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 1woy_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 0.000 176.245 176.300 -0.092 0.000 1.140 1 M CA 0.000 55.256 55.300 -0.074 0.000 0.988 1 M CB 0.000 32.568 32.600 -0.053 0.000 1.302 2 E N 2.526 122.674 120.200 -0.088 0.000 2.216 2 E HA 0.144 4.494 4.350 -0.000 0.000 0.192 2 E C -0.011 176.511 176.600 -0.129 0.000 0.988 2 E CA 0.646 57.003 56.400 -0.072 0.000 0.834 2 E CB 0.166 29.840 29.700 -0.045 0.000 0.772 2 E HN 0.552 nan 8.360 nan 0.000 0.479 3 K N 1.758 122.032 120.400 -0.211 0.000 2.250 3 K HA 0.294 4.614 4.320 -0.000 0.000 0.285 3 K C -0.647 175.863 176.600 -0.151 0.000 1.097 3 K CA -0.105 55.954 56.287 -0.379 0.000 0.913 3 K CB 1.395 33.416 32.500 -0.798 0.000 1.179 3 K HN -0.182 nan 8.250 nan 0.000 0.462 4 V N 4.309 124.187 119.914 -0.061 0.000 2.656 4 V HA 0.452 4.572 4.120 -0.000 0.000 0.307 4 V C -1.058 175.142 176.094 0.176 0.000 1.051 4 V CA -1.008 61.277 62.300 -0.025 0.000 0.893 4 V CB 1.586 33.116 31.823 -0.488 0.000 0.999 4 V HN 0.556 nan 8.190 nan 0.000 0.426 5 F N 5.197 125.238 119.950 0.151 0.000 2.539 5 F HA 0.715 5.242 4.527 -0.000 0.000 0.318 5 F C -1.606 174.276 175.800 0.136 0.000 1.135 5 F CA -0.847 57.074 58.000 -0.133 0.000 0.915 5 F CB 1.697 40.371 39.000 -0.543 0.000 1.176 5 F HN 0.516 nan 8.300 nan 0.000 0.440 6 Y N 6.816 126.671 120.300 -0.742 0.000 2.346 6 Y HA 0.693 5.243 4.550 -0.000 0.000 0.332 6 Y C -2.059 173.391 175.900 -0.752 0.000 0.985 6 Y CA -1.538 56.309 58.100 -0.423 0.000 1.112 6 Y CB 1.378 39.862 38.460 0.041 0.000 1.170 6 Y HN 0.561 nan 8.280 nan 0.000 0.447 7 V N 6.604 126.097 119.914 -0.703 0.000 2.789 7 V HA 0.834 4.954 4.120 -0.000 0.000 0.311 7 V C -0.996 174.913 176.094 -0.309 0.000 1.073 7 V CA 0.093 62.019 62.300 -0.624 0.000 0.921 7 V CB 2.212 33.729 31.823 -0.510 0.000 1.009 7 V HN 0.988 nan 8.190 nan 0.000 0.426 8 T N 1.877 116.288 114.554 -0.239 0.000 2.907 8 T HA 0.794 5.144 4.350 -0.000 0.000 0.292 8 T C -0.205 174.527 174.700 0.053 0.000 1.043 8 T CA -0.028 62.081 62.100 0.015 0.000 1.003 8 T CB 1.808 70.735 68.868 0.098 0.000 1.084 8 T HN 1.084 nan 8.240 nan 0.000 0.483 9 T N -0.504 114.114 114.554 0.108 0.000 2.949 9 T HA 0.774 5.124 4.350 -0.000 0.000 0.287 9 T C -2.912 171.762 174.700 -0.043 0.000 1.034 9 T CA -2.223 59.896 62.100 0.032 0.000 1.018 9 T CB 0.925 69.819 68.868 0.043 0.000 1.135 9 T HN 0.473 nan 8.240 nan 0.000 0.532 10 P HA 0.346 nan 4.420 nan 0.000 0.274 10 P C -0.353 176.520 177.300 -0.712 0.000 1.246 10 P CA -0.753 62.201 63.100 -0.244 0.000 0.795 10 P CB 0.174 31.770 31.700 -0.173 0.000 1.006 11 I N -1.171 119.046 120.570 -0.589 0.000 2.396 11 I HA 0.410 4.580 4.170 -0.000 0.000 0.292 11 I C -0.585 175.135 176.117 -0.662 0.000 0.999 11 I CA -0.723 60.152 61.300 -0.708 0.000 1.310 11 I CB 0.289 37.953 38.000 -0.561 0.000 1.404 11 I HN 0.192 nan 8.210 nan 0.000 0.496 12 Y N 3.849 123.914 120.300 -0.391 0.000 2.403 12 Y HA 0.291 4.841 4.550 -0.000 0.000 0.323 12 Y C 0.008 175.738 175.900 -0.284 0.000 1.226 12 Y CA -0.793 57.102 58.100 -0.342 0.000 1.235 12 Y CB 0.356 38.422 38.460 -0.657 0.000 1.248 12 Y HN 0.499 nan 8.280 nan 0.000 0.489 13 Y N 1.633 121.961 120.300 0.046 0.000 2.804 13 Y HA -0.055 4.495 4.550 -0.000 0.000 0.338 13 Y C 1.327 177.276 175.900 0.081 0.000 1.252 13 Y CA -0.070 58.066 58.100 0.061 0.000 1.576 13 Y CB 0.258 38.808 38.460 0.149 0.000 1.223 13 Y HN 0.601 nan 8.280 nan 0.000 0.536 14 V N 5.940 125.584 119.914 -0.450 0.000 2.469 14 V HA -0.305 3.815 4.120 -0.000 0.000 0.251 14 V C 1.724 177.633 176.094 -0.307 0.000 1.064 14 V CA 2.662 64.778 62.300 -0.308 0.000 1.066 14 V CB -0.457 31.223 31.823 -0.237 0.000 0.667 14 V HN 0.941 nan 8.190 nan 0.000 0.461 15 N N -0.605 117.653 118.700 -0.736 0.000 2.268 15 N HA 0.183 4.923 4.740 -0.000 0.000 0.204 15 N C 0.449 175.945 175.510 -0.023 0.000 1.124 15 N CA 0.348 53.200 53.050 -0.330 0.000 0.838 15 N CB 0.134 38.563 38.487 -0.097 0.000 0.994 15 N HN 0.522 nan 8.380 nan 0.000 0.489 16 A N 1.148 124.047 122.820 0.131 0.000 2.388 16 A HA 0.145 4.465 4.320 -0.000 0.000 0.257 16 A C 0.077 177.648 177.584 -0.022 0.000 1.095 16 A CA -0.218 51.992 52.037 0.288 0.000 0.791 16 A CB 0.551 19.849 19.000 0.497 0.000 1.029 16 A HN 0.397 nan 8.150 nan 0.000 0.489 17 E N 2.484 122.681 120.200 -0.005 0.000 2.299 17 E HA 0.352 4.702 4.350 -0.000 0.000 0.272 17 E C -2.449 174.033 176.600 -0.197 0.000 1.043 17 E CA -1.634 54.673 56.400 -0.155 0.000 0.895 17 E CB 0.262 29.942 29.700 -0.033 0.000 1.011 17 E HN 0.354 nan 8.360 nan 0.000 0.432 18 P HA 0.045 nan 4.420 nan 0.000 0.264 18 P C -0.947 176.510 177.300 0.262 0.000 1.193 18 P CA 0.566 63.480 63.100 -0.308 0.000 0.763 18 P CB 0.280 31.586 31.700 -0.657 0.000 0.810 19 H N 1.108 120.495 119.070 0.529 0.000 3.024 19 H HA 0.382 4.938 4.556 -0.000 0.000 0.305 19 H C 0.622 176.054 175.328 0.173 0.000 1.506 19 H CA -0.918 55.300 56.048 0.283 0.000 1.324 19 H CB 0.420 30.254 29.762 0.120 0.000 1.925 19 H HN 0.123 nan 8.280 nan 0.000 0.661 20 L N 0.250 121.666 121.223 0.321 0.000 2.043 20 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 20 L C 2.458 179.481 176.870 0.256 0.000 1.075 20 L CA 2.056 57.003 54.840 0.178 0.000 0.752 20 L CB -0.928 41.162 42.059 0.053 0.000 0.891 20 L HN 0.959 nan 8.230 nan 0.000 0.432 21 G N -1.307 107.682 108.800 0.314 0.000 2.446 21 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 21 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 21 G C 1.288 176.331 174.900 0.239 0.000 1.168 21 G CA 0.714 45.954 45.100 0.233 0.000 0.771 21 G HN 0.462 nan 8.290 nan 0.000 0.551 22 H N 0.942 120.162 119.070 0.251 0.000 2.321 22 H HA 0.024 4.580 4.556 -0.000 0.000 0.300 22 H C 2.994 178.501 175.328 0.298 0.000 1.087 22 H CA 1.246 57.297 56.048 0.004 0.000 1.319 22 H CB -0.820 28.872 29.762 -0.118 0.000 1.379 22 H HN 0.386 nan 8.280 nan 0.000 0.501 23 A N 1.231 124.356 122.820 0.508 0.000 1.883 23 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 23 A C 2.377 180.127 177.584 0.277 0.000 1.186 23 A CA 1.814 54.105 52.037 0.424 0.000 0.624 23 A CB -1.180 17.959 19.000 0.233 0.000 0.822 23 A HN 0.458 nan 8.150 nan 0.000 0.444 24 Y N 1.213 121.605 120.300 0.153 0.000 2.070 24 Y HA -0.214 4.336 4.550 -0.000 0.000 0.280 24 Y C 2.712 178.684 175.900 0.120 0.000 1.148 24 Y CA 2.472 60.635 58.100 0.105 0.000 1.125 24 Y CB -0.931 37.582 38.460 0.089 0.000 0.975 24 Y HN 0.307 nan 8.280 nan 0.000 0.492 25 T N -0.497 114.129 114.554 0.120 0.000 2.720 25 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 25 T C 1.734 176.426 174.700 -0.013 0.000 1.037 25 T CA 2.153 64.286 62.100 0.054 0.000 1.144 25 T CB -0.644 68.396 68.868 0.288 0.000 0.864 25 T HN 0.445 nan 8.240 nan 0.000 0.444 26 T N 1.623 116.197 114.554 0.033 0.000 2.821 26 T HA -0.033 4.317 4.350 -0.000 0.000 0.267 26 T C 2.172 176.813 174.700 -0.099 0.000 1.046 26 T CA 0.663 62.708 62.100 -0.091 0.000 1.139 26 T CB -0.433 68.120 68.868 -0.527 0.000 0.871 26 T HN 0.150 nan 8.240 nan 0.000 0.454 27 V N 1.272 121.127 119.914 -0.099 0.000 2.358 27 V HA -0.133 3.986 4.120 -0.000 0.000 0.246 27 V C 2.658 178.628 176.094 -0.208 0.000 1.047 27 V CA 1.243 63.492 62.300 -0.086 0.000 1.035 27 V CB -0.597 31.208 31.823 -0.031 0.000 0.658 27 V HN 0.313 nan 8.190 nan 0.000 0.452 28 V N 0.340 120.020 119.914 -0.390 0.000 2.343 28 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 28 V C 2.689 178.522 176.094 -0.435 0.000 1.051 28 V CA 1.983 63.944 62.300 -0.566 0.000 1.036 28 V CB -1.131 30.272 31.823 -0.699 0.000 0.654 28 V HN 0.563 nan 8.190 nan 0.000 0.451 29 A N 0.079 122.678 122.820 -0.368 0.000 1.902 29 A HA -0.303 4.017 4.320 -0.000 0.000 0.217 29 A C 2.050 179.161 177.584 -0.788 0.000 1.181 29 A CA 2.197 53.920 52.037 -0.524 0.000 0.623 29 A CB -0.711 17.974 19.000 -0.526 0.000 0.818 29 A HN 0.593 nan 8.150 nan 0.000 0.443 30 D N -1.482 118.594 120.400 -0.540 0.000 2.117 30 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 30 D C 1.630 177.832 176.300 -0.162 0.000 0.987 30 D CA 1.489 55.329 54.000 -0.265 0.000 0.829 30 D CB -0.249 40.615 40.800 0.106 0.000 0.961 30 D HN 0.394 nan 8.370 nan 0.000 0.460 31 F N 0.601 120.392 119.950 -0.265 0.000 2.102 31 F HA -0.105 4.422 4.527 -0.000 0.000 0.298 31 F C 1.947 177.646 175.800 -0.168 0.000 1.105 31 F CA 1.274 59.149 58.000 -0.208 0.000 1.239 31 F CB -0.320 38.467 39.000 -0.355 0.000 0.991 31 F HN -0.011 nan 8.300 nan 0.000 0.474 32 L N -0.028 121.104 121.223 -0.151 0.000 2.012 32 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 32 L C 2.813 179.550 176.870 -0.221 0.000 1.073 32 L CA 1.368 56.128 54.840 -0.134 0.000 0.748 32 L CB -1.137 40.957 42.059 0.058 0.000 0.891 32 L HN 0.290 nan 8.230 nan 0.000 0.431 33 A N 0.050 122.765 122.820 -0.174 0.000 1.877 33 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 33 A C 2.345 179.881 177.584 -0.079 0.000 1.186 33 A CA 1.490 53.496 52.037 -0.052 0.000 0.620 33 A CB -0.467 18.487 19.000 -0.076 0.000 0.822 33 A HN 0.342 nan 8.150 nan 0.000 0.443 34 R N -1.562 118.860 120.500 -0.130 0.000 2.096 34 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 34 R C 2.173 178.337 176.300 -0.228 0.000 1.127 34 R CA 1.357 57.377 56.100 -0.134 0.000 0.968 34 R CB -0.400 29.829 30.300 -0.118 0.000 0.861 34 R HN 0.862 nan 8.270 nan 0.000 0.440 35 W N 1.753 122.727 121.300 -0.543 0.000 2.355 35 W HA -0.190 4.470 4.660 -0.000 0.000 0.309 35 W C 1.327 177.504 176.519 -0.570 0.000 1.206 35 W CA 1.695 58.665 57.345 -0.624 0.000 1.284 35 W CB -0.358 28.591 29.460 -0.851 0.000 1.145 35 W HN 0.198 nan 8.180 nan 0.000 0.502 36 H N -0.266 118.550 119.070 -0.423 0.000 2.389 36 H HA -0.023 4.533 4.556 -0.000 0.000 0.299 36 H C 2.443 177.658 175.328 -0.188 0.000 1.081 36 H CA 2.314 58.051 56.048 -0.519 0.000 1.345 36 H CB -0.192 28.956 29.762 -1.023 0.000 1.393 36 H HN 0.023 nan 8.280 nan 0.000 0.520 37 R N -0.201 120.270 120.500 -0.048 0.000 2.081 37 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 37 R C 1.990 178.237 176.300 -0.088 0.000 1.131 37 R CA 1.072 57.174 56.100 0.004 0.000 0.960 37 R CB -0.411 29.894 30.300 0.008 0.000 0.856 37 R HN 0.188 nan 8.270 nan 0.000 0.436 38 L N 1.340 122.432 121.223 -0.220 0.000 2.131 38 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 38 L C 1.238 177.918 176.870 -0.317 0.000 1.092 38 L CA 1.765 56.430 54.840 -0.291 0.000 0.759 38 L CB -0.273 41.527 42.059 -0.432 0.000 0.903 38 L HN 0.018 nan 8.230 nan 0.000 0.435 39 D N -0.732 119.452 120.400 -0.359 0.000 2.370 39 D HA 0.180 4.820 4.640 -0.000 0.000 0.230 39 D C 1.389 177.671 176.300 -0.030 0.000 1.143 39 D CA 0.664 54.519 54.000 -0.241 0.000 0.834 39 D CB -0.305 40.320 40.800 -0.293 0.000 0.944 39 D HN 0.390 nan 8.370 nan 0.000 0.504 40 G N 0.118 108.902 108.800 -0.027 0.000 2.143 40 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.248 40 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.248 40 G C -0.042 174.865 174.900 0.011 0.000 0.991 40 G CA 0.041 45.128 45.100 -0.023 0.000 0.689 40 G HN 0.340 nan 8.290 nan 0.000 0.522 41 Y N 0.140 120.435 120.300 -0.008 0.000 2.309 41 Y HA 0.470 5.020 4.550 -0.000 0.000 0.327 41 Y C 1.194 177.158 175.900 0.106 0.000 1.172 41 Y CA -0.644 57.493 58.100 0.063 0.000 1.280 41 Y CB 0.725 39.268 38.460 0.138 0.000 1.234 41 Y HN 0.238 nan 8.280 nan 0.000 0.512 42 R N 2.333 122.981 120.500 0.246 0.000 2.296 42 R HA 0.244 4.584 4.340 -0.000 0.000 0.323 42 R C -0.452 176.139 176.300 0.485 0.000 1.067 42 R CA 0.020 56.287 56.100 0.278 0.000 0.946 42 R CB 0.171 30.576 30.300 0.174 0.000 0.991 42 R HN 0.821 nan 8.270 nan 0.000 0.448 43 T N 1.927 116.757 114.554 0.459 0.000 2.907 43 T HA 0.498 4.848 4.350 -0.000 0.000 0.292 43 T C -1.256 173.608 174.700 0.273 0.000 1.043 43 T CA -0.722 61.658 62.100 0.466 0.000 1.003 43 T CB 1.275 70.385 68.868 0.405 0.000 1.084 43 T HN 0.449 nan 8.240 nan 0.000 0.483 44 F N 4.316 124.192 119.950 -0.124 0.000 2.536 44 F HA 0.697 5.224 4.527 -0.000 0.000 0.322 44 F C -1.863 174.015 175.800 0.130 0.000 1.144 44 F CA -1.554 56.263 58.000 -0.305 0.000 0.924 44 F CB 1.683 39.941 39.000 -1.236 0.000 1.181 44 F HN 0.665 nan 8.300 nan 0.000 0.438 45 F N 8.718 128.435 119.950 -0.388 0.000 2.403 45 F HA 0.617 5.144 4.527 -0.000 0.000 0.355 45 F C -2.017 173.607 175.800 -0.294 0.000 1.119 45 F CA -1.751 56.134 58.000 -0.192 0.000 1.007 45 F CB 1.058 40.008 39.000 -0.083 0.000 1.194 45 F HN 0.384 nan 8.300 nan 0.000 0.443 46 L N 5.526 126.867 121.223 0.196 0.000 2.325 46 L HA 0.785 5.125 4.340 -0.000 0.000 0.278 46 L C -0.419 176.392 176.870 -0.097 0.000 1.023 46 L CA 0.219 55.070 54.840 0.018 0.000 0.811 46 L CB 1.918 44.228 42.059 0.419 0.000 1.249 46 L HN 0.758 nan 8.230 nan 0.000 0.431 47 T N 2.298 116.636 114.554 -0.360 0.000 2.787 47 T HA 0.918 5.267 4.350 -0.000 0.000 0.297 47 T C -0.708 173.534 174.700 -0.764 0.000 1.221 47 T CA -0.019 61.788 62.100 -0.489 0.000 1.006 47 T CB 1.451 69.965 68.868 -0.589 0.000 1.328 47 T HN 1.078 nan 8.240 nan 0.000 0.509 48 G N 0.519 108.749 108.800 -0.950 0.000 2.341 48 G HA2 0.535 4.495 3.960 -0.000 0.000 0.299 48 G HA3 0.535 4.495 3.960 -0.000 0.000 0.299 48 G C -1.136 173.220 174.900 -0.906 0.000 1.274 48 G CA 0.065 44.430 45.100 -1.224 0.000 0.853 48 G HN 1.125 nan 8.290 nan 0.000 0.493 49 T N -1.464 112.723 114.554 -0.612 0.000 2.893 49 T HA 0.606 4.955 4.350 -0.000 0.000 0.293 49 T C -1.649 172.836 174.700 -0.359 0.000 1.027 49 T CA -0.657 61.187 62.100 -0.427 0.000 0.988 49 T CB 2.476 71.222 68.868 -0.204 0.000 1.043 49 T HN 0.454 nan 8.240 nan 0.000 0.461 50 D N 1.135 121.353 120.400 -0.305 0.000 2.380 50 D HA 0.232 4.872 4.640 -0.000 0.000 0.230 50 D C 0.601 176.795 176.300 -0.176 0.000 1.154 50 D CA -0.431 53.420 54.000 -0.247 0.000 0.859 50 D CB 0.904 41.611 40.800 -0.156 0.000 1.045 50 D HN 0.684 nan 8.370 nan 0.000 0.495 51 E N 2.208 122.254 120.200 -0.256 0.000 2.489 51 E HA 0.055 4.405 4.350 -0.000 0.000 0.204 51 E C 0.035 176.638 176.600 0.005 0.000 1.006 51 E CA -0.149 56.160 56.400 -0.150 0.000 0.936 51 E CB 0.613 30.200 29.700 -0.189 0.000 1.002 51 E HN 0.598 nan 8.360 nan 0.000 0.488 52 H N -0.123 118.944 119.070 -0.005 0.000 2.530 52 H HA 0.607 5.163 4.556 -0.000 0.000 0.342 52 H C 0.579 175.975 175.328 0.113 0.000 1.312 52 H CA -0.147 55.821 56.048 -0.132 0.000 1.376 52 H CB 1.516 31.048 29.762 -0.383 0.000 1.692 52 H HN 0.122 nan 8.280 nan 0.000 0.622 53 G N -0.188 108.789 108.800 0.296 0.000 2.479 53 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.686 53 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.686 53 G C 0.377 175.482 174.900 0.342 0.000 1.295 53 G CA -0.020 45.227 45.100 0.245 0.000 0.922 53 G HN 0.659 nan 8.290 nan 0.000 0.582 54 E N -0.903 119.450 120.200 0.255 0.000 2.047 54 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 54 E C 2.536 179.303 176.600 0.278 0.000 0.987 54 E CA 1.987 58.538 56.400 0.251 0.000 0.799 54 E CB -0.155 29.662 29.700 0.195 0.000 0.752 54 E HN 0.564 nan 8.360 nan 0.000 0.449 55 T N 0.688 115.386 114.554 0.241 0.000 2.652 55 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 55 T C 1.873 176.762 174.700 0.315 0.000 1.039 55 T CA 1.317 63.550 62.100 0.221 0.000 1.153 55 T CB -0.445 68.492 68.868 0.114 0.000 0.863 55 T HN 0.097 nan 8.240 nan 0.000 0.428 56 V N 0.325 120.506 119.914 0.446 0.000 2.343 56 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 56 V C 2.068 178.276 176.094 0.190 0.000 1.051 56 V CA 1.618 64.173 62.300 0.426 0.000 1.036 56 V CB -0.636 31.476 31.823 0.482 0.000 0.654 56 V HN 0.580 nan 8.190 nan 0.000 0.451 57 Y N 1.116 121.463 120.300 0.078 0.000 2.165 57 Y HA -0.198 4.352 4.550 -0.000 0.000 0.286 57 Y C 2.713 178.531 175.900 -0.137 0.000 1.155 57 Y CA 2.194 60.231 58.100 -0.105 0.000 1.164 57 Y CB -0.279 38.202 38.460 0.035 0.000 0.978 57 Y HN 0.152 nan 8.280 nan 0.000 0.513 58 R N -0.285 120.228 120.500 0.022 0.000 2.083 58 R HA -0.201 4.139 4.340 -0.000 0.000 0.237 58 R C 2.443 178.626 176.300 -0.194 0.000 1.137 58 R CA 1.227 57.283 56.100 -0.072 0.000 0.951 58 R CB -0.715 29.610 30.300 0.042 0.000 0.851 58 R HN 0.456 nan 8.270 nan 0.000 0.434 59 A N 1.003 123.727 122.820 -0.160 0.000 1.865 59 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 59 A C 2.365 179.466 177.584 -0.805 0.000 1.191 59 A CA 1.939 53.804 52.037 -0.286 0.000 0.623 59 A CB -0.737 18.255 19.000 -0.013 0.000 0.826 59 A HN 0.440 nan 8.150 nan 0.000 0.444 60 A N -0.784 121.358 122.820 -1.130 0.000 1.908 60 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 60 A C 2.147 179.293 177.584 -0.730 0.000 1.181 60 A CA 1.706 52.962 52.037 -1.302 0.000 0.627 60 A CB -0.608 17.840 19.000 -0.921 0.000 0.818 60 A HN 0.679 nan 8.150 nan 0.000 0.445 61 Q N -0.709 118.716 119.800 -0.625 0.000 2.050 61 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 61 Q C 2.473 178.285 176.000 -0.314 0.000 0.980 61 Q CA 1.355 56.883 55.803 -0.459 0.000 0.840 61 Q CB -0.426 28.039 28.738 -0.454 0.000 0.898 61 Q HN 0.676 nan 8.270 nan 0.000 0.424 62 A N 1.401 124.049 122.820 -0.286 0.000 1.940 62 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 62 A C 2.240 179.721 177.584 -0.172 0.000 1.176 62 A CA 1.681 53.607 52.037 -0.185 0.000 0.631 62 A CB -0.616 18.300 19.000 -0.139 0.000 0.814 62 A HN 0.388 nan 8.150 nan 0.000 0.446 63 A N -1.536 121.138 122.820 -0.244 0.000 2.206 63 A HA 0.390 4.710 4.320 -0.000 0.000 0.211 63 A C 1.775 179.280 177.584 -0.132 0.000 1.158 63 A CA 1.187 53.132 52.037 -0.153 0.000 0.761 63 A CB -1.137 17.784 19.000 -0.132 0.000 0.801 63 A HN 1.956 nan 8.150 nan 0.000 0.473 64 G N -0.504 108.189 108.800 -0.178 0.000 2.273 64 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.280 64 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.280 64 G C -0.212 174.612 174.900 -0.126 0.000 1.047 64 G CA 0.638 45.654 45.100 -0.140 0.000 0.869 64 G HN 0.649 nan 8.290 nan 0.000 0.502 65 E N -0.688 119.407 120.200 -0.174 0.000 2.312 65 E HA 0.396 4.746 4.350 -0.000 0.000 0.267 65 E C -0.581 175.916 176.600 -0.173 0.000 0.894 65 E CA -1.012 55.319 56.400 -0.115 0.000 0.773 65 E CB 1.411 31.110 29.700 -0.002 0.000 1.241 65 E HN 0.215 nan 8.360 nan 0.000 0.432 66 D N 2.338 122.671 120.400 -0.111 0.000 2.425 66 D HA 0.020 4.660 4.640 -0.000 0.000 0.247 66 D C -1.797 174.391 176.300 -0.186 0.000 1.147 66 D CA -1.302 52.619 54.000 -0.132 0.000 0.879 66 D CB 1.117 41.881 40.800 -0.061 0.000 1.179 66 D HN 0.021 nan 8.370 nan 0.000 0.456 67 P HA -0.240 nan 4.420 nan 0.000 0.216 67 P C 1.194 178.265 177.300 -0.383 0.000 1.157 67 P CA 1.309 64.010 63.100 -0.665 0.000 0.880 67 P CB 0.126 30.897 31.700 -1.548 0.000 0.791 68 K N -0.291 119.974 120.400 -0.225 0.000 2.026 68 K HA -0.077 4.243 4.320 -0.000 0.000 0.208 68 K C 2.017 178.667 176.600 0.084 0.000 1.048 68 K CA 1.927 58.295 56.287 0.135 0.000 0.929 68 K CB -1.118 31.518 32.500 0.226 0.000 0.713 68 K HN 0.007 nan 8.250 nan 0.000 0.439 69 A N 0.184 123.026 122.820 0.037 0.000 1.933 69 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 69 A C 2.154 179.765 177.584 0.047 0.000 1.175 69 A CA 1.299 53.355 52.037 0.032 0.000 0.628 69 A CB -0.715 18.296 19.000 0.018 0.000 0.814 69 A HN 0.382 nan 8.150 nan 0.000 0.444 70 F N 1.234 121.121 119.950 -0.104 0.000 2.102 70 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 70 F C 2.314 178.070 175.800 -0.074 0.000 1.105 70 F CA 2.228 60.164 58.000 -0.107 0.000 1.239 70 F CB -0.314 38.592 39.000 -0.156 0.000 0.991 70 F HN 0.123 nan 8.300 nan 0.000 0.474 71 V N -2.163 117.736 119.914 -0.025 0.000 2.548 71 V HA -0.159 3.961 4.120 -0.000 0.000 0.249 71 V C 1.941 177.966 176.094 -0.116 0.000 1.055 71 V CA 1.997 64.231 62.300 -0.109 0.000 1.065 71 V CB -0.979 30.906 31.823 0.104 0.000 0.681 71 V HN 0.167 nan 8.190 nan 0.000 0.462 72 D N 0.599 120.968 120.400 -0.053 0.000 2.149 72 D HA -0.158 4.481 4.640 -0.000 0.000 0.198 72 D C 2.261 178.488 176.300 -0.122 0.000 0.990 72 D CA 1.935 55.899 54.000 -0.060 0.000 0.839 72 D CB -0.193 40.593 40.800 -0.023 0.000 0.948 72 D HN 0.548 nan 8.370 nan 0.000 0.460 73 R N 0.450 120.852 120.500 -0.164 0.000 2.052 73 R HA -0.071 4.269 4.340 -0.000 0.000 0.226 73 R C 2.268 178.406 176.300 -0.270 0.000 1.145 73 R CA 1.309 57.291 56.100 -0.197 0.000 0.952 73 R CB -0.145 30.046 30.300 -0.181 0.000 0.847 73 R HN 0.174 nan 8.270 nan 0.000 0.431 74 V N -0.069 119.592 119.914 -0.423 0.000 2.913 74 V HA -0.095 4.025 4.120 -0.000 0.000 0.260 74 V C 1.955 177.894 176.094 -0.259 0.000 1.098 74 V CA 1.765 63.814 62.300 -0.419 0.000 1.121 74 V CB -0.375 31.043 31.823 -0.675 0.000 0.714 74 V HN 0.447 nan 8.190 nan 0.000 0.487 75 S N 1.083 116.668 115.700 -0.191 0.000 2.474 75 S HA 0.031 4.501 4.470 -0.000 0.000 0.235 75 S C 1.980 176.513 174.600 -0.111 0.000 0.997 75 S CA 1.057 59.225 58.200 -0.053 0.000 0.949 75 S CB -0.847 62.329 63.200 -0.039 0.000 0.766 75 S HN 0.791 nan 8.310 nan 0.000 0.517 76 G N 2.021 110.705 108.800 -0.194 0.000 2.448 76 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.219 76 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.219 76 G C 1.672 176.416 174.900 -0.260 0.000 1.127 76 G CA 0.288 45.253 45.100 -0.225 0.000 0.766 76 G HN 0.538 nan 8.290 nan 0.000 0.552 77 R N -0.680 119.637 120.500 -0.305 0.000 2.081 77 R HA -0.038 4.302 4.340 -0.000 0.000 0.235 77 R C 2.240 178.168 176.300 -0.619 0.000 1.131 77 R CA 1.206 57.030 56.100 -0.459 0.000 0.960 77 R CB -0.487 29.484 30.300 -0.549 0.000 0.856 77 R HN 0.405 nan 8.270 nan 0.000 0.436 78 F N 1.233 120.909 119.950 -0.456 0.000 2.206 78 F HA -0.075 4.452 4.527 -0.000 0.000 0.298 78 F C 2.312 177.635 175.800 -0.794 0.000 1.090 78 F CA 1.255 58.821 58.000 -0.723 0.000 1.323 78 F CB -0.115 38.663 39.000 -0.370 0.000 1.028 78 F HN -0.128 nan 8.300 nan 0.000 0.492 79 K N -0.185 120.050 120.400 -0.275 0.000 2.097 79 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 79 K C 2.185 178.734 176.600 -0.086 0.000 1.049 79 K CA 1.114 57.298 56.287 -0.173 0.000 0.933 79 K CB -0.126 32.196 32.500 -0.297 0.000 0.717 79 K HN 0.198 nan 8.250 nan 0.000 0.442 80 R N 0.136 120.518 120.500 -0.197 0.000 2.090 80 R HA -0.027 4.313 4.340 -0.000 0.000 0.228 80 R C 2.370 178.597 176.300 -0.122 0.000 1.110 80 R CA 1.026 57.038 56.100 -0.147 0.000 0.973 80 R CB -0.237 29.936 30.300 -0.211 0.000 0.869 80 R HN 0.152 nan 8.270 nan 0.000 0.440 81 A N 0.651 123.287 122.820 -0.308 0.000 1.883 81 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 81 A C 1.886 179.708 177.584 0.397 0.000 1.186 81 A CA 1.186 53.125 52.037 -0.162 0.000 0.624 81 A CB -1.012 17.652 19.000 -0.560 0.000 0.822 81 A HN 0.504 nan 8.150 nan 0.000 0.444 82 W N -0.257 121.219 121.300 0.293 0.000 2.363 82 W HA -0.142 4.518 4.660 -0.000 0.000 0.296 82 W C 1.970 178.642 176.519 0.255 0.000 1.212 82 W CA 0.191 57.742 57.345 0.343 0.000 1.260 82 W CB -0.167 29.583 29.460 0.483 0.000 1.131 82 W HN 0.334 nan 8.180 nan 0.000 0.530 83 D N 0.664 121.304 120.400 0.401 0.000 2.097 83 D HA -0.149 4.491 4.640 -0.000 0.000 0.195 83 D C 2.215 178.652 176.300 0.229 0.000 0.989 83 D CA 1.288 55.430 54.000 0.236 0.000 0.827 83 D CB -0.434 40.444 40.800 0.129 0.000 0.966 83 D HN 0.177 nan 8.370 nan 0.000 0.456 84 L N 0.348 121.721 121.223 0.249 0.000 2.083 84 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 84 L C 2.377 179.431 176.870 0.307 0.000 1.083 84 L CA 0.661 55.660 54.840 0.264 0.000 0.752 84 L CB -0.233 42.016 42.059 0.317 0.000 0.899 84 L HN 0.022 nan 8.230 nan 0.000 0.433 85 L N -0.400 121.060 121.223 0.394 0.000 2.599 85 L HA 0.129 4.469 4.340 -0.000 0.000 0.230 85 L C 1.200 178.233 176.870 0.272 0.000 1.141 85 L CA 0.338 55.385 54.840 0.345 0.000 0.877 85 L CB -0.392 41.929 42.059 0.437 0.000 1.009 85 L HN 0.449 nan 8.230 nan 0.000 0.447 86 G N 1.292 110.243 108.800 0.252 0.000 2.272 86 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.280 86 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.280 86 G C 0.040 175.048 174.900 0.179 0.000 1.067 86 G CA -0.337 44.873 45.100 0.184 0.000 0.902 86 G HN 0.148 nan 8.290 nan 0.000 0.500 87 I N 0.663 121.367 120.570 0.223 0.000 2.337 87 I HA 0.469 4.639 4.170 -0.000 0.000 0.291 87 I C 1.008 177.169 176.117 0.074 0.000 1.046 87 I CA -0.448 60.978 61.300 0.211 0.000 1.324 87 I CB 0.890 39.027 38.000 0.228 0.000 1.409 87 I HN 0.397 nan 8.210 nan 0.000 0.494 88 A N 8.279 131.150 122.820 0.085 0.000 3.157 88 A HA 0.342 4.662 4.320 -0.000 0.000 0.276 88 A C -0.015 177.499 177.584 -0.115 0.000 1.524 88 A CA -0.574 51.420 52.037 -0.072 0.000 1.236 88 A CB -0.931 18.078 19.000 0.015 0.000 1.173 88 A HN 0.570 nan 8.150 nan 0.000 0.595 89 Y N -1.214 118.902 120.300 -0.307 0.000 2.357 89 Y HA 0.371 4.921 4.550 -0.000 0.000 0.340 89 Y C 0.489 176.156 175.900 -0.388 0.000 1.260 89 Y CA -1.018 56.611 58.100 -0.786 0.000 1.425 89 Y CB 0.572 38.454 38.460 -0.962 0.000 1.326 89 Y HN 0.365 nan 8.280 nan 0.000 0.580 90 D N -0.222 120.012 120.400 -0.278 0.000 2.327 90 D HA 0.011 4.651 4.640 -0.000 0.000 0.205 90 D C -0.457 175.754 176.300 -0.148 0.000 0.989 90 D CA 1.114 54.944 54.000 -0.283 0.000 0.873 90 D CB 0.370 40.815 40.800 -0.591 0.000 0.955 90 D HN 0.625 nan 8.370 nan 0.000 0.515 91 D N -0.952 119.397 120.400 -0.084 0.000 2.717 91 D HA 0.170 4.810 4.640 -0.000 0.000 0.223 91 D C -1.909 174.405 176.300 0.024 0.000 1.240 91 D CA -0.631 53.419 54.000 0.084 0.000 0.801 91 D CB 1.487 42.371 40.800 0.139 0.000 1.556 91 D HN -0.245 nan 8.370 nan 0.000 0.462 92 F N 3.861 123.745 119.950 -0.110 0.000 2.430 92 F HA 0.488 5.015 4.527 -0.000 0.000 0.362 92 F C -0.994 174.722 175.800 -0.140 0.000 1.103 92 F CA -0.960 56.867 58.000 -0.288 0.000 1.045 92 F CB 0.584 39.376 39.000 -0.348 0.000 1.276 92 F HN 0.264 nan 8.300 nan 0.000 0.444 93 I N 6.611 127.073 120.570 -0.180 0.000 2.371 93 I HA 0.378 4.548 4.170 -0.000 0.000 0.290 93 I C -0.615 175.393 176.117 -0.183 0.000 1.028 93 I CA 0.044 61.275 61.300 -0.114 0.000 1.345 93 I CB 0.321 38.239 38.000 -0.136 0.000 1.407 93 I HN 0.535 nan 8.210 nan 0.000 0.501 94 R N 4.502 124.954 120.500 -0.079 0.000 2.387 94 R HA 0.287 4.627 4.340 -0.000 0.000 0.314 94 R C 1.073 177.225 176.300 -0.247 0.000 0.958 94 R CA 0.045 56.074 56.100 -0.118 0.000 0.846 94 R CB 1.284 31.596 30.300 0.021 0.000 1.147 94 R HN 0.774 nan 8.270 nan 0.000 0.447 95 T N -2.431 111.875 114.554 -0.415 0.000 3.025 95 T HA -0.149 4.201 4.350 -0.000 0.000 0.270 95 T C 1.617 176.191 174.700 -0.209 0.000 1.126 95 T CA 1.597 63.395 62.100 -0.503 0.000 1.105 95 T CB -0.269 68.259 68.868 -0.565 0.000 0.884 95 T HN 0.684 nan 8.240 nan 0.000 0.522 96 T N -0.637 113.779 114.554 -0.230 0.000 3.085 96 T HA 0.117 4.467 4.350 -0.000 0.000 0.263 96 T C 0.569 175.299 174.700 0.050 0.000 1.127 96 T CA -0.089 61.981 62.100 -0.049 0.000 1.103 96 T CB -0.394 68.494 68.868 0.033 0.000 0.921 96 T HN 0.557 nan 8.240 nan 0.000 0.510 97 E N 1.581 121.806 120.200 0.042 0.000 2.384 97 E HA 0.095 4.445 4.350 -0.000 0.000 0.266 97 E C 0.969 177.621 176.600 0.088 0.000 1.012 97 E CA -0.326 56.115 56.400 0.068 0.000 0.901 97 E CB 0.814 30.554 29.700 0.067 0.000 0.967 97 E HN 0.189 nan 8.360 nan 0.000 0.435 98 E N 3.701 123.938 120.200 0.061 0.000 2.085 98 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 98 E C 1.863 178.487 176.600 0.041 0.000 0.994 98 E CA 1.924 58.348 56.400 0.040 0.000 0.801 98 E CB 0.014 29.731 29.700 0.029 0.000 0.743 98 E HN 0.576 nan 8.360 nan 0.000 0.453 99 R N -1.100 119.435 120.500 0.060 0.000 2.159 99 R HA -0.199 4.141 4.340 -0.000 0.000 0.237 99 R C 2.224 178.568 176.300 0.074 0.000 1.131 99 R CA 1.864 58.001 56.100 0.061 0.000 0.982 99 R CB -0.774 29.572 30.300 0.077 0.000 0.868 99 R HN 0.320 nan 8.270 nan 0.000 0.453 100 H N 1.147 120.216 119.070 -0.003 0.000 2.355 100 H HA 0.055 4.611 4.556 -0.000 0.000 0.303 100 H C 2.041 177.352 175.328 -0.027 0.000 1.061 100 H CA 1.446 57.481 56.048 -0.022 0.000 1.368 100 H CB 0.082 29.818 29.762 -0.044 0.000 1.412 100 H HN 0.036 nan 8.280 nan 0.000 0.523 101 K N 1.479 121.834 120.400 -0.074 0.000 2.103 101 K HA -0.207 4.113 4.320 -0.000 0.000 0.207 101 K C 2.108 178.614 176.600 -0.156 0.000 1.048 101 K CA 1.727 57.928 56.287 -0.144 0.000 0.930 101 K CB -0.260 32.207 32.500 -0.055 0.000 0.716 101 K HN 0.377 nan 8.250 nan 0.000 0.444 102 K N 0.337 120.680 120.400 -0.095 0.000 2.057 102 K HA -0.076 4.244 4.320 -0.000 0.000 0.207 102 K C 2.050 178.605 176.600 -0.075 0.000 1.049 102 K CA 1.206 57.451 56.287 -0.070 0.000 0.931 102 K CB 0.097 32.578 32.500 -0.033 0.000 0.714 102 K HN -0.026 nan 8.250 nan 0.000 0.440 103 V N 0.630 120.487 119.914 -0.094 0.000 2.358 103 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 103 V C 2.281 178.293 176.094 -0.137 0.000 1.047 103 V CA 1.333 63.591 62.300 -0.070 0.000 1.035 103 V CB -0.084 31.700 31.823 -0.065 0.000 0.658 103 V HN 0.145 nan 8.190 nan 0.000 0.452 104 V N -0.182 119.574 119.914 -0.263 0.000 2.287 104 V HA -0.338 3.781 4.120 -0.000 0.000 0.248 104 V C 2.502 178.529 176.094 -0.112 0.000 1.053 104 V CA 2.206 64.376 62.300 -0.216 0.000 1.027 104 V CB -0.718 30.916 31.823 -0.315 0.000 0.646 104 V HN 0.597 nan 8.190 nan 0.000 0.447 105 Q N -0.887 118.835 119.800 -0.129 0.000 2.119 105 Q HA -0.147 4.193 4.340 -0.000 0.000 0.201 105 Q C 2.342 178.324 176.000 -0.029 0.000 0.972 105 Q CA 1.248 56.988 55.803 -0.106 0.000 0.847 105 Q CB -0.273 28.390 28.738 -0.125 0.000 0.903 105 Q HN 0.491 nan 8.270 nan 0.000 0.433 106 L N 0.741 121.957 121.223 -0.012 0.000 2.017 106 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 106 L C 2.154 179.066 176.870 0.071 0.000 1.073 106 L CA 1.537 56.400 54.840 0.038 0.000 0.745 106 L CB -0.585 41.508 42.059 0.057 0.000 0.894 106 L HN 0.089 nan 8.230 nan 0.000 0.432 107 V N 0.173 120.119 119.914 0.054 0.000 2.427 107 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 107 V C 2.754 178.915 176.094 0.112 0.000 1.051 107 V CA 1.191 63.532 62.300 0.068 0.000 1.048 107 V CB -0.295 31.532 31.823 0.006 0.000 0.666 107 V HN 0.379 nan 8.190 nan 0.000 0.456 108 L N -0.398 120.881 121.223 0.093 0.000 2.046 108 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 108 L C 2.626 179.648 176.870 0.253 0.000 1.077 108 L CA 1.806 56.702 54.840 0.094 0.000 0.747 108 L CB -0.521 41.541 42.059 0.005 0.000 0.896 108 L HN 0.295 nan 8.230 nan 0.000 0.432 109 K N -0.127 120.408 120.400 0.226 0.000 2.057 109 K HA -0.234 4.086 4.320 -0.000 0.000 0.207 109 K C 2.148 178.842 176.600 0.156 0.000 1.049 109 K CA 1.334 57.760 56.287 0.231 0.000 0.931 109 K CB -0.131 32.464 32.500 0.158 0.000 0.714 109 K HN 0.169 nan 8.250 nan 0.000 0.440 110 K N 1.097 121.565 120.400 0.114 0.000 2.026 110 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 110 K C 1.986 178.632 176.600 0.076 0.000 1.048 110 K CA 1.297 57.634 56.287 0.083 0.000 0.929 110 K CB 0.019 32.568 32.500 0.081 0.000 0.713 110 K HN -0.081 nan 8.250 nan 0.000 0.439 111 V N 0.667 120.636 119.914 0.092 0.000 2.407 111 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 111 V C 2.098 178.239 176.094 0.078 0.000 1.055 111 V CA 1.794 64.157 62.300 0.105 0.000 1.049 111 V CB -0.673 31.216 31.823 0.110 0.000 0.662 111 V HN 0.381 nan 8.190 nan 0.000 0.455 112 Y N 1.525 121.728 120.300 -0.161 0.000 2.114 112 Y HA -0.227 4.323 4.550 -0.000 0.000 0.284 112 Y C 2.502 178.258 175.900 -0.241 0.000 1.143 112 Y CA 2.082 59.950 58.100 -0.386 0.000 1.135 112 Y CB -0.240 37.686 38.460 -0.891 0.000 0.980 112 Y HN 0.343 nan 8.280 nan 0.000 0.499 113 E N -0.396 119.731 120.200 -0.122 0.000 2.338 113 E HA -0.091 4.259 4.350 -0.000 0.000 0.197 113 E C 1.954 178.481 176.600 -0.122 0.000 1.007 113 E CA 0.558 56.863 56.400 -0.159 0.000 0.849 113 E CB -0.181 29.504 29.700 -0.024 0.000 0.774 113 E HN 0.539 nan 8.360 nan 0.000 0.506 114 A N 0.249 123.033 122.820 -0.059 0.000 2.208 114 A HA 0.214 4.534 4.320 -0.000 0.000 0.209 114 A C 1.727 179.293 177.584 -0.029 0.000 1.161 114 A CA 0.824 52.853 52.037 -0.014 0.000 0.782 114 A CB -0.202 18.829 19.000 0.051 0.000 0.816 114 A HN 0.322 nan 8.150 nan 0.000 0.477 115 G N -0.831 107.906 108.800 -0.105 0.000 2.141 115 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.231 115 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.231 115 G C 0.226 175.121 174.900 -0.008 0.000 0.984 115 G CA 0.401 45.435 45.100 -0.109 0.000 0.660 115 G HN 0.423 nan 8.290 nan 0.000 0.525 116 D N 0.060 120.512 120.400 0.087 0.000 2.340 116 D HA 0.274 4.914 4.640 -0.000 0.000 0.217 116 D C 0.967 177.462 176.300 0.325 0.000 1.081 116 D CA 0.344 54.486 54.000 0.236 0.000 0.842 116 D CB 0.650 41.717 40.800 0.444 0.000 0.934 116 D HN 0.501 nan 8.370 nan 0.000 0.511 117 I N 1.144 121.845 120.570 0.219 0.000 2.466 117 I HA 0.242 4.411 4.170 -0.000 0.000 0.289 117 I C -0.950 175.362 176.117 0.325 0.000 1.026 117 I CA -1.128 60.336 61.300 0.272 0.000 1.078 117 I CB 1.577 39.700 38.000 0.205 0.000 1.249 117 I HN -0.163 nan 8.210 nan 0.000 0.429 118 Y N 4.699 125.199 120.300 0.333 0.000 2.609 118 Y HA 0.562 5.112 4.550 -0.000 0.000 0.342 118 Y C -1.527 174.636 175.900 0.439 0.000 1.058 118 Y CA -1.558 56.739 58.100 0.327 0.000 1.055 118 Y CB 0.875 39.431 38.460 0.160 0.000 1.292 118 Y HN 0.425 nan 8.280 nan 0.000 0.476 119 Y N 1.810 122.299 120.300 0.317 0.000 2.367 119 Y HA 0.713 5.263 4.550 -0.000 0.000 0.342 119 Y C 0.015 176.032 175.900 0.195 0.000 0.979 119 Y CA -0.653 57.415 58.100 -0.054 0.000 1.161 119 Y CB 0.855 39.182 38.460 -0.222 0.000 1.155 119 Y HN 0.972 nan 8.280 nan 0.000 0.503 120 G N 4.402 113.076 108.800 -0.210 0.000 2.537 120 G HA2 0.543 4.503 3.960 -0.000 0.000 0.308 120 G HA3 0.543 4.503 3.960 -0.000 0.000 0.308 120 G C -1.551 173.194 174.900 -0.258 0.000 1.237 120 G CA -0.976 44.062 45.100 -0.104 0.000 0.968 120 G HN 0.593 nan 8.290 nan 0.000 0.481 121 E N 0.194 120.304 120.200 -0.150 0.000 2.182 121 E HA 0.270 4.620 4.350 -0.000 0.000 0.258 121 E C -1.692 174.900 176.600 -0.013 0.000 0.879 121 E CA -0.641 55.695 56.400 -0.106 0.000 0.754 121 E CB 2.000 31.651 29.700 -0.082 0.000 1.162 121 E HN 0.576 nan 8.360 nan 0.000 0.419 122 Y N 2.173 122.428 120.300 -0.075 0.000 2.464 122 Y HA 0.229 4.779 4.550 -0.000 0.000 0.326 122 Y C 0.152 176.036 175.900 -0.027 0.000 0.969 122 Y CA -1.438 56.632 58.100 -0.049 0.000 1.270 122 Y CB 0.708 39.166 38.460 -0.004 0.000 1.103 122 Y HN 0.288 nan 8.280 nan 0.000 0.491 123 E N 2.281 122.435 120.200 -0.076 0.000 2.812 123 E HA 0.208 4.558 4.350 -0.000 0.000 0.276 123 E C -0.260 176.275 176.600 -0.108 0.000 0.946 123 E CA 1.020 57.381 56.400 -0.065 0.000 0.971 123 E CB 0.451 30.176 29.700 0.041 0.000 0.960 123 E HN 0.966 nan 8.360 nan 0.000 0.479 124 G N 1.405 110.198 108.800 -0.012 0.000 2.766 124 G HA2 0.528 4.488 3.960 -0.000 0.000 0.288 124 G HA3 0.528 4.488 3.960 -0.000 0.000 0.288 124 G C -0.830 174.281 174.900 0.351 0.000 1.408 124 G CA -1.151 44.002 45.100 0.087 0.000 0.852 124 G HN 0.417 nan 8.290 nan 0.000 0.487 125 L N 0.583 122.030 121.223 0.372 0.000 2.305 125 L HA 0.451 4.791 4.340 -0.000 0.000 0.281 125 L C -0.913 176.181 176.870 0.373 0.000 1.085 125 L CA -0.659 54.376 54.840 0.325 0.000 0.813 125 L CB 1.137 43.346 42.059 0.249 0.000 1.157 125 L HN 0.552 nan 8.230 nan 0.000 0.436 126 Y N 3.154 123.466 120.300 0.021 0.000 2.425 126 Y HA 0.410 4.960 4.550 -0.000 0.000 0.344 126 Y C -0.617 175.227 175.900 -0.094 0.000 0.969 126 Y CA -0.863 57.079 58.100 -0.264 0.000 1.052 126 Y CB 1.843 39.937 38.460 -0.611 0.000 1.215 126 Y HN 0.632 nan 8.280 nan 0.000 0.451 127 C N 7.907 126.901 119.300 -0.509 0.000 2.281 127 C HA 0.463 4.923 4.460 -0.000 0.000 0.325 127 C C 1.416 176.117 174.990 -0.482 0.000 1.282 127 C CA -0.065 58.800 59.018 -0.256 0.000 1.640 127 C CB -0.656 27.092 27.740 0.012 0.000 2.288 127 C HN 0.958 nan 8.230 nan 0.000 0.507 128 V N 4.379 124.200 119.914 -0.154 0.000 2.427 128 V HA -0.024 4.096 4.120 -0.000 0.000 0.248 128 V C 2.033 178.046 176.094 -0.134 0.000 1.051 128 V CA 2.425 64.707 62.300 -0.030 0.000 1.048 128 V CB -1.006 30.844 31.823 0.046 0.000 0.666 128 V HN 0.851 nan 8.190 nan 0.000 0.456 129 S N -0.232 115.322 115.700 -0.243 0.000 2.356 129 S HA -0.176 4.294 4.470 -0.000 0.000 0.223 129 S C 1.954 176.447 174.600 -0.179 0.000 1.032 129 S CA 1.850 59.834 58.200 -0.361 0.000 1.005 129 S CB -0.740 61.860 63.200 -1.001 0.000 0.867 129 S HN 0.750 nan 8.310 nan 0.000 0.449 130 C N 0.834 120.083 119.300 -0.085 0.000 2.464 130 C HA 0.140 4.600 4.460 -0.000 0.000 0.278 130 C C 0.931 175.853 174.990 -0.113 0.000 1.375 130 C CA -0.155 58.892 59.018 0.048 0.000 1.761 130 C CB -1.221 26.610 27.740 0.152 0.000 1.944 130 C HN 0.621 nan 8.230 nan 0.000 0.509 131 E N 0.232 120.270 120.200 -0.270 0.000 2.416 131 E HA -0.221 4.129 4.350 -0.000 0.000 0.249 131 E C 0.082 176.468 176.600 -0.357 0.000 1.124 131 E CA 0.446 56.695 56.400 -0.252 0.000 0.732 131 E CB -1.355 28.327 29.700 -0.029 0.000 1.286 131 E HN 0.874 nan 8.360 nan 0.000 0.394 132 R N -1.025 119.031 120.500 -0.741 0.000 2.710 132 R HA 0.592 4.931 4.340 -0.000 0.000 0.270 132 R C -1.007 174.813 176.300 -0.800 0.000 1.021 132 R CA -0.875 54.891 56.100 -0.558 0.000 0.889 132 R CB 0.879 30.932 30.300 -0.411 0.000 1.243 132 R HN -0.110 nan 8.270 nan 0.000 0.464 133 F N 0.680 120.422 119.950 -0.346 0.000 2.380 133 F HA 0.466 4.993 4.527 -0.000 0.000 0.325 133 F C -0.365 175.190 175.800 -0.409 0.000 1.136 133 F CA 0.278 58.159 58.000 -0.198 0.000 1.171 133 F CB 0.883 39.871 39.000 -0.019 0.000 1.230 133 F HN 0.326 nan 8.300 nan 0.000 0.554 134 Y N -0.578 119.857 120.300 0.226 0.000 2.470 134 Y HA 0.331 4.881 4.550 -0.000 0.000 0.341 134 Y C 0.183 176.179 175.900 0.159 0.000 1.021 134 Y CA -1.439 56.745 58.100 0.139 0.000 1.025 134 Y CB 1.745 40.247 38.460 0.070 0.000 1.266 134 Y HN 0.617 nan 8.280 nan 0.000 0.448 135 T N -2.142 112.600 114.554 0.313 0.000 2.816 135 T HA 0.183 4.533 4.350 -0.000 0.000 0.282 135 T C 1.037 175.859 174.700 0.203 0.000 0.993 135 T CA -0.405 61.835 62.100 0.232 0.000 0.994 135 T CB 1.258 70.244 68.868 0.197 0.000 1.025 135 T HN 0.702 nan 8.240 nan 0.000 0.529 136 E N 0.446 120.745 120.200 0.166 0.000 2.085 136 E HA -0.143 4.206 4.350 -0.000 0.000 0.194 136 E C 2.088 178.751 176.600 0.104 0.000 0.994 136 E CA 1.498 57.975 56.400 0.127 0.000 0.801 136 E CB -0.220 29.550 29.700 0.117 0.000 0.743 136 E HN 0.770 nan 8.360 nan 0.000 0.453 137 K N 0.156 120.624 120.400 0.114 0.000 2.152 137 K HA -0.183 4.137 4.320 -0.000 0.000 0.206 137 K C 1.610 178.259 176.600 0.082 0.000 1.048 137 K CA 1.639 57.983 56.287 0.095 0.000 0.933 137 K CB -0.002 32.562 32.500 0.106 0.000 0.721 137 K HN 0.197 nan 8.250 nan 0.000 0.447 138 E N 0.282 120.546 120.200 0.106 0.000 2.371 138 E HA 0.001 4.351 4.350 -0.000 0.000 0.194 138 E C 0.093 176.673 176.600 -0.034 0.000 1.012 138 E CA -0.054 56.395 56.400 0.080 0.000 0.860 138 E CB 0.128 29.953 29.700 0.210 0.000 0.811 138 E HN 0.252 nan 8.360 nan 0.000 0.502 139 L N 1.328 122.536 121.223 -0.025 0.000 2.452 139 L HA 0.111 4.451 4.340 -0.000 0.000 0.267 139 L C 0.010 176.846 176.870 -0.057 0.000 1.188 139 L CA -0.401 54.387 54.840 -0.086 0.000 0.821 139 L CB 0.835 42.878 42.059 -0.027 0.000 1.102 139 L HN -0.131 nan 8.230 nan 0.000 0.470 140 V N 2.433 122.302 119.914 -0.075 0.000 2.293 140 V HA 0.194 4.314 4.120 -0.000 0.000 0.275 140 V C -0.145 175.931 176.094 -0.028 0.000 1.021 140 V CA -0.361 61.912 62.300 -0.045 0.000 0.815 140 V CB 0.645 32.435 31.823 -0.055 0.000 1.025 140 V HN 0.837 nan 8.190 nan 0.000 0.448 141 E N 3.607 123.800 120.200 -0.011 0.000 2.553 141 E HA -0.234 4.116 4.350 -0.000 0.000 0.264 141 E C 1.265 177.866 176.600 0.001 0.000 1.068 141 E CA 1.114 57.513 56.400 -0.002 0.000 0.774 141 E CB -1.551 28.147 29.700 -0.004 0.000 1.349 141 E HN 1.543 nan 8.360 nan 0.000 0.404 142 G N -0.844 107.957 108.800 0.002 0.000 2.155 142 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.257 142 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.257 142 G C 0.308 175.207 174.900 -0.003 0.000 0.983 142 G CA 0.769 45.875 45.100 0.011 0.000 0.676 142 G HN 0.301 nan 8.290 nan 0.000 0.528 143 L N -0.720 120.487 121.223 -0.027 0.000 2.303 143 L HA 0.605 4.945 4.340 -0.000 0.000 0.266 143 L C 1.371 178.177 176.870 -0.106 0.000 1.011 143 L CA -1.250 53.565 54.840 -0.041 0.000 0.818 143 L CB 1.722 43.764 42.059 -0.027 0.000 1.326 143 L HN 0.234 nan 8.230 nan 0.000 0.435 144 C N 2.650 121.881 119.300 -0.116 0.000 2.611 144 C HA 0.107 4.567 4.460 -0.000 0.000 0.416 144 C C -0.945 173.904 174.990 -0.235 0.000 1.366 144 C CA -0.889 57.978 59.018 -0.253 0.000 1.761 144 C CB 0.095 27.785 27.740 -0.082 0.000 2.619 144 C HN 0.600 nan 8.230 nan 0.000 0.606 145 P HA -0.004 nan 4.420 nan 0.000 0.230 145 P C 1.039 178.243 177.300 -0.160 0.000 1.158 145 P CA 1.358 64.331 63.100 -0.212 0.000 0.769 145 P CB 0.035 31.607 31.700 -0.213 0.000 0.807 146 I N -1.682 118.778 120.570 -0.182 0.000 2.681 146 I HA -0.044 4.126 4.170 -0.000 0.000 0.247 146 I C 1.811 177.745 176.117 -0.306 0.000 1.091 146 I CA 0.806 61.965 61.300 -0.234 0.000 1.442 146 I CB -0.520 37.311 38.000 -0.281 0.000 1.219 146 I HN -0.081 nan 8.210 nan 0.000 0.451 147 H N 0.670 119.707 119.070 -0.054 0.000 2.548 147 H HA 0.223 4.779 4.556 -0.000 0.000 0.265 147 H C 1.442 176.745 175.328 -0.041 0.000 0.969 147 H CA 0.588 56.613 56.048 -0.038 0.000 1.155 147 H CB 0.062 29.807 29.762 -0.028 0.000 1.394 147 H HN 0.418 nan 8.280 nan 0.000 0.570 148 G N 1.400 110.214 108.800 0.024 0.000 2.258 148 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.274 148 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.274 148 G C 0.363 175.276 174.900 0.022 0.000 1.021 148 G CA 0.682 45.783 45.100 0.003 0.000 0.798 148 G HN 0.592 nan 8.290 nan 0.000 0.507 149 R N -0.972 119.551 120.500 0.039 0.000 2.873 149 R HA 0.739 5.079 4.340 -0.000 0.000 0.264 149 R C -2.938 173.367 176.300 0.009 0.000 1.026 149 R CA -2.132 53.983 56.100 0.024 0.000 1.002 149 R CB 1.428 31.743 30.300 0.025 0.000 1.174 149 R HN 0.013 nan 8.270 nan 0.000 0.488 150 P HA 0.014 nan 4.420 nan 0.000 0.271 150 P C -0.629 176.680 177.300 0.015 0.000 1.233 150 P CA -0.418 62.689 63.100 0.011 0.000 0.789 150 P CB 0.618 32.327 31.700 0.015 0.000 0.951 151 V N -2.152 117.781 119.914 0.032 0.000 2.919 151 V HA 0.663 4.783 4.120 -0.000 0.000 0.316 151 V C -0.232 175.904 176.094 0.071 0.000 1.077 151 V CA -1.014 61.318 62.300 0.053 0.000 0.977 151 V CB 1.644 33.517 31.823 0.083 0.000 1.039 151 V HN 0.646 nan 8.190 nan 0.000 0.441 152 E N 2.071 122.328 120.200 0.095 0.000 2.222 152 E HA 0.522 4.872 4.350 -0.000 0.000 0.267 152 E C -0.540 176.134 176.600 0.123 0.000 0.963 152 E CA -1.087 55.370 56.400 0.094 0.000 0.837 152 E CB 2.159 31.907 29.700 0.081 0.000 1.183 152 E HN 0.741 nan 8.360 nan 0.000 0.403 153 R N 2.392 122.951 120.500 0.098 0.000 2.210 153 R HA 0.248 4.588 4.340 -0.000 0.000 0.338 153 R C -0.578 175.776 176.300 0.090 0.000 1.062 153 R CA -0.238 55.931 56.100 0.115 0.000 0.902 153 R CB 0.520 30.874 30.300 0.090 0.000 1.050 153 R HN 0.528 nan 8.270 nan 0.000 0.461 154 R N 2.746 123.329 120.500 0.138 0.000 2.803 154 R HA 0.265 4.605 4.340 -0.000 0.000 0.276 154 R C -0.838 175.574 176.300 0.187 0.000 0.978 154 R CA -1.190 54.954 56.100 0.074 0.000 0.939 154 R CB 1.788 31.981 30.300 -0.178 0.000 1.179 154 R HN 0.498 nan 8.270 nan 0.000 0.472 155 K N 0.634 121.082 120.400 0.081 0.000 2.172 155 K HA 0.262 4.582 4.320 -0.000 0.000 0.276 155 K C -0.616 175.987 176.600 0.006 0.000 1.013 155 K CA -0.517 55.774 56.287 0.006 0.000 0.913 155 K CB 1.415 33.906 32.500 -0.016 0.000 1.055 155 K HN 0.497 nan 8.250 nan 0.000 0.461 156 E N 1.591 121.641 120.200 -0.251 0.000 2.238 156 E HA 0.497 4.847 4.350 -0.000 0.000 0.267 156 E C -0.790 175.651 176.600 -0.265 0.000 0.887 156 E CA -1.275 54.929 56.400 -0.326 0.000 0.769 156 E CB 1.516 30.618 29.700 -0.996 0.000 1.187 156 E HN 0.834 nan 8.360 nan 0.000 0.416 157 G N 2.715 111.448 108.800 -0.113 0.000 2.389 157 G HA2 0.464 4.423 3.960 -0.000 0.000 0.317 157 G HA3 0.464 4.423 3.960 -0.000 0.000 0.317 157 G C -0.748 174.040 174.900 -0.186 0.000 1.137 157 G CA -0.381 44.544 45.100 -0.292 0.000 0.870 157 G HN 0.552 nan 8.290 nan 0.000 0.496 158 N N -0.985 117.494 118.700 -0.368 0.000 2.708 158 N HA 0.264 5.004 4.740 -0.000 0.000 0.257 158 N C -1.678 173.574 175.510 -0.431 0.000 1.373 158 N CA -0.595 52.324 53.050 -0.218 0.000 0.843 158 N CB 1.582 39.943 38.487 -0.211 0.000 1.503 158 N HN 0.394 nan 8.380 nan 0.000 0.504 159 Y N 0.370 120.557 120.300 -0.188 0.000 2.299 159 Y HA 0.457 5.006 4.550 -0.000 0.000 0.326 159 Y C -0.073 175.585 175.900 -0.403 0.000 1.164 159 Y CA 0.173 58.221 58.100 -0.087 0.000 1.234 159 Y CB 0.605 39.120 38.460 0.091 0.000 1.219 159 Y HN 0.320 nan 8.280 nan 0.000 0.497 160 F N 2.574 122.387 119.950 -0.229 0.000 2.561 160 F HA 0.412 4.939 4.527 -0.000 0.000 0.321 160 F C -0.796 174.917 175.800 -0.146 0.000 1.065 160 F CA -1.289 56.519 58.000 -0.320 0.000 0.934 160 F CB 1.353 39.920 39.000 -0.722 0.000 1.215 160 F HN 0.255 nan 8.300 nan 0.000 0.471 161 F N 2.321 122.340 119.950 0.115 0.000 2.436 161 F HA 0.506 5.033 4.527 -0.000 0.000 0.340 161 F C 0.368 176.336 175.800 0.281 0.000 1.113 161 F CA -1.336 56.785 58.000 0.201 0.000 1.022 161 F CB 1.073 40.257 39.000 0.306 0.000 1.128 161 F HN 0.397 nan 8.300 nan 0.000 0.466 162 R N 7.037 127.337 120.500 -0.333 0.000 3.572 162 R HA 0.022 4.362 4.340 -0.000 0.000 0.186 162 R C 1.352 177.286 176.300 -0.611 0.000 1.727 162 R CA 0.052 55.987 56.100 -0.275 0.000 1.267 162 R CB -0.264 29.983 30.300 -0.089 0.000 1.318 162 R HN 0.891 nan 8.270 nan 0.000 0.718 163 M N 0.785 120.096 119.600 -0.482 0.000 2.123 163 M HA -0.168 4.312 4.480 -0.000 0.000 0.263 163 M C 1.940 178.262 176.300 0.037 0.000 1.069 163 M CA 1.761 56.948 55.300 -0.188 0.000 1.133 163 M CB 0.107 32.736 32.600 0.049 0.000 1.356 163 M HN 0.258 nan 8.290 nan 0.000 0.415 164 E N 1.173 121.379 120.200 0.009 0.000 2.130 164 E HA -0.298 4.052 4.350 -0.000 0.000 0.196 164 E C 1.786 178.382 176.600 -0.007 0.000 0.998 164 E CA 2.074 58.490 56.400 0.027 0.000 0.806 164 E CB -0.428 29.275 29.700 0.005 0.000 0.738 164 E HN 0.570 nan 8.360 nan 0.000 0.459 165 K N -1.006 119.336 120.400 -0.097 0.000 2.160 165 K HA -0.207 4.113 4.320 -0.000 0.000 0.206 165 K C 1.083 177.491 176.600 -0.320 0.000 1.047 165 K CA 1.565 57.702 56.287 -0.249 0.000 0.930 165 K CB -0.277 31.980 32.500 -0.404 0.000 0.720 165 K HN 0.283 nan 8.250 nan 0.000 0.450 166 Y N 0.119 120.448 120.300 0.050 0.000 2.457 166 Y HA 0.174 4.724 4.550 -0.000 0.000 0.263 166 Y C 2.088 178.158 175.900 0.284 0.000 1.164 166 Y CA -0.055 58.157 58.100 0.186 0.000 1.274 166 Y CB 0.170 38.744 38.460 0.191 0.000 1.097 166 Y HN 0.061 nan 8.280 nan 0.000 0.523 167 R N 1.085 121.736 120.500 0.252 0.000 2.073 167 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 167 R C -0.912 175.481 176.300 0.156 0.000 1.134 167 R CA 1.719 57.937 56.100 0.197 0.000 0.952 167 R CB -1.027 29.345 30.300 0.121 0.000 0.850 167 R HN 0.170 nan 8.270 nan 0.000 0.433 168 P HA -0.162 nan 4.420 nan 0.000 0.216 168 P C 0.440 177.819 177.300 0.132 0.000 1.153 168 P CA 1.081 64.240 63.100 0.099 0.000 0.848 168 P CB -0.275 31.471 31.700 0.077 0.000 0.787 169 W N 0.072 121.418 121.300 0.077 0.000 2.358 169 W HA -0.121 4.539 4.660 -0.000 0.000 0.303 169 W C 1.880 178.482 176.519 0.138 0.000 1.208 169 W CA 1.098 58.510 57.345 0.113 0.000 1.274 169 W CB -0.932 28.620 29.460 0.154 0.000 1.138 169 W HN -0.192 nan 8.180 nan 0.000 0.515 170 L N 0.721 121.836 121.223 -0.181 0.000 2.056 170 L HA -0.243 4.097 4.340 -0.000 0.000 0.207 170 L C 2.543 179.230 176.870 -0.304 0.000 1.078 170 L CA 1.916 56.451 54.840 -0.508 0.000 0.749 170 L CB -0.670 41.379 42.059 -0.017 0.000 0.901 170 L HN 0.153 nan 8.230 nan 0.000 0.433 171 Q N -0.456 119.268 119.800 -0.128 0.000 2.061 171 Q HA -0.317 4.023 4.340 -0.000 0.000 0.204 171 Q C 2.017 177.942 176.000 -0.124 0.000 0.984 171 Q CA 2.185 57.937 55.803 -0.084 0.000 0.846 171 Q CB -0.148 28.573 28.738 -0.030 0.000 0.902 171 Q HN 0.529 nan 8.270 nan 0.000 0.421 172 E N -0.184 119.929 120.200 -0.144 0.000 2.077 172 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 172 E C 1.782 178.259 176.600 -0.205 0.000 0.989 172 E CA 0.825 57.142 56.400 -0.137 0.000 0.800 172 E CB -0.110 29.538 29.700 -0.085 0.000 0.746 172 E HN 0.373 nan 8.360 nan 0.000 0.452 173 Y N 0.852 120.856 120.300 -0.493 0.000 2.181 173 Y HA -0.169 4.381 4.550 -0.000 0.000 0.288 173 Y C 1.953 177.658 175.900 -0.325 0.000 1.146 173 Y CA 1.713 59.512 58.100 -0.502 0.000 1.164 173 Y CB 0.032 37.923 38.460 -0.948 0.000 0.982 173 Y HN 0.056 nan 8.280 nan 0.000 0.515 174 I N -0.259 120.207 120.570 -0.172 0.000 2.252 174 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 174 I C 2.204 178.231 176.117 -0.151 0.000 1.102 174 I CA 1.418 62.642 61.300 -0.126 0.000 1.385 174 I CB -0.451 37.511 38.000 -0.064 0.000 1.064 174 I HN 0.300 nan 8.210 nan 0.000 0.414 175 Q N 0.623 120.337 119.800 -0.143 0.000 2.084 175 Q HA -0.227 4.113 4.340 -0.000 0.000 0.202 175 Q C 1.918 177.828 176.000 -0.150 0.000 0.978 175 Q CA 1.514 57.246 55.803 -0.119 0.000 0.844 175 Q CB -0.068 28.614 28.738 -0.094 0.000 0.898 175 Q HN 0.509 nan 8.270 nan 0.000 0.426 176 E N 0.106 120.177 120.200 -0.216 0.000 2.427 176 E HA -0.005 4.345 4.350 -0.000 0.000 0.196 176 E C -0.087 176.337 176.600 -0.292 0.000 1.028 176 E CA 0.201 56.457 56.400 -0.239 0.000 0.864 176 E CB 0.311 29.849 29.700 -0.270 0.000 0.813 176 E HN 0.260 nan 8.360 nan 0.000 0.514 177 N N 1.032 119.527 118.700 -0.341 0.000 2.790 177 N HA 0.091 4.831 4.740 -0.000 0.000 0.256 177 N C -2.215 173.189 175.510 -0.176 0.000 1.409 177 N CA -0.868 51.997 53.050 -0.308 0.000 0.799 177 N CB 1.438 39.626 38.487 -0.498 0.000 1.170 177 N HN 0.041 nan 8.380 nan 0.000 0.507 178 P HA -0.067 nan 4.420 nan 0.000 0.222 178 P C 0.174 177.456 177.300 -0.030 0.000 1.147 178 P CA 1.153 64.213 63.100 -0.066 0.000 0.790 178 P CB 0.538 32.205 31.700 -0.056 0.000 0.780 179 D N -0.858 119.527 120.400 -0.025 0.000 2.340 179 D HA 0.040 4.680 4.640 -0.000 0.000 0.217 179 D C 1.771 178.117 176.300 0.077 0.000 1.081 179 D CA -0.137 53.885 54.000 0.037 0.000 0.842 179 D CB -0.096 40.751 40.800 0.078 0.000 0.934 179 D HN 0.101 nan 8.370 nan 0.000 0.511 180 L N 0.480 121.699 121.223 -0.007 0.000 2.017 180 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 180 L C 0.587 177.539 176.870 0.137 0.000 1.073 180 L CA 1.529 56.370 54.840 0.003 0.000 0.745 180 L CB 0.033 42.100 42.059 0.013 0.000 0.894 180 L HN -0.135 nan 8.230 nan 0.000 0.432 181 I N 1.697 122.340 120.570 0.122 0.000 2.339 181 I HA 0.331 4.500 4.170 -0.000 0.000 0.290 181 I C -0.402 175.784 176.117 0.114 0.000 0.994 181 I CA -0.529 60.854 61.300 0.138 0.000 1.191 181 I CB 0.809 38.894 38.000 0.141 0.000 1.343 181 I HN 0.219 nan 8.210 nan 0.000 0.458 182 R N 5.109 125.674 120.500 0.109 0.000 2.740 182 R HA 0.652 4.992 4.340 -0.000 0.000 0.273 182 R C -3.310 173.106 176.300 0.194 0.000 0.998 182 R CA -2.093 54.072 56.100 0.109 0.000 0.900 182 R CB 1.356 31.663 30.300 0.011 0.000 1.223 182 R HN 0.112 nan 8.270 nan 0.000 0.466 183 P HA -0.036 nan 4.420 nan 0.000 0.270 183 P C 0.409 177.771 177.300 0.104 0.000 1.227 183 P CA -0.104 63.089 63.100 0.153 0.000 0.788 183 P CB 0.610 32.382 31.700 0.120 0.000 0.926 184 E N 1.272 121.479 120.200 0.012 0.000 2.130 184 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 184 E C 2.063 178.625 176.600 -0.062 0.000 0.998 184 E CA 1.802 58.193 56.400 -0.015 0.000 0.806 184 E CB -0.877 28.802 29.700 -0.035 0.000 0.738 184 E HN 0.660 nan 8.360 nan 0.000 0.459 185 G N -0.478 108.220 108.800 -0.170 0.000 2.475 185 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.220 185 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.220 185 G C 0.989 175.717 174.900 -0.287 0.000 1.125 185 G CA 1.119 46.052 45.100 -0.278 0.000 0.755 185 G HN 0.313 nan 8.290 nan 0.000 0.565 186 Y N 0.032 120.310 120.300 -0.037 0.000 2.314 186 Y HA 0.069 4.619 4.550 -0.000 0.000 0.293 186 Y C 2.789 178.682 175.900 -0.011 0.000 1.129 186 Y CA 0.938 59.020 58.100 -0.030 0.000 1.201 186 Y CB -0.322 38.120 38.460 -0.031 0.000 0.999 186 Y HN 0.128 nan 8.280 nan 0.000 0.541 187 R N 0.648 121.220 120.500 0.121 0.000 2.073 187 R HA -0.176 4.164 4.340 -0.000 0.000 0.234 187 R C 1.736 178.057 176.300 0.036 0.000 1.134 187 R CA 1.824 57.967 56.100 0.073 0.000 0.952 187 R CB -0.167 30.158 30.300 0.041 0.000 0.850 187 R HN 0.281 nan 8.270 nan 0.000 0.433 188 N N 0.759 119.460 118.700 0.003 0.000 2.166 188 N HA -0.201 4.539 4.740 -0.000 0.000 0.186 188 N C 1.541 177.050 175.510 -0.001 0.000 1.019 188 N CA 1.302 54.344 53.050 -0.012 0.000 0.856 188 N CB -0.248 38.215 38.487 -0.039 0.000 0.993 188 N HN 0.456 nan 8.380 nan 0.000 0.426 189 E N 0.747 120.952 120.200 0.008 0.000 2.106 189 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 189 E C 1.730 178.357 176.600 0.044 0.000 0.984 189 E CA 0.656 57.071 56.400 0.025 0.000 0.806 189 E CB 0.237 29.968 29.700 0.050 0.000 0.750 189 E HN 0.014 nan 8.360 nan 0.000 0.458 190 V N 1.319 121.270 119.914 0.061 0.000 2.307 190 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 190 V C 2.446 178.565 176.094 0.041 0.000 1.045 190 V CA 1.377 63.712 62.300 0.057 0.000 1.024 190 V CB -0.406 31.462 31.823 0.074 0.000 0.651 190 V HN 0.338 nan 8.190 nan 0.000 0.449 191 L N 0.091 121.331 121.223 0.028 0.000 2.079 191 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 191 L C 2.678 179.559 176.870 0.018 0.000 1.081 191 L CA 1.550 56.400 54.840 0.015 0.000 0.752 191 L CB -0.735 41.325 42.059 0.002 0.000 0.896 191 L HN 0.380 nan 8.230 nan 0.000 0.433 192 A N -0.426 122.405 122.820 0.019 0.000 1.930 192 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 192 A C 2.288 179.890 177.584 0.030 0.000 1.175 192 A CA 1.507 53.555 52.037 0.019 0.000 0.627 192 A CB -0.413 18.596 19.000 0.015 0.000 0.815 192 A HN 0.334 nan 8.150 nan 0.000 0.443 193 M N -0.611 119.011 119.600 0.037 0.000 2.159 193 M HA -0.056 4.424 4.480 -0.000 0.000 0.263 193 M C 1.435 177.769 176.300 0.055 0.000 1.063 193 M CA 1.210 56.538 55.300 0.048 0.000 1.110 193 M CB -0.320 32.310 32.600 0.049 0.000 1.374 193 M HN 0.324 nan 8.290 nan 0.000 0.411 194 L N -0.657 120.596 121.223 0.050 0.000 2.591 194 L HA 0.099 4.439 4.340 -0.000 0.000 0.228 194 L C 2.389 179.283 176.870 0.040 0.000 1.133 194 L CA -0.278 54.594 54.840 0.054 0.000 0.880 194 L CB -0.640 41.448 42.059 0.048 0.000 1.033 194 L HN 0.214 nan 8.230 nan 0.000 0.450 195 A N -0.121 122.719 122.820 0.033 0.000 2.067 195 A HA -0.041 4.279 4.320 -0.000 0.000 0.219 195 A C 0.914 178.514 177.584 0.027 0.000 1.158 195 A CA 1.033 53.085 52.037 0.025 0.000 0.661 195 A CB -0.034 18.978 19.000 0.020 0.000 0.801 195 A HN 0.427 nan 8.150 nan 0.000 0.452 196 E N -1.289 118.932 120.200 0.035 0.000 2.410 196 E HA 0.403 4.753 4.350 -0.000 0.000 0.269 196 E C -2.845 173.780 176.600 0.043 0.000 0.937 196 E CA -2.740 53.681 56.400 0.034 0.000 0.793 196 E CB 1.197 30.917 29.700 0.034 0.000 1.314 196 E HN -0.080 nan 8.360 nan 0.000 0.447 197 P HA -0.040 nan 4.420 nan 0.000 0.265 197 P C 0.093 177.429 177.300 0.059 0.000 1.187 197 P CA 0.610 63.735 63.100 0.041 0.000 0.766 197 P CB 0.266 31.982 31.700 0.026 0.000 0.820 198 I N -0.740 119.875 120.570 0.075 0.000 4.018 198 I HA 0.376 4.546 4.170 -0.000 0.000 0.337 198 I C 0.886 177.058 176.117 0.091 0.000 1.327 198 I CA -0.203 61.160 61.300 0.104 0.000 1.100 198 I CB -0.482 37.608 38.000 0.150 0.000 1.025 198 I HN 0.500 nan 8.210 nan 0.000 0.396 199 G N 2.150 110.985 108.800 0.059 0.000 2.697 199 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.240 199 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.240 199 G C -0.937 173.992 174.900 0.049 0.000 1.346 199 G CA 0.088 45.213 45.100 0.041 0.000 0.887 199 G HN 0.440 nan 8.290 nan 0.000 0.569 200 D N -0.969 119.468 120.400 0.061 0.000 2.385 200 D HA 0.619 5.259 4.640 -0.000 0.000 0.254 200 D C -0.017 176.374 176.300 0.152 0.000 1.053 200 D CA -0.410 53.657 54.000 0.111 0.000 0.992 200 D CB 1.748 42.663 40.800 0.192 0.000 1.145 200 D HN 0.470 nan 8.370 nan 0.000 0.523 201 L N 0.568 121.907 121.223 0.193 0.000 2.287 201 L HA 0.290 4.629 4.340 -0.000 0.000 0.287 201 L C -0.151 176.811 176.870 0.154 0.000 1.022 201 L CA -0.321 54.582 54.840 0.105 0.000 0.814 201 L CB 1.457 43.520 42.059 0.007 0.000 1.217 201 L HN 0.181 nan 8.230 nan 0.000 0.420 202 S N 4.902 120.603 115.700 0.002 0.000 2.498 202 S HA 0.260 4.730 4.470 -0.000 0.000 0.281 202 S C 0.952 175.583 174.600 0.052 0.000 1.265 202 S CA -0.157 57.790 58.200 -0.421 0.000 1.071 202 S CB -0.058 62.904 63.200 -0.396 0.000 0.894 202 S HN 0.609 nan 8.310 nan 0.000 0.491 203 I N 2.467 123.030 120.570 -0.012 0.000 4.240 203 I HA 0.413 4.583 4.170 -0.000 0.000 0.331 203 I C 0.155 176.396 176.117 0.206 0.000 1.381 203 I CA -0.541 60.919 61.300 0.268 0.000 1.136 203 I CB 0.216 38.361 38.000 0.242 0.000 1.137 203 I HN 0.504 nan 8.210 nan 0.000 0.411 204 S N 0.387 116.145 115.700 0.097 0.000 2.638 204 S HA 0.745 5.215 4.470 -0.000 0.000 0.274 204 S C -0.866 173.775 174.600 0.068 0.000 1.157 204 S CA -0.874 57.417 58.200 0.152 0.000 0.826 204 S CB 2.564 65.909 63.200 0.242 0.000 1.139 204 S HN 0.195 nan 8.310 nan 0.000 0.474 205 R N 0.624 121.180 120.500 0.094 0.000 2.668 205 R HA 0.607 4.947 4.340 -0.000 0.000 0.272 205 R C -3.200 172.993 176.300 -0.177 0.000 1.019 205 R CA -2.122 53.951 56.100 -0.045 0.000 0.894 205 R CB 1.735 31.986 30.300 -0.083 0.000 1.228 205 R HN 0.600 nan 8.270 nan 0.000 0.460 206 P HA 0.026 nan 4.420 nan 0.000 0.268 206 P C 0.213 177.343 177.300 -0.283 0.000 1.205 206 P CA -0.032 62.708 63.100 -0.602 0.000 0.771 206 P CB 1.007 32.479 31.700 -0.380 0.000 0.858 207 K N 2.630 122.879 120.400 -0.251 0.000 2.209 207 K HA -0.132 4.188 4.320 -0.000 0.000 0.204 207 K C 1.833 178.362 176.600 -0.118 0.000 1.048 207 K CA 1.767 57.961 56.287 -0.155 0.000 0.940 207 K CB -0.237 32.185 32.500 -0.130 0.000 0.729 207 K HN 0.501 nan 8.250 nan 0.000 0.451 208 S N -0.086 115.553 115.700 -0.102 0.000 2.419 208 S HA -0.104 4.366 4.470 -0.000 0.000 0.233 208 S C 1.795 176.370 174.600 -0.042 0.000 1.016 208 S CA 0.756 58.923 58.200 -0.055 0.000 0.974 208 S CB -0.078 63.104 63.200 -0.030 0.000 0.786 208 S HN 0.274 nan 8.310 nan 0.000 0.492 209 R N 0.324 120.791 120.500 -0.055 0.000 2.142 209 R HA 0.402 4.742 4.340 -0.000 0.000 0.204 209 R C -0.071 176.204 176.300 -0.041 0.000 1.059 209 R CA 0.513 56.596 56.100 -0.029 0.000 1.055 209 R CB 0.218 30.508 30.300 -0.017 0.000 0.976 209 R HN 0.346 nan 8.270 nan 0.000 0.483 210 V N 3.300 123.172 119.914 -0.070 0.000 2.315 210 V HA 0.252 4.372 4.120 -0.000 0.000 0.265 210 V C -1.998 174.014 176.094 -0.137 0.000 1.019 210 V CA -1.070 61.187 62.300 -0.072 0.000 0.824 210 V CB 1.610 33.441 31.823 0.013 0.000 1.072 210 V HN 0.134 nan 8.190 nan 0.000 0.448 211 P HA -0.102 nan 4.420 nan 0.000 0.225 211 P C 0.594 177.826 177.300 -0.113 0.000 1.156 211 P CA 0.606 63.579 63.100 -0.212 0.000 0.787 211 P CB 0.516 32.046 31.700 -0.284 0.000 0.802 212 W N 1.799 122.865 121.300 -0.389 0.000 2.365 212 W HA 0.453 5.113 4.660 -0.000 0.000 0.371 212 W C -0.604 175.833 176.519 -0.137 0.000 1.006 212 W CA 0.194 57.428 57.345 -0.185 0.000 1.528 212 W CB 0.389 29.812 29.460 -0.061 0.000 1.497 212 W HN -0.035 nan 8.180 nan 0.000 0.367 213 G N 3.833 112.271 108.800 -0.604 0.000 2.328 213 G HA2 0.215 4.174 3.960 -0.000 0.000 0.295 213 G HA3 0.215 4.174 3.960 -0.000 0.000 0.295 213 G C -1.731 172.730 174.900 -0.731 0.000 1.413 213 G CA -1.168 43.433 45.100 -0.831 0.000 0.817 213 G HN 0.274 nan 8.290 nan 0.000 0.546 214 I N 2.882 123.055 120.570 -0.661 0.000 2.379 214 I HA 0.255 4.425 4.170 -0.000 0.000 0.290 214 I C -1.662 174.257 176.117 -0.331 0.000 1.063 214 I CA -1.591 59.445 61.300 -0.441 0.000 1.351 214 I CB 1.416 39.208 38.000 -0.345 0.000 1.410 214 I HN 0.166 nan 8.210 nan 0.000 0.505 215 P HA 0.088 nan 4.420 nan 0.000 0.272 215 P C -0.495 176.563 177.300 -0.403 0.000 1.223 215 P CA -0.243 62.679 63.100 -0.296 0.000 0.784 215 P CB 0.724 32.279 31.700 -0.242 0.000 0.923 216 L N 4.299 125.194 121.223 -0.545 0.000 2.455 216 L HA 0.057 4.397 4.340 -0.000 0.000 0.272 216 L C -1.115 175.201 176.870 -0.924 0.000 1.174 216 L CA -1.470 52.774 54.840 -0.993 0.000 0.869 216 L CB 0.012 41.157 42.059 -1.522 0.000 1.130 216 L HN 0.251 nan 8.230 nan 0.000 0.474 217 P HA -0.167 nan 4.420 nan 0.000 0.219 217 P C 0.800 177.909 177.300 -0.317 0.000 1.146 217 P CA 1.427 64.285 63.100 -0.404 0.000 0.808 217 P CB 0.062 31.662 31.700 -0.166 0.000 0.779 218 W N -2.304 118.764 121.300 -0.386 0.000 3.278 218 W HA 0.409 5.069 4.660 -0.000 0.000 0.308 218 W C -0.509 175.839 176.519 -0.285 0.000 1.253 218 W CA -0.075 57.048 57.345 -0.369 0.000 1.759 218 W CB -0.213 28.860 29.460 -0.645 0.000 1.093 218 W HN -0.213 nan 8.180 nan 0.000 0.648 219 D N 1.087 121.118 120.400 -0.615 0.000 2.351 219 D HA 0.012 4.652 4.640 -0.000 0.000 0.235 219 D C 0.751 176.887 176.300 -0.274 0.000 1.331 219 D CA -0.047 53.764 54.000 -0.315 0.000 0.959 219 D CB 0.952 41.603 40.800 -0.249 0.000 1.432 219 D HN -0.141 nan 8.370 nan 0.000 0.544 220 E N 1.363 121.460 120.200 -0.170 0.000 2.463 220 E HA -0.050 4.300 4.350 -0.000 0.000 0.201 220 E C 0.534 177.082 176.600 -0.086 0.000 1.045 220 E CA 0.506 56.820 56.400 -0.142 0.000 0.872 220 E CB -0.036 29.602 29.700 -0.103 0.000 0.797 220 E HN 0.564 nan 8.360 nan 0.000 0.538 221 N N -0.131 118.561 118.700 -0.015 0.000 2.322 221 N HA -0.004 4.736 4.740 -0.000 0.000 0.194 221 N C -0.052 175.437 175.510 -0.036 0.000 1.126 221 N CA 0.107 53.159 53.050 0.003 0.000 0.845 221 N CB 0.381 38.904 38.487 0.061 0.000 0.976 221 N HN 0.091 nan 8.380 nan 0.000 0.475 222 H N -0.174 118.842 119.070 -0.089 0.000 2.717 222 H HA 0.356 4.912 4.556 -0.000 0.000 0.366 222 H C -0.973 174.252 175.328 -0.172 0.000 1.132 222 H CA -0.624 55.382 56.048 -0.069 0.000 1.180 222 H CB 2.337 32.130 29.762 0.053 0.000 1.678 222 H HN -0.232 nan 8.280 nan 0.000 0.537 223 V N 2.337 122.215 119.914 -0.059 0.000 2.581 223 V HA 0.120 4.240 4.120 -0.000 0.000 0.303 223 V C 0.350 176.403 176.094 -0.068 0.000 1.041 223 V CA -0.756 61.470 62.300 -0.124 0.000 0.907 223 V CB 1.968 33.706 31.823 -0.141 0.000 0.994 223 V HN 0.813 nan 8.190 nan 0.000 0.442 224 T N 4.842 119.316 114.554 -0.133 0.000 2.867 224 T HA 0.126 4.476 4.350 -0.000 0.000 0.297 224 T C -0.470 174.238 174.700 0.014 0.000 0.989 224 T CA 0.571 62.631 62.100 -0.067 0.000 1.159 224 T CB -0.319 68.479 68.868 -0.116 0.000 0.928 224 T HN 0.470 nan 8.240 nan 0.000 0.538 225 F N 6.317 126.218 119.950 -0.082 0.000 2.293 225 F HA 0.459 4.986 4.527 -0.000 0.000 0.370 225 F C 0.793 176.438 175.800 -0.257 0.000 1.090 225 F CA -0.595 57.329 58.000 -0.127 0.000 1.133 225 F CB -0.624 38.321 39.000 -0.092 0.000 1.360 225 F HN 0.499 nan 8.300 nan 0.000 0.489 226 V N 4.152 123.582 119.914 -0.807 0.000 0.651 226 V HA -0.517 3.603 4.120 -0.000 0.000 0.092 226 V C 1.970 177.693 176.094 -0.618 0.000 1.306 226 V CA 2.021 63.716 62.300 -1.007 0.000 3.223 226 V CB -2.084 28.561 31.823 -1.965 0.000 0.459 226 V HN 0.836 nan 8.190 nan 0.000 0.455 227 W N 0.054 121.289 121.300 -0.107 0.000 2.298 227 W HA -0.175 4.484 4.660 -0.000 0.000 0.328 227 W C 2.252 178.689 176.519 -0.136 0.000 1.259 227 W CA 1.679 58.984 57.345 -0.068 0.000 1.251 227 W CB -0.790 28.685 29.460 0.025 0.000 1.161 227 W HN 0.404 nan 8.180 nan 0.000 0.466 228 F N 0.184 120.202 119.950 0.113 0.000 2.699 228 F HA -0.103 4.424 4.527 -0.000 0.000 0.298 228 F C 1.930 177.691 175.800 -0.064 0.000 1.154 228 F CA 1.413 59.420 58.000 0.011 0.000 1.457 228 F CB -0.528 38.465 39.000 -0.012 0.000 1.106 228 F HN -0.075 nan 8.300 nan 0.000 0.585 229 D N -0.266 120.160 120.400 0.044 0.000 2.584 229 D HA 0.024 4.664 4.640 -0.000 0.000 0.254 229 D C 2.305 178.625 176.300 0.033 0.000 1.085 229 D CA 1.232 55.254 54.000 0.036 0.000 0.971 229 D CB -0.526 40.283 40.800 0.014 0.000 1.103 229 D HN 0.002 nan 8.370 nan 0.000 0.453 230 A N 1.019 123.759 122.820 -0.134 0.000 1.865 230 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 230 A C 2.639 179.958 177.584 -0.441 0.000 1.191 230 A CA 1.578 53.449 52.037 -0.278 0.000 0.623 230 A CB -1.151 17.668 19.000 -0.302 0.000 0.826 230 A HN 0.405 nan 8.150 nan 0.000 0.444 231 L N -0.669 120.273 121.223 -0.468 0.000 2.127 231 L HA -0.158 4.182 4.340 -0.000 0.000 0.211 231 L C 2.290 178.593 176.870 -0.946 0.000 1.089 231 L CA 0.806 55.124 54.840 -0.869 0.000 0.757 231 L CB -0.451 41.121 42.059 -0.812 0.000 0.899 231 L HN 0.373 nan 8.230 nan 0.000 0.434 232 L N 0.776 121.743 121.223 -0.426 0.000 2.549 232 L HA -0.153 4.187 4.340 -0.000 0.000 0.229 232 L C 2.402 179.226 176.870 -0.076 0.000 1.158 232 L CA 0.512 55.246 54.840 -0.176 0.000 0.842 232 L CB -0.691 41.304 42.059 -0.106 0.000 0.952 232 L HN 0.566 nan 8.230 nan 0.000 0.452 233 N N 0.056 118.632 118.700 -0.206 0.000 2.205 233 N HA -0.296 4.444 4.740 -0.000 0.000 0.186 233 N C 1.596 177.082 175.510 -0.040 0.000 1.015 233 N CA 1.548 54.486 53.050 -0.186 0.000 0.862 233 N CB -0.500 37.686 38.487 -0.502 0.000 0.986 233 N HN 0.301 nan 8.380 nan 0.000 0.429 234 Y N 1.190 121.538 120.300 0.080 0.000 2.403 234 Y HA -0.065 4.485 4.550 -0.000 0.000 0.291 234 Y C 2.576 178.745 175.900 0.449 0.000 1.143 234 Y CA 1.013 59.337 58.100 0.374 0.000 1.257 234 Y CB -0.450 38.349 38.460 0.564 0.000 0.984 234 Y HN 0.181 nan 8.280 nan 0.000 0.550 235 V N -4.332 115.753 119.914 0.284 0.000 3.455 235 V HA 0.064 4.184 4.120 -0.000 0.000 0.250 235 V C 2.000 178.156 176.094 0.104 0.000 1.230 235 V CA 0.711 63.073 62.300 0.103 0.000 1.105 235 V CB -0.230 31.391 31.823 -0.337 0.000 0.850 235 V HN 0.291 nan 8.190 nan 0.000 0.461 236 S N 2.358 118.114 115.700 0.093 0.000 2.382 236 S HA -0.010 4.460 4.470 -0.000 0.000 0.228 236 S C 2.081 176.767 174.600 0.144 0.000 1.027 236 S CA 1.493 59.760 58.200 0.112 0.000 0.991 236 S CB -0.724 62.572 63.200 0.161 0.000 0.823 236 S HN 1.116 nan 8.310 nan 0.000 0.469 237 A N 1.516 124.442 122.820 0.177 0.000 2.070 237 A HA 0.249 4.569 4.320 -0.000 0.000 0.220 237 A C 2.046 179.699 177.584 0.114 0.000 1.159 237 A CA 1.008 53.157 52.037 0.186 0.000 0.656 237 A CB -0.685 18.485 19.000 0.284 0.000 0.800 237 A HN 0.605 nan 8.150 nan 0.000 0.453 238 L N -1.104 120.173 121.223 0.090 0.000 2.611 238 L HA 0.099 4.439 4.340 -0.000 0.000 0.229 238 L C 0.500 177.430 176.870 0.100 0.000 1.137 238 L CA 0.332 55.186 54.840 0.023 0.000 0.901 238 L CB -0.279 41.850 42.059 0.116 0.000 1.098 238 L HN 0.374 nan 8.230 nan 0.000 0.456 239 D N -0.845 119.610 120.400 0.091 0.000 2.746 239 D HA -0.321 4.318 4.640 -0.000 0.000 0.236 239 D C 0.988 177.300 176.300 0.020 0.000 1.129 239 D CA 0.676 54.712 54.000 0.060 0.000 0.691 239 D CB -0.938 39.893 40.800 0.052 0.000 1.077 239 D HN 0.450 nan 8.370 nan 0.000 0.432 240 Y N 0.058 120.264 120.300 -0.157 0.000 2.044 240 Y HA -0.376 4.174 4.550 -0.000 0.000 0.212 240 Y C -1.126 174.377 175.900 -0.661 0.000 1.239 240 Y CA 3.025 60.807 58.100 -0.529 0.000 0.969 240 Y CB -2.148 36.014 38.460 -0.498 0.000 0.768 240 Y HN 0.294 nan 8.280 nan 0.000 0.544 241 P HA -0.250 nan 4.420 nan 0.000 0.207 241 P C 0.729 177.701 177.300 -0.546 0.000 1.115 241 P CA 3.184 65.635 63.100 -1.082 0.000 0.956 241 P CB -0.247 31.143 31.700 -0.517 0.000 0.774 242 E N -1.656 118.398 120.200 -0.244 0.000 2.660 242 E HA 0.295 4.645 4.350 -0.000 0.000 0.216 242 E C 0.812 177.420 176.600 0.013 0.000 0.986 242 E CA -0.330 56.028 56.400 -0.069 0.000 1.037 242 E CB -0.286 29.375 29.700 -0.065 0.000 1.041 242 E HN 0.058 nan 8.360 nan 0.000 0.480 243 G N 1.418 110.232 108.800 0.022 0.000 2.559 243 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.235 243 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.235 243 G C 0.414 175.376 174.900 0.102 0.000 1.266 243 G CA -0.235 44.903 45.100 0.063 0.000 0.847 243 G HN 0.212 nan 8.290 nan 0.000 0.583 244 E N 1.366 121.608 120.200 0.069 0.000 2.150 244 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 244 E C 2.649 179.277 176.600 0.047 0.000 0.985 244 E CA 0.983 57.411 56.400 0.048 0.000 0.814 244 E CB -0.065 29.653 29.700 0.029 0.000 0.752 244 E HN 0.538 nan 8.360 nan 0.000 0.466 245 A N 0.728 123.603 122.820 0.091 0.000 1.908 245 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 245 A C 2.053 179.732 177.584 0.159 0.000 1.181 245 A CA 1.665 53.790 52.037 0.146 0.000 0.627 245 A CB -0.985 18.030 19.000 0.025 0.000 0.818 245 A HN 0.542 nan 8.150 nan 0.000 0.445 246 Y N 0.503 120.833 120.300 0.050 0.000 2.114 246 Y HA -0.220 4.330 4.550 -0.000 0.000 0.284 246 Y C 2.472 178.459 175.900 0.145 0.000 1.143 246 Y CA 2.190 60.361 58.100 0.119 0.000 1.135 246 Y CB -0.496 38.026 38.460 0.104 0.000 0.980 246 Y HN 0.263 nan 8.280 nan 0.000 0.499 247 R N -0.748 119.715 120.500 -0.061 0.000 2.105 247 R HA -0.138 4.202 4.340 -0.000 0.000 0.239 247 R C 2.209 178.415 176.300 -0.157 0.000 1.135 247 R CA 2.058 58.065 56.100 -0.156 0.000 0.967 247 R CB -0.520 29.765 30.300 -0.024 0.000 0.861 247 R HN 0.337 nan 8.270 nan 0.000 0.442 248 T N -0.219 114.228 114.554 -0.178 0.000 2.770 248 T HA -0.002 4.348 4.350 -0.000 0.000 0.258 248 T C 1.256 175.760 174.700 -0.326 0.000 1.039 248 T CA 1.123 63.026 62.100 -0.329 0.000 1.143 248 T CB -0.109 68.393 68.868 -0.609 0.000 0.866 248 T HN 0.058 nan 8.240 nan 0.000 0.428 249 F N -0.261 119.665 119.950 -0.040 0.000 2.317 249 F HA 0.251 4.778 4.527 -0.000 0.000 0.293 249 F C 2.183 178.008 175.800 0.043 0.000 1.085 249 F CA -0.430 57.539 58.000 -0.052 0.000 1.390 249 F CB -0.561 38.166 39.000 -0.456 0.000 1.077 249 F HN 0.243 nan 8.300 nan 0.000 0.517 250 W N 3.236 124.538 121.300 0.003 0.000 2.325 250 W HA -0.168 4.492 4.660 -0.000 0.000 0.299 250 W C -1.100 175.457 176.519 0.062 0.000 1.215 250 W CA 1.425 58.822 57.345 0.087 0.000 1.244 250 W CB -1.375 28.019 29.460 -0.111 0.000 1.140 250 W HN 0.019 nan 8.180 nan 0.000 0.523 251 P HA -0.121 nan 4.420 nan 0.000 0.228 251 P C -0.169 176.766 177.300 -0.608 0.000 1.151 251 P CA 1.716 64.565 63.100 -0.419 0.000 0.770 251 P CB -0.247 31.197 31.700 -0.427 0.000 0.786 252 H N -2.269 116.782 119.070 -0.032 0.000 2.662 252 H HA 0.454 5.010 4.556 -0.000 0.000 0.268 252 H C 0.381 175.752 175.328 0.070 0.000 1.152 252 H CA -0.541 55.548 56.048 0.069 0.000 1.072 252 H CB -0.059 29.770 29.762 0.111 0.000 1.660 252 H HN -0.038 nan 8.280 nan 0.000 0.584 253 A N 0.848 123.625 122.820 -0.071 0.000 2.545 253 A HA 0.081 4.401 4.320 -0.000 0.000 0.253 253 A C -0.910 176.570 177.584 -0.173 0.000 1.074 253 A CA 0.152 52.036 52.037 -0.255 0.000 0.760 253 A CB -0.181 18.288 19.000 -0.885 0.000 1.005 253 A HN 0.397 nan 8.150 nan 0.000 0.506 254 W N 1.531 122.447 121.300 -0.639 0.000 2.471 254 W HA 0.482 5.142 4.660 -0.000 0.000 0.318 254 W C -0.133 176.020 176.519 -0.611 0.000 1.034 254 W CA -0.406 56.639 57.345 -0.498 0.000 1.224 254 W CB 0.816 30.032 29.460 -0.407 0.000 1.335 254 W HN 0.735 nan 8.180 nan 0.000 0.452 255 H N 2.924 121.849 119.070 -0.241 0.000 2.459 255 H HA 0.530 5.086 4.556 -0.000 0.000 0.332 255 H C -0.197 174.988 175.328 -0.237 0.000 1.094 255 H CA -0.812 55.010 56.048 -0.377 0.000 1.224 255 H CB 1.522 30.943 29.762 -0.569 0.000 1.449 255 H HN 0.074 nan 8.280 nan 0.000 0.484 256 L N 5.537 126.729 121.223 -0.051 0.000 2.317 256 L HA 0.563 4.903 4.340 -0.000 0.000 0.281 256 L C -0.153 176.688 176.870 -0.048 0.000 1.024 256 L CA -0.727 54.110 54.840 -0.004 0.000 0.810 256 L CB 1.139 43.208 42.059 0.017 0.000 1.240 256 L HN 0.614 nan 8.230 nan 0.000 0.427 257 I N -1.041 119.506 120.570 -0.038 0.000 3.195 257 I HA 0.823 4.993 4.170 -0.000 0.000 0.313 257 I C -0.095 176.009 176.117 -0.023 0.000 1.237 257 I CA -0.868 60.366 61.300 -0.111 0.000 0.963 257 I CB 2.148 39.921 38.000 -0.379 0.000 1.278 257 I HN 0.481 nan 8.210 nan 0.000 0.460 258 G N 1.171 109.978 108.800 0.013 0.000 2.451 258 G HA2 0.341 4.301 3.960 -0.000 0.000 0.303 258 G HA3 0.341 4.301 3.960 -0.000 0.000 0.303 258 G C 0.377 175.212 174.900 -0.108 0.000 1.166 258 G CA -0.594 44.512 45.100 0.011 0.000 0.884 258 G HN 0.962 nan 8.290 nan 0.000 0.514 259 K N -0.195 120.066 120.400 -0.231 0.000 2.442 259 K HA -0.111 4.209 4.320 -0.000 0.000 0.198 259 K C 1.251 177.796 176.600 -0.091 0.000 1.044 259 K CA 1.581 57.688 56.287 -0.299 0.000 0.948 259 K CB 0.052 32.303 32.500 -0.416 0.000 0.762 259 K HN 0.519 nan 8.250 nan 0.000 0.472 260 D N 2.341 122.772 120.400 0.051 0.000 2.263 260 D HA -0.187 4.453 4.640 -0.000 0.000 0.208 260 D C 1.542 177.918 176.300 0.126 0.000 0.971 260 D CA 0.991 55.088 54.000 0.161 0.000 0.867 260 D CB -0.254 40.699 40.800 0.256 0.000 0.929 260 D HN 0.694 nan 8.370 nan 0.000 0.492 261 I N -2.259 118.365 120.570 0.091 0.000 3.654 261 I HA 0.253 4.423 4.170 -0.000 0.000 0.337 261 I C 1.437 177.617 176.117 0.107 0.000 1.568 261 I CA -0.653 60.731 61.300 0.140 0.000 1.115 261 I CB 0.382 38.516 38.000 0.224 0.000 1.300 261 I HN -0.206 nan 8.210 nan 0.000 0.471 262 L N 1.826 123.052 121.223 0.005 0.000 1.989 262 L HA -0.166 4.174 4.340 -0.000 0.000 0.211 262 L C 2.450 179.302 176.870 -0.031 0.000 1.071 262 L CA 2.106 56.931 54.840 -0.026 0.000 0.749 262 L CB -0.554 41.471 42.059 -0.058 0.000 0.890 262 L HN 0.422 nan 8.230 nan 0.000 0.431 263 K N -0.713 119.613 120.400 -0.123 0.000 2.032 263 K HA -0.140 4.180 4.320 -0.000 0.000 0.209 263 K C -0.378 175.829 176.600 -0.654 0.000 1.048 263 K CA 1.775 57.866 56.287 -0.327 0.000 0.927 263 K CB -1.042 31.233 32.500 -0.376 0.000 0.712 263 K HN 0.312 nan 8.250 nan 0.000 0.441 264 P HA -0.110 nan 4.420 nan 0.000 0.217 264 P C 0.419 177.568 177.300 -0.252 0.000 1.150 264 P CA 1.400 64.077 63.100 -0.706 0.000 0.832 264 P CB 0.048 31.625 31.700 -0.204 0.000 0.787 265 H N -1.703 117.339 119.070 -0.047 0.000 2.482 265 H HA 0.219 4.775 4.556 -0.000 0.000 0.286 265 H C 1.824 177.314 175.328 0.270 0.000 1.017 265 H CA 1.298 57.418 56.048 0.120 0.000 1.322 265 H CB -0.398 29.358 29.762 -0.010 0.000 1.426 265 H HN 0.049 nan 8.280 nan 0.000 0.546 266 A N -0.235 122.727 122.820 0.235 0.000 2.115 266 A HA 0.153 4.473 4.320 -0.000 0.000 0.211 266 A C 1.878 179.579 177.584 0.194 0.000 1.169 266 A CA 0.650 52.837 52.037 0.250 0.000 0.787 266 A CB 0.187 19.279 19.000 0.152 0.000 0.858 266 A HN 0.205 nan 8.150 nan 0.000 0.474 267 V N -1.515 118.466 119.914 0.112 0.000 2.870 267 V HA 0.083 4.203 4.120 -0.000 0.000 0.232 267 V C 2.022 178.324 176.094 0.346 0.000 1.161 267 V CA 0.631 63.036 62.300 0.174 0.000 1.204 267 V CB -0.904 30.978 31.823 0.099 0.000 1.003 267 V HN 0.396 nan 8.190 nan 0.000 0.499 268 F N -0.039 119.958 119.950 0.079 0.000 2.026 268 F HA -0.204 4.323 4.527 -0.000 0.000 0.296 268 F C 2.373 178.271 175.800 0.162 0.000 1.133 268 F CA 1.309 59.338 58.000 0.047 0.000 1.188 268 F CB -1.462 37.407 39.000 -0.219 0.000 0.968 268 F HN 0.279 nan 8.300 nan 0.000 0.476 269 W N 2.342 123.731 121.300 0.150 0.000 2.318 269 W HA -0.216 4.444 4.660 -0.000 0.000 0.313 269 W C -0.891 175.730 176.519 0.169 0.000 1.221 269 W CA 1.434 58.839 57.345 0.100 0.000 1.266 269 W CB -1.393 28.137 29.460 0.117 0.000 1.150 269 W HN 0.020 nan 8.180 nan 0.000 0.496 270 P HA -0.197 nan 4.420 nan 0.000 0.216 270 P C 1.800 179.166 177.300 0.109 0.000 1.153 270 P CA 3.438 66.585 63.100 0.079 0.000 0.848 270 P CB -0.516 31.283 31.700 0.164 0.000 0.787 271 T N -3.824 110.874 114.554 0.240 0.000 2.867 271 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 271 T C 1.822 176.469 174.700 -0.088 0.000 1.057 271 T CA 1.214 63.402 62.100 0.145 0.000 1.136 271 T CB -1.116 68.001 68.868 0.414 0.000 0.874 271 T HN -0.021 nan 8.240 nan 0.000 0.466 272 M N 0.624 120.175 119.600 -0.083 0.000 2.086 272 M HA 0.117 4.597 4.480 -0.000 0.000 0.261 272 M C 2.356 178.418 176.300 -0.397 0.000 1.067 272 M CA 1.540 56.615 55.300 -0.374 0.000 1.116 272 M CB -0.593 31.728 32.600 -0.466 0.000 1.348 272 M HN 0.204 nan 8.290 nan 0.000 0.407 273 L N -0.241 120.691 121.223 -0.486 0.000 2.017 273 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 273 L C 2.590 179.200 176.870 -0.433 0.000 1.073 273 L CA 1.098 55.632 54.840 -0.510 0.000 0.745 273 L CB -0.738 40.972 42.059 -0.581 0.000 0.894 273 L HN 0.201 nan 8.230 nan 0.000 0.432 274 K N 0.788 120.836 120.400 -0.587 0.000 2.032 274 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 274 K C 2.010 178.250 176.600 -0.601 0.000 1.048 274 K CA 1.880 57.685 56.287 -0.802 0.000 0.927 274 K CB -0.532 31.083 32.500 -1.475 0.000 0.712 274 K HN 0.239 nan 8.250 nan 0.000 0.441 275 A N -0.006 122.413 122.820 -0.668 0.000 2.015 275 A HA 0.041 4.361 4.320 -0.000 0.000 0.219 275 A C 2.158 179.680 177.584 -0.103 0.000 1.163 275 A CA 1.781 53.623 52.037 -0.325 0.000 0.646 275 A CB -0.688 18.282 19.000 -0.050 0.000 0.806 275 A HN 0.409 nan 8.150 nan 0.000 0.448 276 A N -1.753 120.978 122.820 -0.148 0.000 2.218 276 A HA 0.421 4.741 4.320 -0.000 0.000 0.209 276 A C 1.704 179.256 177.584 -0.053 0.000 1.168 276 A CA 1.104 53.098 52.037 -0.072 0.000 0.804 276 A CB -0.847 18.087 19.000 -0.110 0.000 0.834 276 A HN 1.850 nan 8.150 nan 0.000 0.482 277 G N -0.624 108.119 108.800 -0.095 0.000 2.176 277 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.252 277 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.252 277 G C -0.042 174.860 174.900 0.003 0.000 1.024 277 G CA 0.429 45.502 45.100 -0.045 0.000 0.755 277 G HN 0.480 nan 8.290 nan 0.000 0.507 278 I N 0.683 121.224 120.570 -0.048 0.000 2.412 278 I HA 0.344 4.514 4.170 -0.000 0.000 0.296 278 I C -1.904 174.260 176.117 0.078 0.000 0.987 278 I CA -2.697 58.621 61.300 0.030 0.000 1.180 278 I CB 1.845 39.754 38.000 -0.152 0.000 1.340 278 I HN -0.148 nan 8.210 nan 0.000 0.455 279 P HA 0.059 nan 4.420 nan 0.000 0.266 279 P C -0.210 177.278 177.300 0.314 0.000 1.195 279 P CA -0.209 63.049 63.100 0.264 0.000 0.768 279 P CB 0.378 32.267 31.700 0.314 0.000 0.838 280 M N 2.515 122.140 119.600 0.040 0.000 2.250 280 M HA 0.072 4.552 4.480 -0.000 0.000 0.325 280 M C 0.323 176.549 176.300 -0.123 0.000 1.084 280 M CA 0.029 55.239 55.300 -0.150 0.000 1.161 280 M CB -0.344 32.011 32.600 -0.408 0.000 1.481 280 M HN 0.371 nan 8.290 nan 0.000 0.449 281 Y N 0.168 120.430 120.300 -0.063 0.000 2.330 281 Y HA 0.292 4.842 4.550 -0.000 0.000 0.341 281 Y C 1.164 176.907 175.900 -0.261 0.000 1.278 281 Y CA -0.808 57.080 58.100 -0.353 0.000 1.453 281 Y CB -0.120 38.197 38.460 -0.239 0.000 1.342 281 Y HN 0.669 nan 8.280 nan 0.000 0.590 282 R N -0.031 120.424 120.500 -0.076 0.000 2.075 282 R HA 0.126 4.466 4.340 -0.000 0.000 0.226 282 R C -0.824 175.246 176.300 -0.384 0.000 1.114 282 R CA 1.249 57.244 56.100 -0.176 0.000 0.972 282 R CB -0.301 29.980 30.300 -0.032 0.000 0.869 282 R HN 0.942 nan 8.270 nan 0.000 0.437 283 H N -1.866 117.169 119.070 -0.059 0.000 2.974 283 H HA 0.423 4.979 4.556 -0.000 0.000 0.366 283 H C -1.935 173.272 175.328 -0.202 0.000 1.155 283 H CA -0.860 55.064 56.048 -0.207 0.000 1.186 283 H CB 1.851 31.152 29.762 -0.769 0.000 1.799 283 H HN 0.004 nan 8.280 nan 0.000 0.541 284 L N 3.017 124.273 121.223 0.055 0.000 2.319 284 L HA 0.448 4.788 4.340 -0.000 0.000 0.281 284 L C -1.055 175.803 176.870 -0.019 0.000 1.005 284 L CA -0.407 54.397 54.840 -0.060 0.000 0.828 284 L CB 0.810 42.897 42.059 0.046 0.000 1.227 284 L HN 0.610 nan 8.230 nan 0.000 0.415 285 N N 5.309 123.987 118.700 -0.036 0.000 2.511 285 N HA 0.307 5.047 4.740 -0.000 0.000 0.249 285 N C -1.153 174.462 175.510 0.175 0.000 0.971 285 N CA -0.394 52.692 53.050 0.061 0.000 0.938 285 N CB 2.175 40.659 38.487 -0.004 0.000 1.131 285 N HN 0.337 nan 8.380 nan 0.000 0.505 286 V N 1.242 121.194 119.914 0.062 0.000 2.364 286 V HA 0.437 4.557 4.120 -0.000 0.000 0.272 286 V C 1.149 176.971 176.094 -0.454 0.000 1.036 286 V CA -0.776 61.358 62.300 -0.278 0.000 0.880 286 V CB 0.912 32.248 31.823 -0.812 0.000 0.991 286 V HN 0.623 nan 8.190 nan 0.000 0.460 287 G N 3.093 111.580 108.800 -0.521 0.000 2.504 287 G HA2 0.626 4.586 3.960 -0.000 0.000 0.288 287 G HA3 0.626 4.586 3.960 -0.000 0.000 0.288 287 G C 0.272 174.907 174.900 -0.441 0.000 1.182 287 G CA 0.021 44.614 45.100 -0.845 0.000 0.894 287 G HN 0.962 nan 8.290 nan 0.000 0.521 288 G N -1.172 107.420 108.800 -0.347 0.000 2.568 288 G HA2 0.541 4.501 3.960 -0.000 0.000 0.293 288 G HA3 0.541 4.501 3.960 -0.000 0.000 0.293 288 G C -0.846 173.935 174.900 -0.198 0.000 1.347 288 G CA -0.795 44.133 45.100 -0.287 0.000 1.039 288 G HN 0.321 nan 8.290 nan 0.000 0.523 289 F N -1.002 118.875 119.950 -0.121 0.000 2.382 289 F HA 0.430 4.957 4.527 -0.000 0.000 0.331 289 F C 0.309 175.986 175.800 -0.205 0.000 1.121 289 F CA -0.937 56.982 58.000 -0.136 0.000 1.183 289 F CB 1.269 40.214 39.000 -0.090 0.000 1.207 289 F HN -0.082 nan 8.300 nan 0.000 0.555 290 L N 3.916 125.134 121.223 -0.007 0.000 2.272 290 L HA 0.344 4.684 4.340 -0.000 0.000 0.284 290 L C -0.241 176.586 176.870 -0.071 0.000 1.045 290 L CA 0.151 54.910 54.840 -0.135 0.000 0.842 290 L CB 0.152 42.085 42.059 -0.210 0.000 1.224 290 L HN 0.382 nan 8.230 nan 0.000 0.430 291 L N 1.686 122.883 121.223 -0.044 0.000 2.466 291 L HA 0.477 4.817 4.340 -0.000 0.000 0.257 291 L C 1.302 178.144 176.870 -0.048 0.000 1.189 291 L CA -0.352 54.462 54.840 -0.043 0.000 0.813 291 L CB 0.206 42.256 42.059 -0.015 0.000 1.118 291 L HN 0.630 nan 8.230 nan 0.000 0.471 292 G N 0.036 108.807 108.800 -0.050 0.000 2.651 292 G HA2 0.228 4.188 3.960 -0.000 0.000 0.260 292 G HA3 0.228 4.188 3.960 -0.000 0.000 0.260 292 G C -1.962 172.926 174.900 -0.020 0.000 1.216 292 G CA -0.904 44.174 45.100 -0.037 0.000 0.913 292 G HN 0.472 nan 8.290 nan 0.000 0.535 293 P HA -0.087 nan 4.420 nan 0.000 0.218 293 P C 1.136 178.431 177.300 -0.008 0.000 1.146 293 P CA 1.477 64.573 63.100 -0.006 0.000 0.813 293 P CB 0.151 31.846 31.700 -0.007 0.000 0.778 294 D N -1.868 118.524 120.400 -0.013 0.000 2.336 294 D HA 0.058 4.698 4.640 -0.000 0.000 0.229 294 D C 1.398 177.691 176.300 -0.012 0.000 1.061 294 D CA 0.598 54.591 54.000 -0.012 0.000 0.875 294 D CB -1.101 39.690 40.800 -0.014 0.000 0.904 294 D HN 0.208 nan 8.370 nan 0.000 0.525 295 G N 0.216 109.008 108.800 -0.014 0.000 2.162 295 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.260 295 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.260 295 G C 0.291 175.183 174.900 -0.012 0.000 0.976 295 G CA 0.148 45.241 45.100 -0.012 0.000 0.655 295 G HN 0.496 nan 8.290 nan 0.000 0.533 296 R N -0.121 120.366 120.500 -0.023 0.000 2.758 296 R HA 0.519 4.859 4.340 -0.000 0.000 0.265 296 R C 0.345 176.607 176.300 -0.062 0.000 1.016 296 R CA -1.013 55.068 56.100 -0.032 0.000 1.040 296 R CB 0.884 31.164 30.300 -0.033 0.000 1.152 296 R HN 0.004 nan 8.270 nan 0.000 0.503 297 K N 1.679 122.022 120.400 -0.095 0.000 2.524 297 K HA -0.043 4.277 4.320 -0.000 0.000 0.279 297 K C 0.247 176.745 176.600 -0.170 0.000 0.993 297 K CA 0.641 56.812 56.287 -0.195 0.000 1.030 297 K CB 0.425 32.765 32.500 -0.267 0.000 0.891 297 K HN 0.441 nan 8.250 nan 0.000 0.488 298 M N 2.345 121.824 119.600 -0.201 0.000 2.217 298 M HA -0.023 4.457 4.480 -0.000 0.000 0.352 298 M C 0.067 176.270 176.300 -0.161 0.000 1.376 298 M CA 0.607 55.812 55.300 -0.160 0.000 1.107 298 M CB 0.619 33.117 32.600 -0.170 0.000 1.723 298 M HN 0.681 nan 8.290 nan 0.000 0.461 299 S N 3.355 118.990 115.700 -0.108 0.000 2.535 299 S HA 0.328 4.798 4.470 -0.000 0.000 0.272 299 S C 0.242 174.812 174.600 -0.050 0.000 1.149 299 S CA -1.013 57.136 58.200 -0.085 0.000 0.888 299 S CB 1.910 65.064 63.200 -0.077 0.000 1.110 299 S HN 0.745 nan 8.310 nan 0.000 0.463 300 K N 1.587 121.967 120.400 -0.032 0.000 2.032 300 K HA -0.121 4.199 4.320 -0.000 0.000 0.209 300 K C 2.149 178.743 176.600 -0.011 0.000 1.048 300 K CA 2.612 58.891 56.287 -0.012 0.000 0.927 300 K CB -1.059 31.443 32.500 0.004 0.000 0.712 300 K HN 0.923 nan 8.250 nan 0.000 0.441 301 T N -0.725 113.822 114.554 -0.013 0.000 2.995 301 T HA -0.042 4.308 4.350 -0.000 0.000 0.269 301 T C 2.073 176.765 174.700 -0.014 0.000 1.091 301 T CA 0.580 62.674 62.100 -0.010 0.000 1.128 301 T CB -0.079 68.785 68.868 -0.007 0.000 0.891 301 T HN 0.180 nan 8.240 nan 0.000 0.492 302 L N 0.481 121.691 121.223 -0.022 0.000 2.291 302 L HA 0.200 4.540 4.340 -0.000 0.000 0.214 302 L C 1.982 178.841 176.870 -0.019 0.000 1.120 302 L CA 1.022 55.848 54.840 -0.023 0.000 0.799 302 L CB -0.730 41.309 42.059 -0.034 0.000 0.925 302 L HN 0.695 nan 8.230 nan 0.000 0.446 303 G N 0.893 109.682 108.800 -0.018 0.000 2.160 303 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.244 303 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.244 303 G C 0.199 175.091 174.900 -0.015 0.000 1.022 303 G CA 0.541 45.634 45.100 -0.012 0.000 0.741 303 G HN 0.596 nan 8.290 nan 0.000 0.508 304 N N -0.578 118.108 118.700 -0.023 0.000 2.338 304 N HA 0.271 5.011 4.740 -0.000 0.000 0.251 304 N C 0.172 175.664 175.510 -0.030 0.000 1.199 304 N CA -0.071 52.964 53.050 -0.025 0.000 0.879 304 N CB 0.519 38.987 38.487 -0.032 0.000 1.159 304 N HN 0.243 nan 8.380 nan 0.000 0.514 305 V N 0.835 120.734 119.914 -0.024 0.000 2.637 305 V HA 0.188 4.307 4.120 -0.000 0.000 0.296 305 V C 0.226 176.316 176.094 -0.006 0.000 1.046 305 V CA -0.496 61.790 62.300 -0.023 0.000 1.066 305 V CB 1.456 33.274 31.823 -0.009 0.000 0.968 305 V HN 0.058 nan 8.190 nan 0.000 0.483 306 V N 3.902 123.813 119.914 -0.006 0.000 2.378 306 V HA 0.313 4.433 4.120 -0.000 0.000 0.288 306 V C -0.248 175.860 176.094 0.024 0.000 1.016 306 V CA -0.612 61.693 62.300 0.009 0.000 0.840 306 V CB 1.741 33.569 31.823 0.009 0.000 0.994 306 V HN 0.903 nan 8.190 nan 0.000 0.431 307 D N 7.907 128.330 120.400 0.039 0.000 2.380 307 D HA 0.292 4.932 4.640 -0.000 0.000 0.230 307 D C -1.138 175.169 176.300 0.011 0.000 1.154 307 D CA -2.089 51.950 54.000 0.064 0.000 0.859 307 D CB 2.129 42.990 40.800 0.102 0.000 1.045 307 D HN 0.242 nan 8.370 nan 0.000 0.495 308 P HA -0.127 nan 4.420 nan 0.000 0.218 308 P C 1.285 178.406 177.300 -0.297 0.000 1.149 308 P CA 0.764 63.721 63.100 -0.237 0.000 0.817 308 P CB 0.076 31.543 31.700 -0.388 0.000 0.785 309 F N 0.917 120.932 119.950 0.108 0.000 2.259 309 F HA 0.079 4.606 4.527 -0.000 0.000 0.298 309 F C 2.759 178.603 175.800 0.073 0.000 1.088 309 F CA 1.003 59.056 58.000 0.087 0.000 1.358 309 F CB -1.584 37.447 39.000 0.053 0.000 1.040 309 F HN -0.059 nan 8.300 nan 0.000 0.505 310 A N -0.068 122.866 122.820 0.190 0.000 1.897 310 A HA -0.070 4.249 4.320 -0.000 0.000 0.215 310 A C 2.080 179.729 177.584 0.107 0.000 1.181 310 A CA 1.172 53.283 52.037 0.124 0.000 0.620 310 A CB -0.859 18.199 19.000 0.096 0.000 0.821 310 A HN 0.229 nan 8.150 nan 0.000 0.443 311 L N -0.381 120.907 121.223 0.109 0.000 2.046 311 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 311 L C 2.452 179.446 176.870 0.206 0.000 1.077 311 L CA 1.717 56.658 54.840 0.168 0.000 0.747 311 L CB -0.998 41.117 42.059 0.094 0.000 0.896 311 L HN 0.556 nan 8.230 nan 0.000 0.432 312 L N -0.726 120.583 121.223 0.144 0.000 2.046 312 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 312 L C 2.540 179.496 176.870 0.144 0.000 1.077 312 L CA 1.585 56.520 54.840 0.159 0.000 0.747 312 L CB -0.186 41.962 42.059 0.148 0.000 0.896 312 L HN 0.297 nan 8.230 nan 0.000 0.432 313 E N 0.603 120.875 120.200 0.119 0.000 2.077 313 E HA -0.303 4.047 4.350 -0.000 0.000 0.193 313 E C 2.158 178.760 176.600 0.002 0.000 0.989 313 E CA 1.981 58.424 56.400 0.071 0.000 0.800 313 E CB -0.121 29.619 29.700 0.066 0.000 0.746 313 E HN 0.478 nan 8.360 nan 0.000 0.452 314 K N -1.409 118.962 120.400 -0.048 0.000 2.021 314 K HA -0.091 4.229 4.320 -0.000 0.000 0.205 314 K C 1.532 177.882 176.600 -0.416 0.000 1.047 314 K CA 1.322 57.444 56.287 -0.275 0.000 0.943 314 K CB -0.167 32.077 32.500 -0.426 0.000 0.725 314 K HN 0.204 nan 8.250 nan 0.000 0.439 315 Y N -0.187 120.062 120.300 -0.085 0.000 2.462 315 Y HA 0.291 4.841 4.550 -0.000 0.000 0.261 315 Y C 0.674 176.634 175.900 0.099 0.000 1.146 315 Y CA 0.228 58.247 58.100 -0.135 0.000 1.283 315 Y CB 1.016 39.326 38.460 -0.251 0.000 1.090 315 Y HN 0.293 nan 8.280 nan 0.000 0.526 316 G N 0.759 109.693 108.800 0.224 0.000 2.692 316 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.686 316 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.686 316 G C 0.475 175.530 174.900 0.257 0.000 1.243 316 G CA -0.198 45.042 45.100 0.234 0.000 0.782 316 G HN 0.274 nan 8.290 nan 0.000 0.625 317 R N 0.534 121.166 120.500 0.220 0.000 2.083 317 R HA -0.142 4.198 4.340 -0.000 0.000 0.237 317 R C 1.961 178.407 176.300 0.244 0.000 1.137 317 R CA 2.723 58.952 56.100 0.215 0.000 0.951 317 R CB -0.491 29.924 30.300 0.192 0.000 0.851 317 R HN 0.655 nan 8.270 nan 0.000 0.434 318 D N 0.495 121.056 120.400 0.268 0.000 2.097 318 D HA -0.129 4.511 4.640 -0.000 0.000 0.195 318 D C 1.900 178.413 176.300 0.354 0.000 0.989 318 D CA 1.812 55.994 54.000 0.303 0.000 0.827 318 D CB -0.171 40.820 40.800 0.318 0.000 0.966 318 D HN 0.441 nan 8.370 nan 0.000 0.456 319 A N 0.436 123.500 122.820 0.407 0.000 1.902 319 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 319 A C 2.066 179.858 177.584 0.345 0.000 1.181 319 A CA 1.080 53.352 52.037 0.392 0.000 0.623 319 A CB -0.808 18.524 19.000 0.554 0.000 0.818 319 A HN 0.257 nan 8.150 nan 0.000 0.443 320 L N -0.128 121.267 121.223 0.287 0.000 2.017 320 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 320 L C 2.437 179.465 176.870 0.263 0.000 1.073 320 L CA 2.146 57.132 54.840 0.244 0.000 0.745 320 L CB -0.616 41.555 42.059 0.187 0.000 0.894 320 L HN 0.356 nan 8.230 nan 0.000 0.432 321 R N -1.723 118.920 120.500 0.238 0.000 2.083 321 R HA -0.246 4.094 4.340 -0.000 0.000 0.237 321 R C 2.311 178.714 176.300 0.173 0.000 1.137 321 R CA 2.062 58.276 56.100 0.190 0.000 0.951 321 R CB -0.935 29.485 30.300 0.199 0.000 0.851 321 R HN 0.515 nan 8.270 nan 0.000 0.434 322 Y N 0.390 120.771 120.300 0.135 0.000 2.128 322 Y HA -0.345 4.205 4.550 -0.000 0.000 0.284 322 Y C 2.229 178.186 175.900 0.096 0.000 1.154 322 Y CA 1.662 59.820 58.100 0.097 0.000 1.149 322 Y CB -0.596 37.920 38.460 0.094 0.000 0.976 322 Y HN 0.124 nan 8.280 nan 0.000 0.505 323 Y N 0.561 120.851 120.300 -0.016 0.000 2.128 323 Y HA -0.294 4.256 4.550 -0.000 0.000 0.284 323 Y C 2.058 177.881 175.900 -0.128 0.000 1.154 323 Y CA 2.181 60.217 58.100 -0.107 0.000 1.149 323 Y CB -0.777 37.681 38.460 -0.004 0.000 0.976 323 Y HN 0.196 nan 8.280 nan 0.000 0.505 324 L N -0.541 120.576 121.223 -0.177 0.000 2.083 324 L HA -0.231 4.109 4.340 -0.000 0.000 0.209 324 L C 2.398 179.191 176.870 -0.128 0.000 1.083 324 L CA 1.281 56.013 54.840 -0.180 0.000 0.752 324 L CB -0.581 41.547 42.059 0.115 0.000 0.899 324 L HN 0.307 nan 8.230 nan 0.000 0.433 325 L N -0.898 120.204 121.223 -0.202 0.000 2.209 325 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 325 L C 2.709 179.439 176.870 -0.233 0.000 1.094 325 L CA 0.480 55.171 54.840 -0.249 0.000 0.790 325 L CB -0.257 41.545 42.059 -0.428 0.000 0.932 325 L HN 0.155 nan 8.230 nan 0.000 0.447 326 R N 0.657 120.917 120.500 -0.401 0.000 2.080 326 R HA -0.134 4.206 4.340 -0.000 0.000 0.222 326 R C 2.090 178.254 176.300 -0.226 0.000 1.107 326 R CA 1.397 57.277 56.100 -0.368 0.000 0.980 326 R CB -0.134 29.710 30.300 -0.760 0.000 0.879 326 R HN 0.202 nan 8.270 nan 0.000 0.439 327 E N -0.543 119.451 120.200 -0.343 0.000 2.285 327 E HA 0.078 4.428 4.350 -0.000 0.000 0.194 327 E C -0.392 176.039 176.600 -0.282 0.000 0.997 327 E CA 0.671 56.883 56.400 -0.314 0.000 0.845 327 E CB 0.168 29.537 29.700 -0.553 0.000 0.782 327 E HN 0.371 nan 8.360 nan 0.000 0.491 328 I N 1.679 122.092 120.570 -0.262 0.000 2.362 328 I HA 0.311 4.481 4.170 -0.000 0.000 0.289 328 I C -2.354 173.618 176.117 -0.241 0.000 0.994 328 I CA -2.686 58.474 61.300 -0.233 0.000 1.158 328 I CB 1.927 39.802 38.000 -0.209 0.000 1.315 328 I HN -0.180 nan 8.210 nan 0.000 0.451 329 P HA 0.019 nan 4.420 nan 0.000 0.276 329 P C -0.819 176.408 177.300 -0.121 0.000 1.264 329 P CA -0.187 62.528 63.100 -0.641 0.000 0.769 329 P CB 0.087 31.416 31.700 -0.618 0.000 0.840 330 Y N 3.717 124.013 120.300 -0.007 0.000 2.802 330 Y HA 0.182 4.732 4.550 -0.000 0.000 0.333 330 Y C 1.697 177.649 175.900 0.086 0.000 1.244 330 Y CA 2.284 60.471 58.100 0.144 0.000 1.558 330 Y CB -0.339 38.267 38.460 0.244 0.000 1.233 330 Y HN 0.808 nan 8.280 nan 0.000 0.547 331 G N 3.706 112.265 108.800 -0.401 0.000 2.238 331 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 331 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 331 G C 0.082 174.951 174.900 -0.052 0.000 0.996 331 G CA 0.061 45.065 45.100 -0.160 0.000 0.632 331 G HN 0.687 nan 8.290 nan 0.000 0.503 332 Q N 1.438 121.166 119.800 -0.120 0.000 2.314 332 Q HA 0.454 4.794 4.340 -0.000 0.000 0.259 332 Q C -0.919 174.998 176.000 -0.139 0.000 0.951 332 Q CA -0.774 54.954 55.803 -0.124 0.000 0.909 332 Q CB 0.597 29.257 28.738 -0.130 0.000 1.236 332 Q HN 0.234 nan 8.270 nan 0.000 0.444 333 D N 3.176 123.506 120.400 -0.118 0.000 2.586 333 D HA 0.022 4.662 4.640 -0.000 0.000 0.234 333 D C -0.860 175.392 176.300 -0.080 0.000 1.132 333 D CA 1.047 55.001 54.000 -0.076 0.000 0.860 333 D CB 0.747 41.538 40.800 -0.015 0.000 1.159 333 D HN 0.395 nan 8.370 nan 0.000 0.490 334 T N 3.634 118.132 114.554 -0.093 0.000 2.971 334 T HA 0.403 4.753 4.350 -0.000 0.000 0.304 334 T C -2.646 172.004 174.700 -0.084 0.000 1.038 334 T CA -1.290 60.747 62.100 -0.105 0.000 1.007 334 T CB 2.571 71.340 68.868 -0.164 0.000 1.055 334 T HN 0.140 nan 8.240 nan 0.000 0.451 335 P HA 0.442 nan 4.420 nan 0.000 0.278 335 P C -0.708 176.588 177.300 -0.007 0.000 1.238 335 P CA -0.452 62.631 63.100 -0.028 0.000 0.794 335 P CB 1.040 32.731 31.700 -0.014 0.000 0.955 336 V N -0.643 119.284 119.914 0.022 0.000 3.074 336 V HA 0.960 5.080 4.120 -0.000 0.000 0.314 336 V C -0.458 175.690 176.094 0.090 0.000 1.117 336 V CA -0.959 61.417 62.300 0.127 0.000 1.014 336 V CB 1.692 33.605 31.823 0.149 0.000 1.057 336 V HN 0.855 nan 8.190 nan 0.000 0.438 337 S N -0.418 115.334 115.700 0.086 0.000 2.595 337 S HA 0.396 4.866 4.470 -0.000 0.000 0.270 337 S C 0.332 174.839 174.600 -0.155 0.000 1.145 337 S CA 0.068 58.252 58.200 -0.025 0.000 0.825 337 S CB 1.559 64.749 63.200 -0.018 0.000 1.107 337 S HN 1.078 nan 8.310 nan 0.000 0.461 338 E N 0.894 121.014 120.200 -0.133 0.000 2.106 338 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 338 E C 1.689 178.148 176.600 -0.236 0.000 0.984 338 E CA 1.645 57.927 56.400 -0.197 0.000 0.806 338 E CB -0.145 29.519 29.700 -0.059 0.000 0.750 338 E HN 0.703 nan 8.360 nan 0.000 0.458 339 E N 0.701 120.823 120.200 -0.130 0.000 2.058 339 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 339 E C 1.998 178.520 176.600 -0.130 0.000 0.997 339 E CA 1.315 57.657 56.400 -0.097 0.000 0.801 339 E CB -0.516 29.158 29.700 -0.043 0.000 0.746 339 E HN 0.311 nan 8.360 nan 0.000 0.450 340 A N 1.836 124.574 122.820 -0.136 0.000 1.930 340 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 340 A C 2.338 179.751 177.584 -0.284 0.000 1.175 340 A CA 1.175 53.164 52.037 -0.080 0.000 0.627 340 A CB -0.720 18.348 19.000 0.113 0.000 0.815 340 A HN 0.299 nan 8.150 nan 0.000 0.443 341 L N -0.822 119.938 121.223 -0.771 0.000 2.027 341 L HA -0.134 4.206 4.340 -0.000 0.000 0.206 341 L C 2.637 179.199 176.870 -0.514 0.000 1.074 341 L CA 1.894 56.127 54.840 -1.013 0.000 0.745 341 L CB -0.326 41.029 42.059 -1.173 0.000 0.898 341 L HN 0.444 nan 8.230 nan 0.000 0.433 342 R N -0.863 119.344 120.500 -0.490 0.000 2.091 342 R HA -0.179 4.160 4.340 -0.000 0.000 0.238 342 R C 2.073 178.344 176.300 -0.047 0.000 1.136 342 R CA 2.173 58.102 56.100 -0.285 0.000 0.959 342 R CB -0.382 29.833 30.300 -0.141 0.000 0.856 342 R HN 0.395 nan 8.270 nan 0.000 0.437 343 T N 0.179 114.703 114.554 -0.051 0.000 2.708 343 T HA -0.151 4.199 4.350 -0.000 0.000 0.266 343 T C 1.790 176.518 174.700 0.047 0.000 1.037 343 T CA 1.616 63.725 62.100 0.015 0.000 1.146 343 T CB -0.204 68.673 68.868 0.015 0.000 0.865 343 T HN 0.242 nan 8.240 nan 0.000 0.435 344 R N -0.299 120.239 120.500 0.063 0.000 2.081 344 R HA -0.028 4.311 4.340 -0.000 0.000 0.235 344 R C 2.151 178.498 176.300 0.079 0.000 1.131 344 R CA 1.200 57.383 56.100 0.138 0.000 0.960 344 R CB -0.642 29.821 30.300 0.272 0.000 0.856 344 R HN 0.521 nan 8.270 nan 0.000 0.436 345 Y N 1.063 121.311 120.300 -0.087 0.000 2.181 345 Y HA -0.216 4.334 4.550 -0.000 0.000 0.288 345 Y C 1.664 177.498 175.900 -0.110 0.000 1.146 345 Y CA 2.008 60.025 58.100 -0.138 0.000 1.164 345 Y CB 0.114 38.510 38.460 -0.106 0.000 0.982 345 Y HN 0.157 nan 8.280 nan 0.000 0.515 346 E N -0.513 119.770 120.200 0.138 0.000 2.158 346 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 346 E C 2.063 178.647 176.600 -0.026 0.000 0.982 346 E CA 0.668 57.114 56.400 0.077 0.000 0.823 346 E CB -0.086 29.703 29.700 0.150 0.000 0.766 346 E HN 0.569 nan 8.360 nan 0.000 0.468 347 A N 1.511 124.315 122.820 -0.026 0.000 1.896 347 A HA -0.080 4.240 4.320 -0.000 0.000 0.213 347 A C 1.628 179.167 177.584 -0.076 0.000 1.306 347 A CA 0.894 52.915 52.037 -0.028 0.000 0.626 347 A CB -0.365 18.642 19.000 0.012 0.000 0.994 347 A HN -0.004 nan 8.150 nan 0.000 0.475 348 D N 0.445 120.800 120.400 -0.075 0.000 2.123 348 D HA -0.133 4.507 4.640 -0.000 0.000 0.196 348 D C 1.897 178.005 176.300 -0.320 0.000 0.992 348 D CA 1.497 55.420 54.000 -0.129 0.000 0.833 348 D CB -0.226 40.552 40.800 -0.038 0.000 0.954 348 D HN 0.457 nan 8.370 nan 0.000 0.455 349 L N -0.084 120.825 121.223 -0.523 0.000 2.187 349 L HA 0.210 4.550 4.340 -0.000 0.000 0.197 349 L C 2.495 179.033 176.870 -0.554 0.000 1.090 349 L CA 0.700 55.015 54.840 -0.875 0.000 0.781 349 L CB -0.698 40.294 42.059 -1.779 0.000 0.956 349 L HN -0.071 nan 8.230 nan 0.000 0.463 350 A N 0.039 122.543 122.820 -0.528 0.000 1.902 350 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 350 A C 1.911 179.464 177.584 -0.053 0.000 1.181 350 A CA 2.389 54.328 52.037 -0.164 0.000 0.623 350 A CB -0.578 18.337 19.000 -0.143 0.000 0.818 350 A HN 0.457 nan 8.150 nan 0.000 0.443 351 D N -0.579 119.773 120.400 -0.080 0.000 2.154 351 D HA -0.080 4.560 4.640 -0.000 0.000 0.211 351 D C 1.334 177.620 176.300 -0.023 0.000 0.977 351 D CA 1.207 55.189 54.000 -0.030 0.000 0.869 351 D CB -0.244 40.544 40.800 -0.020 0.000 1.022 351 D HN 0.259 nan 8.370 nan 0.000 0.461 352 D N -0.302 120.072 120.400 -0.044 0.000 2.144 352 D HA -0.116 4.524 4.640 -0.000 0.000 0.199 352 D C 1.819 178.111 176.300 -0.014 0.000 0.984 352 D CA 0.616 54.601 54.000 -0.026 0.000 0.834 352 D CB 0.124 40.904 40.800 -0.033 0.000 0.955 352 D HN 0.198 nan 8.370 nan 0.000 0.465 353 L N -0.060 121.152 121.223 -0.019 0.000 2.379 353 L HA 0.273 4.613 4.340 -0.000 0.000 0.190 353 L C 2.392 179.310 176.870 0.080 0.000 1.111 353 L CA 1.258 56.121 54.840 0.039 0.000 0.820 353 L CB -1.253 40.849 42.059 0.072 0.000 1.046 353 L HN 0.036 nan 8.230 nan 0.000 0.485 354 G N -0.060 108.823 108.800 0.139 0.000 2.514 354 G HA2 -0.324 3.635 3.960 -0.000 0.000 0.217 354 G HA3 -0.324 3.635 3.960 -0.000 0.000 0.217 354 G C 1.416 176.350 174.900 0.056 0.000 1.198 354 G CA 1.011 46.186 45.100 0.125 0.000 0.780 354 G HN 0.387 nan 8.290 nan 0.000 0.565 355 N N 0.248 118.972 118.700 0.041 0.000 2.120 355 N HA -0.084 4.656 4.740 -0.000 0.000 0.188 355 N C 2.037 177.563 175.510 0.025 0.000 1.024 355 N CA 0.965 54.031 53.050 0.026 0.000 0.852 355 N CB -0.510 37.988 38.487 0.018 0.000 1.003 355 N HN 0.286 nan 8.380 nan 0.000 0.424 356 L N 0.810 122.051 121.223 0.029 0.000 2.046 356 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 356 L C 1.954 178.841 176.870 0.029 0.000 1.077 356 L CA 1.269 56.130 54.840 0.034 0.000 0.747 356 L CB -0.564 41.513 42.059 0.031 0.000 0.896 356 L HN -0.094 nan 8.230 nan 0.000 0.432 357 V N -0.508 119.420 119.914 0.023 0.000 2.358 357 V HA -0.311 3.809 4.120 -0.000 0.000 0.246 357 V C 2.590 178.691 176.094 0.011 0.000 1.047 357 V CA 1.968 64.274 62.300 0.010 0.000 1.035 357 V CB -0.613 31.212 31.823 0.002 0.000 0.658 357 V HN 0.602 nan 8.190 nan 0.000 0.452 358 Q N -0.206 119.604 119.800 0.017 0.000 2.061 358 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 358 Q C 2.534 178.546 176.000 0.020 0.000 0.984 358 Q CA 1.909 57.723 55.803 0.019 0.000 0.846 358 Q CB -0.042 28.706 28.738 0.016 0.000 0.902 358 Q HN 0.559 nan 8.270 nan 0.000 0.421 359 R N -0.852 119.659 120.500 0.018 0.000 2.081 359 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 359 R C 2.369 178.694 176.300 0.042 0.000 1.131 359 R CA 1.776 57.889 56.100 0.020 0.000 0.960 359 R CB -0.360 29.955 30.300 0.025 0.000 0.856 359 R HN 0.247 nan 8.270 nan 0.000 0.436 360 T N 0.548 115.128 114.554 0.043 0.000 2.746 360 T HA -0.118 4.231 4.350 -0.000 0.000 0.267 360 T C 1.778 176.469 174.700 -0.014 0.000 1.039 360 T CA 1.208 63.331 62.100 0.038 0.000 1.142 360 T CB -0.105 68.775 68.868 0.022 0.000 0.866 360 T HN 0.268 nan 8.240 nan 0.000 0.444 361 R N 0.825 121.308 120.500 -0.027 0.000 2.073 361 R HA 0.015 4.355 4.340 -0.000 0.000 0.234 361 R C 2.859 179.148 176.300 -0.019 0.000 1.134 361 R CA 1.331 57.385 56.100 -0.077 0.000 0.952 361 R CB -0.520 29.792 30.300 0.020 0.000 0.850 361 R HN 0.359 nan 8.270 nan 0.000 0.433 362 A N 0.983 123.843 122.820 0.068 0.000 1.883 362 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 362 A C 2.181 179.741 177.584 -0.040 0.000 1.186 362 A CA 1.560 53.644 52.037 0.079 0.000 0.624 362 A CB -0.457 18.550 19.000 0.012 0.000 0.822 362 A HN 0.218 nan 8.150 nan 0.000 0.444 363 M N -0.800 118.775 119.600 -0.042 0.000 2.175 363 M HA -0.060 4.420 4.480 -0.000 0.000 0.264 363 M C 2.044 178.275 176.300 -0.115 0.000 1.063 363 M CA 1.134 56.398 55.300 -0.060 0.000 1.119 363 M CB -0.390 32.346 32.600 0.227 0.000 1.377 363 M HN 0.378 nan 8.290 nan 0.000 0.415 364 L N -1.221 119.931 121.223 -0.118 0.000 2.093 364 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 364 L C 2.241 178.959 176.870 -0.253 0.000 1.085 364 L CA 1.114 55.844 54.840 -0.183 0.000 0.755 364 L CB -0.542 41.341 42.059 -0.294 0.000 0.904 364 L HN 0.170 nan 8.230 nan 0.000 0.435 365 F N -0.298 119.575 119.950 -0.130 0.000 2.146 365 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 365 F C 2.755 178.409 175.800 -0.243 0.000 1.096 365 F CA 1.083 58.995 58.000 -0.145 0.000 1.275 365 F CB -0.428 38.495 39.000 -0.128 0.000 1.008 365 F HN -0.080 nan 8.300 nan 0.000 0.480 366 R N -0.496 119.829 120.500 -0.292 0.000 2.062 366 R HA -0.053 4.287 4.340 -0.000 0.000 0.229 366 R C 1.823 177.682 176.300 -0.734 0.000 1.128 366 R CA 1.366 57.072 56.100 -0.657 0.000 0.960 366 R CB -0.921 28.611 30.300 -1.280 0.000 0.855 366 R HN 0.260 nan 8.270 nan 0.000 0.432 367 F N -1.535 118.243 119.950 -0.285 0.000 2.721 367 F HA 0.373 4.899 4.527 -0.000 0.000 0.301 367 F C 1.162 176.925 175.800 -0.063 0.000 1.096 367 F CA -0.091 57.637 58.000 -0.454 0.000 1.308 367 F CB 0.137 38.799 39.000 -0.563 0.000 1.086 367 F HN -0.063 nan 8.300 nan 0.000 0.587 368 A N -0.285 122.582 122.820 0.078 0.000 2.605 368 A HA 0.411 4.731 4.320 -0.000 0.000 0.292 368 A C 0.715 178.331 177.584 0.053 0.000 1.055 368 A CA -0.210 51.886 52.037 0.098 0.000 0.969 368 A CB -0.493 18.556 19.000 0.082 0.000 1.236 368 A HN 0.308 nan 8.150 nan 0.000 0.534 369 E N -1.460 118.775 120.200 0.059 0.000 2.883 369 E HA -0.268 4.082 4.350 -0.000 0.000 0.271 369 E C 0.893 177.542 176.600 0.081 0.000 1.049 369 E CA 0.872 57.320 56.400 0.080 0.000 0.817 369 E CB -1.876 27.872 29.700 0.081 0.000 1.407 369 E HN 1.826 nan 8.360 nan 0.000 0.434 370 G N 0.037 108.827 108.800 -0.016 0.000 2.147 370 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.244 370 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.244 370 G C 0.056 174.833 174.900 -0.205 0.000 1.005 370 G CA 0.669 45.630 45.100 -0.232 0.000 0.713 370 G HN 0.251 nan 8.290 nan 0.000 0.515 371 R N -1.166 119.262 120.500 -0.120 0.000 2.854 371 R HA 0.640 4.980 4.340 -0.000 0.000 0.271 371 R C 0.295 176.567 176.300 -0.047 0.000 0.994 371 R CA -1.166 54.896 56.100 -0.064 0.000 0.945 371 R CB 1.475 31.774 30.300 -0.001 0.000 1.194 371 R HN 0.175 nan 8.270 nan 0.000 0.476 372 I N 4.329 124.888 120.570 -0.018 0.000 2.648 372 I HA 0.074 4.244 4.170 -0.000 0.000 0.284 372 I C -1.650 174.532 176.117 0.108 0.000 1.153 372 I CA -1.405 59.915 61.300 0.034 0.000 1.426 372 I CB 0.724 38.746 38.000 0.038 0.000 1.381 372 I HN 0.251 nan 8.210 nan 0.000 0.571 373 P HA 0.046 nan 4.420 nan 0.000 0.275 373 P C -0.600 176.771 177.300 0.119 0.000 1.266 373 P CA -0.407 62.790 63.100 0.161 0.000 0.793 373 P CB 0.489 32.301 31.700 0.188 0.000 1.074 374 E N 0.925 121.128 120.200 0.005 0.000 2.442 374 E HA 0.095 4.444 4.350 -0.000 0.000 0.262 374 E C -2.076 174.278 176.600 -0.410 0.000 1.004 374 E CA -1.305 55.026 56.400 -0.115 0.000 0.928 374 E CB -0.969 28.689 29.700 -0.070 0.000 0.937 374 E HN 0.248 nan 8.360 nan 0.000 0.446 375 P HA 0.042 nan 4.420 nan 0.000 0.269 375 P C -1.193 175.753 177.300 -0.591 0.000 1.209 375 P CA -0.095 62.304 63.100 -1.169 0.000 0.776 375 P CB 0.685 32.050 31.700 -0.558 0.000 0.876 376 V N -1.460 118.185 119.914 -0.448 0.000 3.114 376 V HA 0.858 4.978 4.120 -0.000 0.000 0.308 376 V C -0.402 175.870 176.094 0.296 0.000 1.168 376 V CA -1.617 60.681 62.300 -0.004 0.000 1.015 376 V CB 1.385 33.243 31.823 0.057 0.000 1.050 376 V HN 0.621 nan 8.190 nan 0.000 0.433 377 A N 1.330 124.261 122.820 0.187 0.000 2.507 377 A HA 0.559 4.879 4.320 -0.000 0.000 0.235 377 A C 1.471 179.020 177.584 -0.058 0.000 1.070 377 A CA 0.513 52.610 52.037 0.100 0.000 0.768 377 A CB 0.077 19.069 19.000 -0.015 0.000 1.011 377 A HN 2.138 nan 8.150 nan 0.000 0.502 378 G N -0.568 107.755 108.800 -0.795 0.000 2.683 378 G HA2 0.286 4.246 3.960 -0.000 0.000 0.213 378 G HA3 0.286 4.246 3.960 -0.000 0.000 0.213 378 G C 0.565 175.089 174.900 -0.626 0.000 1.142 378 G CA 0.864 45.241 45.100 -1.204 0.000 0.793 378 G HN 0.967 nan 8.290 nan 0.000 0.534 379 E N -0.218 119.739 120.200 -0.404 0.000 3.304 379 E HA -0.337 4.013 4.350 -0.000 0.000 0.365 379 E C 1.407 177.870 176.600 -0.228 0.000 1.512 379 E CA 1.593 57.860 56.400 -0.221 0.000 1.642 379 E CB -0.946 28.695 29.700 -0.100 0.000 1.738 379 E HN 0.376 nan 8.360 nan 0.000 0.483 380 E N 0.479 120.596 120.200 -0.138 0.000 2.209 380 E HA -0.130 4.220 4.350 -0.000 0.000 0.196 380 E C 1.832 178.347 176.600 -0.140 0.000 0.993 380 E CA 1.103 57.444 56.400 -0.098 0.000 0.819 380 E CB -0.075 29.620 29.700 -0.009 0.000 0.745 380 E HN 0.223 nan 8.360 nan 0.000 0.477 381 L N 0.128 121.184 121.223 -0.279 0.000 2.313 381 L HA 0.146 4.486 4.340 -0.000 0.000 0.214 381 L C 2.038 178.760 176.870 -0.247 0.000 1.119 381 L CA 1.025 55.741 54.840 -0.205 0.000 0.809 381 L CB -1.020 40.840 42.059 -0.332 0.000 0.933 381 L HN 0.140 nan 8.230 nan 0.000 0.449 382 A N 0.383 122.852 122.820 -0.585 0.000 2.076 382 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 382 A C 2.084 179.572 177.584 -0.158 0.000 1.160 382 A CA 1.557 53.254 52.037 -0.567 0.000 0.653 382 A CB -0.460 18.197 19.000 -0.571 0.000 0.801 382 A HN 0.636 nan 8.150 nan 0.000 0.455 383 E N -0.369 119.764 120.200 -0.112 0.000 2.171 383 E HA -0.089 4.261 4.350 -0.000 0.000 0.197 383 E C 1.760 178.288 176.600 -0.120 0.000 0.997 383 E CA 1.202 57.562 56.400 -0.067 0.000 0.810 383 E CB -1.111 28.576 29.700 -0.022 0.000 0.738 383 E HN 0.380 nan 8.360 nan 0.000 0.467 384 G N 1.076 109.751 108.800 -0.208 0.000 2.499 384 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.221 384 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.221 384 G C 1.761 176.485 174.900 -0.294 0.000 1.109 384 G CA 1.506 46.198 45.100 -0.680 0.000 0.749 384 G HN 0.518 nan 8.290 nan 0.000 0.568 385 T N -2.017 112.500 114.554 -0.061 0.000 3.007 385 T HA 0.118 4.468 4.350 -0.000 0.000 0.270 385 T C 2.182 176.866 174.700 -0.027 0.000 1.107 385 T CA 1.312 63.415 62.100 0.005 0.000 1.118 385 T CB -0.033 68.890 68.868 0.092 0.000 0.889 385 T HN 0.210 nan 8.240 nan 0.000 0.506 386 G N 0.459 109.228 108.800 -0.052 0.000 3.042 386 G HA2 0.284 4.244 3.960 -0.000 0.000 0.212 386 G HA3 0.284 4.244 3.960 -0.000 0.000 0.212 386 G C 1.289 176.170 174.900 -0.032 0.000 1.166 386 G CA -0.236 44.845 45.100 -0.032 0.000 0.767 386 G HN 0.490 nan 8.290 nan 0.000 0.546 387 L N 0.659 121.841 121.223 -0.069 0.000 2.046 387 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 387 L C 3.329 180.225 176.870 0.042 0.000 1.077 387 L CA 1.135 55.952 54.840 -0.039 0.000 0.747 387 L CB -0.353 41.646 42.059 -0.100 0.000 0.896 387 L HN 0.280 nan 8.230 nan 0.000 0.432 388 A N 0.447 123.297 122.820 0.051 0.000 1.917 388 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 388 A C 2.387 180.052 177.584 0.136 0.000 1.182 388 A CA 1.960 54.069 52.037 0.120 0.000 0.633 388 A CB -1.344 17.671 19.000 0.024 0.000 0.819 388 A HN 0.467 nan 8.150 nan 0.000 0.448 389 G N -1.123 107.719 108.800 0.071 0.000 2.448 389 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.219 389 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.219 389 G C 1.741 176.678 174.900 0.062 0.000 1.127 389 G CA 0.760 45.899 45.100 0.065 0.000 0.766 389 G HN 0.555 nan 8.290 nan 0.000 0.552 390 R N -0.350 120.179 120.500 0.048 0.000 2.100 390 R HA 0.212 4.552 4.340 -0.000 0.000 0.220 390 R C 2.430 178.742 176.300 0.020 0.000 1.091 390 R CA 0.319 56.434 56.100 0.025 0.000 0.986 390 R CB -0.293 30.011 30.300 0.007 0.000 0.888 390 R HN 0.341 nan 8.270 nan 0.000 0.444 391 L N 0.150 121.410 121.223 0.061 0.000 2.240 391 L HA -0.026 4.314 4.340 -0.000 0.000 0.211 391 L C 2.411 179.244 176.870 -0.062 0.000 1.106 391 L CA 0.870 55.705 54.840 -0.009 0.000 0.793 391 L CB -0.488 41.603 42.059 0.054 0.000 0.927 391 L HN 0.139 nan 8.230 nan 0.000 0.446 392 R N 0.706 121.296 120.500 0.150 0.000 2.115 392 R HA -0.176 4.164 4.340 -0.000 0.000 0.239 392 R C -0.200 176.111 176.300 0.019 0.000 1.133 392 R CA 2.064 58.270 56.100 0.177 0.000 0.935 392 R CB -1.644 28.798 30.300 0.236 0.000 0.853 392 R HN 0.375 nan 8.270 nan 0.000 0.433 393 P HA -0.117 nan 4.420 nan 0.000 0.219 393 P C 1.254 178.506 177.300 -0.079 0.000 1.150 393 P CA 1.000 64.099 63.100 -0.001 0.000 0.814 393 P CB 0.019 31.726 31.700 0.012 0.000 0.787 394 L N -0.176 120.970 121.223 -0.129 0.000 2.017 394 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 394 L C 2.800 179.494 176.870 -0.293 0.000 1.073 394 L CA 1.464 56.182 54.840 -0.203 0.000 0.745 394 L CB -1.775 40.160 42.059 -0.207 0.000 0.894 394 L HN -0.159 nan 8.230 nan 0.000 0.432 395 V N -0.480 119.230 119.914 -0.340 0.000 2.295 395 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 395 V C 2.544 178.533 176.094 -0.176 0.000 1.049 395 V CA 1.620 63.700 62.300 -0.366 0.000 1.024 395 V CB -0.508 30.792 31.823 -0.872 0.000 0.648 395 V HN 0.420 nan 8.190 nan 0.000 0.447 396 R N -0.371 120.094 120.500 -0.058 0.000 2.276 396 R HA -0.035 4.305 4.340 -0.000 0.000 0.203 396 R C 1.615 177.942 176.300 0.044 0.000 1.017 396 R CA 0.625 56.860 56.100 0.225 0.000 1.010 396 R CB -0.049 30.446 30.300 0.326 0.000 0.900 396 R HN 0.597 nan 8.270 nan 0.000 0.469 397 E N 0.475 120.598 120.200 -0.129 0.000 2.463 397 E HA 0.110 4.460 4.350 -0.000 0.000 0.193 397 E C -0.148 176.272 176.600 -0.299 0.000 1.041 397 E CA -0.076 56.207 56.400 -0.196 0.000 0.879 397 E CB 0.384 29.992 29.700 -0.153 0.000 0.997 397 E HN 0.142 nan 8.360 nan 0.000 0.478 398 L N 0.198 121.135 121.223 -0.476 0.000 4.089 398 L HA -0.282 4.058 4.340 -0.000 0.000 0.408 398 L C -0.098 176.188 176.870 -0.973 0.000 1.184 398 L CA 0.701 54.989 54.840 -0.920 0.000 0.947 398 L CB -1.380 40.436 42.059 -0.405 0.000 2.066 398 L HN 0.134 nan 8.230 nan 0.000 0.851 399 K N 0.054 120.008 120.400 -0.743 0.000 3.000 399 K HA 0.269 4.589 4.320 -0.000 0.000 0.239 399 K C 0.895 177.213 176.600 -0.470 0.000 1.269 399 K CA -0.484 55.532 56.287 -0.453 0.000 1.220 399 K CB 0.096 32.393 32.500 -0.337 0.000 1.645 399 K HN 0.077 nan 8.250 nan 0.000 0.423 400 F N 1.010 120.894 119.950 -0.111 0.000 2.120 400 F HA -0.277 4.250 4.527 -0.000 0.000 0.300 400 F C 2.716 178.380 175.800 -0.226 0.000 1.095 400 F CA 1.476 59.307 58.000 -0.283 0.000 1.249 400 F CB -0.952 37.790 39.000 -0.431 0.000 0.995 400 F HN 0.479 nan 8.300 nan 0.000 0.480 401 H N -0.421 118.611 119.070 -0.064 0.000 2.387 401 H HA -0.059 4.497 4.556 -0.000 0.000 0.299 401 H C 2.082 177.360 175.328 -0.084 0.000 1.090 401 H CA 1.890 57.881 56.048 -0.095 0.000 1.332 401 H CB -1.258 28.455 29.762 -0.081 0.000 1.386 401 H HN 0.255 nan 8.280 nan 0.000 0.516 402 V N 1.651 121.151 119.914 -0.690 0.000 2.453 402 V HA -0.099 4.021 4.120 -0.000 0.000 0.247 402 V C 3.201 179.162 176.094 -0.221 0.000 1.048 402 V CA 1.355 63.377 62.300 -0.463 0.000 1.049 402 V CB -1.034 30.480 31.823 -0.515 0.000 0.672 402 V HN 0.639 nan 8.190 nan 0.000 0.457 403 A N 0.003 122.699 122.820 -0.207 0.000 1.902 403 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 403 A C 2.212 179.786 177.584 -0.017 0.000 1.181 403 A CA 1.648 53.616 52.037 -0.114 0.000 0.623 403 A CB -0.526 18.380 19.000 -0.157 0.000 0.818 403 A HN 0.487 nan 8.150 nan 0.000 0.443 404 L N -0.853 120.362 121.223 -0.014 0.000 2.141 404 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 404 L C 2.625 179.556 176.870 0.101 0.000 1.094 404 L CA 1.630 56.518 54.840 0.080 0.000 0.763 404 L CB -0.423 41.652 42.059 0.028 0.000 0.908 404 L HN 0.622 nan 8.230 nan 0.000 0.437 405 E N 0.498 120.717 120.200 0.032 0.000 2.072 405 E HA -0.232 4.118 4.350 -0.000 0.000 0.191 405 E C 1.929 178.566 176.600 0.061 0.000 0.985 405 E CA 1.184 57.612 56.400 0.047 0.000 0.801 405 E CB 0.131 29.830 29.700 -0.001 0.000 0.750 405 E HN 0.494 nan 8.360 nan 0.000 0.452 406 E N 0.023 120.246 120.200 0.037 0.000 2.106 406 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 406 E C 2.042 178.706 176.600 0.107 0.000 0.984 406 E CA 0.719 57.152 56.400 0.055 0.000 0.806 406 E CB -0.067 29.646 29.700 0.021 0.000 0.750 406 E HN 0.337 nan 8.360 nan 0.000 0.458 407 A N 1.350 124.245 122.820 0.125 0.000 1.902 407 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 407 A C 2.138 179.842 177.584 0.201 0.000 1.181 407 A CA 1.209 53.350 52.037 0.173 0.000 0.623 407 A CB -0.262 18.854 19.000 0.194 0.000 0.818 407 A HN 0.115 nan 8.150 nan 0.000 0.443 408 M N -0.481 119.221 119.600 0.170 0.000 2.296 408 M HA -0.028 4.452 4.480 -0.000 0.000 0.265 408 M C 2.408 178.783 176.300 0.124 0.000 1.064 408 M CA 1.247 56.633 55.300 0.142 0.000 1.109 408 M CB -1.375 31.316 32.600 0.152 0.000 1.396 408 M HN 0.504 nan 8.290 nan 0.000 0.430 409 A N -0.868 122.030 122.820 0.131 0.000 1.930 409 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 409 A C 2.089 179.763 177.584 0.151 0.000 1.175 409 A CA 1.246 53.352 52.037 0.116 0.000 0.627 409 A CB -0.993 18.068 19.000 0.102 0.000 0.815 409 A HN 0.479 nan 8.150 nan 0.000 0.443 410 Y N 0.638 120.968 120.300 0.051 0.000 2.200 410 Y HA -0.150 4.400 4.550 -0.000 0.000 0.290 410 Y C 2.338 178.270 175.900 0.053 0.000 1.137 410 Y CA 1.663 59.793 58.100 0.050 0.000 1.163 410 Y CB -0.402 38.092 38.460 0.057 0.000 0.988 410 Y HN 0.061 nan 8.280 nan 0.000 0.518 411 V N 0.868 120.814 119.914 0.053 0.000 2.332 411 V HA -0.334 3.785 4.120 -0.000 0.000 0.248 411 V C 2.294 178.357 176.094 -0.052 0.000 1.055 411 V CA 2.306 64.584 62.300 -0.037 0.000 1.038 411 V CB -0.561 31.282 31.823 0.034 0.000 0.651 411 V HN 0.351 nan 8.190 nan 0.000 0.450 412 K N 0.035 120.434 120.400 -0.002 0.000 2.148 412 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 412 K C 2.296 178.893 176.600 -0.006 0.000 1.050 412 K CA 1.331 57.623 56.287 0.008 0.000 0.942 412 K CB -0.344 32.175 32.500 0.033 0.000 0.724 412 K HN 0.491 nan 8.250 nan 0.000 0.446 413 A N 1.617 124.414 122.820 -0.038 0.000 1.902 413 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 413 A C 2.134 179.677 177.584 -0.069 0.000 1.181 413 A CA 1.140 53.151 52.037 -0.042 0.000 0.623 413 A CB -0.589 18.379 19.000 -0.053 0.000 0.818 413 A HN 0.143 nan 8.150 nan 0.000 0.443 414 L N -0.222 120.882 121.223 -0.197 0.000 2.046 414 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 414 L C 2.475 179.367 176.870 0.036 0.000 1.077 414 L CA 1.313 56.074 54.840 -0.132 0.000 0.747 414 L CB -0.739 41.193 42.059 -0.210 0.000 0.896 414 L HN 0.434 nan 8.230 nan 0.000 0.432 415 N N 0.277 118.989 118.700 0.022 0.000 2.058 415 N HA -0.190 4.550 4.740 -0.000 0.000 0.191 415 N C 2.019 177.582 175.510 0.089 0.000 1.037 415 N CA 1.399 54.486 53.050 0.061 0.000 0.848 415 N CB -0.172 38.340 38.487 0.040 0.000 1.021 415 N HN 0.273 nan 8.380 nan 0.000 0.422 416 R N -0.207 120.338 120.500 0.075 0.000 2.103 416 R HA -0.181 4.159 4.340 -0.000 0.000 0.242 416 R C 2.173 178.528 176.300 0.092 0.000 1.142 416 R CA 1.334 57.480 56.100 0.076 0.000 0.960 416 R CB -0.395 29.944 30.300 0.064 0.000 0.858 416 R HN 0.327 nan 8.270 nan 0.000 0.439 417 Y N 0.843 121.137 120.300 -0.009 0.000 2.070 417 Y HA -0.251 4.298 4.550 -0.000 0.000 0.280 417 Y C 2.114 178.014 175.900 -0.000 0.000 1.148 417 Y CA 1.876 59.968 58.100 -0.013 0.000 1.125 417 Y CB -0.354 38.091 38.460 -0.025 0.000 0.975 417 Y HN 0.028 nan 8.280 nan 0.000 0.492 418 I N 0.204 120.863 120.570 0.149 0.000 2.361 418 I HA -0.361 3.809 4.170 -0.000 0.000 0.251 418 I C 1.455 177.602 176.117 0.050 0.000 1.133 418 I CA 1.655 63.008 61.300 0.089 0.000 1.413 418 I CB -0.292 37.834 38.000 0.210 0.000 1.073 418 I HN 0.338 nan 8.210 nan 0.000 0.424 419 N N 0.659 119.421 118.700 0.103 0.000 2.331 419 N HA -0.149 4.591 4.740 -0.000 0.000 0.180 419 N C 1.570 177.086 175.510 0.010 0.000 1.019 419 N CA 1.040 54.185 53.050 0.159 0.000 0.881 419 N CB -0.053 38.520 38.487 0.143 0.000 0.972 419 N HN 0.504 nan 8.380 nan 0.000 0.435 420 E N -0.027 120.114 120.200 -0.098 0.000 2.140 420 E HA 0.054 4.404 4.350 -0.000 0.000 0.191 420 E C 1.456 177.888 176.600 -0.280 0.000 0.973 420 E CA 0.502 56.807 56.400 -0.157 0.000 0.829 420 E CB 0.272 29.887 29.700 -0.141 0.000 0.781 420 E HN 0.066 nan 8.360 nan 0.000 0.466 421 K N 0.917 121.068 120.400 -0.415 0.000 2.103 421 K HA -0.007 4.313 4.320 -0.000 0.000 0.204 421 K C 0.079 176.366 176.600 -0.522 0.000 1.052 421 K CA 0.528 56.537 56.287 -0.463 0.000 0.945 421 K CB -0.030 32.128 32.500 -0.569 0.000 0.722 421 K HN -0.002 nan 8.250 nan 0.000 0.443 422 K N -0.168 119.793 120.400 -0.731 0.000 4.361 422 K HA -0.140 4.180 4.320 -0.000 0.000 0.294 422 K C -2.340 173.541 176.600 -1.199 0.000 0.970 422 K CA -0.011 55.344 56.287 -1.554 0.000 0.913 422 K CB -0.941 30.821 32.500 -1.230 0.000 1.583 422 K HN 0.068 nan 8.250 nan 0.000 0.438 423 P HA -0.208 nan 4.420 nan 0.000 0.216 423 P C 1.121 178.150 177.300 -0.451 0.000 1.150 423 P CA 1.626 64.509 63.100 -0.362 0.000 0.837 423 P CB -0.114 31.558 31.700 -0.047 0.000 0.786 424 W N 0.470 121.632 121.300 -0.230 0.000 2.364 424 W HA -0.062 4.598 4.660 -0.000 0.000 0.281 424 W C 1.573 177.995 176.519 -0.163 0.000 1.219 424 W CA 0.945 58.118 57.345 -0.287 0.000 1.220 424 W CB -1.509 28.015 29.460 0.106 0.000 1.127 424 W HN 0.016 nan 8.180 nan 0.000 0.556 425 E N 0.729 120.657 120.200 -0.452 0.000 2.140 425 E HA -0.040 4.310 4.350 -0.000 0.000 0.191 425 E C 2.243 178.731 176.600 -0.187 0.000 0.973 425 E CA 0.888 57.151 56.400 -0.228 0.000 0.829 425 E CB -0.341 29.169 29.700 -0.317 0.000 0.781 425 E HN 0.317 nan 8.360 nan 0.000 0.466 426 L N 0.405 121.467 121.223 -0.267 0.000 2.275 426 L HA -0.124 4.216 4.340 -0.000 0.000 0.215 426 L C 2.253 179.047 176.870 -0.126 0.000 1.119 426 L CA 0.467 55.196 54.840 -0.185 0.000 0.790 426 L CB -0.291 41.649 42.059 -0.198 0.000 0.919 426 L HN 0.141 nan 8.230 nan 0.000 0.443 427 F N 1.322 121.076 119.950 -0.326 0.000 2.202 427 F HA -0.263 4.264 4.527 -0.000 0.000 0.301 427 F C 2.250 177.972 175.800 -0.129 0.000 1.082 427 F CA 1.554 59.377 58.000 -0.294 0.000 1.313 427 F CB -0.075 38.572 39.000 -0.588 0.000 1.024 427 F HN -0.107 nan 8.300 nan 0.000 0.495 428 K N 0.485 120.828 120.400 -0.095 0.000 1.969 428 K HA -0.189 4.131 4.320 -0.000 0.000 0.216 428 K C 2.044 178.536 176.600 -0.181 0.000 1.048 428 K CA 2.288 58.506 56.287 -0.115 0.000 0.948 428 K CB -0.297 32.194 32.500 -0.016 0.000 0.726 428 K HN 0.169 nan 8.250 nan 0.000 0.442 429 K N 0.435 120.755 120.400 -0.134 0.000 2.211 429 K HA -0.017 4.303 4.320 -0.000 0.000 0.201 429 K C -0.004 176.514 176.600 -0.137 0.000 1.052 429 K CA 0.800 57.016 56.287 -0.119 0.000 0.973 429 K CB 0.404 32.855 32.500 -0.081 0.000 0.766 429 K HN 0.326 nan 8.250 nan 0.000 0.466 430 E N 0.366 120.476 120.200 -0.149 0.000 3.037 430 E HA 0.167 4.517 4.350 -0.000 0.000 0.220 430 E C -2.708 173.807 176.600 -0.140 0.000 1.142 430 E CA -1.866 54.457 56.400 -0.128 0.000 0.888 430 E CB 1.346 30.993 29.700 -0.089 0.000 1.329 430 E HN -0.104 nan 8.360 nan 0.000 0.409 431 P HA -0.180 nan 4.420 nan 0.000 0.215 431 P C 0.825 178.134 177.300 0.015 0.000 1.153 431 P CA 1.241 64.215 63.100 -0.210 0.000 0.853 431 P CB 0.360 31.809 31.700 -0.419 0.000 0.788 432 E N -0.363 119.829 120.200 -0.012 0.000 2.051 432 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 432 E C 2.012 178.638 176.600 0.042 0.000 0.991 432 E CA 1.160 57.577 56.400 0.028 0.000 0.799 432 E CB -0.933 28.770 29.700 0.004 0.000 0.748 432 E HN 0.226 nan 8.360 nan 0.000 0.449 433 E N 0.387 120.595 120.200 0.013 0.000 2.150 433 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 433 E C 1.821 178.441 176.600 0.033 0.000 0.985 433 E CA 1.162 57.572 56.400 0.017 0.000 0.814 433 E CB -0.325 29.363 29.700 -0.021 0.000 0.752 433 E HN 0.246 nan 8.360 nan 0.000 0.466 434 A N 0.489 123.328 122.820 0.031 0.000 1.898 434 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 434 A C 2.172 179.829 177.584 0.123 0.000 1.181 434 A CA 1.555 53.614 52.037 0.037 0.000 0.620 434 A CB -0.388 18.642 19.000 0.050 0.000 0.819 434 A HN 0.176 nan 8.150 nan 0.000 0.442 435 R N -0.541 120.059 120.500 0.166 0.000 2.115 435 R HA -0.011 4.329 4.340 -0.000 0.000 0.230 435 R C 2.419 178.836 176.300 0.194 0.000 1.111 435 R CA 1.042 57.256 56.100 0.191 0.000 0.976 435 R CB -0.389 30.017 30.300 0.178 0.000 0.870 435 R HN 0.516 nan 8.270 nan 0.000 0.445 436 A N 0.618 123.537 122.820 0.164 0.000 1.898 436 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 436 A C 2.312 180.059 177.584 0.271 0.000 1.181 436 A CA 1.247 53.403 52.037 0.198 0.000 0.620 436 A CB -0.503 18.581 19.000 0.139 0.000 0.819 436 A HN 0.097 nan 8.150 nan 0.000 0.442 437 V N 0.326 120.378 119.914 0.230 0.000 2.255 437 V HA -0.285 3.834 4.120 -0.000 0.000 0.247 437 V C 2.587 178.857 176.094 0.294 0.000 1.051 437 V CA 2.081 64.563 62.300 0.304 0.000 1.018 437 V CB -0.863 31.055 31.823 0.158 0.000 0.641 437 V HN 0.579 nan 8.190 nan 0.000 0.445 438 L N -1.339 120.021 121.223 0.228 0.000 2.079 438 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 438 L C 2.488 179.457 176.870 0.164 0.000 1.081 438 L CA 2.093 57.048 54.840 0.192 0.000 0.752 438 L CB -0.739 41.430 42.059 0.185 0.000 0.896 438 L HN 0.417 nan 8.230 nan 0.000 0.433 439 Y N 1.083 121.457 120.300 0.122 0.000 2.145 439 Y HA -0.247 4.303 4.550 -0.000 0.000 0.286 439 Y C 2.785 178.760 175.900 0.125 0.000 1.145 439 Y CA 1.526 59.683 58.100 0.094 0.000 1.148 439 Y CB -0.146 38.377 38.460 0.105 0.000 0.981 439 Y HN -0.007 nan 8.280 nan 0.000 0.507 440 R N -0.851 119.819 120.500 0.282 0.000 2.096 440 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 440 R C 2.168 178.535 176.300 0.112 0.000 1.127 440 R CA 1.561 57.857 56.100 0.327 0.000 0.968 440 R CB -0.716 29.719 30.300 0.225 0.000 0.861 440 R HN 0.276 nan 8.270 nan 0.000 0.440 441 V N 0.633 120.586 119.914 0.065 0.000 2.358 441 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 441 V C 2.328 178.384 176.094 -0.063 0.000 1.047 441 V CA 1.675 63.988 62.300 0.022 0.000 1.035 441 V CB -0.229 31.649 31.823 0.092 0.000 0.658 441 V HN 0.253 nan 8.190 nan 0.000 0.452 442 V N 0.200 120.029 119.914 -0.141 0.000 2.358 442 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 442 V C 2.440 178.345 176.094 -0.316 0.000 1.047 442 V CA 2.700 64.872 62.300 -0.212 0.000 1.035 442 V CB -0.193 31.489 31.823 -0.234 0.000 0.658 442 V HN 0.652 nan 8.190 nan 0.000 0.452 443 E N 0.911 120.784 120.200 -0.545 0.000 2.106 443 E HA -0.010 4.340 4.350 -0.000 0.000 0.192 443 E C 2.070 178.461 176.600 -0.348 0.000 0.984 443 E CA 1.768 57.762 56.400 -0.677 0.000 0.806 443 E CB -0.980 27.947 29.700 -1.288 0.000 0.750 443 E HN 0.614 nan 8.360 nan 0.000 0.458 444 G N 0.526 109.280 108.800 -0.076 0.000 2.408 444 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 444 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 444 G C 1.589 176.579 174.900 0.148 0.000 1.150 444 G CA 0.756 45.984 45.100 0.214 0.000 0.776 444 G HN 0.302 nan 8.290 nan 0.000 0.542 445 L N -0.224 121.001 121.223 0.003 0.000 2.093 445 L HA 0.000 4.340 4.340 -0.000 0.000 0.208 445 L C 2.936 179.807 176.870 0.002 0.000 1.085 445 L CA 1.026 55.870 54.840 0.007 0.000 0.755 445 L CB -0.310 41.731 42.059 -0.030 0.000 0.904 445 L HN 0.211 nan 8.230 nan 0.000 0.435 446 R N 0.805 121.267 120.500 -0.063 0.000 2.083 446 R HA -0.196 4.144 4.340 -0.000 0.000 0.237 446 R C 2.298 178.582 176.300 -0.027 0.000 1.137 446 R CA 1.717 57.772 56.100 -0.075 0.000 0.951 446 R CB -0.313 29.897 30.300 -0.151 0.000 0.851 446 R HN 0.257 nan 8.270 nan 0.000 0.434 447 I N 0.899 121.470 120.570 0.000 0.000 2.127 447 I HA -0.288 3.882 4.170 -0.000 0.000 0.241 447 I C 2.636 178.804 176.117 0.085 0.000 1.075 447 I CA 1.554 62.878 61.300 0.039 0.000 1.334 447 I CB -0.421 37.629 38.000 0.083 0.000 1.040 447 I HN 0.336 nan 8.210 nan 0.000 0.405 448 A N 0.487 123.414 122.820 0.178 0.000 1.940 448 A HA -0.247 4.072 4.320 -0.000 0.000 0.219 448 A C 2.478 180.139 177.584 0.127 0.000 1.176 448 A CA 2.254 54.408 52.037 0.196 0.000 0.631 448 A CB -0.904 18.247 19.000 0.252 0.000 0.814 448 A HN 0.556 nan 8.150 nan 0.000 0.446 449 S N -0.123 115.627 115.700 0.083 0.000 2.402 449 S HA -0.094 4.376 4.470 -0.000 0.000 0.229 449 S C 1.850 176.481 174.600 0.052 0.000 1.021 449 S CA 1.338 59.575 58.200 0.063 0.000 0.974 449 S CB -0.678 62.539 63.200 0.028 0.000 0.800 449 S HN 0.501 nan 8.310 nan 0.000 0.484 450 I N 1.323 121.909 120.570 0.027 0.000 2.233 450 I HA -0.097 4.073 4.170 -0.000 0.000 0.243 450 I C 2.417 178.544 176.117 0.016 0.000 1.093 450 I CA 1.029 62.322 61.300 -0.011 0.000 1.380 450 I CB -0.444 37.524 38.000 -0.053 0.000 1.067 450 I HN 0.272 nan 8.210 nan 0.000 0.413 451 L N 0.371 121.640 121.223 0.077 0.000 2.079 451 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 451 L C 2.323 179.373 176.870 0.300 0.000 1.081 451 L CA 1.425 56.385 54.840 0.200 0.000 0.752 451 L CB -0.526 41.658 42.059 0.209 0.000 0.896 451 L HN 0.306 nan 8.230 nan 0.000 0.433 452 L N -1.405 119.956 121.223 0.230 0.000 2.558 452 L HA -0.034 4.306 4.340 -0.000 0.000 0.225 452 L C 2.396 179.408 176.870 0.237 0.000 1.128 452 L CA 0.178 55.178 54.840 0.267 0.000 0.868 452 L CB -0.568 41.616 42.059 0.208 0.000 1.006 452 L HN 0.173 nan 8.230 nan 0.000 0.454 453 T N 0.754 115.397 114.554 0.148 0.000 2.699 453 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 453 T C -0.496 174.264 174.700 0.099 0.000 1.036 453 T CA 1.543 63.698 62.100 0.092 0.000 1.147 453 T CB -0.833 68.042 68.868 0.012 0.000 0.862 453 T HN 0.220 nan 8.240 nan 0.000 0.446 454 P HA 0.050 nan 4.420 nan 0.000 0.220 454 P C 1.240 178.684 177.300 0.240 0.000 1.148 454 P CA 0.966 64.036 63.100 -0.049 0.000 0.803 454 P CB -0.085 31.317 31.700 -0.496 0.000 0.782 455 A N -1.326 121.777 122.820 0.472 0.000 1.878 455 A HA 0.080 4.399 4.320 -0.000 0.000 0.213 455 A C 1.384 179.158 177.584 0.318 0.000 1.192 455 A CA 1.103 53.429 52.037 0.482 0.000 0.619 455 A CB -0.484 18.796 19.000 0.466 0.000 0.837 455 A HN 0.084 nan 8.150 nan 0.000 0.446 456 M N 0.415 120.179 119.600 0.273 0.000 2.389 456 M HA 0.223 4.703 4.480 -0.000 0.000 0.206 456 M C -2.213 174.185 176.300 0.163 0.000 0.976 456 M CA -1.532 53.906 55.300 0.230 0.000 0.648 456 M CB 1.988 34.741 32.600 0.256 0.000 1.474 456 M HN 0.104 nan 8.290 nan 0.000 0.398 457 P HA -0.164 nan 4.420 nan 0.000 0.217 457 P C 0.354 177.694 177.300 0.066 0.000 1.150 457 P CA 1.489 64.639 63.100 0.083 0.000 0.832 457 P CB 0.294 32.034 31.700 0.066 0.000 0.787 458 D N 0.086 120.533 120.400 0.077 0.000 2.103 458 D HA -0.090 4.550 4.640 -0.000 0.000 0.199 458 D C 1.966 178.284 176.300 0.029 0.000 0.978 458 D CA 0.995 55.026 54.000 0.052 0.000 0.829 458 D CB -0.162 40.677 40.800 0.065 0.000 0.981 458 D HN 0.103 nan 8.370 nan 0.000 0.464 459 K N 0.403 120.831 120.400 0.047 0.000 2.148 459 K HA 0.010 4.330 4.320 -0.000 0.000 0.204 459 K C 1.968 178.564 176.600 -0.007 0.000 1.050 459 K CA 0.434 56.708 56.287 -0.021 0.000 0.942 459 K CB -0.154 32.358 32.500 0.021 0.000 0.724 459 K HN 0.158 nan 8.250 nan 0.000 0.446 460 M N -0.021 119.609 119.600 0.049 0.000 2.254 460 M HA -0.002 4.478 4.480 -0.000 0.000 0.265 460 M C 2.175 178.480 176.300 0.008 0.000 1.066 460 M CA 0.940 56.264 55.300 0.040 0.000 1.123 460 M CB -1.048 31.591 32.600 0.065 0.000 1.388 460 M HN 0.026 nan 8.290 nan 0.000 0.425 461 A N -0.251 122.572 122.820 0.005 0.000 1.930 461 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 461 A C 2.163 179.734 177.584 -0.022 0.000 1.175 461 A CA 1.755 53.787 52.037 -0.008 0.000 0.627 461 A CB -0.680 18.318 19.000 -0.003 0.000 0.815 461 A HN 0.560 nan 8.150 nan 0.000 0.443 462 E N -0.248 119.932 120.200 -0.034 0.000 2.077 462 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 462 E C 1.973 178.536 176.600 -0.061 0.000 0.989 462 E CA 1.176 57.543 56.400 -0.056 0.000 0.800 462 E CB -0.201 29.444 29.700 -0.093 0.000 0.746 462 E HN 0.619 nan 8.360 nan 0.000 0.452 463 L N 0.684 121.871 121.223 -0.059 0.000 2.017 463 L HA -0.195 4.144 4.340 -0.000 0.000 0.208 463 L C 2.585 179.432 176.870 -0.038 0.000 1.073 463 L CA 1.387 56.198 54.840 -0.048 0.000 0.745 463 L CB -0.147 41.899 42.059 -0.022 0.000 0.894 463 L HN 0.063 nan 8.230 nan 0.000 0.432 464 R N -0.555 119.925 120.500 -0.032 0.000 2.081 464 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 464 R C 2.381 178.658 176.300 -0.037 0.000 1.131 464 R CA 1.548 57.626 56.100 -0.037 0.000 0.960 464 R CB -0.314 29.966 30.300 -0.034 0.000 0.856 464 R HN 0.432 nan 8.270 nan 0.000 0.436 465 R N 0.248 120.729 120.500 -0.032 0.000 2.096 465 R HA -0.071 4.268 4.340 -0.000 0.000 0.235 465 R C 2.257 178.542 176.300 -0.026 0.000 1.127 465 R CA 1.302 57.386 56.100 -0.026 0.000 0.968 465 R CB -0.322 29.965 30.300 -0.022 0.000 0.861 465 R HN 0.200 nan 8.270 nan 0.000 0.440 466 A N 0.796 123.597 122.820 -0.031 0.000 2.019 466 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 466 A C 1.798 179.360 177.584 -0.037 0.000 1.164 466 A CA 1.050 53.071 52.037 -0.026 0.000 0.644 466 A CB -0.139 18.843 19.000 -0.031 0.000 0.805 466 A HN 0.201 nan 8.150 nan 0.000 0.449 467 L N -1.524 119.669 121.223 -0.050 0.000 2.769 467 L HA 0.289 4.629 4.340 -0.000 0.000 0.240 467 L C 1.439 178.267 176.870 -0.070 0.000 1.163 467 L CA 0.343 55.140 54.840 -0.072 0.000 0.962 467 L CB 0.042 42.055 42.059 -0.077 0.000 1.258 467 L HN 0.503 nan 8.230 nan 0.000 0.513 468 G N 0.946 109.717 108.800 -0.050 0.000 2.153 468 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.252 468 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.252 468 G C 0.200 175.076 174.900 -0.041 0.000 0.994 468 G CA 0.114 45.190 45.100 -0.039 0.000 0.698 468 G HN 0.265 nan 8.290 nan 0.000 0.521 469 L N -0.343 120.850 121.223 -0.049 0.000 2.418 469 L HA 0.400 4.740 4.340 -0.000 0.000 0.265 469 L C 1.181 178.026 176.870 -0.041 0.000 1.143 469 L CA -0.789 54.019 54.840 -0.053 0.000 0.809 469 L CB 0.822 42.841 42.059 -0.067 0.000 1.124 469 L HN 0.157 nan 8.230 nan 0.000 0.456 470 K N 1.498 121.873 120.400 -0.041 0.000 2.447 470 K HA -0.017 4.303 4.320 -0.000 0.000 0.281 470 K C 0.693 177.272 176.600 -0.035 0.000 1.031 470 K CA 0.103 56.369 56.287 -0.034 0.000 1.019 470 K CB 0.672 33.151 32.500 -0.035 0.000 0.918 470 K HN 0.574 nan 8.250 nan 0.000 0.476 471 E N 2.387 122.570 120.200 -0.028 0.000 2.028 471 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 471 E C -0.091 176.493 176.600 -0.028 0.000 0.988 471 E CA 0.993 57.377 56.400 -0.026 0.000 0.799 471 E CB 0.084 29.772 29.700 -0.020 0.000 0.755 471 E HN 0.566 nan 8.360 nan 0.000 0.447 472 E N 1.210 121.393 120.200 -0.028 0.000 2.299 472 E HA 0.088 4.438 4.350 -0.000 0.000 0.272 472 E C -0.700 175.876 176.600 -0.041 0.000 1.043 472 E CA -0.306 56.076 56.400 -0.031 0.000 0.895 472 E CB 0.736 30.420 29.700 -0.026 0.000 1.011 472 E HN 0.005 nan 8.360 nan 0.000 0.432 473 V N 1.561 121.444 119.914 -0.051 0.000 3.158 473 V HA 0.754 4.874 4.120 -0.000 0.000 0.311 473 V C -0.502 175.541 176.094 -0.085 0.000 1.181 473 V CA -1.164 61.097 62.300 -0.066 0.000 1.054 473 V CB 2.093 33.875 31.823 -0.068 0.000 1.085 473 V HN 0.663 nan 8.190 nan 0.000 0.446 474 R N -0.115 120.324 120.500 -0.101 0.000 2.725 474 R HA 0.536 4.876 4.340 -0.000 0.000 0.277 474 R C 0.210 176.411 176.300 -0.164 0.000 0.987 474 R CA -0.812 55.210 56.100 -0.129 0.000 0.901 474 R CB 2.078 32.318 30.300 -0.101 0.000 1.207 474 R HN 0.720 nan 8.270 nan 0.000 0.463 475 L N 2.576 123.656 121.223 -0.239 0.000 2.079 475 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 475 L C 2.069 178.830 176.870 -0.182 0.000 1.081 475 L CA 2.284 56.952 54.840 -0.288 0.000 0.752 475 L CB -0.400 41.369 42.059 -0.482 0.000 0.896 475 L HN 0.783 nan 8.230 nan 0.000 0.433 476 E N -0.551 119.564 120.200 -0.142 0.000 2.265 476 E HA -0.248 4.102 4.350 -0.000 0.000 0.196 476 E C 1.735 178.293 176.600 -0.071 0.000 0.996 476 E CA 1.721 58.066 56.400 -0.092 0.000 0.832 476 E CB -0.615 29.040 29.700 -0.075 0.000 0.756 476 E HN 0.640 nan 8.360 nan 0.000 0.491 477 E N 0.240 120.392 120.200 -0.080 0.000 2.204 477 E HA -0.074 4.276 4.350 -0.000 0.000 0.194 477 E C 1.799 178.362 176.600 -0.061 0.000 0.989 477 E CA 0.885 57.245 56.400 -0.066 0.000 0.824 477 E CB -0.127 29.530 29.700 -0.073 0.000 0.756 477 E HN 0.504 nan 8.360 nan 0.000 0.477 478 A N 1.029 123.809 122.820 -0.067 0.000 2.235 478 A HA -0.098 4.222 4.320 -0.000 0.000 0.208 478 A C 1.370 178.940 177.584 -0.023 0.000 1.172 478 A CA 0.543 52.551 52.037 -0.049 0.000 0.786 478 A CB -0.060 18.905 19.000 -0.058 0.000 0.804 478 A HN 0.124 nan 8.150 nan 0.000 0.479 479 E N -0.494 119.694 120.200 -0.021 0.000 2.476 479 E HA 0.125 4.475 4.350 -0.000 0.000 0.196 479 E C -0.126 176.495 176.600 0.035 0.000 1.029 479 E CA -0.070 56.332 56.400 0.003 0.000 0.896 479 E CB 0.403 30.096 29.700 -0.011 0.000 1.012 479 E HN 0.424 nan 8.360 nan 0.000 0.475 480 R N 0.554 121.080 120.500 0.043 0.000 2.744 480 R HA 0.304 4.644 4.340 -0.000 0.000 0.279 480 R C -1.237 175.138 176.300 0.125 0.000 0.977 480 R CA -0.729 55.419 56.100 0.080 0.000 0.906 480 R CB 2.057 32.379 30.300 0.036 0.000 1.197 480 R HN 0.065 nan 8.270 nan 0.000 0.463 481 W N 2.001 123.312 121.300 0.019 0.000 2.496 481 W HA 0.385 5.045 4.660 -0.000 0.000 0.327 481 W C 0.157 176.725 176.519 0.080 0.000 1.086 481 W CA 0.222 57.596 57.345 0.048 0.000 1.222 481 W CB 1.632 31.121 29.460 0.049 0.000 1.304 481 W HN 0.845 nan 8.180 nan 0.000 0.547 482 G N 3.598 111.998 108.800 -0.667 0.000 2.131 482 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.201 482 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.201 482 G C 0.037 174.886 174.900 -0.085 0.000 1.000 482 G CA 0.095 45.060 45.100 -0.225 0.000 0.680 482 G HN 0.451 nan 8.290 nan 0.000 0.514 483 L N 0.879 122.007 121.223 -0.159 0.000 2.270 483 L HA 0.545 4.885 4.340 -0.000 0.000 0.210 483 L C 2.246 179.080 176.870 -0.060 0.000 1.104 483 L CA 1.391 56.179 54.840 -0.088 0.000 0.804 483 L CB -0.560 41.440 42.059 -0.099 0.000 0.937 483 L HN 0.644 nan 8.230 nan 0.000 0.450 484 A N 0.499 123.264 122.820 -0.092 0.000 2.522 484 A HA 0.134 4.454 4.320 -0.000 0.000 0.256 484 A C 0.332 177.970 177.584 0.090 0.000 1.086 484 A CA -0.080 51.919 52.037 -0.064 0.000 0.763 484 A CB -0.432 18.423 19.000 -0.242 0.000 1.024 484 A HN 0.333 nan 8.150 nan 0.000 0.502 485 E N 3.579 123.803 120.200 0.041 0.000 2.313 485 E HA 0.269 4.619 4.350 -0.000 0.000 0.272 485 E C -2.229 174.411 176.600 0.066 0.000 1.038 485 E CA -1.972 54.459 56.400 0.052 0.000 0.863 485 E CB 0.940 30.649 29.700 0.014 0.000 1.060 485 E HN 0.486 nan 8.360 nan 0.000 0.402 486 P HA 0.036 nan 4.420 nan 0.000 0.256 486 P C -0.956 176.362 177.300 0.029 0.000 1.688 486 P CA 0.413 63.548 63.100 0.058 0.000 1.162 486 P CB 0.120 31.843 31.700 0.038 0.000 1.870 487 R N 2.802 123.313 120.500 0.018 0.000 2.892 487 R HA 0.602 4.942 4.340 -0.000 0.000 0.265 487 R C -2.683 173.613 176.300 -0.007 0.000 1.025 487 R CA -2.648 53.456 56.100 0.006 0.000 0.982 487 R CB 0.778 31.079 30.300 0.000 0.000 1.185 487 R HN 0.111 nan 8.270 nan 0.000 0.484 488 P HA 0.071 nan 4.420 nan 0.000 0.269 488 P C -0.545 176.742 177.300 -0.022 0.000 1.209 488 P CA -0.020 63.077 63.100 -0.004 0.000 0.776 488 P CB 0.437 32.153 31.700 0.026 0.000 0.876 489 I N 0.019 120.556 120.570 -0.056 0.000 2.676 489 I HA 0.640 4.810 4.170 -0.000 0.000 0.309 489 I C -2.354 173.794 176.117 0.051 0.000 0.990 489 I CA -3.252 58.013 61.300 -0.059 0.000 1.168 489 I CB 1.453 39.342 38.000 -0.185 0.000 1.343 489 I HN 0.114 nan 8.210 nan 0.000 0.482 490 P HA 0.012 nan 4.420 nan 0.000 0.268 490 P C 0.321 177.769 177.300 0.245 0.000 1.204 490 P CA 0.069 63.236 63.100 0.111 0.000 0.768 490 P CB 0.559 32.296 31.700 0.061 0.000 0.842 491 E N 2.496 122.812 120.200 0.194 0.000 2.204 491 E HA -0.155 4.194 4.350 -0.000 0.000 0.195 491 E C -0.153 176.455 176.600 0.013 0.000 0.990 491 E CA 1.334 57.806 56.400 0.121 0.000 0.821 491 E CB 0.096 29.782 29.700 -0.023 0.000 0.750 491 E HN 0.596 nan 8.360 nan 0.000 0.477 492 E N -0.427 119.802 120.200 0.047 0.000 2.367 492 E HA 0.707 5.057 4.350 -0.000 0.000 0.273 492 E C -1.395 175.229 176.600 0.041 0.000 0.903 492 E CA -0.795 55.617 56.400 0.019 0.000 0.764 492 E CB 2.428 32.117 29.700 -0.018 0.000 1.252 492 E HN 0.210 nan 8.360 nan 0.000 0.446 493 A N 2.279 125.118 122.820 0.031 0.000 2.577 493 A HA 0.600 4.920 4.320 -0.000 0.000 0.297 493 A C -2.764 174.820 177.584 0.001 0.000 1.060 493 A CA -1.165 50.883 52.037 0.017 0.000 0.697 493 A CB 0.806 19.822 19.000 0.027 0.000 1.281 493 A HN 0.392 nan 8.150 nan 0.000 0.402 494 P HA 0.417 nan 4.420 nan 0.000 0.272 494 P C -0.312 176.970 177.300 -0.029 0.000 1.230 494 P CA -0.459 62.629 63.100 -0.021 0.000 0.788 494 P CB 0.557 32.239 31.700 -0.030 0.000 0.949 495 V N 2.820 122.722 119.914 -0.019 0.000 2.599 495 V HA -0.091 4.029 4.120 -0.000 0.000 0.300 495 V C 1.749 177.801 176.094 -0.070 0.000 1.034 495 V CA 0.142 62.432 62.300 -0.016 0.000 1.115 495 V CB 0.488 32.322 31.823 0.018 0.000 0.934 495 V HN 0.546 nan 8.190 nan 0.000 0.485 496 L N 5.606 126.757 121.223 -0.119 0.000 2.079 496 L HA 0.002 4.342 4.340 -0.000 0.000 0.210 496 L C 0.635 177.144 176.870 -0.602 0.000 1.081 496 L CA 1.994 56.628 54.840 -0.343 0.000 0.752 496 L CB -0.191 41.668 42.059 -0.333 0.000 0.896 496 L HN 0.590 nan 8.230 nan 0.000 0.433 497 F N 0.988 120.923 119.950 -0.024 0.000 2.686 497 F HA 0.390 4.917 4.527 -0.000 0.000 0.365 497 F C -2.090 173.764 175.800 0.089 0.000 1.196 497 F CA -2.553 55.432 58.000 -0.024 0.000 1.198 497 F CB 0.219 39.010 39.000 -0.349 0.000 1.454 497 F HN -0.052 nan 8.300 nan 0.000 0.539 498 P HA 0.008 nan 4.420 nan 0.000 0.268 498 P C -0.283 177.197 177.300 0.300 0.000 1.208 498 P CA -0.350 62.878 63.100 0.213 0.000 0.777 498 P CB 0.990 32.764 31.700 0.124 0.000 0.875 499 K N 1.995 122.514 120.400 0.199 0.000 2.448 499 K HA 0.137 4.457 4.320 -0.000 0.000 0.278 499 K C 0.543 177.202 176.600 0.098 0.000 1.009 499 K CA 0.652 57.047 56.287 0.180 0.000 0.995 499 K CB -0.052 32.513 32.500 0.108 0.000 0.917 499 K HN 0.310 nan 8.250 nan 0.000 0.481 500 K N 0.000 120.432 120.400 0.054 0.000 2.780 500 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 500 K CA 0.000 56.226 56.287 -0.101 0.000 0.838 500 K CB 0.000 32.288 32.500 -0.354 0.000 1.064 500 K HN 0.000 nan 8.250 nan 0.000 0.543