2.153 576 R HA -0.008 4.245 4.340 -0.145 0.000 0.218 576 R C 2.045 178.362 176.300 0.028 0.000 1.072 576 R CA 0.613 56.728 56.100 0.026 0.000 0.990 576 R CB 0.212 30.524 30.300 0.020 0.000 0.889 576 R HN 0.467 nan 8.270 nan 0.000 0.452 577 Q N 0.258 120.068 119.800 0.015 0.000 2.152 577 Q HA -0.178 4.075 4.340 -0.145 0.000 0.206 577 Q C 1.995 178.001 176.000 0.011 0.000 0.985 577 Q CA 1.837 57.647 55.803 0.011 0.000 0.863 577 Q CB -0.248 28.491 28.738 0.002 0.000 0.904 577 Q HN 0.362 nan 8.270 nan 0.000 0.422 578 A N 1.198 124.018 122.820 0.001 0.000 2.168 578 A HA -0.071 4.162 4.320 -0.145 0.000 0.215 578 A C 2.222 179.776 177.584 -0.050 0.000 1.152 578 A CA 1.207 53.226 52.037 -0.030 0.000 0.716 578 A CB -0.289 18.700 19.000 -0.018 0.000 0.794 578 A HN 0.437 nan 8.150 nan 0.000 0.465 579 S N -2.184 113.514 115.700 -0.002 0.000 2.522 579 S HA 0.141 4.524 4.470 -0.145 0.000 0.227 579 S C 0.176 174.685 174.600 -0.153 0.000 0.986 579 S CA 0.209 58.385 58.200 -0.039 0.000 0.929 579 S CB -0.366 62.868 63.200 0.058 0.000 0.769 579 S HN 0.449 nan 8.310 nan 0.000 0.529 580 Y N 0.139 120.360 120.300 -0.132 0.000 2.553 580 Y HA 0.616 5.082 4.550 -0.141 0.000 0.347 580 Y C -0.205 175.606 175.900 -0.148 0.000 1.019 580 Y CA -1.138 56.870 58.100 -0.155 0.000 1.032 580 Y CB 2.223 40.608 38.460 -0.125 0.000 1.284 580 Y HN 0.084 nan 8.280 nan 0.000 0.466 581 V N -0.642 119.270 119.914 -0.004 0.000 3.156 581 V HA 0.755 4.788 4.120 -0.145 0.000 0.311 581 V C -1.085 175.009 176.094 0.000 0.000 1.208 581 V CA -1.337 60.941 62.300 -0.036 0.000 1.063 581 V CB 2.338 34.088 31.823 -0.122 0.000 1.098 581 V HN 0.653 nan 8.190 nan 0.000 0.452 582 R N 0.935 121.420 120.500 -0.025 0.000 2.494 582 R HA 0.752 5.005 4.340 -0.145 0.000 0.305 582 R C -1.390 174.891 176.300 -0.031 0.000 0.959 582 R CA -0.511 55.574 56.100 -0.025 0.000 0.864 582 R CB 1.794 32.077 30.300 -0.029 0.000 1.159 582 R HN 0.749 nan 8.270 nan 0.000 0.446 583 L N 3.660 124.877 121.223 -0.009 0.000 2.342 583 L HA 0.516 4.768 4.340 -0.145 0.000 0.271 583 L C -2.221 174.650 176.870 0.002 0.000 1.008 583 L CA -2.400 52.465 54.840 0.043 0.000 0.818 583 L CB 2.200 44.369 42.059 0.184 0.000 1.296 583 L HN 0.230 nan 8.230 nan 0.000 0.427 584 P HA 0.058 nan 4.420 nan 0.000 0.271 584 P C -0.690 176.376 177.300 -0.390 0.000 1.216 584 P CA -0.465 62.515 63.100 -0.200 0.000 0.776 584 P CB 0.726 32.316 31.700 -0.183 0.000 0.881 585 S N 3.383 118.766 115.700 -0.528 0.000 2.549 585 S HA 0.164 4.547 4.470 -0.145 0.000 0.283 585 S C -1.638 172.324 174.600 -1.063 0.000 1.320 585 S CA -0.752 56.871 58.200 -0.962 0.000 1.058 585 S CB -0.155 62.372 63.200 -1.123 0.000 0.882 585 S HN 0.372 nan 8.310 nan 0.000 0.498 586 P HA 0.243 nan 4.420 nan 0.000 0.255 586 P C -0.668 176.344 177.300 -0.479 0.000 1.427 586 P CA 0.019 62.501 63.100 -1.029 0.000 0.863 586 P CB -0.703 30.050 31.700 -1.578 0.000 1.444 587 W N 0.000 121.087 121.300 -0.355 0.000 2.388 587 W HA 0.000 4.575 4.660 -0.142 0.000 0.303 587 W CA 0.000 57.242 57.345 -0.171 0.000 1.226 587 W CB 0.000 29.400 29.460 -0.101 0.000 1.126 587 W HN 0.000 nan 8.180 nan 0.000 0.535