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 2d5b_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEKVFYVTTP IYYVNAEPHL GHAYTTVVAD FLARWHRLDG YRTFFLTGTD DATA SEQUENCE EHGETVYRAA QAAGEDPKAF VDRVSGRFKR AWDLLGIAYD DFIRTTEERH DATA SEQUENCE KKVVQLVLKK VYEAGDIYYG EYEGLYCVSC ERFYTEKELV EGLCPIHGRP DATA SEQUENCE VERRKEGNYF FRMEKYRPWL QEYIQENPDL IRPEGYRNEV LAMLAEPIGD DATA SEQUENCE LSISRPKSRV PWGIPLPWDE NHVTFVWFDA LLNYVSALDY PEGEAYRTFW DATA SEQUENCE PHAWHLIGKD ILKPHAVFWP TMLKAAGIPM YRHLNVGGFL LGPDGRKMSK DATA SEQUENCE TLGNVVDPFA LLEKYGRDAL RYYLLREIPY GQDTPVSEEA LRTRYEADLA DATA SEQUENCE DDLGNLVQRT RAMLFRFAEG RIPEPVAGEE LAEGTGLAGR LRPLVRELKF DATA SEQUENCE HVALEEAMAY VKALNRYINE KKPWELFKKE PEEARAVLYR VVEGLRIASI DATA SEQUENCE LLTPAMPDKM AELRRALGLK EEVRLEEAER WGLAEPRPIP EEAPVLFPKK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.272 176.300 -0.046 0.000 1.140 1 M CA 0.000 55.293 55.300 -0.011 0.000 0.988 1 M CB 0.000 32.590 32.600 -0.016 0.000 1.302 2 E N 2.274 122.451 120.200 -0.038 0.000 2.257 2 E HA 0.156 4.506 4.350 0.001 0.000 0.278 2 E C -0.688 175.831 176.600 -0.134 0.000 1.049 2 E CA 0.126 56.479 56.400 -0.078 0.000 0.876 2 E CB 0.707 30.375 29.700 -0.054 0.000 1.035 2 E HN 0.247 nan 8.360 nan 0.000 0.419 3 K N 2.587 122.845 120.400 -0.238 0.000 2.284 3 K HA 0.285 4.606 4.320 0.001 0.000 0.287 3 K C -0.814 175.644 176.600 -0.237 0.000 1.081 3 K CA -0.296 55.720 56.287 -0.452 0.000 0.910 3 K CB 0.932 32.887 32.500 -0.908 0.000 1.088 3 K HN 0.178 nan 8.250 nan 0.000 0.478 4 V N 4.138 123.978 119.914 -0.123 0.000 2.735 4 V HA 0.483 4.604 4.120 0.001 0.000 0.310 4 V C -1.188 175.021 176.094 0.193 0.000 1.061 4 V CA -0.973 61.292 62.300 -0.058 0.000 0.913 4 V CB 1.504 33.000 31.823 -0.546 0.000 1.005 4 V HN 0.588 nan 8.190 nan 0.000 0.428 5 F N 4.933 124.991 119.950 0.180 0.000 2.557 5 F HA 0.701 5.228 4.527 0.001 0.000 0.316 5 F C -1.664 174.244 175.800 0.178 0.000 1.141 5 F CA -0.820 57.140 58.000 -0.066 0.000 0.922 5 F CB 1.734 40.455 39.000 -0.465 0.000 1.194 5 F HN 0.512 nan 8.300 nan 0.000 0.443 6 Y N 6.813 126.692 120.300 -0.702 0.000 2.346 6 Y HA 0.700 5.250 4.550 0.001 0.000 0.332 6 Y C -2.069 173.408 175.900 -0.704 0.000 0.985 6 Y CA -1.560 56.314 58.100 -0.378 0.000 1.112 6 Y CB 1.357 39.868 38.460 0.085 0.000 1.170 6 Y HN 0.550 nan 8.280 nan 0.000 0.447 7 V N 6.568 126.117 119.914 -0.608 0.000 2.789 7 V HA 0.843 4.963 4.120 0.001 0.000 0.311 7 V C -0.948 174.977 176.094 -0.282 0.000 1.073 7 V CA 0.080 62.047 62.300 -0.555 0.000 0.921 7 V CB 2.238 33.809 31.823 -0.419 0.000 1.009 7 V HN 0.988 nan 8.190 nan 0.000 0.426 8 T N 1.827 116.227 114.554 -0.255 0.000 2.916 8 T HA 0.829 5.180 4.350 0.001 0.000 0.292 8 T C -0.295 174.404 174.700 -0.002 0.000 1.055 8 T CA -0.095 61.971 62.100 -0.057 0.000 1.009 8 T CB 1.862 70.665 68.868 -0.109 0.000 1.118 8 T HN 1.066 nan 8.240 nan 0.000 0.497 9 T N -0.835 113.749 114.554 0.049 0.000 2.930 9 T HA 0.760 5.111 4.350 0.001 0.000 0.290 9 T C -3.083 171.573 174.700 -0.073 0.000 1.052 9 T CA -2.275 59.819 62.100 -0.010 0.000 1.017 9 T CB 1.058 69.912 68.868 -0.024 0.000 1.137 9 T HN 0.468 nan 8.240 nan 0.000 0.511 10 P HA 0.315 nan 4.420 nan 0.000 0.271 10 P C -0.189 176.675 177.300 -0.726 0.000 1.218 10 P CA -0.685 62.268 63.100 -0.245 0.000 0.780 10 P CB 0.142 31.780 31.700 -0.104 0.000 0.901 11 I N 0.069 120.296 120.570 -0.571 0.000 2.441 11 I HA 0.346 4.516 4.170 0.001 0.000 0.287 11 I C -0.560 175.162 176.117 -0.659 0.000 1.049 11 I CA -0.587 60.292 61.300 -0.702 0.000 1.381 11 I CB 0.086 37.734 38.000 -0.585 0.000 1.409 11 I HN 0.186 nan 8.210 nan 0.000 0.523 12 Y N 4.596 124.617 120.300 -0.464 0.000 2.354 12 Y HA 0.260 4.810 4.550 0.001 0.000 0.322 12 Y C 0.105 175.800 175.900 -0.343 0.000 1.253 12 Y CA -0.793 57.042 58.100 -0.442 0.000 1.272 12 Y CB 0.255 38.207 38.460 -0.847 0.000 1.255 12 Y HN 0.523 nan 8.280 nan 0.000 0.500 13 Y N 1.489 121.771 120.300 -0.031 0.000 2.802 13 Y HA -0.023 4.527 4.550 0.001 0.000 0.333 13 Y C 1.309 177.235 175.900 0.044 0.000 1.244 13 Y CA -0.128 57.973 58.100 0.001 0.000 1.558 13 Y CB 0.321 38.834 38.460 0.088 0.000 1.233 13 Y HN 0.567 nan 8.280 nan 0.000 0.547 14 V N 5.942 125.639 119.914 -0.362 0.000 2.469 14 V HA -0.305 3.816 4.120 0.001 0.000 0.251 14 V C 1.699 177.593 176.094 -0.333 0.000 1.064 14 V CA 2.686 64.818 62.300 -0.281 0.000 1.066 14 V CB -0.484 31.210 31.823 -0.215 0.000 0.667 14 V HN 0.946 nan 8.190 nan 0.000 0.461 15 N N -0.710 117.506 118.700 -0.807 0.000 2.268 15 N HA 0.198 4.939 4.740 0.001 0.000 0.204 15 N C 0.479 175.892 175.510 -0.163 0.000 1.124 15 N CA 0.339 53.113 53.050 -0.460 0.000 0.838 15 N CB 0.146 38.479 38.487 -0.258 0.000 0.994 15 N HN 0.534 nan 8.380 nan 0.000 0.489 16 A N 1.114 123.931 122.820 -0.004 0.000 2.407 16 A HA 0.083 4.403 4.320 0.001 0.000 0.248 16 A C 0.168 177.767 177.584 0.026 0.000 1.082 16 A CA -0.264 51.938 52.037 0.276 0.000 0.785 16 A CB 0.377 19.672 19.000 0.493 0.000 1.020 16 A HN 0.467 nan 8.150 nan 0.000 0.489 17 E N 2.217 122.446 120.200 0.048 0.000 2.180 17 E HA 0.270 4.621 4.350 0.001 0.000 0.283 17 E C -2.358 174.192 176.600 -0.083 0.000 1.061 17 E CA -1.773 54.582 56.400 -0.074 0.000 0.861 17 E CB 0.301 30.018 29.700 0.027 0.000 1.056 17 E HN 0.325 nan 8.360 nan 0.000 0.407 18 P HA -0.030 nan 4.420 nan 0.000 0.264 18 P C -1.003 176.476 177.300 0.298 0.000 1.193 18 P CA 0.680 63.686 63.100 -0.157 0.000 0.763 18 P CB 0.283 31.706 31.700 -0.461 0.000 0.810 19 H N 1.022 120.371 119.070 0.465 0.000 2.927 19 H HA 0.347 4.903 4.556 0.001 0.000 0.316 19 H C 0.566 175.953 175.328 0.099 0.000 1.403 19 H CA -0.935 55.220 56.048 0.179 0.000 1.288 19 H CB 0.338 30.113 29.762 0.022 0.000 1.944 19 H HN 0.142 nan 8.280 nan 0.000 0.629 20 L N 1.110 122.485 121.223 0.253 0.000 2.079 20 L HA -0.050 4.291 4.340 0.001 0.000 0.210 20 L C 2.332 179.333 176.870 0.218 0.000 1.081 20 L CA 2.410 57.335 54.840 0.142 0.000 0.752 20 L CB -1.067 41.007 42.059 0.025 0.000 0.896 20 L HN 0.930 nan 8.230 nan 0.000 0.433 21 G N -1.859 107.079 108.800 0.231 0.000 2.421 21 G HA2 -0.261 3.699 3.960 0.001 0.000 0.216 21 G HA3 -0.261 3.699 3.960 0.001 0.000 0.216 21 G C 1.434 176.524 174.900 0.316 0.000 1.171 21 G CA 0.846 46.069 45.100 0.205 0.000 0.775 21 G HN 0.543 nan 8.290 nan 0.000 0.543 22 H N 1.032 120.321 119.070 0.364 0.000 2.321 22 H HA -0.003 4.554 4.556 0.001 0.000 0.300 22 H C 2.962 178.563 175.328 0.454 0.000 1.087 22 H CA 1.278 57.434 56.048 0.179 0.000 1.319 22 H CB -0.796 29.000 29.762 0.056 0.000 1.379 22 H HN 0.379 nan 8.280 nan 0.000 0.501 23 A N 0.985 124.142 122.820 0.562 0.000 1.883 23 A HA -0.248 4.073 4.320 0.001 0.000 0.217 23 A C 2.379 180.138 177.584 0.291 0.000 1.186 23 A CA 1.722 54.024 52.037 0.442 0.000 0.624 23 A CB -1.167 17.977 19.000 0.240 0.000 0.822 23 A HN 0.453 nan 8.150 nan 0.000 0.444 24 Y N 1.273 121.673 120.300 0.166 0.000 2.097 24 Y HA -0.223 4.327 4.550 0.001 0.000 0.282 24 Y C 2.721 178.697 175.900 0.126 0.000 1.152 24 Y CA 2.500 60.664 58.100 0.106 0.000 1.136 24 Y CB -0.896 37.609 38.460 0.075 0.000 0.975 24 Y HN 0.315 nan 8.280 nan 0.000 0.498 25 T N -0.503 114.165 114.554 0.188 0.000 2.720 25 T HA -0.206 4.144 4.350 0.001 0.000 0.268 25 T C 1.708 176.408 174.700 -0.002 0.000 1.037 25 T CA 2.220 64.397 62.100 0.127 0.000 1.144 25 T CB -0.667 68.402 68.868 0.334 0.000 0.864 25 T HN 0.459 nan 8.240 nan 0.000 0.444 26 T N 1.532 116.094 114.554 0.013 0.000 2.857 26 T HA -0.017 4.334 4.350 0.001 0.000 0.266 26 T C 2.175 176.811 174.700 -0.106 0.000 1.048 26 T CA 0.612 62.636 62.100 -0.127 0.000 1.139 26 T CB -0.433 68.086 68.868 -0.583 0.000 0.874 26 T HN 0.156 nan 8.240 nan 0.000 0.455 27 V N 1.286 121.139 119.914 -0.102 0.000 2.427 27 V HA -0.124 3.996 4.120 0.001 0.000 0.248 27 V C 2.644 178.603 176.094 -0.225 0.000 1.051 27 V CA 1.173 63.417 62.300 -0.093 0.000 1.048 27 V CB -0.550 31.242 31.823 -0.051 0.000 0.666 27 V HN 0.314 nan 8.190 nan 0.000 0.456 28 V N 0.249 119.924 119.914 -0.397 0.000 2.358 28 V HA -0.229 3.892 4.120 0.001 0.000 0.246 28 V C 2.688 178.505 176.094 -0.462 0.000 1.047 28 V CA 1.954 63.908 62.300 -0.577 0.000 1.035 28 V CB -1.050 30.381 31.823 -0.653 0.000 0.658 28 V HN 0.557 nan 8.190 nan 0.000 0.452 29 A N 0.013 122.608 122.820 -0.375 0.000 1.902 29 A HA -0.304 4.017 4.320 0.001 0.000 0.217 29 A C 2.036 179.139 177.584 -0.802 0.000 1.181 29 A CA 2.224 53.952 52.037 -0.514 0.000 0.623 29 A CB -0.715 18.013 19.000 -0.453 0.000 0.818 29 A HN 0.591 nan 8.150 nan 0.000 0.443 30 D N -1.549 118.500 120.400 -0.585 0.000 2.144 30 D HA -0.163 4.478 4.640 0.001 0.000 0.199 30 D C 1.608 177.779 176.300 -0.215 0.000 0.984 30 D CA 1.380 55.162 54.000 -0.362 0.000 0.834 30 D CB -0.238 40.589 40.800 0.044 0.000 0.955 30 D HN 0.397 nan 8.370 nan 0.000 0.465 31 F N 0.558 120.325 119.950 -0.304 0.000 2.102 31 F HA -0.095 4.433 4.527 0.001 0.000 0.298 31 F C 1.942 177.630 175.800 -0.186 0.000 1.105 31 F CA 1.234 59.095 58.000 -0.232 0.000 1.239 31 F CB -0.283 38.487 39.000 -0.384 0.000 0.991 31 F HN -0.020 nan 8.300 nan 0.000 0.474 32 L N -0.075 121.059 121.223 -0.148 0.000 2.012 32 L HA -0.252 4.088 4.340 0.001 0.000 0.210 32 L C 2.816 179.552 176.870 -0.225 0.000 1.073 32 L CA 1.375 56.136 54.840 -0.131 0.000 0.748 32 L CB -1.153 40.897 42.059 -0.015 0.000 0.891 32 L HN 0.282 nan 8.230 nan 0.000 0.431 33 A N -0.061 122.626 122.820 -0.222 0.000 1.858 33 A HA -0.220 4.101 4.320 0.001 0.000 0.216 33 A C 2.357 179.879 177.584 -0.104 0.000 1.190 33 A CA 1.645 53.616 52.037 -0.111 0.000 0.617 33 A CB -0.532 18.345 19.000 -0.205 0.000 0.827 33 A HN 0.312 nan 8.150 nan 0.000 0.443 34 R N -1.656 118.753 120.500 -0.151 0.000 2.091 34 R HA -0.177 4.163 4.340 0.001 0.000 0.238 34 R C 2.189 178.359 176.300 -0.217 0.000 1.136 34 R CA 1.503 57.516 56.100 -0.145 0.000 0.959 34 R CB -0.390 29.824 30.300 -0.142 0.000 0.856 34 R HN 0.864 nan 8.270 nan 0.000 0.437 35 W N 1.492 122.471 121.300 -0.535 0.000 2.355 35 W HA -0.216 4.445 4.660 0.001 0.000 0.309 35 W C 1.460 177.657 176.519 -0.537 0.000 1.206 35 W CA 1.785 58.770 57.345 -0.599 0.000 1.284 35 W CB -0.412 28.571 29.460 -0.796 0.000 1.145 35 W HN 0.225 nan 8.180 nan 0.000 0.502 36 H N -0.272 118.560 119.070 -0.397 0.000 2.389 36 H HA -0.053 4.504 4.556 0.001 0.000 0.299 36 H C 2.403 177.612 175.328 -0.198 0.000 1.081 36 H CA 2.398 58.129 56.048 -0.528 0.000 1.345 36 H CB -0.277 28.867 29.762 -1.030 0.000 1.393 36 H HN 0.048 nan 8.280 nan 0.000 0.520 37 R N -0.293 120.181 120.500 -0.042 0.000 2.081 37 R HA -0.103 4.238 4.340 0.001 0.000 0.235 37 R C 1.944 178.197 176.300 -0.079 0.000 1.131 37 R CA 1.047 57.153 56.100 0.010 0.000 0.960 37 R CB -0.370 29.937 30.300 0.011 0.000 0.856 37 R HN 0.173 nan 8.270 nan 0.000 0.436 38 L N 1.096 122.192 121.223 -0.211 0.000 2.131 38 L HA -0.150 4.190 4.340 0.001 0.000 0.210 38 L C 1.162 177.848 176.870 -0.307 0.000 1.092 38 L CA 1.719 56.388 54.840 -0.284 0.000 0.759 38 L CB -0.222 41.578 42.059 -0.431 0.000 0.903 38 L HN 0.028 nan 8.230 nan 0.000 0.435 39 D N -0.853 119.350 120.400 -0.328 0.000 2.336 39 D HA 0.191 4.832 4.640 0.001 0.000 0.228 39 D C 1.380 177.688 176.300 0.014 0.000 1.120 39 D CA 0.651 54.525 54.000 -0.209 0.000 0.839 39 D CB -0.219 40.416 40.800 -0.275 0.000 0.932 39 D HN 0.339 nan 8.370 nan 0.000 0.509 40 G N 0.102 108.906 108.800 0.006 0.000 2.143 40 G HA2 -0.318 3.643 3.960 0.001 0.000 0.248 40 G HA3 -0.318 3.643 3.960 0.001 0.000 0.248 40 G C -0.063 174.864 174.900 0.045 0.000 0.991 40 G CA 0.042 45.148 45.100 0.009 0.000 0.689 40 G HN 0.327 nan 8.290 nan 0.000 0.522 41 Y N 0.049 120.349 120.300 0.001 0.000 2.309 41 Y HA 0.480 5.030 4.550 0.001 0.000 0.327 41 Y C 1.205 177.171 175.900 0.110 0.000 1.172 41 Y CA -0.753 57.388 58.100 0.068 0.000 1.280 41 Y CB 0.709 39.255 38.460 0.143 0.000 1.234 41 Y HN 0.218 nan 8.280 nan 0.000 0.512 42 R N 2.171 122.819 120.500 0.247 0.000 2.288 42 R HA 0.258 4.598 4.340 0.001 0.000 0.330 42 R C -1.074 175.521 176.300 0.493 0.000 1.069 42 R CA 0.138 56.401 56.100 0.272 0.000 0.941 42 R CB -0.025 30.356 30.300 0.134 0.000 0.998 42 R HN 0.713 nan 8.270 nan 0.000 0.452 43 T N 4.790 119.634 114.554 0.483 0.000 2.856 43 T HA 0.413 4.764 4.350 0.001 0.000 0.283 43 T C -1.381 173.497 174.700 0.297 0.000 1.008 43 T CA -0.351 62.029 62.100 0.467 0.000 0.997 43 T CB 1.042 70.114 68.868 0.340 0.000 0.992 43 T HN 0.418 nan 8.240 nan 0.000 0.454 44 F N 3.557 123.426 119.950 -0.135 0.000 2.536 44 F HA 0.653 5.180 4.527 0.001 0.000 0.322 44 F C -1.689 174.176 175.800 0.109 0.000 1.144 44 F CA -1.661 56.112 58.000 -0.377 0.000 0.924 44 F CB 1.273 39.404 39.000 -1.448 0.000 1.181 44 F HN 0.489 nan 8.300 nan 0.000 0.438 45 F N 8.413 128.119 119.950 -0.408 0.000 2.445 45 F HA 0.632 5.160 4.527 0.001 0.000 0.348 45 F C -2.082 173.550 175.800 -0.281 0.000 1.125 45 F CA -1.732 56.148 58.000 -0.200 0.000 0.983 45 F CB 1.068 40.009 39.000 -0.097 0.000 1.198 45 F HN 0.340 nan 8.300 nan 0.000 0.436 46 L N 5.514 126.803 121.223 0.112 0.000 2.325 46 L HA 0.791 5.132 4.340 0.001 0.000 0.278 46 L C -0.408 176.330 176.870 -0.220 0.000 1.023 46 L CA 0.216 55.008 54.840 -0.080 0.000 0.811 46 L CB 1.895 44.121 42.059 0.279 0.000 1.249 46 L HN 0.772 nan 8.230 nan 0.000 0.431 47 T N 2.304 116.591 114.554 -0.446 0.000 2.787 47 T HA 0.932 5.283 4.350 0.001 0.000 0.297 47 T C -0.695 173.541 174.700 -0.774 0.000 1.221 47 T CA -0.040 61.720 62.100 -0.566 0.000 1.006 47 T CB 1.457 69.890 68.868 -0.726 0.000 1.328 47 T HN 1.098 nan 8.240 nan 0.000 0.509 48 G N 0.467 108.666 108.800 -1.003 0.000 2.317 48 G HA2 0.502 4.463 3.960 0.001 0.000 0.293 48 G HA3 0.502 4.463 3.960 0.001 0.000 0.293 48 G C -1.077 173.204 174.900 -1.032 0.000 1.287 48 G CA 0.087 44.389 45.100 -1.330 0.000 0.850 48 G HN 1.174 nan 8.290 nan 0.000 0.515 49 T N -1.577 112.536 114.554 -0.735 0.000 2.893 49 T HA 0.602 4.952 4.350 0.001 0.000 0.293 49 T C -1.590 172.871 174.700 -0.399 0.000 1.027 49 T CA -0.630 61.182 62.100 -0.480 0.000 0.988 49 T CB 2.418 71.158 68.868 -0.214 0.000 1.043 49 T HN 0.547 nan 8.240 nan 0.000 0.461 50 D N 1.483 121.678 120.400 -0.343 0.000 2.347 50 D HA 0.191 4.831 4.640 0.001 0.000 0.235 50 D C 0.419 176.613 176.300 -0.176 0.000 1.149 50 D CA -0.483 53.337 54.000 -0.299 0.000 0.850 50 D CB 0.825 41.468 40.800 -0.263 0.000 1.061 50 D HN 0.697 nan 8.370 nan 0.000 0.487 51 E N 2.956 123.013 120.200 -0.238 0.000 2.558 51 E HA 0.085 4.435 4.350 0.001 0.000 0.205 51 E C 0.018 176.704 176.600 0.142 0.000 1.006 51 E CA -0.484 55.882 56.400 -0.057 0.000 0.961 51 E CB 0.593 30.250 29.700 -0.072 0.000 1.044 51 E HN 0.461 nan 8.360 nan 0.000 0.465 52 H N 0.350 119.486 119.070 0.110 0.000 2.693 52 H HA 0.680 5.236 4.556 0.001 0.000 0.348 52 H C 0.785 176.256 175.328 0.238 0.000 1.222 52 H CA -0.067 56.023 56.048 0.070 0.000 1.270 52 H CB 1.609 31.272 29.762 -0.165 0.000 1.798 52 H HN 0.183 nan 8.280 nan 0.000 0.592 53 G N 0.408 109.449 108.800 0.401 0.000 2.570 53 G HA2 -0.155 3.805 3.960 0.001 0.000 0.686 53 G HA3 -0.155 3.805 3.960 0.001 0.000 0.686 53 G C 0.783 175.904 174.900 0.370 0.000 1.257 53 G CA 0.106 45.384 45.100 0.296 0.000 0.846 53 G HN 0.617 nan 8.290 nan 0.000 0.627 54 E N -0.387 119.955 120.200 0.237 0.000 2.208 54 E HA -0.083 4.267 4.350 0.001 0.000 0.193 54 E C 2.015 178.754 176.600 0.232 0.000 0.988 54 E CA 2.011 58.546 56.400 0.225 0.000 0.828 54 E CB -0.703 29.080 29.700 0.137 0.000 0.763 54 E HN 0.508 nan 8.360 nan 0.000 0.478 55 T N 1.762 116.435 114.554 0.198 0.000 2.708 55 T HA -0.096 4.254 4.350 0.001 0.000 0.266 55 T C 2.163 177.025 174.700 0.271 0.000 1.037 55 T CA 1.789 63.992 62.100 0.172 0.000 1.146 55 T CB -0.359 68.547 68.868 0.064 0.000 0.865 55 T HN 0.031 nan 8.240 nan 0.000 0.435 56 V N 0.424 120.582 119.914 0.406 0.000 2.287 56 V HA -0.197 3.924 4.120 0.001 0.000 0.248 56 V C 2.051 178.211 176.094 0.110 0.000 1.053 56 V CA 1.722 64.263 62.300 0.401 0.000 1.027 56 V CB -0.757 31.356 31.823 0.484 0.000 0.646 56 V HN 0.466 nan 8.190 nan 0.000 0.447 57 Y N 1.287 121.540 120.300 -0.079 0.000 2.128 57 Y HA -0.259 4.292 4.550 0.001 0.000 0.284 57 Y C 2.714 178.464 175.900 -0.249 0.000 1.154 57 Y CA 1.918 59.833 58.100 -0.309 0.000 1.149 57 Y CB -0.219 38.152 38.460 -0.148 0.000 0.976 57 Y HN 0.124 nan 8.280 nan 0.000 0.505 58 R N -0.489 119.987 120.500 -0.041 0.000 2.148 58 R HA -0.058 4.283 4.340 0.001 0.000 0.223 58 R C 2.451 178.612 176.300 -0.232 0.000 1.088 58 R CA 0.797 56.822 56.100 -0.125 0.000 0.985 58 R CB -0.466 29.845 30.300 0.018 0.000 0.880 58 R HN 0.402 nan 8.270 nan 0.000 0.451 59 A N 1.456 124.146 122.820 -0.218 0.000 1.898 59 A HA -0.086 4.234 4.320 0.001 0.000 0.216 59 A C 2.383 179.478 177.584 -0.815 0.000 1.181 59 A CA 1.587 53.441 52.037 -0.305 0.000 0.620 59 A CB -0.570 18.406 19.000 -0.041 0.000 0.819 59 A HN 0.363 nan 8.150 nan 0.000 0.442 60 A N -0.731 121.381 122.820 -1.181 0.000 1.877 60 A HA -0.225 4.096 4.320 0.001 0.000 0.216 60 A C 2.142 179.271 177.584 -0.758 0.000 1.186 60 A CA 1.715 52.903 52.037 -1.414 0.000 0.620 60 A CB -0.631 17.755 19.000 -1.023 0.000 0.822 60 A HN 0.638 nan 8.150 nan 0.000 0.443 61 Q N -0.790 118.631 119.800 -0.632 0.000 2.096 61 Q HA -0.143 4.197 4.340 0.001 0.000 0.204 61 Q C 2.431 178.247 176.000 -0.306 0.000 0.982 61 Q CA 1.472 57.010 55.803 -0.442 0.000 0.850 61 Q CB -0.386 28.105 28.738 -0.413 0.000 0.901 61 Q HN 0.694 nan 8.270 nan 0.000 0.422 62 A N 0.842 123.491 122.820 -0.286 0.000 1.933 62 A HA -0.078 4.242 4.320 0.001 0.000 0.218 62 A C 2.161 179.637 177.584 -0.179 0.000 1.175 62 A CA 1.511 53.435 52.037 -0.187 0.000 0.628 62 A CB -0.564 18.349 19.000 -0.144 0.000 0.814 62 A HN 0.391 nan 8.150 nan 0.000 0.444 63 A N -1.654 121.010 122.820 -0.260 0.000 2.206 63 A HA 0.389 4.709 4.320 0.001 0.000 0.211 63 A C 1.802 179.302 177.584 -0.140 0.000 1.158 63 A CA 1.223 53.156 52.037 -0.173 0.000 0.761 63 A CB -1.030 17.864 19.000 -0.178 0.000 0.801 63 A HN 1.912 nan 8.150 nan 0.000 0.473 64 G N -0.731 107.960 108.800 -0.182 0.000 2.176 64 G HA2 -0.230 3.731 3.960 0.001 0.000 0.252 64 G HA3 -0.230 3.731 3.960 0.001 0.000 0.252 64 G C -0.187 174.636 174.900 -0.128 0.000 1.024 64 G CA 0.537 45.554 45.100 -0.138 0.000 0.755 64 G HN 0.633 nan 8.290 nan 0.000 0.507 65 E N -0.479 119.615 120.200 -0.177 0.000 2.244 65 E HA 0.429 4.780 4.350 0.001 0.000 0.266 65 E C -0.491 176.005 176.600 -0.174 0.000 0.914 65 E CA -0.926 55.406 56.400 -0.115 0.000 0.794 65 E CB 1.411 31.117 29.700 0.010 0.000 1.210 65 E HN 0.261 nan 8.360 nan 0.000 0.414 66 D N 2.172 122.511 120.400 -0.102 0.000 2.424 66 D HA -0.003 4.637 4.640 0.001 0.000 0.244 66 D C -1.353 174.861 176.300 -0.143 0.000 1.134 66 D CA -1.311 52.618 54.000 -0.118 0.000 0.881 66 D CB 0.986 41.762 40.800 -0.039 0.000 1.191 66 D HN 0.058 nan 8.370 nan 0.000 0.445 67 P HA -0.256 nan 4.420 nan 0.000 0.215 67 P C 1.115 178.316 177.300 -0.166 0.000 1.157 67 P CA 1.422 64.231 63.100 -0.485 0.000 0.874 67 P CB 0.168 31.207 31.700 -1.101 0.000 0.790 68 K N 0.518 120.933 120.400 0.025 0.000 2.057 68 K HA -0.038 4.283 4.320 0.001 0.000 0.207 68 K C 2.199 178.889 176.600 0.150 0.000 1.049 68 K CA 1.671 58.122 56.287 0.272 0.000 0.931 68 K CB -1.298 31.391 32.500 0.316 0.000 0.714 68 K HN 0.002 nan 8.250 nan 0.000 0.440 69 A N -0.165 122.709 122.820 0.091 0.000 1.933 69 A HA -0.096 4.225 4.320 0.001 0.000 0.218 69 A C 2.148 179.773 177.584 0.068 0.000 1.175 69 A CA 1.392 53.465 52.037 0.061 0.000 0.628 69 A CB -0.839 18.185 19.000 0.040 0.000 0.814 69 A HN 0.449 nan 8.150 nan 0.000 0.444 70 F N 1.363 121.266 119.950 -0.079 0.000 2.075 70 F HA -0.203 4.325 4.527 0.001 0.000 0.297 70 F C 2.387 178.150 175.800 -0.063 0.000 1.113 70 F CA 2.360 60.302 58.000 -0.096 0.000 1.218 70 F CB -0.528 38.378 39.000 -0.156 0.000 0.984 70 F HN 0.124 nan 8.300 nan 0.000 0.472 71 V N -1.720 118.177 119.914 -0.030 0.000 2.490 71 V HA -0.216 3.905 4.120 0.001 0.000 0.250 71 V C 1.975 178.002 176.094 -0.111 0.000 1.061 71 V CA 2.145 64.380 62.300 -0.108 0.000 1.064 71 V CB -1.093 30.812 31.823 0.137 0.000 0.670 71 V HN 0.212 nan 8.190 nan 0.000 0.461 72 D N 0.586 120.962 120.400 -0.041 0.000 2.149 72 D HA -0.168 4.473 4.640 0.001 0.000 0.198 72 D C 2.265 178.498 176.300 -0.111 0.000 0.990 72 D CA 2.086 56.058 54.000 -0.046 0.000 0.839 72 D CB -0.218 40.577 40.800 -0.008 0.000 0.948 72 D HN 0.630 nan 8.370 nan 0.000 0.460 73 R N 0.655 121.061 120.500 -0.157 0.000 2.052 73 R HA -0.074 4.266 4.340 0.001 0.000 0.226 73 R C 2.268 178.410 176.300 -0.263 0.000 1.145 73 R CA 1.499 57.485 56.100 -0.190 0.000 0.952 73 R CB -0.322 29.877 30.300 -0.169 0.000 0.847 73 R HN 0.157 nan 8.270 nan 0.000 0.431 74 V N 0.384 120.050 119.914 -0.413 0.000 2.720 74 V HA -0.153 3.967 4.120 0.001 0.000 0.256 74 V C 2.196 178.127 176.094 -0.273 0.000 1.082 74 V CA 1.896 63.940 62.300 -0.426 0.000 1.101 74 V CB -0.734 30.667 31.823 -0.704 0.000 0.693 74 V HN 0.520 nan 8.190 nan 0.000 0.479 75 S N 1.378 116.957 115.700 -0.203 0.000 2.447 75 S HA 0.000 4.471 4.470 0.001 0.000 0.233 75 S C 2.015 176.536 174.600 -0.132 0.000 1.006 75 S CA 1.165 59.326 58.200 -0.066 0.000 0.957 75 S CB -1.060 62.128 63.200 -0.021 0.000 0.773 75 S HN 0.817 nan 8.310 nan 0.000 0.507 76 G N 1.487 110.161 108.800 -0.209 0.000 2.498 76 G HA2 -0.150 3.811 3.960 0.001 0.000 0.219 76 G HA3 -0.150 3.811 3.960 0.001 0.000 0.219 76 G C 1.481 176.218 174.900 -0.272 0.000 1.119 76 G CA 0.487 45.437 45.100 -0.249 0.000 0.766 76 G HN 0.556 nan 8.290 nan 0.000 0.552 77 R N -0.751 119.575 120.500 -0.289 0.000 2.073 77 R HA 0.003 4.343 4.340 0.001 0.000 0.234 77 R C 2.111 178.088 176.300 -0.539 0.000 1.134 77 R CA 1.191 57.042 56.100 -0.414 0.000 0.952 77 R CB -0.328 29.693 30.300 -0.465 0.000 0.850 77 R HN 0.399 nan 8.270 nan 0.000 0.433 78 F N 0.793 120.498 119.950 -0.409 0.000 2.206 78 F HA -0.062 4.465 4.527 0.001 0.000 0.298 78 F C 2.245 177.584 175.800 -0.768 0.000 1.090 78 F CA 1.259 58.878 58.000 -0.635 0.000 1.323 78 F CB 0.046 38.858 39.000 -0.314 0.000 1.028 78 F HN -0.050 nan 8.300 nan 0.000 0.492 79 K N -0.037 120.151 120.400 -0.354 0.000 2.097 79 K HA -0.202 4.119 4.320 0.001 0.000 0.206 79 K C 2.214 178.726 176.600 -0.147 0.000 1.049 79 K CA 1.252 57.346 56.287 -0.323 0.000 0.933 79 K CB -0.267 31.936 32.500 -0.494 0.000 0.717 79 K HN 0.179 nan 8.250 nan 0.000 0.442 80 R N 1.034 121.397 120.500 -0.228 0.000 2.073 80 R HA -0.126 4.214 4.340 0.001 0.000 0.234 80 R C 2.253 178.485 176.300 -0.113 0.000 1.134 80 R CA 1.430 57.429 56.100 -0.168 0.000 0.952 80 R CB -0.246 29.906 30.300 -0.247 0.000 0.850 80 R HN 0.179 nan 8.270 nan 0.000 0.433 81 A N 0.424 123.085 122.820 -0.266 0.000 1.908 81 A HA -0.179 4.141 4.320 0.001 0.000 0.218 81 A C 1.985 179.815 177.584 0.411 0.000 1.181 81 A CA 1.377 53.392 52.037 -0.036 0.000 0.627 81 A CB -1.077 17.721 19.000 -0.337 0.000 0.818 81 A HN 0.651 nan 8.150 nan 0.000 0.445 82 W N -0.654 120.837 121.300 0.319 0.000 2.436 82 W HA -0.078 4.583 4.660 0.001 0.000 0.284 82 W C 1.968 178.642 176.519 0.260 0.000 1.225 82 W CA 0.409 57.964 57.345 0.350 0.000 1.271 82 W CB -0.113 29.634 29.460 0.478 0.000 1.114 82 W HN 0.484 nan 8.180 nan 0.000 0.559 83 D N 0.928 121.564 120.400 0.394 0.000 2.097 83 D HA -0.168 4.473 4.640 0.001 0.000 0.197 83 D C 2.077 178.511 176.300 0.223 0.000 0.984 83 D CA 1.373 55.511 54.000 0.230 0.000 0.826 83 D CB -0.358 40.514 40.800 0.120 0.000 0.973 83 D HN 0.025 nan 8.370 nan 0.000 0.460 84 L N -0.113 121.255 121.223 0.243 0.000 2.042 84 L HA -0.136 4.205 4.340 0.001 0.000 0.210 84 L C 2.320 179.363 176.870 0.288 0.000 1.076 84 L CA 0.769 55.762 54.840 0.254 0.000 0.749 84 L CB -0.325 41.926 42.059 0.322 0.000 0.893 84 L HN 0.187 nan 8.230 nan 0.000 0.432 85 L N -0.387 121.060 121.223 0.373 0.000 2.599 85 L HA 0.094 4.435 4.340 0.001 0.000 0.230 85 L C 1.219 178.248 176.870 0.265 0.000 1.141 85 L CA 0.382 55.418 54.840 0.326 0.000 0.877 85 L CB -0.501 41.805 42.059 0.411 0.000 1.009 85 L HN 0.477 nan 8.230 nan 0.000 0.447 86 G N 1.196 110.144 108.800 0.247 0.000 2.272 86 G HA2 -0.243 3.717 3.960 0.001 0.000 0.280 86 G HA3 -0.243 3.717 3.960 0.001 0.000 0.280 86 G C 0.073 175.083 174.900 0.183 0.000 1.067 86 G CA -0.355 44.855 45.100 0.183 0.000 0.902 86 G HN 0.152 nan 8.290 nan 0.000 0.500 87 I N 0.727 121.441 120.570 0.241 0.000 2.379 87 I HA 0.444 4.615 4.170 0.001 0.000 0.290 87 I C 1.062 177.249 176.117 0.116 0.000 1.063 87 I CA -0.403 61.046 61.300 0.247 0.000 1.351 87 I CB 0.744 38.926 38.000 0.303 0.000 1.410 87 I HN 0.408 nan 8.210 nan 0.000 0.505 88 A N 8.454 131.354 122.820 0.134 0.000 3.078 88 A HA 0.345 4.666 4.320 0.001 0.000 0.279 88 A C -0.089 177.506 177.584 0.018 0.000 1.594 88 A CA -0.540 51.492 52.037 -0.009 0.000 1.301 88 A CB -0.917 18.108 19.000 0.042 0.000 1.162 88 A HN 0.567 nan 8.150 nan 0.000 0.585 89 Y N -1.261 118.937 120.300 -0.171 0.000 2.300 89 Y HA 0.467 5.017 4.550 0.001 0.000 0.328 89 Y C 0.462 176.163 175.900 -0.332 0.000 1.270 89 Y CA -1.357 56.375 58.100 -0.613 0.000 1.352 89 Y CB 0.672 38.537 38.460 -0.992 0.000 1.286 89 Y HN 0.361 nan 8.280 nan 0.000 0.536 90 D N -0.227 120.036 120.400 -0.228 0.000 2.327 90 D HA 0.005 4.645 4.640 0.001 0.000 0.205 90 D C -0.482 175.742 176.300 -0.126 0.000 0.989 90 D CA 1.205 55.036 54.000 -0.283 0.000 0.873 90 D CB 0.402 40.776 40.800 -0.710 0.000 0.955 90 D HN 0.623 nan 8.370 nan 0.000 0.515 91 D N -1.049 119.308 120.400 -0.072 0.000 2.717 91 D HA 0.196 4.837 4.640 0.001 0.000 0.223 91 D C -1.887 174.390 176.300 -0.039 0.000 1.240 91 D CA -0.647 53.401 54.000 0.079 0.000 0.801 91 D CB 1.589 42.465 40.800 0.127 0.000 1.556 91 D HN -0.207 nan 8.370 nan 0.000 0.462 92 F N 3.767 123.625 119.950 -0.153 0.000 2.430 92 F HA 0.481 5.009 4.527 0.001 0.000 0.362 92 F C -0.978 174.727 175.800 -0.159 0.000 1.103 92 F CA -0.953 56.855 58.000 -0.320 0.000 1.045 92 F CB 0.599 39.405 39.000 -0.325 0.000 1.276 92 F HN 0.256 nan 8.300 nan 0.000 0.444 93 I N 6.496 126.916 120.570 -0.251 0.000 2.371 93 I HA 0.375 4.546 4.170 0.001 0.000 0.290 93 I C -0.632 175.328 176.117 -0.261 0.000 1.028 93 I CA -0.042 61.155 61.300 -0.171 0.000 1.345 93 I CB 0.449 38.343 38.000 -0.177 0.000 1.407 93 I HN 0.520 nan 8.210 nan 0.000 0.501 94 R N 4.539 124.959 120.500 -0.133 0.000 2.387 94 R HA 0.280 4.620 4.340 0.001 0.000 0.314 94 R C 1.029 177.163 176.300 -0.276 0.000 0.958 94 R CA 0.037 56.041 56.100 -0.160 0.000 0.846 94 R CB 1.187 31.482 30.300 -0.008 0.000 1.147 94 R HN 0.773 nan 8.270 nan 0.000 0.447 95 T N -2.415 111.867 114.554 -0.455 0.000 3.077 95 T HA -0.142 4.209 4.350 0.001 0.000 0.269 95 T C 1.532 176.015 174.700 -0.360 0.000 1.146 95 T CA 1.475 63.216 62.100 -0.597 0.000 1.091 95 T CB -0.282 68.151 68.868 -0.725 0.000 0.892 95 T HN 0.673 nan 8.240 nan 0.000 0.533 96 T N -1.272 113.115 114.554 -0.278 0.000 3.100 96 T HA 0.188 4.539 4.350 0.001 0.000 0.253 96 T C 0.499 175.206 174.700 0.012 0.000 1.118 96 T CA -0.303 61.748 62.100 -0.082 0.000 1.058 96 T CB -0.285 68.584 68.868 0.001 0.000 0.953 96 T HN 0.514 nan 8.240 nan 0.000 0.515 97 E N 1.653 121.856 120.200 0.004 0.000 2.413 97 E HA 0.047 4.398 4.350 0.001 0.000 0.263 97 E C 0.834 177.473 176.600 0.065 0.000 1.015 97 E CA -0.403 56.020 56.400 0.039 0.000 0.916 97 E CB 0.630 30.352 29.700 0.037 0.000 0.947 97 E HN 0.214 nan 8.360 nan 0.000 0.440 98 E N 2.932 123.157 120.200 0.043 0.000 2.085 98 E HA -0.238 4.112 4.350 0.001 0.000 0.194 98 E C 2.014 178.632 176.600 0.029 0.000 0.994 98 E CA 1.348 57.764 56.400 0.026 0.000 0.801 98 E CB -0.140 29.569 29.700 0.015 0.000 0.743 98 E HN 0.544 nan 8.360 nan 0.000 0.453 99 R N 0.037 120.564 120.500 0.046 0.000 2.120 99 R HA -0.161 4.180 4.340 0.001 0.000 0.234 99 R C 2.210 178.545 176.300 0.059 0.000 1.123 99 R CA 1.797 57.924 56.100 0.045 0.000 0.975 99 R CB -0.681 29.655 30.300 0.059 0.000 0.866 99 R HN 0.188 nan 8.270 nan 0.000 0.446 100 H N 1.305 120.367 119.070 -0.014 0.000 2.363 100 H HA 0.001 4.557 4.556 0.001 0.000 0.301 100 H C 2.049 177.363 175.328 -0.023 0.000 1.074 100 H CA 2.017 58.049 56.048 -0.028 0.000 1.354 100 H CB 0.061 29.789 29.762 -0.057 0.000 1.397 100 H HN 0.256 nan 8.280 nan 0.000 0.516 101 K N 0.704 121.074 120.400 -0.051 0.000 2.063 101 K HA -0.178 4.143 4.320 0.001 0.000 0.208 101 K C 1.940 178.459 176.600 -0.136 0.000 1.048 101 K CA 1.717 57.935 56.287 -0.114 0.000 0.928 101 K CB 0.014 32.478 32.500 -0.060 0.000 0.713 101 K HN 0.273 nan 8.250 nan 0.000 0.442 102 K N 0.204 120.552 120.400 -0.087 0.000 2.097 102 K HA -0.083 4.238 4.320 0.001 0.000 0.205 102 K C 2.074 178.632 176.600 -0.070 0.000 1.050 102 K CA 1.292 57.536 56.287 -0.072 0.000 0.938 102 K CB -0.006 32.468 32.500 -0.044 0.000 0.718 102 K HN 0.020 nan 8.250 nan 0.000 0.442 103 V N 1.146 121.013 119.914 -0.078 0.000 2.358 103 V HA -0.192 3.928 4.120 0.001 0.000 0.246 103 V C 2.306 178.355 176.094 -0.076 0.000 1.047 103 V CA 1.329 63.607 62.300 -0.036 0.000 1.035 103 V CB -0.235 31.577 31.823 -0.018 0.000 0.658 103 V HN 0.054 nan 8.190 nan 0.000 0.452 104 V N -0.312 119.482 119.914 -0.199 0.000 2.343 104 V HA -0.310 3.810 4.120 0.001 0.000 0.247 104 V C 2.443 178.511 176.094 -0.042 0.000 1.051 104 V CA 2.016 64.237 62.300 -0.131 0.000 1.036 104 V CB -0.688 30.988 31.823 -0.245 0.000 0.654 104 V HN 0.594 nan 8.190 nan 0.000 0.451 105 Q N -0.920 118.821 119.800 -0.098 0.000 2.172 105 Q HA -0.154 4.187 4.340 0.001 0.000 0.200 105 Q C 2.240 178.224 176.000 -0.026 0.000 0.964 105 Q CA 1.287 57.030 55.803 -0.101 0.000 0.855 105 Q CB -0.215 28.442 28.738 -0.135 0.000 0.918 105 Q HN 0.532 nan 8.270 nan 0.000 0.444 106 L N 0.111 121.333 121.223 -0.001 0.000 2.056 106 L HA -0.103 4.237 4.340 0.001 0.000 0.207 106 L C 2.019 178.946 176.870 0.095 0.000 1.078 106 L CA 1.432 56.295 54.840 0.039 0.000 0.749 106 L CB -0.488 41.591 42.059 0.034 0.000 0.901 106 L HN -0.058 nan 8.230 nan 0.000 0.433 107 V N -0.337 119.642 119.914 0.108 0.000 2.358 107 V HA -0.269 3.851 4.120 0.001 0.000 0.246 107 V C 2.631 178.844 176.094 0.199 0.000 1.047 107 V CA 1.813 64.188 62.300 0.125 0.000 1.035 107 V CB -0.576 31.282 31.823 0.059 0.000 0.658 107 V HN 0.420 nan 8.190 nan 0.000 0.452 108 L N -0.128 121.225 121.223 0.216 0.000 2.046 108 L HA -0.224 4.117 4.340 0.001 0.000 0.208 108 L C 2.611 179.706 176.870 0.375 0.000 1.077 108 L CA 1.948 56.936 54.840 0.246 0.000 0.747 108 L CB -0.547 41.531 42.059 0.031 0.000 0.896 108 L HN 0.310 nan 8.230 nan 0.000 0.432 109 K N 0.398 120.956 120.400 0.264 0.000 2.057 109 K HA -0.205 4.115 4.320 0.001 0.000 0.207 109 K C 2.118 178.844 176.600 0.210 0.000 1.049 109 K CA 1.376 57.809 56.287 0.242 0.000 0.931 109 K CB 0.097 32.673 32.500 0.126 0.000 0.714 109 K HN 0.207 nan 8.250 nan 0.000 0.440 110 K N 0.081 120.579 120.400 0.163 0.000 2.026 110 K HA -0.100 4.220 4.320 0.001 0.000 0.208 110 K C 2.008 178.689 176.600 0.136 0.000 1.048 110 K CA 1.452 57.815 56.287 0.128 0.000 0.929 110 K CB -0.056 32.505 32.500 0.102 0.000 0.713 110 K HN -0.006 nan 8.250 nan 0.000 0.439 111 V N 0.637 120.647 119.914 0.160 0.000 2.427 111 V HA -0.253 3.867 4.120 0.001 0.000 0.248 111 V C 2.018 178.209 176.094 0.162 0.000 1.051 111 V CA 1.547 63.950 62.300 0.173 0.000 1.048 111 V CB -0.544 31.373 31.823 0.156 0.000 0.666 111 V HN 0.268 nan 8.190 nan 0.000 0.456 112 Y N 1.365 121.651 120.300 -0.023 0.000 2.114 112 Y HA -0.227 4.324 4.550 0.001 0.000 0.284 112 Y C 2.548 178.379 175.900 -0.116 0.000 1.143 112 Y CA 2.122 60.087 58.100 -0.225 0.000 1.135 112 Y CB -0.112 38.052 38.460 -0.494 0.000 0.980 112 Y HN 0.305 nan 8.280 nan 0.000 0.499 113 E N -0.346 119.938 120.200 0.139 0.000 2.333 113 E HA -0.139 4.212 4.350 0.001 0.000 0.198 113 E C 1.854 178.459 176.600 0.008 0.000 1.007 113 E CA 0.566 57.006 56.400 0.067 0.000 0.845 113 E CB -0.178 29.586 29.700 0.107 0.000 0.766 113 E HN 0.540 nan 8.360 nan 0.000 0.507 114 A N 0.250 123.088 122.820 0.031 0.000 2.238 114 A HA 0.236 4.557 4.320 0.001 0.000 0.208 114 A C 1.685 179.277 177.584 0.013 0.000 1.177 114 A CA 0.685 52.751 52.037 0.048 0.000 0.804 114 A CB -0.285 18.785 19.000 0.117 0.000 0.823 114 A HN 0.299 nan 8.150 nan 0.000 0.482 115 G N -0.313 108.442 108.800 -0.075 0.000 2.160 115 G HA2 -0.232 3.728 3.960 0.001 0.000 0.251 115 G HA3 -0.232 3.728 3.960 0.001 0.000 0.251 115 G C 0.140 175.018 174.900 -0.037 0.000 1.008 115 G CA 0.479 45.506 45.100 -0.122 0.000 0.724 115 G HN 0.452 nan 8.290 nan 0.000 0.514 116 D N -0.251 120.185 120.400 0.059 0.000 2.340 116 D HA 0.210 4.851 4.640 0.001 0.000 0.217 116 D C 1.033 177.474 176.300 0.236 0.000 1.081 116 D CA 0.212 54.332 54.000 0.200 0.000 0.842 116 D CB 0.572 41.642 40.800 0.451 0.000 0.934 116 D HN 0.367 nan 8.370 nan 0.000 0.511 117 I N 1.225 121.832 120.570 0.062 0.000 2.530 117 I HA 0.290 4.461 4.170 0.001 0.000 0.297 117 I C -0.452 175.723 176.117 0.096 0.000 1.011 117 I CA -1.077 60.260 61.300 0.061 0.000 1.107 117 I CB 1.256 39.201 38.000 -0.093 0.000 1.285 117 I HN -0.091 nan 8.210 nan 0.000 0.436 118 Y N 4.624 125.025 120.300 0.168 0.000 2.581 118 Y HA 0.533 5.084 4.550 0.001 0.000 0.337 118 Y C -1.634 174.421 175.900 0.259 0.000 1.108 118 Y CA -1.511 56.676 58.100 0.146 0.000 1.033 118 Y CB 0.928 39.414 38.460 0.043 0.000 1.318 118 Y HN 0.457 nan 8.280 nan 0.000 0.459 119 Y N 2.318 122.723 120.300 0.175 0.000 2.316 119 Y HA 0.750 5.300 4.550 0.001 0.000 0.331 119 Y C 0.140 176.139 175.900 0.164 0.000 1.083 119 Y CA 0.190 58.223 58.100 -0.112 0.000 1.206 119 Y CB 1.190 39.460 38.460 -0.316 0.000 1.195 119 Y HN 1.041 nan 8.280 nan 0.000 0.497 120 G N 4.077 112.686 108.800 -0.318 0.000 2.788 120 G HA2 0.336 4.296 3.960 0.001 0.000 0.293 120 G HA3 0.336 4.296 3.960 0.001 0.000 0.293 120 G C -1.849 172.949 174.900 -0.171 0.000 1.392 120 G CA -0.982 44.041 45.100 -0.128 0.000 0.810 120 G HN 0.553 nan 8.290 nan 0.000 0.508 121 E N -0.680 119.475 120.200 -0.074 0.000 2.166 121 E HA 0.477 4.828 4.350 0.001 0.000 0.275 121 E C -1.688 174.967 176.600 0.092 0.000 0.941 121 E CA -0.732 55.662 56.400 -0.009 0.000 0.784 121 E CB 1.578 31.255 29.700 -0.039 0.000 1.115 121 E HN 0.428 nan 8.360 nan 0.000 0.399 122 Y N 3.371 123.685 120.300 0.023 0.000 2.328 122 Y HA 0.284 4.834 4.550 0.001 0.000 0.337 122 Y C -0.647 175.141 175.900 -0.188 0.000 1.008 122 Y CA -0.399 57.662 58.100 -0.064 0.000 1.129 122 Y CB 1.165 39.472 38.460 -0.255 0.000 1.185 122 Y HN 0.561 nan 8.280 nan 0.000 0.476 123 E N 4.314 124.279 120.200 -0.393 0.000 2.266 123 E HA 0.725 5.075 4.350 0.001 0.000 0.268 123 E C -0.966 175.547 176.600 -0.146 0.000 0.879 123 E CA -0.759 55.570 56.400 -0.119 0.000 0.762 123 E CB 1.810 31.474 29.700 -0.061 0.000 1.199 123 E HN 0.942 nan 8.360 nan 0.000 0.422 124 G N 2.201 111.144 108.800 0.238 0.000 2.320 124 G HA2 0.177 4.137 3.960 0.001 0.000 0.296 124 G HA3 0.177 4.137 3.960 0.001 0.000 0.296 124 G C -1.367 173.845 174.900 0.520 0.000 1.306 124 G CA -1.032 44.262 45.100 0.323 0.000 0.836 124 G HN 0.497 nan 8.290 nan 0.000 0.517 125 L N 0.386 121.861 121.223 0.420 0.000 2.453 125 L HA 0.412 4.752 4.340 0.001 0.000 0.272 125 L C -0.364 176.771 176.870 0.441 0.000 1.182 125 L CA -0.117 54.938 54.840 0.359 0.000 0.858 125 L CB 0.541 42.765 42.059 0.275 0.000 1.120 125 L HN 0.583 nan 8.230 nan 0.000 0.474 126 Y N 2.752 123.115 120.300 0.106 0.000 2.524 126 Y HA 0.384 4.934 4.550 0.001 0.000 0.347 126 Y C -0.677 175.230 175.900 0.011 0.000 1.005 126 Y CA -1.040 57.009 58.100 -0.085 0.000 1.025 126 Y CB 1.882 40.117 38.460 -0.374 0.000 1.275 126 Y HN 0.577 nan 8.280 nan 0.000 0.460 127 C N 7.495 126.581 119.300 -0.356 0.000 2.271 127 C HA 0.451 4.911 4.460 0.001 0.000 0.323 127 C C 1.330 176.086 174.990 -0.391 0.000 1.245 127 C CA -0.226 58.681 59.018 -0.185 0.000 1.548 127 C CB -0.964 26.801 27.740 0.041 0.000 2.214 127 C HN 0.889 nan 8.230 nan 0.000 0.477 128 V N 3.885 123.728 119.914 -0.117 0.000 2.913 128 V HA -0.005 4.116 4.120 0.001 0.000 0.260 128 V C 2.060 178.088 176.094 -0.109 0.000 1.098 128 V CA 2.389 64.680 62.300 -0.014 0.000 1.121 128 V CB -0.801 31.061 31.823 0.065 0.000 0.714 128 V HN 0.853 nan 8.190 nan 0.000 0.487 129 S N -1.042 114.517 115.700 -0.235 0.000 2.406 129 S HA -0.095 4.375 4.470 0.001 0.000 0.224 129 S C 1.837 176.344 174.600 -0.155 0.000 1.030 129 S CA 1.486 59.485 58.200 -0.335 0.000 0.958 129 S CB -0.431 62.221 63.200 -0.913 0.000 0.811 129 S HN 0.756 nan 8.310 nan 0.000 0.489 130 C N 0.651 119.902 119.300 -0.082 0.000 2.485 130 C HA 0.296 4.757 4.460 0.001 0.000 0.277 130 C C 1.088 176.026 174.990 -0.086 0.000 1.376 130 C CA 0.324 59.387 59.018 0.076 0.000 1.759 130 C CB -0.929 26.919 27.740 0.181 0.000 1.970 130 C HN 0.773 nan 8.230 nan 0.000 0.509 131 E N 0.398 120.442 120.200 -0.259 0.000 2.442 131 E HA -0.210 4.140 4.350 0.001 0.000 0.256 131 E C 0.049 176.446 176.600 -0.338 0.000 1.095 131 E CA 0.609 56.871 56.400 -0.231 0.000 0.747 131 E CB -1.247 28.454 29.700 0.002 0.000 1.310 131 E HN 0.874 nan 8.360 nan 0.000 0.396 132 R N -1.559 118.446 120.500 -0.826 0.000 2.734 132 R HA 0.666 5.007 4.340 0.001 0.000 0.271 132 R C -0.890 174.955 176.300 -0.760 0.000 1.021 132 R CA -1.010 54.768 56.100 -0.537 0.000 0.893 132 R CB 0.622 30.707 30.300 -0.359 0.000 1.244 132 R HN -0.080 nan 8.270 nan 0.000 0.464 133 F N 0.597 120.447 119.950 -0.166 0.000 2.371 133 F HA 0.466 4.994 4.527 0.001 0.000 0.329 133 F C -0.303 175.399 175.800 -0.164 0.000 1.107 133 F CA 0.043 58.080 58.000 0.062 0.000 1.137 133 F CB 1.009 40.187 39.000 0.296 0.000 1.214 133 F HN 0.317 nan 8.300 nan 0.000 0.536 134 Y N -0.270 120.236 120.300 0.344 0.000 2.421 134 Y HA 0.335 4.886 4.550 0.001 0.000 0.339 134 Y C 0.208 176.254 175.900 0.244 0.000 0.996 134 Y CA -1.235 57.007 58.100 0.236 0.000 1.046 134 Y CB 2.015 40.558 38.460 0.139 0.000 1.226 134 Y HN 0.640 nan 8.280 nan 0.000 0.445 135 T N -1.844 112.939 114.554 0.382 0.000 2.828 135 T HA 0.143 4.494 4.350 0.001 0.000 0.290 135 T C 0.870 175.706 174.700 0.227 0.000 1.019 135 T CA -0.631 61.633 62.100 0.274 0.000 1.031 135 T CB 1.060 70.066 68.868 0.230 0.000 1.001 135 T HN 0.765 nan 8.240 nan 0.000 0.531 136 E N 0.276 120.577 120.200 0.168 0.000 2.265 136 E HA -0.141 4.209 4.350 0.001 0.000 0.196 136 E C 1.990 178.655 176.600 0.109 0.000 0.996 136 E CA 0.942 57.417 56.400 0.125 0.000 0.832 136 E CB -0.018 29.741 29.700 0.099 0.000 0.756 136 E HN 0.633 nan 8.360 nan 0.000 0.491 137 K N 0.648 121.123 120.400 0.124 0.000 2.167 137 K HA -0.078 4.242 4.320 0.001 0.000 0.203 137 K C 1.838 178.509 176.600 0.118 0.000 1.052 137 K CA 0.742 57.095 56.287 0.110 0.000 0.956 137 K CB 0.064 32.634 32.500 0.116 0.000 0.735 137 K HN 0.110 nan 8.250 nan 0.000 0.451 138 E N 0.833 121.131 120.200 0.163 0.000 2.274 138 E HA -0.026 4.324 4.350 0.001 0.000 0.194 138 E C 0.280 176.924 176.600 0.074 0.000 0.996 138 E CA 0.185 56.694 56.400 0.183 0.000 0.840 138 E CB 0.059 29.968 29.700 0.348 0.000 0.772 138 E HN 0.186 nan 8.360 nan 0.000 0.491 139 L N 1.107 122.354 121.223 0.040 0.000 2.452 139 L HA 0.070 4.411 4.340 0.001 0.000 0.267 139 L C 0.098 176.950 176.870 -0.029 0.000 1.188 139 L CA -0.425 54.383 54.840 -0.054 0.000 0.821 139 L CB 0.962 43.012 42.059 -0.015 0.000 1.102 139 L HN -0.121 nan 8.230 nan 0.000 0.470 140 V N 2.148 122.028 119.914 -0.057 0.000 2.218 140 V HA 0.113 4.234 4.120 0.001 0.000 0.261 140 V C 0.149 176.232 176.094 -0.017 0.000 1.142 140 V CA -0.205 62.077 62.300 -0.029 0.000 0.965 140 V CB -0.486 31.313 31.823 -0.039 0.000 1.190 140 V HN 0.889 nan 8.190 nan 0.000 0.478 141 E N 2.927 123.126 120.200 -0.001 0.000 2.340 141 E HA -0.246 4.104 4.350 0.001 0.000 0.240 141 E C 1.266 177.869 176.600 0.005 0.000 1.154 141 E CA 0.452 56.855 56.400 0.006 0.000 0.717 141 E CB -1.262 28.441 29.700 0.004 0.000 1.250 141 E HN 1.257 nan 8.360 nan 0.000 0.386 142 G N -0.645 108.159 108.800 0.007 0.000 2.184 142 G HA2 -0.331 3.629 3.960 0.001 0.000 0.264 142 G HA3 -0.331 3.629 3.960 0.001 0.000 0.264 142 G C 0.265 175.161 174.900 -0.006 0.000 0.975 142 G CA 0.668 45.775 45.100 0.011 0.000 0.642 142 G HN 0.287 nan 8.290 nan 0.000 0.536 143 L N 0.045 121.251 121.223 -0.029 0.000 2.334 143 L HA 0.564 4.904 4.340 0.001 0.000 0.273 143 L C 1.373 178.173 176.870 -0.117 0.000 1.013 143 L CA -1.187 53.625 54.840 -0.047 0.000 0.816 143 L CB 1.827 43.868 42.059 -0.030 0.000 1.278 143 L HN 0.249 nan 8.230 nan 0.000 0.431 144 C N 4.739 123.956 119.300 -0.138 0.000 2.590 144 C HA 0.073 4.534 4.460 0.001 0.000 0.411 144 C C -0.435 174.412 174.990 -0.238 0.000 1.420 144 C CA -1.004 57.841 59.018 -0.288 0.000 1.643 144 C CB -0.037 27.636 27.740 -0.112 0.000 2.528 144 C HN 0.648 nan 8.230 nan 0.000 0.606 145 P HA -0.100 nan 4.420 nan 0.000 0.231 145 P C 1.223 178.455 177.300 -0.113 0.000 1.158 145 P CA 1.410 64.406 63.100 -0.173 0.000 0.763 145 P CB 0.060 31.672 31.700 -0.146 0.000 0.805 146 I N -0.964 119.532 120.570 -0.124 0.000 3.136 146 I HA 0.012 4.182 4.170 0.001 0.000 0.262 146 I C 1.907 177.866 176.117 -0.263 0.000 1.132 146 I CA 1.066 62.265 61.300 -0.168 0.000 1.450 146 I CB -1.385 36.511 38.000 -0.174 0.000 1.315 146 I HN 0.009 nan 8.210 nan 0.000 0.460 147 H N 0.764 119.809 119.070 -0.042 0.000 2.553 147 H HA 0.302 4.859 4.556 0.001 0.000 0.265 147 H C 1.411 176.717 175.328 -0.036 0.000 0.964 147 H CA 0.602 56.632 56.048 -0.029 0.000 1.156 147 H CB -0.040 29.710 29.762 -0.021 0.000 1.411 147 H HN 0.429 nan 8.280 nan 0.000 0.558 148 G N 1.032 109.853 108.800 0.034 0.000 2.258 148 G HA2 -0.347 3.614 3.960 0.001 0.000 0.274 148 G HA3 -0.347 3.614 3.960 0.001 0.000 0.274 148 G C 0.151 175.063 174.900 0.020 0.000 1.021 148 G CA 0.340 45.444 45.100 0.007 0.000 0.798 148 G HN 0.381 nan 8.290 nan 0.000 0.507 149 R N -0.591 119.929 120.500 0.032 0.000 2.892 149 R HA 0.503 4.844 4.340 0.001 0.000 0.265 149 R C -2.650 173.652 176.300 0.004 0.000 1.025 149 R CA -2.204 53.907 56.100 0.019 0.000 0.982 149 R CB 1.383 31.696 30.300 0.022 0.000 1.185 149 R HN 0.005 nan 8.270 nan 0.000 0.484 150 P HA -0.029 nan 4.420 nan 0.000 0.268 150 P C -0.643 176.668 177.300 0.018 0.000 1.208 150 P CA -0.240 62.867 63.100 0.012 0.000 0.777 150 P CB 0.575 32.285 31.700 0.017 0.000 0.875 151 V N -1.166 118.769 119.914 0.036 0.000 3.093 151 V HA 0.659 4.780 4.120 0.001 0.000 0.320 151 V C -0.285 175.860 176.094 0.087 0.000 1.093 151 V CA -0.784 61.556 62.300 0.066 0.000 1.016 151 V CB 1.757 33.639 31.823 0.099 0.000 1.096 151 V HN 0.531 nan 8.190 nan 0.000 0.452 152 E N 0.894 121.166 120.200 0.119 0.000 2.317 152 E HA 0.452 4.803 4.350 0.001 0.000 0.270 152 E C -0.895 175.798 176.600 0.155 0.000 0.885 152 E CA -1.080 55.390 56.400 0.115 0.000 0.760 152 E CB 2.417 32.172 29.700 0.093 0.000 1.227 152 E HN 0.789 nan 8.360 nan 0.000 0.434 153 R N 3.208 123.787 120.500 0.131 0.000 2.316 153 R HA 0.218 4.559 4.340 0.001 0.000 0.314 153 R C -0.599 175.778 176.300 0.127 0.000 1.069 153 R CA -0.099 56.094 56.100 0.155 0.000 0.959 153 R CB 0.380 30.750 30.300 0.118 0.000 0.987 153 R HN 0.395 nan 8.270 nan 0.000 0.446 154 R N 3.060 123.659 120.500 0.164 0.000 2.867 154 R HA 0.401 4.742 4.340 0.001 0.000 0.268 154 R C -0.875 175.558 176.300 0.223 0.000 1.014 154 R CA -0.921 55.218 56.100 0.066 0.000 0.946 154 R CB 1.950 32.109 30.300 -0.235 0.000 1.208 154 R HN 0.713 nan 8.270 nan 0.000 0.477 155 K N 0.017 120.500 120.400 0.139 0.000 2.340 155 K HA 0.653 4.973 4.320 0.001 0.000 0.244 155 K C -0.910 175.799 176.600 0.182 0.000 0.973 155 K CA -0.841 55.557 56.287 0.186 0.000 0.828 155 K CB 2.913 35.468 32.500 0.091 0.000 1.226 155 K HN 0.553 nan 8.250 nan 0.000 0.437 156 E N 0.512 120.833 120.200 0.203 0.000 2.363 156 E HA 0.291 4.641 4.350 0.001 0.000 0.281 156 E C -1.186 175.478 176.600 0.107 0.000 0.953 156 E CA -0.916 55.586 56.400 0.170 0.000 0.778 156 E CB 1.940 31.802 29.700 0.271 0.000 1.220 156 E HN 0.843 nan 8.360 nan 0.000 0.431 157 G N 2.616 111.471 108.800 0.092 0.000 2.370 157 G HA2 0.424 4.385 3.960 0.001 0.000 0.272 157 G HA3 0.424 4.385 3.960 0.001 0.000 0.272 157 G C -0.647 174.234 174.900 -0.033 0.000 1.208 157 G CA -0.205 44.844 45.100 -0.085 0.000 0.856 157 G HN 0.418 nan 8.290 nan 0.000 0.500 158 N N -0.225 118.287 118.700 -0.313 0.000 2.455 158 N HA 0.409 5.149 4.740 0.001 0.000 0.278 158 N C -1.482 173.744 175.510 -0.473 0.000 1.291 158 N CA -0.724 52.156 53.050 -0.284 0.000 0.780 158 N CB 1.363 39.526 38.487 -0.541 0.000 1.520 158 N HN 0.430 nan 8.380 nan 0.000 0.486 159 Y N 0.241 120.386 120.300 -0.259 0.000 2.323 159 Y HA 0.501 5.052 4.550 0.001 0.000 0.331 159 Y C -0.288 175.403 175.900 -0.349 0.000 1.092 159 Y CA -0.155 57.907 58.100 -0.064 0.000 1.150 159 Y CB 0.754 39.324 38.460 0.184 0.000 1.200 159 Y HN 0.331 nan 8.280 nan 0.000 0.472 160 F N 2.754 122.540 119.950 -0.274 0.000 2.538 160 F HA 0.407 4.935 4.527 0.001 0.000 0.325 160 F C -0.669 175.016 175.800 -0.192 0.000 1.066 160 F CA -1.224 56.548 58.000 -0.381 0.000 0.946 160 F CB 1.253 39.749 39.000 -0.840 0.000 1.199 160 F HN 0.267 nan 8.300 nan 0.000 0.473 161 F N 2.375 122.352 119.950 0.046 0.000 2.436 161 F HA 0.496 5.023 4.527 0.001 0.000 0.340 161 F C 0.367 176.287 175.800 0.199 0.000 1.113 161 F CA -1.486 56.590 58.000 0.126 0.000 1.022 161 F CB 1.039 40.144 39.000 0.174 0.000 1.128 161 F HN 0.405 nan 8.300 nan 0.000 0.466 162 R N 6.885 127.203 120.500 -0.303 0.000 4.113 162 R HA 0.048 4.389 4.340 0.001 0.000 0.179 162 R C 1.499 177.441 176.300 -0.595 0.000 1.781 162 R CA 0.007 55.947 56.100 -0.267 0.000 1.402 162 R CB -0.334 29.925 30.300 -0.068 0.000 1.375 162 R HN 0.888 nan 8.270 nan 0.000 0.786 163 M N 0.806 120.040 119.600 -0.610 0.000 2.117 163 M HA -0.220 4.260 4.480 0.001 0.000 0.262 163 M C 1.927 178.240 176.300 0.022 0.000 1.065 163 M CA 1.814 56.934 55.300 -0.301 0.000 1.114 163 M CB 0.098 32.710 32.600 0.020 0.000 1.361 163 M HN 0.251 nan 8.290 nan 0.000 0.408 164 E N 0.982 121.182 120.200 0.000 0.000 2.130 164 E HA -0.282 4.068 4.350 0.001 0.000 0.196 164 E C 1.774 178.371 176.600 -0.005 0.000 0.998 164 E CA 1.869 58.287 56.400 0.030 0.000 0.806 164 E CB -0.383 29.321 29.700 0.006 0.000 0.738 164 E HN 0.544 nan 8.360 nan 0.000 0.459 165 K N -0.947 119.389 120.400 -0.106 0.000 2.218 165 K HA -0.203 4.118 4.320 0.001 0.000 0.205 165 K C 0.876 177.260 176.600 -0.359 0.000 1.046 165 K CA 1.534 57.651 56.287 -0.282 0.000 0.933 165 K CB -0.221 31.999 32.500 -0.468 0.000 0.728 165 K HN 0.295 nan 8.250 nan 0.000 0.454 166 Y N -0.288 120.048 120.300 0.061 0.000 2.485 166 Y HA 0.206 4.756 4.550 0.001 0.000 0.260 166 Y C 1.996 178.073 175.900 0.295 0.000 1.173 166 Y CA -0.298 57.923 58.100 0.201 0.000 1.252 166 Y CB 0.227 38.817 38.460 0.218 0.000 1.123 166 Y HN 0.015 nan 8.280 nan 0.000 0.524 167 R N 1.147 121.807 120.500 0.267 0.000 2.073 167 R HA -0.102 4.238 4.340 0.001 0.000 0.234 167 R C -0.866 175.536 176.300 0.171 0.000 1.134 167 R CA 1.562 57.788 56.100 0.211 0.000 0.952 167 R CB -1.029 29.352 30.300 0.136 0.000 0.850 167 R HN 0.182 nan 8.270 nan 0.000 0.433 168 P HA -0.193 nan 4.420 nan 0.000 0.215 168 P C 0.527 177.917 177.300 0.149 0.000 1.153 168 P CA 1.215 64.383 63.100 0.113 0.000 0.853 168 P CB -0.295 31.458 31.700 0.089 0.000 0.788 169 W N 0.103 121.452 121.300 0.080 0.000 2.354 169 W HA -0.155 4.505 4.660 0.000 0.000 0.315 169 W C 2.014 178.619 176.519 0.142 0.000 1.206 169 W CA 1.236 58.649 57.345 0.113 0.000 1.290 169 W CB -1.070 28.474 29.460 0.141 0.000 1.152 169 W HN -0.201 nan 8.180 nan 0.000 0.489 170 L N 0.748 121.877 121.223 -0.157 0.000 2.017 170 L HA -0.283 4.057 4.340 0.001 0.000 0.208 170 L C 2.769 179.468 176.870 -0.285 0.000 1.073 170 L CA 2.397 56.930 54.840 -0.511 0.000 0.745 170 L CB -0.937 41.115 42.059 -0.011 0.000 0.894 170 L HN 0.250 nan 8.230 nan 0.000 0.432 171 Q N -0.058 119.684 119.800 -0.098 0.000 2.077 171 Q HA -0.329 4.012 4.340 0.001 0.000 0.206 171 Q C 2.047 177.988 176.000 -0.099 0.000 0.989 171 Q CA 2.447 58.214 55.803 -0.059 0.000 0.853 171 Q CB -0.154 28.581 28.738 -0.006 0.000 0.907 171 Q HN 0.552 nan 8.270 nan 0.000 0.418 172 E N -0.986 119.143 120.200 -0.117 0.000 2.072 172 E HA -0.232 4.119 4.350 0.001 0.000 0.191 172 E C 1.829 178.320 176.600 -0.182 0.000 0.985 172 E CA 1.050 57.381 56.400 -0.115 0.000 0.801 172 E CB -0.292 29.370 29.700 -0.063 0.000 0.750 172 E HN 0.522 nan 8.360 nan 0.000 0.452 173 Y N 1.057 121.083 120.300 -0.456 0.000 2.128 173 Y HA -0.215 4.336 4.550 0.001 0.000 0.284 173 Y C 1.979 177.694 175.900 -0.309 0.000 1.154 173 Y CA 2.025 59.838 58.100 -0.477 0.000 1.149 173 Y CB -0.087 37.826 38.460 -0.910 0.000 0.976 173 Y HN 0.057 nan 8.280 nan 0.000 0.505 174 I N -0.107 120.375 120.570 -0.146 0.000 2.315 174 I HA -0.337 3.833 4.170 0.001 0.000 0.248 174 I C 2.274 178.309 176.117 -0.136 0.000 1.117 174 I CA 1.470 62.705 61.300 -0.109 0.000 1.404 174 I CB -0.491 37.484 38.000 -0.042 0.000 1.071 174 I HN 0.354 nan 8.210 nan 0.000 0.419 175 Q N 0.579 120.302 119.800 -0.129 0.000 2.124 175 Q HA -0.200 4.141 4.340 0.001 0.000 0.202 175 Q C 1.598 177.518 176.000 -0.133 0.000 0.977 175 Q CA 1.280 57.021 55.803 -0.105 0.000 0.850 175 Q CB -0.083 28.606 28.738 -0.081 0.000 0.901 175 Q HN 0.564 nan 8.270 nan 0.000 0.429 176 E N 0.226 120.309 120.200 -0.196 0.000 2.489 176 E HA 0.041 4.392 4.350 0.001 0.000 0.193 176 E C -0.113 176.329 176.600 -0.265 0.000 1.057 176 E CA -0.004 56.270 56.400 -0.209 0.000 0.866 176 E CB 0.336 29.905 29.700 -0.219 0.000 0.916 176 E HN 0.239 nan 8.360 nan 0.000 0.500 177 N N 1.045 119.566 118.700 -0.299 0.000 2.791 177 N HA 0.125 4.865 4.740 0.001 0.000 0.265 177 N C -2.314 173.099 175.510 -0.161 0.000 1.580 177 N CA -1.090 51.789 53.050 -0.284 0.000 0.809 177 N CB 1.527 39.728 38.487 -0.476 0.000 1.178 177 N HN -0.070 nan 8.380 nan 0.000 0.499 178 P HA -0.128 nan 4.420 nan 0.000 0.217 178 P C 0.505 177.789 177.300 -0.026 0.000 1.151 178 P CA 1.360 64.427 63.100 -0.056 0.000 0.849 178 P CB 0.390 32.063 31.700 -0.046 0.000 0.787 179 D N -1.757 118.632 120.400 -0.019 0.000 2.339 179 D HA 0.024 4.664 4.640 0.001 0.000 0.217 179 D C 1.679 178.021 176.300 0.070 0.000 1.050 179 D CA -0.031 53.993 54.000 0.040 0.000 0.856 179 D CB -0.148 40.705 40.800 0.089 0.000 0.922 179 D HN 0.084 nan 8.370 nan 0.000 0.518 180 L N 0.572 121.781 121.223 -0.024 0.000 2.012 180 L HA -0.040 4.301 4.340 0.001 0.000 0.210 180 L C 0.620 177.548 176.870 0.098 0.000 1.073 180 L CA 1.576 56.396 54.840 -0.033 0.000 0.748 180 L CB 0.002 42.051 42.059 -0.017 0.000 0.891 180 L HN -0.125 nan 8.230 nan 0.000 0.431 181 I N 0.748 121.379 120.570 0.102 0.000 2.355 181 I HA 0.335 4.506 4.170 0.001 0.000 0.288 181 I C -0.368 175.816 176.117 0.112 0.000 0.999 181 I CA -0.384 60.993 61.300 0.130 0.000 1.163 181 I CB 0.986 39.073 38.000 0.145 0.000 1.316 181 I HN 0.101 nan 8.210 nan 0.000 0.454 182 R N 5.947 126.511 120.500 0.107 0.000 2.744 182 R HA 0.541 4.881 4.340 0.001 0.000 0.279 182 R C -2.763 173.657 176.300 0.200 0.000 0.977 182 R CA -1.902 54.265 56.100 0.113 0.000 0.906 182 R CB 1.969 32.283 30.300 0.023 0.000 1.197 182 R HN 0.215 nan 8.270 nan 0.000 0.463 183 P HA -0.035 nan 4.420 nan 0.000 0.271 183 P C 0.210 177.593 177.300 0.137 0.000 1.244 183 P CA -0.198 63.014 63.100 0.188 0.000 0.793 183 P CB 0.633 32.437 31.700 0.174 0.000 0.984 184 E N 0.538 120.759 120.200 0.036 0.000 2.160 184 E HA -0.181 4.169 4.350 0.001 0.000 0.195 184 E C 2.061 178.630 176.600 -0.052 0.000 0.991 184 E CA 1.554 57.954 56.400 -0.000 0.000 0.810 184 E CB -0.797 28.890 29.700 -0.021 0.000 0.742 184 E HN 0.643 nan 8.360 nan 0.000 0.466 185 G N -0.336 108.368 108.800 -0.159 0.000 2.442 185 G HA2 -0.271 3.690 3.960 0.001 0.000 0.219 185 G HA3 -0.271 3.690 3.960 0.001 0.000 0.219 185 G C 1.046 175.763 174.900 -0.305 0.000 1.141 185 G CA 1.042 45.967 45.100 -0.291 0.000 0.763 185 G HN 0.338 nan 8.290 nan 0.000 0.554 186 Y N 0.005 120.290 120.300 -0.024 0.000 2.314 186 Y HA 0.046 4.596 4.550 0.001 0.000 0.293 186 Y C 2.899 178.800 175.900 0.002 0.000 1.129 186 Y CA 1.105 59.195 58.100 -0.017 0.000 1.201 186 Y CB -0.137 38.315 38.460 -0.013 0.000 0.999 186 Y HN 0.055 nan 8.280 nan 0.000 0.541 187 R N 1.157 121.736 120.500 0.132 0.000 2.083 187 R HA -0.210 4.130 4.340 0.001 0.000 0.237 187 R C 1.597 177.923 176.300 0.044 0.000 1.137 187 R CA 2.191 58.341 56.100 0.083 0.000 0.951 187 R CB -0.518 29.813 30.300 0.052 0.000 0.851 187 R HN 0.494 nan 8.270 nan 0.000 0.434 188 N N 0.042 118.747 118.700 0.008 0.000 2.104 188 N HA -0.220 4.521 4.740 0.001 0.000 0.190 188 N C 1.784 177.296 175.510 0.005 0.000 1.024 188 N CA 1.301 54.346 53.050 -0.008 0.000 0.853 188 N CB -0.122 38.343 38.487 -0.036 0.000 1.008 188 N HN 0.406 nan 8.380 nan 0.000 0.424 189 E N 0.826 121.032 120.200 0.010 0.000 2.077 189 E HA -0.162 4.188 4.350 0.001 0.000 0.193 189 E C 1.851 178.482 176.600 0.051 0.000 0.989 189 E CA 0.938 57.355 56.400 0.029 0.000 0.800 189 E CB 0.201 29.932 29.700 0.052 0.000 0.746 189 E HN 0.120 nan 8.360 nan 0.000 0.452 190 V N 1.174 121.129 119.914 0.069 0.000 2.358 190 V HA -0.241 3.880 4.120 0.001 0.000 0.246 190 V C 2.419 178.545 176.094 0.054 0.000 1.047 190 V CA 1.279 63.622 62.300 0.071 0.000 1.035 190 V CB -0.395 31.483 31.823 0.091 0.000 0.658 190 V HN 0.340 nan 8.190 nan 0.000 0.452 191 L N 0.145 121.392 121.223 0.039 0.000 2.079 191 L HA -0.194 4.147 4.340 0.001 0.000 0.210 191 L C 2.723 179.609 176.870 0.026 0.000 1.081 191 L CA 1.582 56.437 54.840 0.025 0.000 0.752 191 L CB -0.732 41.333 42.059 0.010 0.000 0.896 191 L HN 0.385 nan 8.230 nan 0.000 0.433 192 A N -0.240 122.596 122.820 0.026 0.000 1.902 192 A HA -0.235 4.086 4.320 0.001 0.000 0.217 192 A C 2.287 179.893 177.584 0.038 0.000 1.181 192 A CA 1.710 53.762 52.037 0.025 0.000 0.623 192 A CB -0.426 18.587 19.000 0.021 0.000 0.818 192 A HN 0.345 nan 8.150 nan 0.000 0.443 193 M N -0.593 119.035 119.600 0.048 0.000 2.086 193 M HA -0.093 4.387 4.480 0.001 0.000 0.261 193 M C 1.770 178.112 176.300 0.069 0.000 1.067 193 M CA 1.397 56.734 55.300 0.062 0.000 1.116 193 M CB -0.508 32.133 32.600 0.069 0.000 1.348 193 M HN 0.318 nan 8.290 nan 0.000 0.407 194 L N -0.255 121.007 121.223 0.065 0.000 2.622 194 L HA -0.001 4.339 4.340 0.001 0.000 0.233 194 L C 2.529 179.430 176.870 0.051 0.000 1.156 194 L CA -0.010 54.871 54.840 0.068 0.000 0.866 194 L CB -0.761 41.334 42.059 0.061 0.000 0.980 194 L HN 0.260 nan 8.230 nan 0.000 0.448 195 A N -0.772 122.073 122.820 0.041 0.000 2.066 195 A HA -0.002 4.318 4.320 0.001 0.000 0.218 195 A C 1.073 178.677 177.584 0.033 0.000 1.157 195 A CA 0.832 52.887 52.037 0.030 0.000 0.670 195 A CB 0.011 19.025 19.000 0.023 0.000 0.804 195 A HN 0.280 nan 8.150 nan 0.000 0.453 196 E N -0.444 119.781 120.200 0.042 0.000 2.249 196 E HA 0.389 4.740 4.350 0.001 0.000 0.263 196 E C -2.797 173.834 176.600 0.053 0.000 0.950 196 E CA -2.503 53.922 56.400 0.042 0.000 0.827 196 E CB 0.551 30.276 29.700 0.042 0.000 1.220 196 E HN -0.036 nan 8.360 nan 0.000 0.411 197 P HA 0.009 nan 4.420 nan 0.000 0.264 197 P C 0.514 177.860 177.300 0.077 0.000 1.183 197 P CA 0.496 63.627 63.100 0.052 0.000 0.763 197 P CB 0.250 31.969 31.700 0.033 0.000 0.807 198 I N -0.292 120.338 120.570 0.099 0.000 3.968 198 I HA 0.346 4.517 4.170 0.001 0.000 0.328 198 I C 0.946 177.143 176.117 0.134 0.000 1.290 198 I CA -0.036 61.349 61.300 0.142 0.000 1.163 198 I CB -0.518 37.597 38.000 0.192 0.000 1.024 198 I HN 0.494 nan 8.210 nan 0.000 0.413 199 G N 2.155 111.008 108.800 0.089 0.000 2.752 199 G HA2 -0.223 3.738 3.960 0.001 0.000 0.234 199 G HA3 -0.223 3.738 3.960 0.001 0.000 0.234 199 G C -1.002 173.945 174.900 0.078 0.000 1.367 199 G CA 0.025 45.166 45.100 0.067 0.000 0.879 199 G HN 0.430 nan 8.290 nan 0.000 0.563 200 D N -0.774 119.677 120.400 0.085 0.000 2.340 200 D HA 0.598 5.238 4.640 0.001 0.000 0.251 200 D C 0.132 176.550 176.300 0.197 0.000 1.080 200 D CA -0.283 53.792 54.000 0.125 0.000 0.971 200 D CB 1.786 42.692 40.800 0.177 0.000 1.137 200 D HN 0.498 nan 8.370 nan 0.000 0.475 201 L N 0.648 121.996 121.223 0.208 0.000 2.313 201 L HA 0.298 4.638 4.340 0.001 0.000 0.283 201 L C -0.195 176.698 176.870 0.038 0.000 1.013 201 L CA -0.423 54.483 54.840 0.110 0.000 0.816 201 L CB 1.671 43.759 42.059 0.049 0.000 1.236 201 L HN 0.233 nan 8.230 nan 0.000 0.419 202 S N 4.438 119.993 115.700 -0.241 0.000 2.488 202 S HA 0.249 4.720 4.470 0.001 0.000 0.278 202 S C 0.752 175.035 174.600 -0.528 0.000 1.259 202 S CA -0.389 57.349 58.200 -0.771 0.000 1.061 202 S CB -0.010 62.672 63.200 -0.864 0.000 0.910 202 S HN 0.555 nan 8.310 nan 0.000 0.491 203 I N 2.939 123.318 120.570 -0.319 0.000 3.941 203 I HA 0.439 4.610 4.170 0.001 0.000 0.335 203 I C 0.188 176.268 176.117 -0.062 0.000 1.402 203 I CA -0.392 60.854 61.300 -0.090 0.000 1.112 203 I CB -0.142 37.759 38.000 -0.165 0.000 1.043 203 I HN 0.504 nan 8.210 nan 0.000 0.395 204 S N -0.294 115.341 115.700 -0.108 0.000 2.587 204 S HA 0.757 5.227 4.470 0.001 0.000 0.269 204 S C -0.842 173.793 174.600 0.059 0.000 1.154 204 S CA -0.971 57.248 58.200 0.032 0.000 0.824 204 S CB 2.017 65.299 63.200 0.136 0.000 1.118 204 S HN 0.286 nan 8.310 nan 0.000 0.462 205 R N 0.188 120.771 120.500 0.138 0.000 2.740 205 R HA 0.582 4.923 4.340 0.001 0.000 0.273 205 R C -3.211 173.055 176.300 -0.057 0.000 0.998 205 R CA -2.305 53.846 56.100 0.085 0.000 0.900 205 R CB 2.146 32.465 30.300 0.032 0.000 1.223 205 R HN 0.415 nan 8.270 nan 0.000 0.466 206 P HA -0.034 nan 4.420 nan 0.000 0.266 206 P C 0.031 177.185 177.300 -0.243 0.000 1.195 206 P CA 0.119 62.919 63.100 -0.500 0.000 0.768 206 P CB 0.672 32.213 31.700 -0.265 0.000 0.838 207 K N 2.542 122.799 120.400 -0.238 0.000 2.211 207 K HA -0.162 4.158 4.320 0.001 0.000 0.204 207 K C 1.728 178.262 176.600 -0.110 0.000 1.047 207 K CA 1.914 58.111 56.287 -0.149 0.000 0.935 207 K CB -0.293 32.127 32.500 -0.134 0.000 0.728 207 K HN 0.520 nan 8.250 nan 0.000 0.452 208 S N 0.437 116.078 115.700 -0.098 0.000 2.383 208 S HA -0.138 4.333 4.470 0.001 0.000 0.229 208 S C 1.830 176.411 174.600 -0.032 0.000 1.030 208 S CA 0.712 58.880 58.200 -0.054 0.000 1.002 208 S CB -0.224 62.952 63.200 -0.040 0.000 0.829 208 S HN 0.293 nan 8.310 nan 0.000 0.467 209 R N 0.608 121.090 120.500 -0.030 0.000 2.105 209 R HA 0.355 4.695 4.340 0.001 0.000 0.214 209 R C 0.193 176.496 176.300 0.005 0.000 1.091 209 R CA 0.460 56.568 56.100 0.015 0.000 1.007 209 R CB -0.654 29.677 30.300 0.052 0.000 0.912 209 R HN 0.408 nan 8.270 nan 0.000 0.450 210 V N 4.572 124.470 119.914 -0.027 0.000 2.289 210 V HA 0.203 4.324 4.120 0.001 0.000 0.272 210 V C -1.879 174.158 176.094 -0.096 0.000 1.026 210 V CA -1.032 61.251 62.300 -0.029 0.000 0.807 210 V CB 2.214 34.044 31.823 0.012 0.000 1.044 210 V HN 0.088 nan 8.190 nan 0.000 0.443 211 P HA 0.002 nan 4.420 nan 0.000 0.255 211 P C 0.180 177.374 177.300 -0.175 0.000 1.248 211 P CA 0.317 63.275 63.100 -0.236 0.000 0.807 211 P CB 0.547 32.035 31.700 -0.353 0.000 1.150 212 W N 1.224 122.295 121.300 -0.382 0.000 2.296 212 W HA 0.497 5.158 4.660 0.001 0.000 0.316 212 W C -0.595 175.802 176.519 -0.203 0.000 1.022 212 W CA 0.014 57.217 57.345 -0.236 0.000 1.324 212 W CB 1.711 31.119 29.460 -0.087 0.000 1.227 212 W HN 0.015 nan 8.180 nan 0.000 0.409 213 G N 3.732 112.096 108.800 -0.726 0.000 2.344 213 G HA2 0.153 4.114 3.960 0.001 0.000 0.282 213 G HA3 0.153 4.114 3.960 0.001 0.000 0.282 213 G C -1.923 172.491 174.900 -0.810 0.000 1.281 213 G CA -1.086 43.419 45.100 -0.991 0.000 0.877 213 G HN 0.302 nan 8.290 nan 0.000 0.494 214 I N 2.333 122.547 120.570 -0.593 0.000 2.315 214 I HA 0.329 4.500 4.170 0.001 0.000 0.291 214 I C -2.196 173.729 176.117 -0.319 0.000 1.006 214 I CA -1.849 59.216 61.300 -0.392 0.000 1.265 214 I CB 2.076 39.908 38.000 -0.279 0.000 1.387 214 I HN 0.094 nan 8.210 nan 0.000 0.475 215 P HA 0.148 nan 4.420 nan 0.000 0.272 215 P C -0.562 176.492 177.300 -0.410 0.000 1.223 215 P CA -0.312 62.607 63.100 -0.302 0.000 0.784 215 P CB 0.538 32.087 31.700 -0.252 0.000 0.923 216 L N 5.108 126.001 121.223 -0.550 0.000 2.410 216 L HA 0.120 4.460 4.340 0.001 0.000 0.273 216 L C -0.848 175.484 176.870 -0.897 0.000 1.152 216 L CA -1.323 52.929 54.840 -0.979 0.000 0.855 216 L CB 0.449 41.610 42.059 -1.496 0.000 1.129 216 L HN 0.363 nan 8.230 nan 0.000 0.463 217 P HA -0.170 nan 4.420 nan 0.000 0.221 217 P C 0.893 177.977 177.300 -0.360 0.000 1.145 217 P CA 1.495 64.329 63.100 -0.444 0.000 0.795 217 P CB 0.008 31.557 31.700 -0.250 0.000 0.775 218 W N -0.725 120.334 121.300 -0.402 0.000 3.211 218 W HA 0.439 5.100 4.660 0.001 0.000 0.292 218 W C -0.292 176.043 176.519 -0.307 0.000 1.268 218 W CA -0.073 57.018 57.345 -0.423 0.000 1.702 218 W CB -0.356 28.664 29.460 -0.733 0.000 1.092 218 W HN -0.212 nan 8.180 nan 0.000 0.643 219 D N 1.092 121.142 120.400 -0.584 0.000 2.337 219 D HA 0.013 4.654 4.640 0.001 0.000 0.238 219 D C 0.771 176.907 176.300 -0.274 0.000 1.331 219 D CA -0.041 53.783 54.000 -0.293 0.000 0.967 219 D CB 0.994 41.678 40.800 -0.194 0.000 1.382 219 D HN -0.094 nan 8.370 nan 0.000 0.549 220 E N 1.364 121.456 120.200 -0.181 0.000 2.401 220 E HA -0.077 4.273 4.350 0.001 0.000 0.199 220 E C 0.696 177.234 176.600 -0.102 0.000 1.023 220 E CA 0.531 56.836 56.400 -0.159 0.000 0.859 220 E CB 0.093 29.721 29.700 -0.119 0.000 0.780 220 E HN 0.589 nan 8.360 nan 0.000 0.523 221 N N -0.235 118.446 118.700 -0.032 0.000 2.467 221 N HA -0.037 4.704 4.740 0.001 0.000 0.184 221 N C 0.289 175.746 175.510 -0.087 0.000 1.106 221 N CA 0.183 53.221 53.050 -0.020 0.000 0.892 221 N CB 0.282 38.800 38.487 0.051 0.000 0.969 221 N HN 0.125 nan 8.380 nan 0.000 0.454 222 H N -0.122 118.895 119.070 -0.088 0.000 2.569 222 H HA 0.382 4.939 4.556 0.001 0.000 0.357 222 H C -0.804 174.420 175.328 -0.172 0.000 1.153 222 H CA -0.616 55.389 56.048 -0.071 0.000 1.193 222 H CB 2.331 32.107 29.762 0.024 0.000 1.602 222 H HN -0.247 nan 8.280 nan 0.000 0.523 223 V N 2.272 122.152 119.914 -0.056 0.000 2.513 223 V HA 0.103 4.224 4.120 0.001 0.000 0.299 223 V C 0.296 176.339 176.094 -0.085 0.000 1.035 223 V CA -0.787 61.438 62.300 -0.125 0.000 0.889 223 V CB 1.880 33.624 31.823 -0.133 0.000 0.988 223 V HN 0.817 nan 8.190 nan 0.000 0.440 224 T N 5.399 119.865 114.554 -0.147 0.000 2.902 224 T HA 0.118 4.468 4.350 0.001 0.000 0.301 224 T C -0.105 174.629 174.700 0.057 0.000 1.012 224 T CA 0.152 62.192 62.100 -0.100 0.000 1.151 224 T CB -0.200 68.581 68.868 -0.146 0.000 0.946 224 T HN 0.435 nan 8.240 nan 0.000 0.542 225 F N 5.499 125.417 119.950 -0.053 0.000 2.623 225 F HA 0.044 4.572 4.527 0.001 0.000 0.383 225 F C 1.554 177.416 175.800 0.103 0.000 1.077 225 F CA -0.967 57.052 58.000 0.032 0.000 1.268 225 F CB -0.013 39.020 39.000 0.055 0.000 1.053 225 F HN 0.405 nan 8.300 nan 0.000 0.571 226 V N 4.641 124.459 119.914 -0.161 0.000 2.324 226 V HA -0.320 3.800 4.120 0.001 0.000 0.250 226 V C 1.913 177.684 176.094 -0.538 0.000 1.060 226 V CA 2.103 64.209 62.300 -0.323 0.000 1.042 226 V CB -1.693 29.961 31.823 -0.282 0.000 0.650 226 V HN 0.911 nan 8.190 nan 0.000 0.450 227 W N -0.554 120.137 121.300 -1.015 0.000 2.388 227 W HA 0.028 4.689 4.660 0.001 0.000 0.294 227 W C 2.381 178.721 176.519 -0.298 0.000 1.212 227 W CA 1.325 58.306 57.345 -0.607 0.000 1.271 227 W CB -0.456 28.680 29.460 -0.539 0.000 1.126 227 W HN 0.266 nan 8.180 nan 0.000 0.535 228 F N 1.371 121.264 119.950 -0.095 0.000 2.102 228 F HA -0.291 4.237 4.527 0.001 0.000 0.298 228 F C 2.434 178.200 175.800 -0.056 0.000 1.105 228 F CA 2.249 60.268 58.000 0.031 0.000 1.239 228 F CB -0.628 38.428 39.000 0.093 0.000 0.991 228 F HN -0.210 nan 8.300 nan 0.000 0.474 229 D N 0.521 121.040 120.400 0.199 0.000 2.087 229 D HA -0.235 4.406 4.640 0.001 0.000 0.192 229 D C 2.228 178.550 176.300 0.037 0.000 0.993 229 D CA 1.786 55.859 54.000 0.121 0.000 0.828 229 D CB -0.564 40.297 40.800 0.101 0.000 0.968 229 D HN 0.337 nan 8.370 nan 0.000 0.448 230 A N 0.535 123.262 122.820 -0.154 0.000 1.883 230 A HA -0.142 4.179 4.320 0.001 0.000 0.217 230 A C 2.329 179.609 177.584 -0.506 0.000 1.186 230 A CA 1.247 53.074 52.037 -0.350 0.000 0.624 230 A CB -0.866 17.824 19.000 -0.517 0.000 0.822 230 A HN 0.356 nan 8.150 nan 0.000 0.444 231 L N -0.424 120.492 121.223 -0.511 0.000 2.127 231 L HA -0.113 4.228 4.340 0.001 0.000 0.211 231 L C 2.246 178.442 176.870 -1.123 0.000 1.089 231 L CA 1.385 55.667 54.840 -0.929 0.000 0.757 231 L CB -0.946 40.651 42.059 -0.769 0.000 0.899 231 L HN 0.399 nan 8.230 nan 0.000 0.434 232 L N -0.288 120.598 121.223 -0.562 0.000 2.551 232 L HA -0.147 4.194 4.340 0.001 0.000 0.228 232 L C 1.990 178.789 176.870 -0.118 0.000 1.153 232 L CA 0.694 55.371 54.840 -0.271 0.000 0.851 232 L CB -0.562 41.398 42.059 -0.165 0.000 0.959 232 L HN 0.510 nan 8.230 nan 0.000 0.451 233 N N -0.490 118.056 118.700 -0.257 0.000 2.272 233 N HA -0.289 4.451 4.740 0.001 0.000 0.185 233 N C 1.711 177.197 175.510 -0.041 0.000 1.014 233 N CA 1.462 54.379 53.050 -0.222 0.000 0.870 233 N CB -0.553 37.621 38.487 -0.522 0.000 0.975 233 N HN 0.379 nan 8.380 nan 0.000 0.433 234 Y N -0.276 120.053 120.300 0.048 0.000 2.333 234 Y HA -0.109 4.441 4.550 0.001 0.000 0.290 234 Y C 2.221 178.388 175.900 0.445 0.000 1.144 234 Y CA 0.722 59.028 58.100 0.344 0.000 1.228 234 Y CB 0.170 38.931 38.460 0.502 0.000 0.985 234 Y HN 0.213 nan 8.280 nan 0.000 0.542 235 V N -4.335 115.766 119.914 0.312 0.000 3.379 235 V HA -0.005 4.115 4.120 0.001 0.000 0.249 235 V C 1.961 178.139 176.094 0.139 0.000 1.184 235 V CA 0.731 63.112 62.300 0.135 0.000 1.106 235 V CB -0.092 31.547 31.823 -0.306 0.000 0.826 235 V HN 0.293 nan 8.190 nan 0.000 0.465 236 S N 2.143 117.923 115.700 0.133 0.000 2.402 236 S HA 0.065 4.535 4.470 0.001 0.000 0.229 236 S C 2.031 176.729 174.600 0.163 0.000 1.021 236 S CA 1.289 59.577 58.200 0.147 0.000 0.974 236 S CB -0.582 62.753 63.200 0.226 0.000 0.800 236 S HN 1.063 nan 8.310 nan 0.000 0.484 237 A N 1.273 124.210 122.820 0.195 0.000 2.121 237 A HA 0.314 4.635 4.320 0.001 0.000 0.218 237 A C 1.960 179.643 177.584 0.165 0.000 1.154 237 A CA 0.785 52.947 52.037 0.209 0.000 0.679 237 A CB -0.598 18.578 19.000 0.294 0.000 0.795 237 A HN 0.600 nan 8.150 nan 0.000 0.458 238 L N -1.056 120.260 121.223 0.155 0.000 2.667 238 L HA 0.131 4.471 4.340 0.001 0.000 0.232 238 L C -0.314 176.635 176.870 0.131 0.000 1.138 238 L CA -0.112 54.779 54.840 0.085 0.000 0.921 238 L CB -0.205 41.976 42.059 0.203 0.000 1.180 238 L HN 0.244 nan 8.230 nan 0.000 0.487 239 D N 0.267 120.737 120.400 0.117 0.000 2.699 239 D HA -0.264 4.376 4.640 0.001 0.000 0.239 239 D C 0.008 176.339 176.300 0.051 0.000 1.136 239 D CA 0.710 54.758 54.000 0.080 0.000 0.668 239 D CB -0.874 39.960 40.800 0.057 0.000 1.060 239 D HN 0.343 nan 8.370 nan 0.000 0.429 240 Y N 1.052 121.281 120.300 -0.119 0.000 2.702 240 Y HA 0.146 4.697 4.550 0.001 0.000 0.336 240 Y C -1.262 174.496 175.900 -0.236 0.000 1.235 240 Y CA -0.361 57.519 58.100 -0.368 0.000 1.492 240 Y CB 0.884 38.988 38.460 -0.594 0.000 1.308 240 Y HN -0.056 nan 8.280 nan 0.000 0.589 241 P HA 0.077 nan 4.420 nan 0.000 0.259 241 P C 0.002 177.084 177.300 -0.363 0.000 1.233 241 P CA 0.712 63.139 63.100 -1.122 0.000 0.827 241 P CB 0.560 31.456 31.700 -1.339 0.000 1.154 242 E N 0.298 120.369 120.200 -0.214 0.000 2.385 242 E HA 0.120 4.470 4.350 0.001 0.000 0.194 242 E C 1.255 177.857 176.600 0.002 0.000 1.013 242 E CA -0.181 56.173 56.400 -0.077 0.000 0.866 242 E CB -0.163 29.494 29.700 -0.073 0.000 0.832 242 E HN 0.194 nan 8.360 nan 0.000 0.500 243 G N 1.518 110.335 108.800 0.028 0.000 2.380 243 G HA2 -0.115 3.845 3.960 0.001 0.000 0.242 243 G HA3 -0.115 3.845 3.960 0.001 0.000 0.242 243 G C 0.467 175.431 174.900 0.105 0.000 1.298 243 G CA -0.134 45.008 45.100 0.070 0.000 0.878 243 G HN 0.002 nan 8.290 nan 0.000 0.542 244 E N 1.800 122.038 120.200 0.063 0.000 2.274 244 E HA -0.019 4.332 4.350 0.001 0.000 0.194 244 E C 2.520 179.137 176.600 0.028 0.000 0.996 244 E CA 1.371 57.795 56.400 0.040 0.000 0.840 244 E CB -0.122 29.587 29.700 0.016 0.000 0.772 244 E HN 0.508 nan 8.360 nan 0.000 0.491 245 A N -0.264 122.589 122.820 0.056 0.000 1.933 245 A HA -0.183 4.138 4.320 0.001 0.000 0.218 245 A C 2.115 179.771 177.584 0.121 0.000 1.175 245 A CA 1.472 53.551 52.037 0.070 0.000 0.628 245 A CB -0.878 18.096 19.000 -0.043 0.000 0.814 245 A HN 0.502 nan 8.150 nan 0.000 0.444 246 Y N 0.589 120.926 120.300 0.062 0.000 2.114 246 Y HA -0.206 4.345 4.550 0.001 0.000 0.284 246 Y C 2.473 178.478 175.900 0.175 0.000 1.143 246 Y CA 2.133 60.324 58.100 0.151 0.000 1.135 246 Y CB -0.519 38.040 38.460 0.165 0.000 0.980 246 Y HN 0.318 nan 8.280 nan 0.000 0.499 247 R N -0.563 119.891 120.500 -0.077 0.000 2.105 247 R HA -0.145 4.195 4.340 0.001 0.000 0.239 247 R C 1.881 178.087 176.300 -0.158 0.000 1.135 247 R CA 2.112 58.118 56.100 -0.156 0.000 0.967 247 R CB -0.453 29.832 30.300 -0.025 0.000 0.861 247 R HN 0.381 nan 8.270 nan 0.000 0.442 248 T N -0.115 114.325 114.554 -0.190 0.000 2.732 248 T HA -0.034 4.317 4.350 0.001 0.000 0.261 248 T C 1.343 175.810 174.700 -0.388 0.000 1.040 248 T CA 1.540 63.416 62.100 -0.373 0.000 1.145 248 T CB -0.190 68.264 68.868 -0.689 0.000 0.866 248 T HN 0.210 nan 8.240 nan 0.000 0.427 249 F N -0.601 119.320 119.950 -0.049 0.000 2.446 249 F HA 0.252 4.779 4.527 0.001 0.000 0.292 249 F C 2.257 178.115 175.800 0.097 0.000 1.096 249 F CA -0.367 57.608 58.000 -0.041 0.000 1.438 249 F CB -0.236 38.488 39.000 -0.461 0.000 1.107 249 F HN 0.212 nan 8.300 nan 0.000 0.546 250 W N 3.522 124.850 121.300 0.045 0.000 2.342 250 W HA -0.145 4.516 4.660 0.001 0.000 0.297 250 W C -1.171 175.408 176.519 0.101 0.000 1.213 250 W CA 1.377 58.801 57.345 0.133 0.000 1.251 250 W CB -1.341 28.063 29.460 -0.094 0.000 1.136 250 W HN 0.000 nan 8.180 nan 0.000 0.526 251 P HA -0.130 nan 4.420 nan 0.000 0.228 251 P C -0.237 176.738 177.300 -0.542 0.000 1.151 251 P CA 1.746 64.619 63.100 -0.378 0.000 0.770 251 P CB -0.248 31.225 31.700 -0.378 0.000 0.786 252 H N -2.317 116.736 119.070 -0.029 0.000 2.567 252 H HA 0.464 5.021 4.556 0.001 0.000 0.267 252 H C 0.299 175.670 175.328 0.071 0.000 1.148 252 H CA -0.600 55.494 56.048 0.076 0.000 1.031 252 H CB -0.120 29.723 29.762 0.135 0.000 1.691 252 H HN -0.039 nan 8.280 nan 0.000 0.588 253 A N 0.771 123.544 122.820 -0.078 0.000 2.545 253 A HA 0.103 4.424 4.320 0.001 0.000 0.253 253 A C -0.884 176.569 177.584 -0.220 0.000 1.074 253 A CA 0.118 51.983 52.037 -0.287 0.000 0.760 253 A CB -0.136 18.325 19.000 -0.898 0.000 1.005 253 A HN 0.414 nan 8.150 nan 0.000 0.506 254 W N 1.396 122.301 121.300 -0.659 0.000 2.471 254 W HA 0.480 5.140 4.660 0.001 0.000 0.318 254 W C -0.103 176.059 176.519 -0.595 0.000 1.034 254 W CA -0.304 56.741 57.345 -0.500 0.000 1.224 254 W CB 0.930 30.134 29.460 -0.427 0.000 1.335 254 W HN 0.732 nan 8.180 nan 0.000 0.452 255 H N 3.198 122.130 119.070 -0.229 0.000 2.476 255 H HA 0.494 5.050 4.556 0.001 0.000 0.328 255 H C -0.245 174.945 175.328 -0.230 0.000 1.073 255 H CA -0.819 55.007 56.048 -0.371 0.000 1.229 255 H CB 1.452 30.896 29.762 -0.530 0.000 1.432 255 H HN 0.055 nan 8.280 nan 0.000 0.477 256 L N 5.868 127.062 121.223 -0.049 0.000 2.307 256 L HA 0.553 4.893 4.340 0.001 0.000 0.284 256 L C -0.168 176.686 176.870 -0.027 0.000 1.023 256 L CA -0.667 54.177 54.840 0.006 0.000 0.810 256 L CB 1.069 43.144 42.059 0.027 0.000 1.231 256 L HN 0.622 nan 8.230 nan 0.000 0.423 257 I N -0.795 119.773 120.570 -0.003 0.000 3.195 257 I HA 0.805 4.976 4.170 0.001 0.000 0.313 257 I C -0.200 175.922 176.117 0.009 0.000 1.237 257 I CA -0.856 60.407 61.300 -0.062 0.000 0.963 257 I CB 2.197 39.995 38.000 -0.336 0.000 1.278 257 I HN 0.478 nan 8.210 nan 0.000 0.460 258 G N 1.356 110.188 108.800 0.054 0.000 2.425 258 G HA2 0.344 4.305 3.960 0.001 0.000 0.302 258 G HA3 0.344 4.305 3.960 0.001 0.000 0.302 258 G C 0.402 175.268 174.900 -0.058 0.000 1.159 258 G CA -0.611 44.513 45.100 0.039 0.000 0.865 258 G HN 0.968 nan 8.290 nan 0.000 0.515 259 K N -0.124 120.162 120.400 -0.189 0.000 2.360 259 K HA -0.130 4.191 4.320 0.001 0.000 0.201 259 K C 1.078 177.667 176.600 -0.018 0.000 1.046 259 K CA 1.674 57.823 56.287 -0.230 0.000 0.940 259 K CB -0.021 32.288 32.500 -0.319 0.000 0.748 259 K HN 0.559 nan 8.250 nan 0.000 0.465 260 D N 2.190 122.673 120.400 0.138 0.000 2.309 260 D HA -0.158 4.483 4.640 0.001 0.000 0.212 260 D C 1.578 177.987 176.300 0.181 0.000 0.968 260 D CA 0.954 55.092 54.000 0.230 0.000 0.882 260 D CB -0.248 40.750 40.800 0.331 0.000 0.918 260 D HN 0.671 nan 8.370 nan 0.000 0.503 261 I N -2.316 118.345 120.570 0.152 0.000 3.569 261 I HA 0.238 4.409 4.170 0.001 0.000 0.334 261 I C 1.252 177.407 176.117 0.064 0.000 1.570 261 I CA -0.620 60.771 61.300 0.152 0.000 1.082 261 I CB 0.490 38.740 38.000 0.417 0.000 1.323 261 I HN -0.225 nan 8.210 nan 0.000 0.489 262 L N 1.782 123.000 121.223 -0.008 0.000 2.005 262 L HA -0.095 4.246 4.340 0.001 0.000 0.207 262 L C 2.464 179.297 176.870 -0.061 0.000 1.072 262 L CA 2.069 56.897 54.840 -0.020 0.000 0.744 262 L CB -0.516 41.533 42.059 -0.017 0.000 0.895 262 L HN 0.446 nan 8.230 nan 0.000 0.433 263 K N -0.592 119.706 120.400 -0.170 0.000 2.044 263 K HA -0.168 4.153 4.320 0.001 0.000 0.210 263 K C -0.430 175.786 176.600 -0.640 0.000 1.049 263 K CA 2.026 58.118 56.287 -0.325 0.000 0.927 263 K CB -1.093 31.189 32.500 -0.364 0.000 0.713 263 K HN 0.286 nan 8.250 nan 0.000 0.443 264 P HA -0.121 nan 4.420 nan 0.000 0.215 264 P C 0.451 177.519 177.300 -0.387 0.000 1.153 264 P CA 1.469 63.922 63.100 -1.079 0.000 0.853 264 P CB 0.024 30.769 31.700 -1.591 0.000 0.788 265 H N -1.644 117.337 119.070 -0.149 0.000 2.482 265 H HA 0.206 4.762 4.556 0.001 0.000 0.286 265 H C 1.787 177.297 175.328 0.303 0.000 1.017 265 H CA 1.321 57.437 56.048 0.114 0.000 1.322 265 H CB -0.379 29.390 29.762 0.011 0.000 1.426 265 H HN 0.063 nan 8.280 nan 0.000 0.546 266 A N -0.268 122.717 122.820 0.274 0.000 2.169 266 A HA 0.203 4.524 4.320 0.001 0.000 0.210 266 A C 1.676 179.407 177.584 0.243 0.000 1.168 266 A CA 0.485 52.698 52.037 0.293 0.000 0.813 266 A CB 0.340 19.454 19.000 0.191 0.000 0.861 266 A HN 0.205 nan 8.150 nan 0.000 0.481 267 V N -1.960 118.071 119.914 0.194 0.000 3.134 267 V HA 0.096 4.216 4.120 0.001 0.000 0.222 267 V C 1.972 178.349 176.094 0.471 0.000 1.247 267 V CA 0.520 62.982 62.300 0.270 0.000 1.281 267 V CB -1.084 30.862 31.823 0.206 0.000 1.169 267 V HN 0.538 nan 8.190 nan 0.000 0.512 268 F N -0.249 119.840 119.950 0.231 0.000 2.026 268 F HA -0.311 4.216 4.527 0.001 0.000 0.296 268 F C 2.496 178.506 175.800 0.350 0.000 1.133 268 F CA 2.266 60.434 58.000 0.281 0.000 1.188 268 F CB -0.416 38.696 39.000 0.187 0.000 0.968 268 F HN 0.312 nan 8.300 nan 0.000 0.476 269 W N 2.713 124.189 121.300 0.294 0.000 2.302 269 W HA -0.212 4.448 4.660 0.002 0.000 0.320 269 W C -1.036 175.639 176.519 0.259 0.000 1.241 269 W CA 1.445 58.916 57.345 0.210 0.000 1.264 269 W CB -1.558 28.031 29.460 0.214 0.000 1.154 269 W HN -0.045 nan 8.180 nan 0.000 0.483 270 P HA -0.216 nan 4.420 nan 0.000 0.215 270 P C 1.754 179.150 177.300 0.160 0.000 1.153 270 P CA 3.475 66.653 63.100 0.131 0.000 0.853 270 P CB -0.559 31.259 31.700 0.197 0.000 0.788 271 T N -4.028 110.693 114.554 0.277 0.000 2.867 271 T HA -0.116 4.234 4.350 0.001 0.000 0.268 271 T C 1.821 176.499 174.700 -0.036 0.000 1.057 271 T CA 1.175 63.380 62.100 0.175 0.000 1.136 271 T CB -1.087 68.036 68.868 0.425 0.000 0.874 271 T HN -0.012 nan 8.240 nan 0.000 0.466 272 M N 0.594 120.200 119.600 0.011 0.000 2.099 272 M HA 0.117 4.598 4.480 0.001 0.000 0.262 272 M C 2.369 178.456 176.300 -0.354 0.000 1.067 272 M CA 1.520 56.673 55.300 -0.246 0.000 1.124 272 M CB -0.589 31.887 32.600 -0.207 0.000 1.353 272 M HN 0.209 nan 8.290 nan 0.000 0.410 273 L N -0.171 120.790 121.223 -0.437 0.000 2.012 273 L HA -0.235 4.106 4.340 0.001 0.000 0.210 273 L C 2.591 179.220 176.870 -0.402 0.000 1.073 273 L CA 1.192 55.736 54.840 -0.495 0.000 0.748 273 L CB -0.721 41.005 42.059 -0.556 0.000 0.891 273 L HN 0.199 nan 8.230 nan 0.000 0.431 274 K N 0.579 120.681 120.400 -0.497 0.000 2.063 274 K HA -0.155 4.165 4.320 0.001 0.000 0.208 274 K C 2.014 178.310 176.600 -0.506 0.000 1.048 274 K CA 1.697 57.585 56.287 -0.665 0.000 0.928 274 K CB -0.427 31.360 32.500 -1.188 0.000 0.713 274 K HN 0.251 nan 8.250 nan 0.000 0.442 275 A N 0.070 122.537 122.820 -0.588 0.000 1.969 275 A HA 0.022 4.343 4.320 0.001 0.000 0.218 275 A C 2.166 179.686 177.584 -0.106 0.000 1.169 275 A CA 1.782 53.645 52.037 -0.290 0.000 0.635 275 A CB -0.711 18.226 19.000 -0.106 0.000 0.810 275 A HN 0.398 nan 8.150 nan 0.000 0.445 276 A N -1.764 120.955 122.820 -0.168 0.000 2.251 276 A HA 0.425 4.745 4.320 0.001 0.000 0.209 276 A C 1.681 179.221 177.584 -0.073 0.000 1.187 276 A CA 1.092 53.069 52.037 -0.100 0.000 0.823 276 A CB -0.887 18.015 19.000 -0.162 0.000 0.846 276 A HN 1.867 nan 8.150 nan 0.000 0.486 277 G N -0.544 108.193 108.800 -0.106 0.000 2.176 277 G HA2 -0.220 3.741 3.960 0.001 0.000 0.252 277 G HA3 -0.220 3.741 3.960 0.001 0.000 0.252 277 G C -0.041 174.847 174.900 -0.020 0.000 1.024 277 G CA 0.419 45.488 45.100 -0.053 0.000 0.755 277 G HN 0.495 nan 8.290 nan 0.000 0.507 278 I N 0.604 121.115 120.570 -0.098 0.000 2.377 278 I HA 0.319 4.489 4.170 0.001 0.000 0.293 278 I C -1.849 174.294 176.117 0.042 0.000 0.987 278 I CA -2.622 58.647 61.300 -0.052 0.000 1.185 278 I CB 1.787 39.591 38.000 -0.327 0.000 1.341 278 I HN -0.146 nan 8.210 nan 0.000 0.455 279 P HA 0.033 nan 4.420 nan 0.000 0.268 279 P C -0.178 177.317 177.300 0.325 0.000 1.208 279 P CA -0.152 63.108 63.100 0.266 0.000 0.777 279 P CB 0.407 32.297 31.700 0.317 0.000 0.875 280 M N 1.859 121.491 119.600 0.054 0.000 2.226 280 M HA 0.121 4.601 4.480 0.001 0.000 0.324 280 M C 0.280 176.503 176.300 -0.128 0.000 1.112 280 M CA -0.063 55.152 55.300 -0.142 0.000 1.176 280 M CB -0.228 32.116 32.600 -0.427 0.000 1.430 280 M HN 0.361 nan 8.290 nan 0.000 0.462 281 Y N 0.503 120.765 120.300 -0.064 0.000 2.281 281 Y HA 0.343 4.894 4.550 0.001 0.000 0.337 281 Y C 1.129 176.858 175.900 -0.284 0.000 1.304 281 Y CA -0.769 57.107 58.100 -0.373 0.000 1.465 281 Y CB 0.016 38.311 38.460 -0.276 0.000 1.350 281 Y HN 0.486 nan 8.280 nan 0.000 0.575 282 R N -0.163 120.267 120.500 -0.117 0.000 2.066 282 R HA 0.101 4.441 4.340 0.001 0.000 0.224 282 R C -0.448 175.541 176.300 -0.518 0.000 1.122 282 R CA 0.816 56.771 56.100 -0.241 0.000 0.974 282 R CB -0.740 29.534 30.300 -0.043 0.000 0.871 282 R HN 0.869 nan 8.270 nan 0.000 0.435 283 H N -1.564 117.438 119.070 -0.113 0.000 2.974 283 H HA 0.385 4.942 4.556 0.001 0.000 0.366 283 H C -1.525 173.690 175.328 -0.188 0.000 1.155 283 H CA -0.792 55.112 56.048 -0.239 0.000 1.186 283 H CB 2.091 31.365 29.762 -0.813 0.000 1.799 283 H HN -0.136 nan 8.280 nan 0.000 0.541 284 L N 2.956 124.222 121.223 0.070 0.000 2.298 284 L HA 0.445 4.786 4.340 0.001 0.000 0.284 284 L C -1.001 175.864 176.870 -0.008 0.000 1.013 284 L CA -0.414 54.417 54.840 -0.015 0.000 0.824 284 L CB 0.732 42.859 42.059 0.113 0.000 1.221 284 L HN 0.614 nan 8.230 nan 0.000 0.418 285 N N 5.225 123.907 118.700 -0.031 0.000 2.511 285 N HA 0.309 5.049 4.740 0.001 0.000 0.249 285 N C -1.143 174.472 175.510 0.175 0.000 0.971 285 N CA -0.377 52.704 53.050 0.052 0.000 0.938 285 N CB 2.173 40.640 38.487 -0.033 0.000 1.131 285 N HN 0.321 nan 8.380 nan 0.000 0.505 286 V N 1.208 121.166 119.914 0.073 0.000 2.364 286 V HA 0.468 4.588 4.120 0.001 0.000 0.272 286 V C 1.121 176.976 176.094 -0.398 0.000 1.036 286 V CA -0.750 61.392 62.300 -0.262 0.000 0.880 286 V CB 1.029 32.351 31.823 -0.836 0.000 0.991 286 V HN 0.626 nan 8.190 nan 0.000 0.460 287 G N 2.991 111.506 108.800 -0.474 0.000 2.477 287 G HA2 0.637 4.598 3.960 0.001 0.000 0.304 287 G HA3 0.637 4.598 3.960 0.001 0.000 0.304 287 G C 0.272 174.913 174.900 -0.433 0.000 1.175 287 G CA 0.007 44.640 45.100 -0.777 0.000 0.907 287 G HN 0.963 nan 8.290 nan 0.000 0.509 288 G N -1.268 107.328 108.800 -0.339 0.000 2.583 288 G HA2 0.566 4.526 3.960 0.001 0.000 0.280 288 G HA3 0.566 4.526 3.960 0.001 0.000 0.280 288 G C -0.656 174.148 174.900 -0.159 0.000 1.376 288 G CA -1.048 43.892 45.100 -0.268 0.000 1.043 288 G HN 0.464 nan 8.290 nan 0.000 0.538 289 F N -0.873 119.004 119.950 -0.121 0.000 2.385 289 F HA 0.381 4.909 4.527 0.001 0.000 0.336 289 F C -0.061 175.619 175.800 -0.199 0.000 1.100 289 F CA -0.830 57.089 58.000 -0.136 0.000 1.116 289 F CB 1.671 40.617 39.000 -0.089 0.000 1.166 289 F HN -0.072 nan 8.300 nan 0.000 0.511 290 L N 4.447 125.660 121.223 -0.017 0.000 2.259 290 L HA 0.320 4.661 4.340 0.001 0.000 0.288 290 L C -0.149 176.670 176.870 -0.086 0.000 1.051 290 L CA 0.115 54.871 54.840 -0.139 0.000 0.824 290 L CB 0.513 42.448 42.059 -0.207 0.000 1.206 290 L HN 0.421 nan 8.230 nan 0.000 0.429 291 L N 1.761 122.950 121.223 -0.058 0.000 2.475 291 L HA 0.523 4.864 4.340 0.001 0.000 0.253 291 L C 1.262 178.100 176.870 -0.052 0.000 1.198 291 L CA -0.446 54.365 54.840 -0.048 0.000 0.814 291 L CB 0.308 42.355 42.059 -0.020 0.000 1.134 291 L HN 0.645 nan 8.230 nan 0.000 0.478 292 G N -0.160 108.611 108.800 -0.049 0.000 2.616 292 G HA2 0.233 4.194 3.960 0.001 0.000 0.268 292 G HA3 0.233 4.194 3.960 0.001 0.000 0.268 292 G C -1.992 172.895 174.900 -0.022 0.000 1.213 292 G CA -0.905 44.173 45.100 -0.037 0.000 0.926 292 G HN 0.457 nan 8.290 nan 0.000 0.523 293 P HA -0.092 nan 4.420 nan 0.000 0.217 293 P C 0.992 178.286 177.300 -0.009 0.000 1.148 293 P CA 1.561 64.656 63.100 -0.008 0.000 0.828 293 P CB 0.114 31.809 31.700 -0.008 0.000 0.783 294 D N -2.288 118.105 120.400 -0.012 0.000 2.336 294 D HA 0.108 4.748 4.640 0.001 0.000 0.229 294 D C 1.413 177.706 176.300 -0.011 0.000 1.061 294 D CA 0.517 54.510 54.000 -0.011 0.000 0.875 294 D CB -1.097 39.696 40.800 -0.011 0.000 0.904 294 D HN 0.195 nan 8.370 nan 0.000 0.525 295 G N -0.028 108.764 108.800 -0.013 0.000 2.184 295 G HA2 -0.338 3.623 3.960 0.001 0.000 0.264 295 G HA3 -0.338 3.623 3.960 0.001 0.000 0.264 295 G C 0.328 175.222 174.900 -0.010 0.000 0.975 295 G CA 0.100 45.193 45.100 -0.012 0.000 0.642 295 G HN 0.480 nan 8.290 nan 0.000 0.536 296 R N 0.194 120.684 120.500 -0.016 0.000 2.643 296 R HA 0.514 4.855 4.340 0.001 0.000 0.272 296 R C 0.347 176.623 176.300 -0.041 0.000 0.995 296 R CA -0.891 55.197 56.100 -0.019 0.000 1.032 296 R CB 1.001 31.289 30.300 -0.020 0.000 1.126 296 R HN 0.180 nan 8.270 nan 0.000 0.505 297 K N 1.522 121.888 120.400 -0.056 0.000 2.527 297 K HA -0.041 4.279 4.320 0.001 0.000 0.278 297 K C 0.244 176.769 176.600 -0.125 0.000 0.981 297 K CA 0.606 56.818 56.287 -0.125 0.000 1.009 297 K CB 0.383 32.775 32.500 -0.180 0.000 0.895 297 K HN 0.307 nan 8.250 nan 0.000 0.493 298 M N 2.145 121.648 119.600 -0.161 0.000 2.228 298 M HA 0.019 4.500 4.480 0.001 0.000 0.351 298 M C -0.308 175.915 176.300 -0.128 0.000 1.233 298 M CA 0.602 55.822 55.300 -0.134 0.000 1.129 298 M CB 0.810 33.317 32.600 -0.156 0.000 1.604 298 M HN 0.800 nan 8.290 nan 0.000 0.457 299 S N 2.099 117.750 115.700 -0.083 0.000 2.579 299 S HA 0.227 4.698 4.470 0.001 0.000 0.290 299 S C 0.043 174.621 174.600 -0.037 0.000 1.123 299 S CA -1.102 57.060 58.200 -0.062 0.000 0.894 299 S CB 1.410 64.574 63.200 -0.060 0.000 1.095 299 S HN 0.784 nan 8.310 nan 0.000 0.450 300 K N 1.960 122.346 120.400 -0.023 0.000 2.113 300 K HA -0.126 4.194 4.320 0.001 0.000 0.208 300 K C 1.579 178.172 176.600 -0.013 0.000 1.047 300 K CA 2.611 58.892 56.287 -0.011 0.000 0.928 300 K CB -1.316 31.183 32.500 -0.002 0.000 0.716 300 K HN 0.823 nan 8.250 nan 0.000 0.446 301 T N 1.789 116.333 114.554 -0.016 0.000 2.653 301 T HA -0.182 4.168 4.350 0.001 0.000 0.268 301 T C 1.767 176.458 174.700 -0.015 0.000 1.035 301 T CA 1.659 63.751 62.100 -0.015 0.000 1.154 301 T CB -0.110 68.748 68.868 -0.017 0.000 0.862 301 T HN 0.109 nan 8.240 nan 0.000 0.441 302 L N 0.095 121.306 121.223 -0.021 0.000 2.446 302 L HA 0.356 4.697 4.340 0.001 0.000 0.219 302 L C 1.974 178.834 176.870 -0.017 0.000 1.116 302 L CA 0.899 55.727 54.840 -0.020 0.000 0.844 302 L CB -0.878 41.165 42.059 -0.027 0.000 0.970 302 L HN 0.508 nan 8.230 nan 0.000 0.457 303 G N 0.826 109.616 108.800 -0.016 0.000 2.198 303 G HA2 -0.321 3.640 3.960 0.001 0.000 0.257 303 G HA3 -0.321 3.640 3.960 0.001 0.000 0.257 303 G C 0.446 175.339 174.900 -0.013 0.000 1.042 303 G CA 0.590 45.683 45.100 -0.011 0.000 0.791 303 G HN 0.515 nan 8.290 nan 0.000 0.502 304 N N -0.879 117.809 118.700 -0.020 0.000 2.282 304 N HA 0.229 4.969 4.740 0.001 0.000 0.240 304 N C 0.162 175.656 175.510 -0.027 0.000 1.182 304 N CA -0.092 52.944 53.050 -0.022 0.000 0.874 304 N CB 0.548 39.019 38.487 -0.027 0.000 1.126 304 N HN 0.235 nan 8.380 nan 0.000 0.516 305 V N 1.199 121.099 119.914 -0.024 0.000 2.521 305 V HA 0.147 4.268 4.120 0.001 0.000 0.286 305 V C 0.226 176.316 176.094 -0.006 0.000 1.034 305 V CA -0.484 61.801 62.300 -0.024 0.000 1.045 305 V CB 1.298 33.113 31.823 -0.013 0.000 0.974 305 V HN 0.039 nan 8.190 nan 0.000 0.480 306 V N 4.462 124.371 119.914 -0.009 0.000 2.347 306 V HA 0.269 4.389 4.120 0.001 0.000 0.280 306 V C -0.000 176.110 176.094 0.026 0.000 1.021 306 V CA -0.624 61.682 62.300 0.009 0.000 0.847 306 V CB 1.627 33.455 31.823 0.008 0.000 0.990 306 V HN 0.896 nan 8.190 nan 0.000 0.444 307 D N 8.124 128.551 120.400 0.046 0.000 2.325 307 D HA 0.239 4.879 4.640 0.001 0.000 0.251 307 D C -1.066 175.256 176.300 0.038 0.000 1.196 307 D CA -2.036 52.010 54.000 0.077 0.000 0.866 307 D CB 2.056 42.921 40.800 0.109 0.000 1.101 307 D HN 0.241 nan 8.370 nan 0.000 0.476 308 P HA -0.132 nan 4.420 nan 0.000 0.217 308 P C 1.342 178.479 177.300 -0.272 0.000 1.150 308 P CA 0.935 63.913 63.100 -0.203 0.000 0.832 308 P CB 0.015 31.497 31.700 -0.364 0.000 0.787 309 F N 0.590 120.599 119.950 0.098 0.000 2.325 309 F HA 0.071 4.598 4.527 0.001 0.000 0.299 309 F C 2.710 178.550 175.800 0.067 0.000 1.090 309 F CA 0.840 58.886 58.000 0.077 0.000 1.392 309 F CB -1.172 37.852 39.000 0.041 0.000 1.053 309 F HN -0.063 nan 8.300 nan 0.000 0.521 310 A N 0.055 122.986 122.820 0.184 0.000 1.898 310 A HA -0.083 4.238 4.320 0.001 0.000 0.216 310 A C 2.034 179.690 177.584 0.120 0.000 1.181 310 A CA 1.252 53.366 52.037 0.128 0.000 0.620 310 A CB -0.795 18.266 19.000 0.101 0.000 0.819 310 A HN 0.235 nan 8.150 nan 0.000 0.442 311 L N -0.556 120.735 121.223 0.113 0.000 2.056 311 L HA -0.081 4.260 4.340 0.001 0.000 0.207 311 L C 2.445 179.424 176.870 0.182 0.000 1.078 311 L CA 1.655 56.588 54.840 0.156 0.000 0.749 311 L CB -0.908 41.192 42.059 0.068 0.000 0.901 311 L HN 0.527 nan 8.230 nan 0.000 0.433 312 L N -0.844 120.453 121.223 0.123 0.000 2.083 312 L HA -0.250 4.091 4.340 0.001 0.000 0.209 312 L C 2.409 179.356 176.870 0.127 0.000 1.083 312 L CA 1.413 56.333 54.840 0.134 0.000 0.752 312 L CB -0.149 41.988 42.059 0.130 0.000 0.899 312 L HN 0.352 nan 8.230 nan 0.000 0.433 313 E N -0.275 119.994 120.200 0.116 0.000 2.072 313 E HA -0.281 4.070 4.350 0.001 0.000 0.191 313 E C 2.091 178.691 176.600 -0.001 0.000 0.985 313 E CA 1.430 57.870 56.400 0.068 0.000 0.801 313 E CB -0.012 29.727 29.700 0.065 0.000 0.750 313 E HN 0.433 nan 8.360 nan 0.000 0.452 314 K N -0.101 120.281 120.400 -0.030 0.000 2.044 314 K HA -0.091 4.229 4.320 0.001 0.000 0.204 314 K C 1.308 177.649 176.600 -0.432 0.000 1.049 314 K CA 1.099 57.238 56.287 -0.247 0.000 0.945 314 K CB 0.133 32.438 32.500 -0.325 0.000 0.724 314 K HN 0.105 nan 8.250 nan 0.000 0.440 315 Y N -0.532 119.699 120.300 -0.115 0.000 2.458 315 Y HA 0.314 4.865 4.550 0.001 0.000 0.254 315 Y C 0.602 176.427 175.900 -0.125 0.000 1.120 315 Y CA 0.202 58.160 58.100 -0.237 0.000 1.282 315 Y CB 1.323 39.582 38.460 -0.334 0.000 1.109 315 Y HN 0.234 nan 8.280 nan 0.000 0.526 316 G N 0.661 109.528 108.800 0.112 0.000 2.650 316 G HA2 -0.195 3.766 3.960 0.001 0.000 0.686 316 G HA3 -0.195 3.766 3.960 0.001 0.000 0.686 316 G C 0.377 175.386 174.900 0.182 0.000 1.205 316 G CA -0.247 44.937 45.100 0.141 0.000 0.781 316 G HN 0.216 nan 8.290 nan 0.000 0.648 317 R N 0.291 120.897 120.500 0.176 0.000 2.080 317 R HA -0.135 4.205 4.340 0.001 0.000 0.236 317 R C 1.846 178.280 176.300 0.223 0.000 1.137 317 R CA 2.402 58.615 56.100 0.188 0.000 0.943 317 R CB -0.402 30.002 30.300 0.174 0.000 0.846 317 R HN 0.588 nan 8.270 nan 0.000 0.431 318 D N 0.292 120.842 120.400 0.250 0.000 2.144 318 D HA -0.103 4.537 4.640 0.001 0.000 0.199 318 D C 1.758 178.280 176.300 0.371 0.000 0.984 318 D CA 1.457 55.640 54.000 0.304 0.000 0.834 318 D CB -0.248 40.742 40.800 0.317 0.000 0.955 318 D HN 0.448 nan 8.370 nan 0.000 0.465 319 A N 0.632 123.687 122.820 0.392 0.000 1.902 319 A HA -0.134 4.187 4.320 0.001 0.000 0.217 319 A C 2.132 179.920 177.584 0.341 0.000 1.181 319 A CA 0.995 53.280 52.037 0.414 0.000 0.623 319 A CB -0.668 18.552 19.000 0.367 0.000 0.818 319 A HN 0.255 nan 8.150 nan 0.000 0.443 320 L N -0.093 121.287 121.223 0.261 0.000 2.027 320 L HA -0.114 4.226 4.340 0.001 0.000 0.206 320 L C 2.428 179.454 176.870 0.260 0.000 1.074 320 L CA 1.986 56.970 54.840 0.240 0.000 0.745 320 L CB -0.665 41.500 42.059 0.176 0.000 0.898 320 L HN 0.353 nan 8.230 nan 0.000 0.433 321 R N -1.720 118.923 120.500 0.239 0.000 2.080 321 R HA -0.251 4.090 4.340 0.001 0.000 0.236 321 R C 2.300 178.716 176.300 0.194 0.000 1.137 321 R CA 2.058 58.276 56.100 0.198 0.000 0.943 321 R CB -1.009 29.418 30.300 0.212 0.000 0.846 321 R HN 0.447 nan 8.270 nan 0.000 0.431 322 Y N 0.625 121.021 120.300 0.158 0.000 2.128 322 Y HA -0.357 4.193 4.550 0.001 0.000 0.284 322 Y C 2.266 178.241 175.900 0.126 0.000 1.154 322 Y CA 1.698 59.877 58.100 0.132 0.000 1.149 322 Y CB -0.745 37.800 38.460 0.141 0.000 0.976 322 Y HN 0.144 nan 8.280 nan 0.000 0.505 323 Y N 0.306 120.572 120.300 -0.056 0.000 2.128 323 Y HA -0.278 4.273 4.550 0.001 0.000 0.284 323 Y C 2.084 177.906 175.900 -0.130 0.000 1.154 323 Y CA 2.138 60.150 58.100 -0.146 0.000 1.149 323 Y CB -0.821 37.622 38.460 -0.028 0.000 0.976 323 Y HN 0.193 nan 8.280 nan 0.000 0.505 324 L N -0.489 120.574 121.223 -0.267 0.000 2.046 324 L HA -0.231 4.110 4.340 0.001 0.000 0.208 324 L C 2.475 179.258 176.870 -0.144 0.000 1.077 324 L CA 1.348 56.030 54.840 -0.263 0.000 0.747 324 L CB -0.612 41.491 42.059 0.074 0.000 0.896 324 L HN 0.288 nan 8.230 nan 0.000 0.432 325 L N -0.766 120.353 121.223 -0.174 0.000 2.156 325 L HA -0.126 4.214 4.340 0.001 0.000 0.208 325 L C 2.715 179.462 176.870 -0.205 0.000 1.095 325 L CA 0.593 55.310 54.840 -0.206 0.000 0.770 325 L CB -0.304 41.559 42.059 -0.326 0.000 0.914 325 L HN 0.181 nan 8.230 nan 0.000 0.439 326 R N 0.504 120.788 120.500 -0.361 0.000 2.100 326 R HA -0.048 4.292 4.340 0.001 0.000 0.220 326 R C 1.809 177.989 176.300 -0.200 0.000 1.091 326 R CA 1.320 57.218 56.100 -0.338 0.000 0.986 326 R CB -0.004 29.866 30.300 -0.718 0.000 0.888 326 R HN 0.303 nan 8.270 nan 0.000 0.444 327 E N -0.373 119.647 120.200 -0.300 0.000 2.472 327 E HA 0.115 4.465 4.350 0.001 0.000 0.196 327 E C -0.330 176.106 176.600 -0.274 0.000 1.033 327 E CA 0.014 56.258 56.400 -0.259 0.000 0.886 327 E CB 0.669 30.194 29.700 -0.291 0.000 0.944 327 E HN 0.159 nan 8.360 nan 0.000 0.492 328 I N 2.787 123.201 120.570 -0.260 0.000 2.388 328 I HA 0.271 4.442 4.170 0.001 0.000 0.281 328 I C -2.589 173.437 176.117 -0.152 0.000 1.046 328 I CA -3.122 58.038 61.300 -0.234 0.000 1.187 328 I CB 0.425 38.248 38.000 -0.294 0.000 1.351 328 I HN -0.314 nan 8.210 nan 0.000 0.472 329 P HA -0.002 nan 4.420 nan 0.000 0.265 329 P C -0.372 176.892 177.300 -0.061 0.000 1.222 329 P CA 0.046 62.864 63.100 -0.470 0.000 0.767 329 P CB 0.046 31.381 31.700 -0.610 0.000 0.801 330 Y N 3.546 123.896 120.300 0.083 0.000 2.721 330 Y HA 0.203 4.753 4.550 0.001 0.000 0.329 330 Y C 1.754 177.725 175.900 0.118 0.000 1.211 330 Y CA 2.287 60.515 58.100 0.214 0.000 1.512 330 Y CB -0.215 38.438 38.460 0.322 0.000 1.249 330 Y HN 0.800 nan 8.280 nan 0.000 0.549 331 G N 3.623 112.212 108.800 -0.351 0.000 2.259 331 G HA2 -0.204 3.756 3.960 0.001 0.000 0.217 331 G HA3 -0.204 3.756 3.960 0.001 0.000 0.217 331 G C -0.264 174.628 174.900 -0.014 0.000 1.001 331 G CA 0.086 45.131 45.100 -0.091 0.000 0.627 331 G HN 0.800 nan 8.290 nan 0.000 0.501 332 Q N 1.069 120.811 119.800 -0.098 0.000 2.337 332 Q HA 0.621 4.961 4.340 0.001 0.000 0.266 332 Q C -1.504 174.413 176.000 -0.138 0.000 1.023 332 Q CA -1.042 54.698 55.803 -0.105 0.000 0.829 332 Q CB 1.892 30.568 28.738 -0.102 0.000 1.306 332 Q HN 0.101 nan 8.270 nan 0.000 0.449 333 D N 2.712 123.042 120.400 -0.115 0.000 2.531 333 D HA 0.110 4.750 4.640 0.001 0.000 0.239 333 D C -0.651 175.596 176.300 -0.089 0.000 1.144 333 D CA 0.790 54.743 54.000 -0.079 0.000 0.869 333 D CB 0.790 41.576 40.800 -0.024 0.000 1.160 333 D HN 0.484 nan 8.370 nan 0.000 0.484 334 T N 3.500 117.989 114.554 -0.109 0.000 2.971 334 T HA 0.398 4.748 4.350 0.001 0.000 0.304 334 T C -2.628 172.013 174.700 -0.098 0.000 1.038 334 T CA -1.284 60.745 62.100 -0.118 0.000 1.007 334 T CB 2.616 71.376 68.868 -0.180 0.000 1.055 334 T HN 0.165 nan 8.240 nan 0.000 0.451 335 P HA 0.430 nan 4.420 nan 0.000 0.278 335 P C -0.686 176.603 177.300 -0.018 0.000 1.238 335 P CA -0.447 62.631 63.100 -0.038 0.000 0.794 335 P CB 1.086 32.773 31.700 -0.021 0.000 0.955 336 V N -0.519 119.399 119.914 0.007 0.000 3.074 336 V HA 0.958 5.078 4.120 0.001 0.000 0.314 336 V C -0.449 175.687 176.094 0.070 0.000 1.117 336 V CA -0.974 61.383 62.300 0.095 0.000 1.014 336 V CB 1.659 33.541 31.823 0.097 0.000 1.057 336 V HN 0.863 nan 8.190 nan 0.000 0.438 337 S N -0.173 115.571 115.700 0.074 0.000 2.565 337 S HA 0.387 4.858 4.470 0.001 0.000 0.274 337 S C 0.302 174.816 174.600 -0.143 0.000 1.144 337 S CA 0.074 58.260 58.200 -0.024 0.000 0.849 337 S CB 1.571 64.758 63.200 -0.021 0.000 1.103 337 S HN 1.075 nan 8.310 nan 0.000 0.455 338 E N 0.594 120.717 120.200 -0.128 0.000 2.153 338 E HA -0.182 4.169 4.350 0.001 0.000 0.194 338 E C 1.126 177.574 176.600 -0.255 0.000 0.988 338 E CA 1.662 57.941 56.400 -0.202 0.000 0.811 338 E CB -0.107 29.562 29.700 -0.052 0.000 0.746 338 E HN 0.710 nan 8.360 nan 0.000 0.466 339 E N 0.333 120.448 120.200 -0.143 0.000 2.077 339 E HA -0.159 4.192 4.350 0.001 0.000 0.193 339 E C 1.799 178.305 176.600 -0.156 0.000 0.989 339 E CA 1.339 57.674 56.400 -0.109 0.000 0.800 339 E CB -0.240 29.431 29.700 -0.048 0.000 0.746 339 E HN 0.377 nan 8.360 nan 0.000 0.452 340 A N 0.614 123.324 122.820 -0.184 0.000 1.929 340 A HA -0.063 4.258 4.320 0.001 0.000 0.216 340 A C 2.163 179.495 177.584 -0.420 0.000 1.176 340 A CA 0.945 52.885 52.037 -0.161 0.000 0.628 340 A CB -0.589 18.425 19.000 0.022 0.000 0.816 340 A HN 0.311 nan 8.150 nan 0.000 0.444 341 L N -0.698 119.993 121.223 -0.888 0.000 2.056 341 L HA -0.151 4.190 4.340 0.001 0.000 0.207 341 L C 2.645 179.158 176.870 -0.594 0.000 1.078 341 L CA 2.007 56.171 54.840 -1.126 0.000 0.749 341 L CB -0.303 41.034 42.059 -1.203 0.000 0.901 341 L HN 0.492 nan 8.230 nan 0.000 0.433 342 R N -0.364 119.803 120.500 -0.556 0.000 2.073 342 R HA -0.182 4.158 4.340 0.001 0.000 0.234 342 R C 2.295 178.584 176.300 -0.019 0.000 1.134 342 R CA 2.218 58.152 56.100 -0.276 0.000 0.952 342 R CB -0.503 29.734 30.300 -0.104 0.000 0.850 342 R HN 0.614 nan 8.270 nan 0.000 0.433 343 T N -1.223 113.303 114.554 -0.047 0.000 2.746 343 T HA -0.154 4.196 4.350 0.001 0.000 0.267 343 T C 1.941 176.667 174.700 0.043 0.000 1.039 343 T CA 1.251 63.359 62.100 0.014 0.000 1.142 343 T CB -0.347 68.524 68.868 0.004 0.000 0.866 343 T HN 0.197 nan 8.240 nan 0.000 0.444 344 R N 0.258 120.784 120.500 0.045 0.000 2.096 344 R HA -0.033 4.307 4.340 0.001 0.000 0.235 344 R C 2.149 178.536 176.300 0.145 0.000 1.127 344 R CA 1.334 57.510 56.100 0.125 0.000 0.968 344 R CB -1.343 29.076 30.300 0.199 0.000 0.861 344 R HN 0.615 nan 8.270 nan 0.000 0.440 345 Y N 1.260 121.555 120.300 -0.008 0.000 2.133 345 Y HA -0.125 4.425 4.550 0.001 0.000 0.287 345 Y C 1.720 177.593 175.900 -0.045 0.000 1.134 345 Y CA 2.239 60.321 58.100 -0.031 0.000 1.133 345 Y CB -0.102 38.357 38.460 -0.001 0.000 0.987 345 Y HN 0.223 nan 8.280 nan 0.000 0.502 346 E N 0.024 120.259 120.200 0.059 0.000 2.077 346 E HA -0.200 4.150 4.350 0.001 0.000 0.193 346 E C 2.316 178.864 176.600 -0.087 0.000 0.989 346 E CA 1.028 57.415 56.400 -0.020 0.000 0.800 346 E CB -0.322 29.435 29.700 0.094 0.000 0.746 346 E HN 0.581 nan 8.360 nan 0.000 0.452 347 A N 1.602 124.397 122.820 -0.042 0.000 1.855 347 A HA -0.159 4.161 4.320 0.001 0.000 0.213 347 A C 1.627 179.169 177.584 -0.070 0.000 1.195 347 A CA 1.654 53.672 52.037 -0.033 0.000 0.610 347 A CB -0.237 18.770 19.000 0.012 0.000 0.837 347 A HN 0.041 nan 8.150 nan 0.000 0.444 348 D N -0.369 119.983 120.400 -0.080 0.000 2.162 348 D HA 0.043 4.683 4.640 0.001 0.000 0.205 348 D C 2.000 178.101 176.300 -0.333 0.000 0.964 348 D CA 0.925 54.852 54.000 -0.123 0.000 0.847 348 D CB -0.086 40.726 40.800 0.021 0.000 0.988 348 D HN 0.408 nan 8.370 nan 0.000 0.480 349 L N 0.136 121.017 121.223 -0.570 0.000 2.185 349 L HA 0.206 4.547 4.340 0.001 0.000 0.198 349 L C 2.417 178.861 176.870 -0.710 0.000 1.079 349 L CA 0.767 54.989 54.840 -1.030 0.000 0.780 349 L CB -0.538 40.433 42.059 -1.813 0.000 0.955 349 L HN -0.064 nan 8.230 nan 0.000 0.462 350 A N -0.151 122.266 122.820 -0.672 0.000 1.898 350 A HA -0.226 4.095 4.320 0.001 0.000 0.216 350 A C 1.884 179.392 177.584 -0.126 0.000 1.181 350 A CA 2.154 54.011 52.037 -0.299 0.000 0.620 350 A CB -0.470 18.358 19.000 -0.288 0.000 0.819 350 A HN 0.440 nan 8.150 nan 0.000 0.442 351 D N -0.544 119.773 120.400 -0.139 0.000 2.196 351 D HA -0.079 4.561 4.640 0.001 0.000 0.228 351 D C 1.345 177.615 176.300 -0.050 0.000 1.028 351 D CA 1.060 55.021 54.000 -0.065 0.000 0.924 351 D CB -0.370 40.401 40.800 -0.049 0.000 1.025 351 D HN 0.178 nan 8.370 nan 0.000 0.438 352 D N -0.126 120.237 120.400 -0.061 0.000 2.126 352 D HA -0.166 4.475 4.640 0.001 0.000 0.190 352 D C 1.950 178.232 176.300 -0.032 0.000 1.001 352 D CA 0.946 54.922 54.000 -0.039 0.000 0.841 352 D CB -0.273 40.504 40.800 -0.039 0.000 0.949 352 D HN 0.195 nan 8.370 nan 0.000 0.446 353 L N 0.084 121.273 121.223 -0.057 0.000 2.185 353 L HA 0.245 4.585 4.340 0.001 0.000 0.198 353 L C 2.246 179.158 176.870 0.068 0.000 1.079 353 L CA 1.813 56.652 54.840 -0.001 0.000 0.780 353 L CB -1.006 41.044 42.059 -0.015 0.000 0.955 353 L HN 0.066 nan 8.230 nan 0.000 0.462 354 G N -0.315 108.562 108.800 0.129 0.000 2.459 354 G HA2 -0.368 3.593 3.960 0.001 0.000 0.217 354 G HA3 -0.368 3.593 3.960 0.001 0.000 0.217 354 G C 1.517 176.466 174.900 0.081 0.000 1.183 354 G CA 0.933 46.145 45.100 0.186 0.000 0.776 354 G HN 0.522 nan 8.290 nan 0.000 0.552 355 N N 0.132 118.859 118.700 0.046 0.000 2.309 355 N HA -0.073 4.668 4.740 0.001 0.000 0.182 355 N C 2.222 177.750 175.510 0.031 0.000 1.018 355 N CA 1.008 54.076 53.050 0.030 0.000 0.876 355 N CB -0.049 38.446 38.487 0.014 0.000 0.972 355 N HN 0.271 nan 8.380 nan 0.000 0.434 356 L N 1.181 122.423 121.223 0.032 0.000 2.056 356 L HA -0.059 4.281 4.340 0.001 0.000 0.207 356 L C 2.191 179.083 176.870 0.037 0.000 1.078 356 L CA 1.273 56.135 54.840 0.037 0.000 0.749 356 L CB -0.750 41.326 42.059 0.028 0.000 0.901 356 L HN -0.095 nan 8.230 nan 0.000 0.433 357 V N -0.050 119.884 119.914 0.034 0.000 2.343 357 V HA -0.336 3.784 4.120 0.001 0.000 0.247 357 V C 2.622 178.732 176.094 0.027 0.000 1.051 357 V CA 2.072 64.387 62.300 0.025 0.000 1.036 357 V CB -0.751 31.086 31.823 0.024 0.000 0.654 357 V HN 0.687 nan 8.190 nan 0.000 0.451 358 Q N 0.111 119.930 119.800 0.033 0.000 2.050 358 Q HA -0.222 4.119 4.340 0.001 0.000 0.202 358 Q C 2.479 178.501 176.000 0.038 0.000 0.980 358 Q CA 1.767 57.591 55.803 0.035 0.000 0.840 358 Q CB -0.078 28.677 28.738 0.028 0.000 0.898 358 Q HN 0.565 nan 8.270 nan 0.000 0.424 359 R N -0.514 120.006 120.500 0.034 0.000 2.115 359 R HA -0.059 4.282 4.340 0.001 0.000 0.230 359 R C 2.284 178.621 176.300 0.061 0.000 1.111 359 R CA 1.586 57.709 56.100 0.038 0.000 0.976 359 R CB -0.282 30.041 30.300 0.039 0.000 0.870 359 R HN 0.294 nan 8.270 nan 0.000 0.445 360 T N 0.778 115.366 114.554 0.057 0.000 2.777 360 T HA -0.082 4.268 4.350 0.001 0.000 0.266 360 T C 1.814 176.521 174.700 0.012 0.000 1.040 360 T CA 1.090 63.221 62.100 0.052 0.000 1.141 360 T CB -0.073 68.813 68.868 0.029 0.000 0.868 360 T HN 0.267 nan 8.240 nan 0.000 0.444 361 R N 0.912 121.415 120.500 0.006 0.000 2.073 361 R HA 0.013 4.353 4.340 0.001 0.000 0.234 361 R C 2.833 179.174 176.300 0.069 0.000 1.134 361 R CA 1.303 57.388 56.100 -0.025 0.000 0.952 361 R CB -0.503 29.841 30.300 0.074 0.000 0.850 361 R HN 0.352 nan 8.270 nan 0.000 0.433 362 A N 1.053 123.946 122.820 0.121 0.000 1.883 362 A HA -0.200 4.120 4.320 0.001 0.000 0.217 362 A C 2.163 179.749 177.584 0.003 0.000 1.186 362 A CA 1.628 53.735 52.037 0.116 0.000 0.624 362 A CB -0.458 18.557 19.000 0.026 0.000 0.822 362 A HN 0.218 nan 8.150 nan 0.000 0.444 363 M N -0.794 118.800 119.600 -0.010 0.000 2.319 363 M HA -0.005 4.476 4.480 0.001 0.000 0.265 363 M C 1.984 178.247 176.300 -0.061 0.000 1.068 363 M CA 0.929 56.206 55.300 -0.039 0.000 1.118 363 M CB -0.401 32.345 32.600 0.243 0.000 1.395 363 M HN 0.352 nan 8.290 nan 0.000 0.435 364 L N -1.027 120.153 121.223 -0.071 0.000 2.093 364 L HA -0.142 4.199 4.340 0.001 0.000 0.208 364 L C 2.231 178.983 176.870 -0.197 0.000 1.085 364 L CA 1.338 56.093 54.840 -0.142 0.000 0.755 364 L CB -0.530 41.371 42.059 -0.263 0.000 0.904 364 L HN 0.195 nan 8.230 nan 0.000 0.435 365 F N -0.391 119.496 119.950 -0.105 0.000 2.186 365 F HA -0.158 4.370 4.527 0.001 0.000 0.299 365 F C 2.876 178.552 175.800 -0.206 0.000 1.090 365 F CA 1.039 58.967 58.000 -0.120 0.000 1.307 365 F CB -0.167 38.765 39.000 -0.113 0.000 1.019 365 F HN -0.076 nan 8.300 nan 0.000 0.489 366 R N -0.213 120.165 120.500 -0.202 0.000 2.073 366 R HA -0.070 4.271 4.340 0.001 0.000 0.229 366 R C 1.353 177.236 176.300 -0.695 0.000 1.120 366 R CA 1.528 57.283 56.100 -0.574 0.000 0.967 366 R CB -0.196 29.476 30.300 -1.046 0.000 0.862 366 R HN 0.288 nan 8.270 nan 0.000 0.436 367 F N -1.979 117.813 119.950 -0.264 0.000 2.682 367 F HA 0.383 4.910 4.527 0.001 0.000 0.308 367 F C 0.915 176.661 175.800 -0.090 0.000 1.093 367 F CA -0.314 57.410 58.000 -0.460 0.000 1.244 367 F CB 1.168 39.837 39.000 -0.552 0.000 1.052 367 F HN 0.005 nan 8.300 nan 0.000 0.573 368 A N 0.198 123.072 122.820 0.090 0.000 2.594 368 A HA 0.340 4.661 4.320 0.001 0.000 0.292 368 A C 0.534 178.150 177.584 0.054 0.000 1.026 368 A CA -0.250 51.848 52.037 0.102 0.000 0.983 368 A CB -0.437 18.612 19.000 0.082 0.000 1.233 368 A HN 0.353 nan 8.150 nan 0.000 0.519 369 E N -0.993 119.244 120.200 0.062 0.000 2.539 369 E HA -0.254 4.096 4.350 0.001 0.000 0.253 369 E C 0.877 177.504 176.600 0.044 0.000 1.145 369 E CA 0.772 57.214 56.400 0.070 0.000 0.738 369 E CB -1.926 27.819 29.700 0.075 0.000 1.308 369 E HN 1.807 nan 8.360 nan 0.000 0.409 370 G N 0.176 108.952 108.800 -0.039 0.000 2.249 370 G HA2 -0.374 3.587 3.960 0.001 0.000 0.273 370 G HA3 -0.374 3.587 3.960 0.001 0.000 0.273 370 G C 0.055 174.814 174.900 -0.235 0.000 1.036 370 G CA 1.032 45.964 45.100 -0.279 0.000 0.824 370 G HN 0.340 nan 8.290 nan 0.000 0.504 371 R N -1.393 119.022 120.500 -0.141 0.000 2.808 371 R HA 0.653 4.994 4.340 0.001 0.000 0.272 371 R C 0.081 176.352 176.300 -0.048 0.000 0.995 371 R CA -1.230 54.824 56.100 -0.077 0.000 0.917 371 R CB 1.474 31.767 30.300 -0.012 0.000 1.217 371 R HN 0.144 nan 8.270 nan 0.000 0.471 372 I N 3.173 123.734 120.570 -0.015 0.000 2.471 372 I HA 0.154 4.324 4.170 0.001 0.000 0.286 372 I C -1.913 174.274 176.117 0.115 0.000 1.079 372 I CA -1.772 59.555 61.300 0.045 0.000 1.398 372 I CB 0.814 38.844 38.000 0.050 0.000 1.403 372 I HN 0.196 nan 8.210 nan 0.000 0.530 373 P HA 0.004 nan 4.420 nan 0.000 0.274 373 P C -0.572 176.786 177.300 0.097 0.000 1.264 373 P CA -0.377 62.816 63.100 0.155 0.000 0.795 373 P CB 0.469 32.286 31.700 0.195 0.000 1.064 374 E N 1.040 121.229 120.200 -0.018 0.000 2.384 374 E HA 0.138 4.489 4.350 0.001 0.000 0.266 374 E C -2.178 174.146 176.600 -0.459 0.000 1.012 374 E CA -1.744 54.570 56.400 -0.143 0.000 0.901 374 E CB -0.764 28.883 29.700 -0.087 0.000 0.967 374 E HN 0.224 nan 8.360 nan 0.000 0.435 375 P HA -0.012 nan 4.420 nan 0.000 0.265 375 P C -1.183 175.765 177.300 -0.587 0.000 1.193 375 P CA 0.028 62.347 63.100 -1.302 0.000 0.765 375 P CB 0.583 31.921 31.700 -0.603 0.000 0.823 376 V N -0.525 119.152 119.914 -0.394 0.000 3.130 376 V HA 0.872 4.993 4.120 0.001 0.000 0.310 376 V C -0.169 176.110 176.094 0.308 0.000 1.158 376 V CA -1.654 60.661 62.300 0.024 0.000 1.029 376 V CB 1.388 33.258 31.823 0.077 0.000 1.057 376 V HN 0.593 nan 8.190 nan 0.000 0.436 377 A N 1.158 124.078 122.820 0.167 0.000 2.492 377 A HA 0.536 4.857 4.320 0.001 0.000 0.236 377 A C 1.503 178.999 177.584 -0.146 0.000 1.078 377 A CA 0.515 52.573 52.037 0.034 0.000 0.773 377 A CB -0.096 18.869 19.000 -0.058 0.000 1.023 377 A HN 2.026 nan 8.150 nan 0.000 0.504 378 G N -0.829 107.404 108.800 -0.945 0.000 2.551 378 G HA2 0.273 4.233 3.960 0.001 0.000 0.216 378 G HA3 0.273 4.233 3.960 0.001 0.000 0.216 378 G C 0.573 175.085 174.900 -0.647 0.000 1.137 378 G CA 0.967 45.254 45.100 -1.356 0.000 0.798 378 G HN 0.891 nan 8.290 nan 0.000 0.536 379 E N 0.133 120.085 120.200 -0.413 0.000 3.229 379 E HA -0.290 4.060 4.350 0.001 0.000 0.354 379 E C 1.316 177.778 176.600 -0.229 0.000 1.487 379 E CA 1.734 58.003 56.400 -0.219 0.000 1.617 379 E CB -1.229 28.418 29.700 -0.088 0.000 1.768 379 E HN 0.408 nan 8.360 nan 0.000 0.497 380 E N 1.070 121.184 120.200 -0.144 0.000 2.204 380 E HA -0.051 4.300 4.350 0.001 0.000 0.195 380 E C 2.109 178.619 176.600 -0.151 0.000 0.990 380 E CA 1.265 57.603 56.400 -0.103 0.000 0.821 380 E CB -0.159 29.542 29.700 0.002 0.000 0.750 380 E HN 0.335 nan 8.360 nan 0.000 0.477 381 L N -0.153 120.894 121.223 -0.294 0.000 2.509 381 L HA 0.159 4.500 4.340 0.001 0.000 0.222 381 L C 2.159 178.924 176.870 -0.174 0.000 1.123 381 L CA 0.280 55.021 54.840 -0.165 0.000 0.856 381 L CB -0.242 41.661 42.059 -0.260 0.000 0.985 381 L HN 0.137 nan 8.230 nan 0.000 0.456 382 A N 1.203 123.724 122.820 -0.499 0.000 2.024 382 A HA -0.212 4.109 4.320 0.001 0.000 0.220 382 A C 2.104 179.602 177.584 -0.144 0.000 1.164 382 A CA 1.544 53.262 52.037 -0.531 0.000 0.643 382 A CB -0.403 18.248 19.000 -0.581 0.000 0.806 382 A HN 0.646 nan 8.150 nan 0.000 0.451 383 E N -0.440 119.696 120.200 -0.107 0.000 2.463 383 E HA -0.048 4.303 4.350 0.001 0.000 0.201 383 E C 1.627 178.137 176.600 -0.149 0.000 1.045 383 E CA 0.607 56.958 56.400 -0.082 0.000 0.872 383 E CB -0.606 29.062 29.700 -0.053 0.000 0.797 383 E HN 0.460 nan 8.360 nan 0.000 0.538 384 G N 2.108 110.771 108.800 -0.228 0.000 2.470 384 G HA2 -0.301 3.659 3.960 0.001 0.000 0.220 384 G HA3 -0.301 3.659 3.960 0.001 0.000 0.220 384 G C 1.779 176.514 174.900 -0.275 0.000 1.121 384 G CA 1.232 45.925 45.100 -0.679 0.000 0.766 384 G HN 0.465 nan 8.290 nan 0.000 0.553 385 T N -2.184 112.344 114.554 -0.043 0.000 3.072 385 T HA 0.165 4.515 4.350 0.001 0.000 0.266 385 T C 2.119 176.805 174.700 -0.024 0.000 1.127 385 T CA 1.203 63.312 62.100 0.016 0.000 1.107 385 T CB 0.158 69.091 68.868 0.109 0.000 0.910 385 T HN 0.164 nan 8.240 nan 0.000 0.513 386 G N 0.548 109.313 108.800 -0.058 0.000 2.986 386 G HA2 0.276 4.236 3.960 0.001 0.000 0.213 386 G HA3 0.276 4.236 3.960 0.001 0.000 0.213 386 G C 1.288 176.164 174.900 -0.039 0.000 1.156 386 G CA -0.249 44.828 45.100 -0.039 0.000 0.763 386 G HN 0.494 nan 8.290 nan 0.000 0.547 387 L N 0.680 121.858 121.223 -0.076 0.000 2.046 387 L HA -0.088 4.253 4.340 0.001 0.000 0.208 387 L C 3.327 180.222 176.870 0.042 0.000 1.077 387 L CA 1.121 55.936 54.840 -0.041 0.000 0.747 387 L CB -0.368 41.635 42.059 -0.094 0.000 0.896 387 L HN 0.282 nan 8.230 nan 0.000 0.432 388 A N 0.544 123.392 122.820 0.046 0.000 1.883 388 A HA -0.185 4.135 4.320 0.001 0.000 0.217 388 A C 2.417 180.077 177.584 0.126 0.000 1.186 388 A CA 1.955 54.056 52.037 0.107 0.000 0.624 388 A CB -1.404 17.603 19.000 0.011 0.000 0.822 388 A HN 0.448 nan 8.150 nan 0.000 0.444 389 G N -0.807 108.031 108.800 0.062 0.000 2.450 389 G HA2 -0.227 3.734 3.960 0.001 0.000 0.220 389 G HA3 -0.227 3.734 3.960 0.001 0.000 0.220 389 G C 1.754 176.688 174.900 0.056 0.000 1.130 389 G CA 0.968 46.102 45.100 0.057 0.000 0.760 389 G HN 0.607 nan 8.290 nan 0.000 0.557 390 R N -0.396 120.130 120.500 0.042 0.000 2.119 390 R HA 0.227 4.567 4.340 0.001 0.000 0.222 390 R C 2.432 178.743 176.300 0.019 0.000 1.088 390 R CA 0.438 56.550 56.100 0.020 0.000 0.984 390 R CB -0.251 30.051 30.300 0.004 0.000 0.884 390 R HN 0.314 nan 8.270 nan 0.000 0.447 391 L N 0.024 121.287 121.223 0.067 0.000 2.240 391 L HA 0.002 4.343 4.340 0.001 0.000 0.211 391 L C 2.344 179.196 176.870 -0.029 0.000 1.106 391 L CA 0.801 55.655 54.840 0.024 0.000 0.793 391 L CB -0.368 41.774 42.059 0.138 0.000 0.927 391 L HN 0.141 nan 8.230 nan 0.000 0.446 392 R N 0.633 121.228 120.500 0.157 0.000 2.094 392 R HA -0.172 4.169 4.340 0.001 0.000 0.239 392 R C -0.256 176.038 176.300 -0.011 0.000 1.137 392 R CA 2.008 58.204 56.100 0.159 0.000 0.943 392 R CB -1.565 28.859 30.300 0.208 0.000 0.850 392 R HN 0.361 nan 8.270 nan 0.000 0.433 393 P HA -0.145 nan 4.420 nan 0.000 0.218 393 P C 1.378 178.615 177.300 -0.104 0.000 1.149 393 P CA 1.340 64.423 63.100 -0.028 0.000 0.817 393 P CB -0.074 31.620 31.700 -0.010 0.000 0.785 394 L N -0.662 120.469 121.223 -0.153 0.000 2.017 394 L HA -0.129 4.212 4.340 0.001 0.000 0.208 394 L C 2.771 179.432 176.870 -0.349 0.000 1.073 394 L CA 1.294 55.994 54.840 -0.234 0.000 0.745 394 L CB -1.146 40.773 42.059 -0.234 0.000 0.894 394 L HN -0.165 nan 8.230 nan 0.000 0.432 395 V N -0.365 119.312 119.914 -0.395 0.000 2.295 395 V HA -0.229 3.891 4.120 0.001 0.000 0.246 395 V C 2.645 178.589 176.094 -0.251 0.000 1.049 395 V CA 1.516 63.548 62.300 -0.447 0.000 1.024 395 V CB -0.662 30.664 31.823 -0.827 0.000 0.648 395 V HN 0.420 nan 8.190 nan 0.000 0.447 396 R N 1.012 121.445 120.500 -0.111 0.000 2.152 396 R HA -0.143 4.198 4.340 0.001 0.000 0.232 396 R C 1.861 178.185 176.300 0.041 0.000 1.117 396 R CA 1.391 57.578 56.100 0.144 0.000 0.981 396 R CB -0.517 29.884 30.300 0.168 0.000 0.870 396 R HN 0.864 nan 8.270 nan 0.000 0.451 397 E N 1.104 121.226 120.200 -0.131 0.000 2.419 397 E HA 0.067 4.418 4.350 0.001 0.000 0.190 397 E C 0.092 176.530 176.600 -0.270 0.000 1.040 397 E CA -0.129 56.168 56.400 -0.173 0.000 0.900 397 E CB -0.174 29.445 29.700 -0.134 0.000 1.054 397 E HN 0.138 nan 8.360 nan 0.000 0.462 398 L N 0.011 120.956 121.223 -0.463 0.000 4.089 398 L HA -0.205 4.136 4.340 0.001 0.000 0.408 398 L C -0.298 176.065 176.870 -0.844 0.000 1.184 398 L CA 0.507 54.848 54.840 -0.832 0.000 0.947 398 L CB -1.388 40.495 42.059 -0.294 0.000 2.066 398 L HN 0.200 nan 8.230 nan 0.000 0.851 399 K N 0.320 120.273 120.400 -0.744 0.000 3.000 399 K HA 0.320 4.641 4.320 0.001 0.000 0.239 399 K C 0.937 177.227 176.600 -0.517 0.000 1.269 399 K CA -0.239 55.774 56.287 -0.457 0.000 1.220 399 K CB -0.183 32.096 32.500 -0.368 0.000 1.645 399 K HN 0.240 nan 8.250 nan 0.000 0.423 400 F N 0.794 120.674 119.950 -0.117 0.000 2.161 400 F HA -0.248 4.280 4.527 0.001 0.000 0.300 400 F C 2.585 178.240 175.800 -0.241 0.000 1.089 400 F CA 1.341 59.155 58.000 -0.311 0.000 1.282 400 F CB -0.435 38.279 39.000 -0.476 0.000 1.010 400 F HN 0.427 nan 8.300 nan 0.000 0.485 401 H N -0.401 118.635 119.070 -0.058 0.000 2.387 401 H HA -0.060 4.496 4.556 0.001 0.000 0.299 401 H C 2.144 177.429 175.328 -0.072 0.000 1.090 401 H CA 1.744 57.744 56.048 -0.080 0.000 1.332 401 H CB -1.331 28.393 29.762 -0.063 0.000 1.386 401 H HN 0.258 nan 8.280 nan 0.000 0.516 402 V N 1.781 121.287 119.914 -0.681 0.000 2.427 402 V HA -0.147 3.973 4.120 0.001 0.000 0.248 402 V C 3.203 179.172 176.094 -0.208 0.000 1.051 402 V CA 1.432 63.471 62.300 -0.435 0.000 1.048 402 V CB -1.122 30.412 31.823 -0.482 0.000 0.666 402 V HN 0.636 nan 8.190 nan 0.000 0.456 403 A N 0.173 122.870 122.820 -0.204 0.000 1.858 403 A HA -0.167 4.154 4.320 0.001 0.000 0.216 403 A C 2.236 179.822 177.584 0.003 0.000 1.190 403 A CA 1.894 53.868 52.037 -0.106 0.000 0.617 403 A CB -0.611 18.297 19.000 -0.154 0.000 0.827 403 A HN 0.482 nan 8.150 nan 0.000 0.443 404 L N -0.865 120.365 121.223 0.012 0.000 2.083 404 L HA -0.214 4.127 4.340 0.001 0.000 0.209 404 L C 2.685 179.630 176.870 0.124 0.000 1.083 404 L CA 1.813 56.725 54.840 0.119 0.000 0.752 404 L CB -0.533 41.585 42.059 0.099 0.000 0.899 404 L HN 0.629 nan 8.230 nan 0.000 0.433 405 E N 0.469 120.701 120.200 0.052 0.000 2.085 405 E HA -0.263 4.088 4.350 0.001 0.000 0.194 405 E C 1.993 178.634 176.600 0.069 0.000 0.994 405 E CA 1.467 57.902 56.400 0.058 0.000 0.801 405 E CB 0.072 29.778 29.700 0.010 0.000 0.743 405 E HN 0.492 nan 8.360 nan 0.000 0.453 406 E N -0.186 120.041 120.200 0.046 0.000 2.106 406 E HA -0.172 4.179 4.350 0.001 0.000 0.192 406 E C 2.013 178.680 176.600 0.112 0.000 0.984 406 E CA 0.751 57.187 56.400 0.061 0.000 0.806 406 E CB -0.079 29.637 29.700 0.026 0.000 0.750 406 E HN 0.354 nan 8.360 nan 0.000 0.458 407 A N 1.164 124.065 122.820 0.135 0.000 1.898 407 A HA -0.159 4.161 4.320 0.001 0.000 0.216 407 A C 2.115 179.820 177.584 0.201 0.000 1.181 407 A CA 1.151 53.297 52.037 0.183 0.000 0.620 407 A CB -0.239 18.883 19.000 0.204 0.000 0.819 407 A HN 0.118 nan 8.150 nan 0.000 0.442 408 M N -0.399 119.303 119.600 0.169 0.000 2.296 408 M HA -0.029 4.452 4.480 0.001 0.000 0.265 408 M C 2.398 178.771 176.300 0.121 0.000 1.064 408 M CA 1.253 56.636 55.300 0.138 0.000 1.109 408 M CB -1.398 31.293 32.600 0.151 0.000 1.396 408 M HN 0.499 nan 8.290 nan 0.000 0.430 409 A N -0.965 121.933 122.820 0.131 0.000 1.969 409 A HA -0.208 4.112 4.320 0.001 0.000 0.218 409 A C 2.078 179.755 177.584 0.155 0.000 1.169 409 A CA 1.195 53.303 52.037 0.117 0.000 0.635 409 A CB -0.953 18.110 19.000 0.104 0.000 0.810 409 A HN 0.480 nan 8.150 nan 0.000 0.445 410 Y N 0.604 120.934 120.300 0.051 0.000 2.200 410 Y HA -0.130 4.421 4.550 0.001 0.000 0.290 410 Y C 2.326 178.256 175.900 0.050 0.000 1.137 410 Y CA 1.510 59.639 58.100 0.049 0.000 1.163 410 Y CB -0.437 38.056 38.460 0.055 0.000 0.988 410 Y HN 0.061 nan 8.280 nan 0.000 0.518 411 V N 0.722 120.655 119.914 0.032 0.000 2.332 411 V HA -0.348 3.772 4.120 0.001 0.000 0.248 411 V C 2.262 178.321 176.094 -0.058 0.000 1.055 411 V CA 2.385 64.651 62.300 -0.056 0.000 1.038 411 V CB -0.586 31.245 31.823 0.015 0.000 0.651 411 V HN 0.336 nan 8.190 nan 0.000 0.450 412 K N 0.138 120.536 120.400 -0.004 0.000 2.097 412 K HA -0.100 4.220 4.320 0.001 0.000 0.206 412 K C 2.295 178.895 176.600 -0.000 0.000 1.049 412 K CA 1.392 57.685 56.287 0.009 0.000 0.933 412 K CB -0.403 32.117 32.500 0.035 0.000 0.717 412 K HN 0.485 nan 8.250 nan 0.000 0.442 413 A N 1.429 124.237 122.820 -0.021 0.000 1.933 413 A HA -0.120 4.200 4.320 0.001 0.000 0.218 413 A C 2.084 179.638 177.584 -0.050 0.000 1.175 413 A CA 1.171 53.198 52.037 -0.017 0.000 0.628 413 A CB -0.598 18.404 19.000 0.004 0.000 0.814 413 A HN 0.151 nan 8.150 nan 0.000 0.444 414 L N -0.308 120.809 121.223 -0.177 0.000 2.083 414 L HA -0.209 4.132 4.340 0.001 0.000 0.209 414 L C 2.404 179.296 176.870 0.037 0.000 1.083 414 L CA 1.247 56.011 54.840 -0.127 0.000 0.752 414 L CB -0.755 41.169 42.059 -0.225 0.000 0.899 414 L HN 0.439 nan 8.230 nan 0.000 0.433 415 N N 0.403 119.117 118.700 0.023 0.000 2.084 415 N HA -0.156 4.585 4.740 0.001 0.000 0.190 415 N C 1.955 177.521 175.510 0.093 0.000 1.030 415 N CA 1.282 54.369 53.050 0.063 0.000 0.849 415 N CB -0.127 38.385 38.487 0.041 0.000 1.012 415 N HN 0.375 nan 8.380 nan 0.000 0.423 416 R N -0.196 120.353 120.500 0.082 0.000 2.096 416 R HA -0.136 4.204 4.340 0.001 0.000 0.235 416 R C 2.082 178.442 176.300 0.101 0.000 1.127 416 R CA 0.833 56.983 56.100 0.084 0.000 0.968 416 R CB -0.545 29.798 30.300 0.072 0.000 0.861 416 R HN 0.332 nan 8.270 nan 0.000 0.440 417 Y N 1.735 122.033 120.300 -0.002 0.000 2.165 417 Y HA -0.236 4.315 4.550 0.001 0.000 0.286 417 Y C 2.152 178.047 175.900 -0.008 0.000 1.155 417 Y CA 1.304 59.398 58.100 -0.010 0.000 1.164 417 Y CB -0.110 38.340 38.460 -0.017 0.000 0.978 417 Y HN -0.096 nan 8.280 nan 0.000 0.513 418 I N 0.746 121.381 120.570 0.107 0.000 2.099 418 I HA -0.373 3.797 4.170 0.001 0.000 0.239 418 I C 1.880 177.992 176.117 -0.008 0.000 1.066 418 I CA 1.994 63.331 61.300 0.061 0.000 1.324 418 I CB -1.484 36.636 38.000 0.199 0.000 1.037 418 I HN 0.399 nan 8.210 nan 0.000 0.401 419 N N 0.108 118.872 118.700 0.106 0.000 2.289 419 N HA -0.227 4.514 4.740 0.001 0.000 0.184 419 N C 1.818 177.315 175.510 -0.021 0.000 1.016 419 N CA 0.877 54.015 53.050 0.146 0.000 0.872 419 N CB -0.038 38.539 38.487 0.151 0.000 0.973 419 N HN 0.466 nan 8.380 nan 0.000 0.433 420 E N 1.253 121.393 120.200 -0.099 0.000 2.028 420 E HA -0.132 4.218 4.350 0.001 0.000 0.190 420 E C 1.371 177.807 176.600 -0.274 0.000 0.984 420 E CA 0.878 57.185 56.400 -0.154 0.000 0.800 420 E CB 0.300 29.913 29.700 -0.144 0.000 0.758 420 E HN 0.123 nan 8.360 nan 0.000 0.448 421 K N 0.768 120.911 120.400 -0.428 0.000 2.167 421 K HA -0.007 4.313 4.320 0.001 0.000 0.203 421 K C 0.216 176.493 176.600 -0.538 0.000 1.052 421 K CA 0.440 56.440 56.287 -0.479 0.000 0.956 421 K CB -0.045 32.076 32.500 -0.631 0.000 0.735 421 K HN 0.104 nan 8.250 nan 0.000 0.451 422 K N 0.750 120.699 120.400 -0.752 0.000 4.387 422 K HA -0.122 4.198 4.320 0.001 0.000 0.290 422 K C -2.026 173.832 176.600 -1.236 0.000 0.936 422 K CA 0.213 55.590 56.287 -1.518 0.000 0.890 422 K CB -0.769 31.022 32.500 -1.182 0.000 1.617 422 K HN 0.146 nan 8.250 nan 0.000 0.437 423 P HA -0.210 nan 4.420 nan 0.000 0.218 423 P C 1.106 178.115 177.300 -0.485 0.000 1.146 423 P CA 1.685 64.530 63.100 -0.424 0.000 0.813 423 P CB -0.191 31.438 31.700 -0.118 0.000 0.778 424 W N 0.727 121.904 121.300 -0.204 0.000 2.465 424 W HA 0.059 4.720 4.660 0.001 0.000 0.268 424 W C 1.590 178.037 176.519 -0.120 0.000 1.242 424 W CA 0.565 57.778 57.345 -0.219 0.000 1.248 424 W CB -1.327 28.226 29.460 0.154 0.000 1.118 424 W HN -0.144 nan 8.180 nan 0.000 0.587 425 E N 1.136 121.119 120.200 -0.362 0.000 2.127 425 E HA 0.014 4.365 4.350 0.001 0.000 0.191 425 E C 2.282 178.784 176.600 -0.163 0.000 0.964 425 E CA 0.727 57.023 56.400 -0.174 0.000 0.832 425 E CB -0.761 28.791 29.700 -0.246 0.000 0.790 425 E HN 0.400 nan 8.360 nan 0.000 0.465 426 L N 0.277 121.350 121.223 -0.249 0.000 2.131 426 L HA -0.149 4.192 4.340 0.001 0.000 0.210 426 L C 2.396 179.191 176.870 -0.126 0.000 1.092 426 L CA 0.859 55.592 54.840 -0.179 0.000 0.759 426 L CB -0.405 41.538 42.059 -0.194 0.000 0.903 426 L HN 0.048 nan 8.230 nan 0.000 0.435 427 F N 1.072 120.825 119.950 -0.328 0.000 2.269 427 F HA -0.223 4.304 4.527 0.001 0.000 0.301 427 F C 2.339 178.060 175.800 -0.132 0.000 1.082 427 F CA 1.412 59.234 58.000 -0.295 0.000 1.360 427 F CB -0.152 38.480 39.000 -0.614 0.000 1.041 427 F HN -0.076 nan 8.300 nan 0.000 0.512 428 K N 0.052 120.422 120.400 -0.050 0.000 2.044 428 K HA -0.234 4.087 4.320 0.001 0.000 0.210 428 K C 1.561 178.075 176.600 -0.143 0.000 1.049 428 K CA 2.227 58.480 56.287 -0.057 0.000 0.927 428 K CB -0.133 32.369 32.500 0.003 0.000 0.713 428 K HN 0.249 nan 8.250 nan 0.000 0.443 429 K N 0.001 120.317 120.400 -0.140 0.000 2.425 429 K HA 0.070 4.391 4.320 0.001 0.000 0.201 429 K C -0.157 176.355 176.600 -0.147 0.000 1.128 429 K CA 0.227 56.437 56.287 -0.129 0.000 1.000 429 K CB 0.378 32.829 32.500 -0.083 0.000 0.961 429 K HN 0.195 nan 8.250 nan 0.000 0.555 430 E N 1.460 121.563 120.200 -0.162 0.000 3.132 430 E HA 0.215 4.566 4.350 0.001 0.000 0.241 430 E C -2.283 174.229 176.600 -0.146 0.000 1.196 430 E CA -1.871 54.447 56.400 -0.136 0.000 0.869 430 E CB 1.299 30.944 29.700 -0.092 0.000 1.387 430 E HN -0.109 nan 8.360 nan 0.000 0.393 431 P HA -0.190 nan 4.420 nan 0.000 0.218 431 P C 0.863 178.183 177.300 0.033 0.000 1.149 431 P CA 1.087 64.085 63.100 -0.170 0.000 0.817 431 P CB 0.450 31.883 31.700 -0.445 0.000 0.785 432 E N -0.012 120.183 120.200 -0.008 0.000 2.106 432 E HA -0.201 4.150 4.350 0.001 0.000 0.192 432 E C 2.110 178.732 176.600 0.037 0.000 0.984 432 E CA 0.962 57.379 56.400 0.028 0.000 0.806 432 E CB -0.231 29.471 29.700 0.004 0.000 0.750 432 E HN 0.200 nan 8.360 nan 0.000 0.458 433 E N 1.006 121.210 120.200 0.006 0.000 2.152 433 E HA -0.098 4.252 4.350 0.001 0.000 0.192 433 E C 1.766 178.376 176.600 0.017 0.000 0.983 433 E CA 1.182 57.585 56.400 0.006 0.000 0.818 433 E CB -0.139 29.542 29.700 -0.031 0.000 0.758 433 E HN 0.219 nan 8.360 nan 0.000 0.467 434 A N 0.746 123.575 122.820 0.015 0.000 1.898 434 A HA -0.135 4.185 4.320 0.001 0.000 0.216 434 A C 2.242 179.884 177.584 0.095 0.000 1.181 434 A CA 1.521 53.565 52.037 0.011 0.000 0.620 434 A CB -0.425 18.587 19.000 0.020 0.000 0.819 434 A HN 0.185 nan 8.150 nan 0.000 0.442 435 R N -0.658 119.931 120.500 0.148 0.000 2.115 435 R HA -0.047 4.293 4.340 0.001 0.000 0.230 435 R C 2.424 178.836 176.300 0.186 0.000 1.111 435 R CA 1.032 57.238 56.100 0.178 0.000 0.976 435 R CB -0.377 30.027 30.300 0.174 0.000 0.870 435 R HN 0.528 nan 8.270 nan 0.000 0.445 436 A N 0.545 123.459 122.820 0.156 0.000 1.898 436 A HA -0.098 4.223 4.320 0.001 0.000 0.216 436 A C 2.299 180.039 177.584 0.261 0.000 1.181 436 A CA 1.168 53.321 52.037 0.192 0.000 0.620 436 A CB -0.445 18.633 19.000 0.130 0.000 0.819 436 A HN 0.106 nan 8.150 nan 0.000 0.442 437 V N 0.241 120.279 119.914 0.208 0.000 2.343 437 V HA -0.252 3.869 4.120 0.001 0.000 0.247 437 V C 2.556 178.816 176.094 0.276 0.000 1.051 437 V CA 1.948 64.409 62.300 0.267 0.000 1.036 437 V CB -0.692 31.190 31.823 0.097 0.000 0.654 437 V HN 0.576 nan 8.190 nan 0.000 0.451 438 L N -1.415 119.936 121.223 0.214 0.000 2.083 438 L HA -0.210 4.131 4.340 0.001 0.000 0.209 438 L C 2.452 179.420 176.870 0.163 0.000 1.083 438 L CA 1.880 56.831 54.840 0.185 0.000 0.752 438 L CB -0.679 41.486 42.059 0.177 0.000 0.899 438 L HN 0.417 nan 8.230 nan 0.000 0.433 439 Y N 1.078 121.454 120.300 0.127 0.000 2.200 439 Y HA -0.208 4.343 4.550 0.001 0.000 0.290 439 Y C 2.773 178.759 175.900 0.143 0.000 1.137 439 Y CA 1.407 59.570 58.100 0.104 0.000 1.163 439 Y CB -0.106 38.421 38.460 0.112 0.000 0.988 439 Y HN -0.020 nan 8.280 nan 0.000 0.518 440 R N -0.736 119.942 120.500 0.296 0.000 2.105 440 R HA -0.150 4.190 4.340 0.001 0.000 0.239 440 R C 2.130 178.513 176.300 0.138 0.000 1.135 440 R CA 1.664 57.976 56.100 0.353 0.000 0.967 440 R CB -0.749 29.721 30.300 0.284 0.000 0.861 440 R HN 0.285 nan 8.270 nan 0.000 0.442 441 V N 0.506 120.468 119.914 0.080 0.000 2.379 441 V HA -0.172 3.949 4.120 0.001 0.000 0.245 441 V C 2.372 178.425 176.094 -0.068 0.000 1.044 441 V CA 1.342 63.657 62.300 0.025 0.000 1.036 441 V CB -0.208 31.670 31.823 0.092 0.000 0.664 441 V HN 0.097 nan 8.190 nan 0.000 0.453 442 V N 0.218 120.047 119.914 -0.143 0.000 2.295 442 V HA -0.263 3.857 4.120 0.001 0.000 0.246 442 V C 2.566 178.469 176.094 -0.318 0.000 1.049 442 V CA 2.340 64.509 62.300 -0.219 0.000 1.024 442 V CB -0.572 31.092 31.823 -0.264 0.000 0.648 442 V HN 0.632 nan 8.190 nan 0.000 0.447 443 E N 0.909 120.782 120.200 -0.545 0.000 2.110 443 E HA -0.128 4.223 4.350 0.001 0.000 0.193 443 E C 2.159 178.549 176.600 -0.350 0.000 0.988 443 E CA 1.604 57.605 56.400 -0.666 0.000 0.804 443 E CB -0.750 28.196 29.700 -1.257 0.000 0.745 443 E HN 0.478 nan 8.360 nan 0.000 0.458 444 G N 0.518 109.257 108.800 -0.101 0.000 2.418 444 G HA2 -0.214 3.747 3.960 0.001 0.000 0.217 444 G HA3 -0.214 3.747 3.960 0.001 0.000 0.217 444 G C 1.587 176.544 174.900 0.095 0.000 1.158 444 G CA 0.839 46.030 45.100 0.152 0.000 0.771 444 G HN 0.304 nan 8.290 nan 0.000 0.545 445 L N -0.235 120.972 121.223 -0.027 0.000 2.093 445 L HA -0.010 4.330 4.340 0.001 0.000 0.208 445 L C 2.923 179.788 176.870 -0.009 0.000 1.085 445 L CA 1.090 55.922 54.840 -0.013 0.000 0.755 445 L CB -0.347 41.688 42.059 -0.040 0.000 0.904 445 L HN 0.204 nan 8.230 nan 0.000 0.435 446 R N 0.874 121.332 120.500 -0.070 0.000 2.080 446 R HA -0.205 4.135 4.340 0.001 0.000 0.236 446 R C 2.309 178.590 176.300 -0.032 0.000 1.137 446 R CA 1.841 57.893 56.100 -0.079 0.000 0.943 446 R CB -0.337 29.870 30.300 -0.155 0.000 0.846 446 R HN 0.264 nan 8.270 nan 0.000 0.431 447 I N 0.809 121.374 120.570 -0.007 0.000 2.127 447 I HA -0.283 3.887 4.170 0.001 0.000 0.241 447 I C 2.660 178.832 176.117 0.091 0.000 1.075 447 I CA 1.479 62.802 61.300 0.038 0.000 1.334 447 I CB -0.478 37.573 38.000 0.086 0.000 1.040 447 I HN 0.348 nan 8.210 nan 0.000 0.405 448 A N 0.760 123.689 122.820 0.182 0.000 1.908 448 A HA -0.252 4.068 4.320 0.001 0.000 0.218 448 A C 2.493 180.152 177.584 0.124 0.000 1.181 448 A CA 2.341 54.498 52.037 0.200 0.000 0.627 448 A CB -0.934 18.205 19.000 0.231 0.000 0.818 448 A HN 0.559 nan 8.150 nan 0.000 0.445 449 S N -0.077 115.670 115.700 0.078 0.000 2.399 449 S HA -0.112 4.358 4.470 0.001 0.000 0.231 449 S C 1.845 176.474 174.600 0.048 0.000 1.022 449 S CA 1.407 59.642 58.200 0.060 0.000 0.983 449 S CB -0.708 62.508 63.200 0.027 0.000 0.803 449 S HN 0.499 nan 8.310 nan 0.000 0.480 450 I N 1.326 121.909 120.570 0.022 0.000 2.233 450 I HA -0.099 4.072 4.170 0.001 0.000 0.243 450 I C 2.383 178.502 176.117 0.002 0.000 1.093 450 I CA 1.056 62.344 61.300 -0.019 0.000 1.380 450 I CB -0.402 37.561 38.000 -0.061 0.000 1.067 450 I HN 0.275 nan 8.210 nan 0.000 0.413 451 L N 0.248 121.512 121.223 0.069 0.000 2.083 451 L HA -0.202 4.138 4.340 0.001 0.000 0.209 451 L C 2.263 179.311 176.870 0.295 0.000 1.083 451 L CA 1.297 56.252 54.840 0.191 0.000 0.752 451 L CB -0.474 41.718 42.059 0.222 0.000 0.899 451 L HN 0.295 nan 8.230 nan 0.000 0.433 452 L N -1.319 120.039 121.223 0.224 0.000 2.558 452 L HA -0.024 4.317 4.340 0.001 0.000 0.225 452 L C 2.371 179.379 176.870 0.229 0.000 1.128 452 L CA 0.144 55.140 54.840 0.260 0.000 0.868 452 L CB -0.535 41.639 42.059 0.191 0.000 1.006 452 L HN 0.167 nan 8.230 nan 0.000 0.454 453 T N 0.737 115.375 114.554 0.141 0.000 2.684 453 T HA -0.122 4.228 4.350 0.001 0.000 0.267 453 T C -0.493 174.262 174.700 0.093 0.000 1.036 453 T CA 1.517 63.669 62.100 0.086 0.000 1.148 453 T CB -0.865 68.006 68.868 0.005 0.000 0.863 453 T HN 0.219 nan 8.240 nan 0.000 0.436 454 P HA 0.036 nan 4.420 nan 0.000 0.219 454 P C 1.213 178.647 177.300 0.223 0.000 1.146 454 P CA 1.008 64.070 63.100 -0.065 0.000 0.808 454 P CB -0.094 31.279 31.700 -0.545 0.000 0.779 455 A N -1.478 121.615 122.820 0.456 0.000 1.911 455 A HA 0.106 4.427 4.320 0.001 0.000 0.212 455 A C 1.399 179.178 177.584 0.326 0.000 1.189 455 A CA 1.001 53.331 52.037 0.487 0.000 0.639 455 A CB -0.450 18.854 19.000 0.507 0.000 0.839 455 A HN 0.085 nan 8.150 nan 0.000 0.449 456 M N -0.258 119.507 119.600 0.275 0.000 2.693 456 M HA 0.237 4.717 4.480 0.001 0.000 0.224 456 M C -2.381 174.018 176.300 0.165 0.000 1.149 456 M CA -1.579 53.861 55.300 0.235 0.000 0.622 456 M CB 1.618 34.377 32.600 0.265 0.000 1.443 456 M HN -0.026 nan 8.290 nan 0.000 0.431 457 P HA -0.203 nan 4.420 nan 0.000 0.214 457 P C 0.699 178.037 177.300 0.064 0.000 1.169 457 P CA 1.651 64.800 63.100 0.082 0.000 0.908 457 P CB 0.231 31.975 31.700 0.072 0.000 0.791 458 D N -1.045 119.398 120.400 0.071 0.000 2.117 458 D HA -0.127 4.513 4.640 0.001 0.000 0.198 458 D C 1.883 178.195 176.300 0.020 0.000 0.982 458 D CA 1.097 55.123 54.000 0.043 0.000 0.828 458 D CB -0.505 40.325 40.800 0.049 0.000 0.967 458 D HN 0.076 nan 8.370 nan 0.000 0.464 459 K N 0.098 120.520 120.400 0.036 0.000 2.148 459 K HA 0.005 4.325 4.320 0.001 0.000 0.204 459 K C 1.917 178.507 176.600 -0.018 0.000 1.050 459 K CA 0.523 56.788 56.287 -0.037 0.000 0.942 459 K CB -0.184 32.316 32.500 -0.000 0.000 0.724 459 K HN 0.205 nan 8.250 nan 0.000 0.446 460 M N 0.002 119.629 119.600 0.046 0.000 2.254 460 M HA 0.000 4.481 4.480 0.001 0.000 0.265 460 M C 2.194 178.498 176.300 0.006 0.000 1.066 460 M CA 0.953 56.278 55.300 0.040 0.000 1.123 460 M CB -1.052 31.587 32.600 0.065 0.000 1.388 460 M HN 0.029 nan 8.290 nan 0.000 0.425 461 A N -0.102 122.719 122.820 0.002 0.000 1.930 461 A HA -0.174 4.146 4.320 0.001 0.000 0.217 461 A C 2.163 179.733 177.584 -0.023 0.000 1.175 461 A CA 1.773 53.803 52.037 -0.011 0.000 0.627 461 A CB -0.661 18.335 19.000 -0.006 0.000 0.815 461 A HN 0.567 nan 8.150 nan 0.000 0.443 462 E N -0.187 119.991 120.200 -0.036 0.000 2.072 462 E HA -0.168 4.183 4.350 0.001 0.000 0.191 462 E C 1.970 178.535 176.600 -0.058 0.000 0.985 462 E CA 1.091 57.459 56.400 -0.054 0.000 0.801 462 E CB -0.209 29.439 29.700 -0.088 0.000 0.750 462 E HN 0.607 nan 8.360 nan 0.000 0.452 463 L N 0.547 121.734 121.223 -0.059 0.000 2.046 463 L HA -0.197 4.144 4.340 0.001 0.000 0.208 463 L C 2.681 179.531 176.870 -0.034 0.000 1.077 463 L CA 1.372 56.186 54.840 -0.044 0.000 0.747 463 L CB -0.152 41.897 42.059 -0.017 0.000 0.896 463 L HN 0.054 nan 8.230 nan 0.000 0.432 464 R N -0.160 120.322 120.500 -0.030 0.000 2.080 464 R HA -0.236 4.105 4.340 0.001 0.000 0.236 464 R C 2.538 178.816 176.300 -0.035 0.000 1.137 464 R CA 2.140 58.219 56.100 -0.035 0.000 0.943 464 R CB -0.384 29.897 30.300 -0.032 0.000 0.846 464 R HN 0.348 nan 8.270 nan 0.000 0.431 465 R N -0.170 120.312 120.500 -0.030 0.000 2.096 465 R HA -0.110 4.230 4.340 0.001 0.000 0.235 465 R C 1.940 178.226 176.300 -0.023 0.000 1.127 465 R CA 1.608 57.693 56.100 -0.025 0.000 0.968 465 R CB -0.330 29.957 30.300 -0.021 0.000 0.861 465 R HN 0.287 nan 8.270 nan 0.000 0.440 466 A N 0.681 123.486 122.820 -0.026 0.000 2.024 466 A HA -0.072 4.248 4.320 0.001 0.000 0.220 466 A C 1.822 179.390 177.584 -0.027 0.000 1.164 466 A CA 1.066 53.092 52.037 -0.017 0.000 0.643 466 A CB -0.182 18.805 19.000 -0.022 0.000 0.806 466 A HN 0.393 nan 8.150 nan 0.000 0.451 467 L N -1.469 119.729 121.223 -0.042 0.000 2.769 467 L HA 0.279 4.620 4.340 0.001 0.000 0.240 467 L C 1.448 178.280 176.870 -0.064 0.000 1.163 467 L CA 0.314 55.116 54.840 -0.064 0.000 0.962 467 L CB 0.019 42.036 42.059 -0.070 0.000 1.258 467 L HN 0.503 nan 8.230 nan 0.000 0.513 468 G N 0.991 109.764 108.800 -0.046 0.000 2.203 468 G HA2 -0.290 3.671 3.960 0.001 0.000 0.263 468 G HA3 -0.290 3.671 3.960 0.001 0.000 0.263 468 G C 0.205 175.082 174.900 -0.040 0.000 1.012 468 G CA 0.268 45.345 45.100 -0.038 0.000 0.749 468 G HN 0.278 nan 8.290 nan 0.000 0.512 469 L N -0.819 120.376 121.223 -0.047 0.000 2.439 469 L HA 0.438 4.778 4.340 0.001 0.000 0.259 469 L C 1.173 178.019 176.870 -0.041 0.000 1.129 469 L CA -0.933 53.877 54.840 -0.051 0.000 0.803 469 L CB 0.743 42.763 42.059 -0.066 0.000 1.161 469 L HN 0.128 nan 8.230 nan 0.000 0.462 470 K N 1.099 121.474 120.400 -0.042 0.000 2.419 470 K HA -0.023 4.297 4.320 0.001 0.000 0.282 470 K C 0.745 177.324 176.600 -0.036 0.000 1.056 470 K CA 0.153 56.419 56.287 -0.036 0.000 1.035 470 K CB 0.585 33.062 32.500 -0.038 0.000 0.921 470 K HN 0.533 nan 8.250 nan 0.000 0.472 471 E N 2.425 122.607 120.200 -0.030 0.000 2.017 471 E HA -0.201 4.149 4.350 0.001 0.000 0.193 471 E C -0.066 176.517 176.600 -0.029 0.000 0.997 471 E CA 1.200 57.583 56.400 -0.027 0.000 0.804 471 E CB 0.083 29.770 29.700 -0.021 0.000 0.757 471 E HN 0.551 nan 8.360 nan 0.000 0.448 472 E N 0.815 120.998 120.200 -0.029 0.000 2.324 472 E HA 0.092 4.442 4.350 0.001 0.000 0.271 472 E C -0.793 175.782 176.600 -0.042 0.000 1.028 472 E CA -0.282 56.099 56.400 -0.032 0.000 0.890 472 E CB 0.898 30.582 29.700 -0.027 0.000 1.004 472 E HN 0.011 nan 8.360 nan 0.000 0.431 473 V N 1.605 121.487 119.914 -0.053 0.000 3.158 473 V HA 0.742 4.863 4.120 0.001 0.000 0.311 473 V C -0.495 175.546 176.094 -0.088 0.000 1.181 473 V CA -1.149 61.109 62.300 -0.068 0.000 1.054 473 V CB 2.096 33.875 31.823 -0.073 0.000 1.085 473 V HN 0.636 nan 8.190 nan 0.000 0.446 474 R N 0.312 120.750 120.500 -0.102 0.000 2.744 474 R HA 0.531 4.872 4.340 0.001 0.000 0.279 474 R C 0.311 176.512 176.300 -0.164 0.000 0.977 474 R CA -0.842 55.181 56.100 -0.128 0.000 0.906 474 R CB 2.118 32.360 30.300 -0.098 0.000 1.197 474 R HN 0.744 nan 8.270 nan 0.000 0.463 475 L N 2.954 124.033 121.223 -0.239 0.000 2.127 475 L HA -0.193 4.147 4.340 0.001 0.000 0.211 475 L C 2.099 178.856 176.870 -0.188 0.000 1.089 475 L CA 2.045 56.709 54.840 -0.294 0.000 0.757 475 L CB -0.436 41.334 42.059 -0.483 0.000 0.899 475 L HN 0.787 nan 8.230 nan 0.000 0.434 476 E N -0.998 119.117 120.200 -0.143 0.000 2.204 476 E HA -0.265 4.085 4.350 0.001 0.000 0.195 476 E C 1.563 178.119 176.600 -0.073 0.000 0.990 476 E CA 1.482 57.826 56.400 -0.092 0.000 0.821 476 E CB -0.541 29.115 29.700 -0.073 0.000 0.750 476 E HN 0.678 nan 8.360 nan 0.000 0.477 477 E N 0.673 120.824 120.200 -0.081 0.000 2.338 477 E HA -0.051 4.300 4.350 0.001 0.000 0.197 477 E C 1.748 178.307 176.600 -0.067 0.000 1.007 477 E CA 0.673 57.032 56.400 -0.069 0.000 0.849 477 E CB 0.047 29.703 29.700 -0.074 0.000 0.774 477 E HN 0.450 nan 8.360 nan 0.000 0.506 478 A N 1.000 123.775 122.820 -0.074 0.000 2.251 478 A HA -0.049 4.272 4.320 0.001 0.000 0.209 478 A C 1.398 178.964 177.584 -0.030 0.000 1.187 478 A CA 0.314 52.317 52.037 -0.057 0.000 0.823 478 A CB 0.045 19.003 19.000 -0.069 0.000 0.846 478 A HN 0.094 nan 8.150 nan 0.000 0.486 479 E N -0.526 119.659 120.200 -0.025 0.000 2.476 479 E HA 0.135 4.486 4.350 0.001 0.000 0.196 479 E C -0.092 176.528 176.600 0.032 0.000 1.029 479 E CA -0.077 56.323 56.400 -0.000 0.000 0.896 479 E CB 0.454 30.146 29.700 -0.013 0.000 1.012 479 E HN 0.381 nan 8.360 nan 0.000 0.475 480 R N 0.657 121.179 120.500 0.037 0.000 2.686 480 R HA 0.267 4.607 4.340 0.001 0.000 0.286 480 R C -1.229 175.137 176.300 0.110 0.000 0.969 480 R CA -0.712 55.431 56.100 0.073 0.000 0.898 480 R CB 1.968 32.288 30.300 0.033 0.000 1.183 480 R HN 0.071 nan 8.270 nan 0.000 0.456 481 W N 2.529 123.839 121.300 0.016 0.000 2.438 481 W HA 0.362 5.023 4.660 0.001 0.000 0.324 481 W C 0.193 176.757 176.519 0.076 0.000 1.119 481 W CA 0.357 57.728 57.345 0.044 0.000 1.221 481 W CB 1.521 31.008 29.460 0.044 0.000 1.253 481 W HN 0.850 nan 8.180 nan 0.000 0.555 482 G N 4.226 112.614 108.800 -0.687 0.000 2.140 482 G HA2 -0.276 3.685 3.960 0.001 0.000 0.211 482 G HA3 -0.276 3.685 3.960 0.001 0.000 0.211 482 G C 0.354 175.203 174.900 -0.086 0.000 1.013 482 G CA 0.134 45.093 45.100 -0.234 0.000 0.705 482 G HN 0.553 nan 8.290 nan 0.000 0.508 483 L N -0.223 120.903 121.223 -0.161 0.000 2.375 483 L HA 0.378 4.719 4.340 0.001 0.000 0.215 483 L C 2.022 178.856 176.870 -0.060 0.000 1.108 483 L CA 0.709 55.496 54.840 -0.087 0.000 0.830 483 L CB -0.203 41.796 42.059 -0.099 0.000 0.959 483 L HN 0.510 nan 8.230 nan 0.000 0.457 484 A N 1.415 124.182 122.820 -0.088 0.000 2.491 484 A HA 0.135 4.456 4.320 0.001 0.000 0.261 484 A C 0.156 177.798 177.584 0.096 0.000 1.101 484 A CA -0.011 51.990 52.037 -0.060 0.000 0.772 484 A CB -0.194 18.662 19.000 -0.240 0.000 1.043 484 A HN 0.288 nan 8.150 nan 0.000 0.501 485 E N 3.761 123.987 120.200 0.044 0.000 2.313 485 E HA 0.258 4.609 4.350 0.001 0.000 0.272 485 E C -2.256 174.386 176.600 0.070 0.000 1.038 485 E CA -1.961 54.472 56.400 0.054 0.000 0.863 485 E CB 0.904 30.613 29.700 0.015 0.000 1.060 485 E HN 0.484 nan 8.360 nan 0.000 0.402 486 P HA 0.051 nan 4.420 nan 0.000 0.256 486 P C -0.921 176.396 177.300 0.028 0.000 1.688 486 P CA 0.377 63.511 63.100 0.057 0.000 1.162 486 P CB 0.107 31.826 31.700 0.032 0.000 1.870 487 R N 3.081 123.592 120.500 0.018 0.000 2.854 487 R HA 0.566 4.907 4.340 0.001 0.000 0.271 487 R C -2.528 173.765 176.300 -0.013 0.000 0.994 487 R CA -2.537 53.565 56.100 0.003 0.000 0.945 487 R CB 1.705 32.004 30.300 -0.002 0.000 1.194 487 R HN 0.209 nan 8.270 nan 0.000 0.476 488 P HA 0.110 nan 4.420 nan 0.000 0.271 488 P C -0.428 176.847 177.300 -0.041 0.000 1.218 488 P CA -0.045 63.040 63.100 -0.025 0.000 0.780 488 P CB 0.608 32.311 31.700 0.006 0.000 0.901 489 I N -0.536 119.980 120.570 -0.090 0.000 2.566 489 I HA 0.561 4.732 4.170 0.001 0.000 0.303 489 I C -2.545 173.579 176.117 0.011 0.000 0.983 489 I CA -3.406 57.842 61.300 -0.087 0.000 1.235 489 I CB 0.686 38.561 38.000 -0.208 0.000 1.386 489 I HN 0.053 nan 8.210 nan 0.000 0.494 490 P HA 0.029 nan 4.420 nan 0.000 0.264 490 P C 0.326 177.763 177.300 0.227 0.000 1.183 490 P CA 0.008 63.167 63.100 0.098 0.000 0.763 490 P CB 0.493 32.228 31.700 0.058 0.000 0.807 491 E N 1.829 122.143 120.200 0.190 0.000 2.130 491 E HA -0.178 4.173 4.350 0.001 0.000 0.196 491 E C 0.000 176.642 176.600 0.070 0.000 0.998 491 E CA 1.575 58.069 56.400 0.157 0.000 0.806 491 E CB 0.187 29.907 29.700 0.033 0.000 0.738 491 E HN 0.648 nan 8.360 nan 0.000 0.459 492 E N -1.441 118.797 120.200 0.064 0.000 2.356 492 E HA 0.655 5.005 4.350 0.001 0.000 0.275 492 E C -1.350 175.275 176.600 0.041 0.000 0.904 492 E CA -0.590 55.827 56.400 0.028 0.000 0.757 492 E CB 2.537 32.227 29.700 -0.017 0.000 1.232 492 E HN 0.044 nan 8.360 nan 0.000 0.442 493 A N 2.537 125.377 122.820 0.033 0.000 2.459 493 A HA 0.615 4.936 4.320 0.001 0.000 0.296 493 A C -2.528 175.057 177.584 0.001 0.000 1.039 493 A CA -1.215 50.832 52.037 0.018 0.000 0.698 493 A CB 0.720 19.736 19.000 0.026 0.000 1.261 493 A HN 0.476 nan 8.150 nan 0.000 0.405 494 P HA 0.264 nan 4.420 nan 0.000 0.271 494 P C -0.152 177.135 177.300 -0.023 0.000 1.233 494 P CA -0.179 62.911 63.100 -0.016 0.000 0.789 494 P CB 0.440 32.127 31.700 -0.022 0.000 0.951 495 V N 2.796 122.702 119.914 -0.014 0.000 2.485 495 V HA -0.110 4.010 4.120 0.001 0.000 0.287 495 V C 1.996 178.059 176.094 -0.051 0.000 1.022 495 V CA 0.041 62.335 62.300 -0.009 0.000 1.067 495 V CB 0.105 31.942 31.823 0.022 0.000 0.967 495 V HN 0.543 nan 8.190 nan 0.000 0.479 496 L N 5.806 126.967 121.223 -0.103 0.000 1.989 496 L HA -0.007 4.334 4.340 0.001 0.000 0.211 496 L C 0.786 177.363 176.870 -0.489 0.000 1.071 496 L CA 2.032 56.685 54.840 -0.312 0.000 0.749 496 L CB -0.160 41.702 42.059 -0.329 0.000 0.890 496 L HN 0.565 nan 8.230 nan 0.000 0.431 497 F N 1.246 121.220 119.950 0.040 0.000 2.564 497 F HA 0.376 4.903 4.527 0.001 0.000 0.361 497 F C -1.964 173.911 175.800 0.125 0.000 1.161 497 F CA -2.143 55.908 58.000 0.086 0.000 1.198 497 F CB 0.325 39.249 39.000 -0.127 0.000 1.424 497 F HN 0.024 nan 8.300 nan 0.000 0.517 498 P HA -0.018 nan 4.420 nan 0.000 0.269 498 P C -0.416 177.064 177.300 0.300 0.000 1.215 498 P CA -0.405 62.824 63.100 0.215 0.000 0.780 498 P CB 1.211 32.991 31.700 0.133 0.000 0.898 499 K N 2.074 122.594 120.400 0.199 0.000 2.382 499 K HA 0.064 4.385 4.320 0.001 0.000 0.275 499 K C 0.231 176.921 176.600 0.150 0.000 1.009 499 K CA -0.049 56.361 56.287 0.205 0.000 0.970 499 K CB 0.358 32.929 32.500 0.118 0.000 0.934 499 K HN 0.285 nan 8.250 nan 0.000 0.479 500 K N 0.000 120.485 120.400 0.142 0.000 2.780 500 K HA 0.000 4.321 4.320 0.001 0.000 0.191 500 K CA 0.000 56.267 56.287 -0.033 0.000 0.838 500 K CB 0.000 32.368 32.500 -0.220 0.000 1.064 500 K HN 0.000 nan 8.250 nan 0.000 0.543