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 1c8f_1_A DATA FIRST_RESID 37 DATA SEQUENCE GVGISTGTFN NQTEFKFLEN GWVEITANSS RLVHLNMPES ENYKRVVVNN DATA SEQUENCE MDKTAVKGNM ALDDIHVEIV TPWSLVDANA WGVWFNPGDW QLIVNTMSEL DATA SEQUENCE HLVSFEQEIF NVVLKTVSES ATQPPTKVYN NDLTASLMVA LDSNNTMPFT DATA SEQUENCE PAAMRSETLG FYPWKPTIPT PWRYYFQWDR TLIPSHTGTS GTPTNVYHGT DATA SEQUENCE DPDDVQFYTI ENSVPVHLLR TGDEFATGTF FFDCKPCRLT HTWQTNRALG DATA SEQUENCE LPPFLNSLPQ SEGATNFGDI GVQQDKRRGV TQMGNTDYIT EATIMRPAEV DATA SEQUENCE GYSAPYYSFE ASTQGPFKTP IAAGRGGAQT DENQAADGDP RYAFGRQHGQ DATA SEQUENCE KTTTTGETPE RFTYIAHQDT GRYPEGDWIQ NINFNLPVTN DNVLLPTDPI DATA SEQUENCE GGKTGINYTN IFNTYGPLTA LNNVPPVYPN GQIWDKEFDT DLKPRLHINA DATA SEQUENCE PFVcQNNcPG QLFVKVAPNL TNQYDPDASA NMSRIVTYSD FWWKGKLVFK DATA SEQUENCE AKLRASHTWN PIQQMSINVD NQFNYVPNNI GAMKIVYEKS QLAPRKLY 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 37 G HA2 0.000 nan 3.960 nan 0.000 0.244 37 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 37 G C 0.000 174.922 174.900 0.037 0.000 0.946 37 G CA 0.000 45.118 45.100 0.031 0.000 0.502 38 V N -1.423 118.513 119.914 0.036 0.000 2.825 38 V HA 0.385 4.505 4.120 -0.001 0.000 0.246 38 V C 1.893 178.014 176.094 0.045 0.000 1.068 38 V CA 1.854 64.178 62.300 0.041 0.000 1.088 38 V CB 0.256 32.100 31.823 0.036 0.000 0.733 38 V HN 0.554 nan 8.190 nan 0.000 0.468 39 G N 0.393 109.215 108.800 0.038 0.000 3.124 39 G HA2 0.339 4.299 3.960 -0.001 0.000 0.212 39 G HA3 0.339 4.299 3.960 -0.001 0.000 0.212 39 G C 0.032 174.954 174.900 0.037 0.000 1.181 39 G CA 0.124 45.246 45.100 0.037 0.000 0.803 39 G HN 0.458 nan 8.290 nan 0.000 0.529 40 I N 0.436 121.030 120.570 0.041 0.000 2.465 40 I HA 0.317 4.486 4.170 -0.001 0.000 0.291 40 I C 0.147 176.295 176.117 0.052 0.000 1.014 40 I CA -0.561 60.761 61.300 0.037 0.000 1.093 40 I CB 2.131 40.148 38.000 0.028 0.000 1.267 40 I HN -0.195 nan 8.210 nan 0.000 0.431 41 S N 2.461 118.189 115.700 0.047 0.000 2.585 41 S HA 0.276 4.745 4.470 -0.001 0.000 0.273 41 S C 0.879 175.514 174.600 0.058 0.000 1.339 41 S CA -0.165 58.075 58.200 0.068 0.000 1.028 41 S CB 0.569 63.794 63.200 0.042 0.000 0.906 41 S HN 0.766 nan 8.310 nan 0.000 0.528 42 T N -1.179 113.442 114.554 0.112 0.000 3.182 42 T HA 0.565 4.914 4.350 -0.001 0.000 0.277 42 T C 0.357 175.051 174.700 -0.010 0.000 1.013 42 T CA -0.071 62.077 62.100 0.080 0.000 0.900 42 T CB 0.079 69.032 68.868 0.142 0.000 1.098 42 T HN 0.741 nan 8.240 nan 0.000 0.543 43 G N -0.349 108.347 108.800 -0.173 0.000 2.495 43 G HA2 0.542 4.502 3.960 -0.001 0.000 0.294 43 G HA3 0.542 4.502 3.960 -0.001 0.000 0.294 43 G C -1.713 172.667 174.900 -0.865 0.000 1.397 43 G CA -0.600 43.962 45.100 -0.897 0.000 0.790 43 G HN 0.130 nan 8.290 nan 0.000 0.486 44 T N 0.167 114.082 114.554 -1.066 0.000 2.893 44 T HA 0.539 4.888 4.350 -0.001 0.000 0.293 44 T C -1.385 173.187 174.700 -0.213 0.000 1.027 44 T CA -0.264 61.571 62.100 -0.442 0.000 0.988 44 T CB 1.475 70.192 68.868 -0.252 0.000 1.043 44 T HN 0.489 nan 8.240 nan 0.000 0.461 45 F N 4.279 124.177 119.950 -0.087 0.000 2.427 45 F HA 0.583 5.109 4.527 -0.001 0.000 0.352 45 F C 0.324 176.159 175.800 0.059 0.000 1.100 45 F CA -0.350 57.694 58.000 0.073 0.000 1.191 45 F CB 0.484 39.491 39.000 0.011 0.000 1.128 45 F HN 0.373 nan 8.300 nan 0.000 0.533 46 N N 5.178 123.664 118.700 -0.356 0.000 2.542 46 N HA 0.132 4.872 4.740 -0.001 0.000 0.288 46 N C -1.837 173.528 175.510 -0.241 0.000 1.115 46 N CA -0.260 52.698 53.050 -0.154 0.000 0.924 46 N CB 1.115 39.566 38.487 -0.061 0.000 1.526 46 N HN 0.776 nan 8.380 nan 0.000 0.515 47 N N 2.773 121.438 118.700 -0.058 0.000 2.571 47 N HA 0.144 4.883 4.740 -0.001 0.000 0.298 47 N C -1.085 174.534 175.510 0.183 0.000 1.671 47 N CA -0.028 53.049 53.050 0.046 0.000 0.900 47 N CB 0.831 39.388 38.487 0.116 0.000 1.365 47 N HN 0.589 nan 8.380 nan 0.000 0.493 48 Q N -0.045 119.854 119.800 0.164 0.000 2.222 48 Q HA 0.381 4.721 4.340 -0.001 0.000 0.252 48 Q C -0.554 175.576 176.000 0.218 0.000 0.926 48 Q CA -0.324 55.599 55.803 0.200 0.000 0.899 48 Q CB 1.804 30.642 28.738 0.167 0.000 1.250 48 Q HN -0.015 nan 8.270 nan 0.000 0.441 49 T N 2.442 117.164 114.554 0.281 0.000 2.772 49 T HA 0.244 4.594 4.350 -0.001 0.000 0.288 49 T C -0.783 174.105 174.700 0.314 0.000 0.994 49 T CA -0.598 61.695 62.100 0.322 0.000 0.951 49 T CB 0.574 69.752 68.868 0.516 0.000 0.933 49 T HN 0.409 nan 8.240 nan 0.000 0.447 50 E N 2.259 122.565 120.200 0.176 0.000 2.197 50 E HA 0.411 4.760 4.350 -0.001 0.000 0.281 50 E C -1.006 175.614 176.600 0.033 0.000 0.995 50 E CA -0.528 55.967 56.400 0.159 0.000 0.808 50 E CB 1.040 30.793 29.700 0.088 0.000 1.093 50 E HN 0.413 nan 8.360 nan 0.000 0.394 51 F N 2.557 122.471 119.950 -0.060 0.000 2.375 51 F HA 0.269 4.795 4.527 -0.001 0.000 0.361 51 F C 0.316 175.867 175.800 -0.415 0.000 1.117 51 F CA -0.732 57.110 58.000 -0.263 0.000 1.037 51 F CB 1.201 39.989 39.000 -0.354 0.000 1.192 51 F HN 0.180 nan 8.300 nan 0.000 0.452 52 K N 5.089 125.343 120.400 -0.245 0.000 2.316 52 K HA 0.429 4.749 4.320 -0.001 0.000 0.267 52 K C -1.325 175.159 176.600 -0.194 0.000 1.025 52 K CA -0.469 55.721 56.287 -0.162 0.000 0.896 52 K CB 0.479 32.956 32.500 -0.039 0.000 1.124 52 K HN 0.320 nan 8.250 nan 0.000 0.451 53 F N 4.786 124.812 119.950 0.127 0.000 2.438 53 F HA 0.172 4.699 4.527 -0.001 0.000 0.356 53 F C 0.405 176.264 175.800 0.099 0.000 1.099 53 F CA -0.565 57.503 58.000 0.114 0.000 1.185 53 F CB 0.384 39.436 39.000 0.087 0.000 1.115 53 F HN 0.319 nan 8.300 nan 0.000 0.526 54 L N 1.388 122.784 121.223 0.289 0.000 2.902 54 L HA 0.451 4.791 4.340 -0.001 0.000 0.229 54 L C 0.318 177.304 176.870 0.193 0.000 1.324 54 L CA -0.984 53.979 54.840 0.204 0.000 1.230 54 L CB 0.055 42.224 42.059 0.184 0.000 2.134 54 L HN 0.326 nan 8.230 nan 0.000 0.567 55 E N 1.184 121.478 120.200 0.158 0.000 2.266 55 E HA 0.227 4.576 4.350 -0.001 0.000 0.277 55 E C -0.551 176.165 176.600 0.194 0.000 1.018 55 E CA -0.138 56.343 56.400 0.135 0.000 0.840 55 E CB 0.496 30.248 29.700 0.088 0.000 1.082 55 E HN 0.484 nan 8.360 nan 0.000 0.395 56 N N 1.405 120.199 118.700 0.157 0.000 2.783 56 N HA -0.171 4.568 4.740 -0.001 0.000 0.247 56 N C 0.476 176.098 175.510 0.186 0.000 1.089 56 N CA 0.912 54.072 53.050 0.182 0.000 0.690 56 N CB -1.720 36.909 38.487 0.237 0.000 0.991 56 N HN 0.829 nan 8.380 nan 0.000 0.552 57 G N -1.311 107.551 108.800 0.104 0.000 2.323 57 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.292 57 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.292 57 G C -0.326 174.497 174.900 -0.128 0.000 1.040 57 G CA 0.537 45.632 45.100 -0.008 0.000 0.942 57 G HN 0.493 nan 8.290 nan 0.000 0.506 58 W N -0.990 120.378 121.300 0.114 0.000 2.656 58 W HA 0.623 5.282 4.660 -0.001 0.000 0.327 58 W C 0.242 176.840 176.519 0.131 0.000 1.041 58 W CA -0.715 56.691 57.345 0.100 0.000 1.229 58 W CB 1.988 31.475 29.460 0.046 0.000 1.397 58 W HN 0.618 nan 8.180 nan 0.000 0.479 59 V N 0.480 120.584 119.914 0.317 0.000 2.815 59 V HA 0.607 4.726 4.120 -0.001 0.000 0.314 59 V C -0.774 175.395 176.094 0.125 0.000 1.064 59 V CA -1.073 61.325 62.300 0.164 0.000 0.952 59 V CB 1.922 33.778 31.823 0.054 0.000 1.020 59 V HN 0.623 nan 8.190 nan 0.000 0.439 60 E N 3.687 123.894 120.200 0.012 0.000 2.101 60 E HA 0.488 4.838 4.350 -0.001 0.000 0.260 60 E C -1.089 175.460 176.600 -0.085 0.000 0.897 60 E CA -0.707 55.702 56.400 0.015 0.000 0.744 60 E CB 1.194 30.905 29.700 0.018 0.000 1.140 60 E HN 0.808 nan 8.360 nan 0.000 0.419 61 I N 3.752 124.273 120.570 -0.082 0.000 2.352 61 I HA 0.143 4.312 4.170 -0.001 0.000 0.290 61 I C -0.046 176.076 176.117 0.008 0.000 1.036 61 I CA -0.065 61.101 61.300 -0.223 0.000 1.336 61 I CB 1.540 39.379 38.000 -0.268 0.000 1.407 61 I HN 0.380 nan 8.210 nan 0.000 0.497 62 T N 6.278 120.812 114.554 -0.033 0.000 2.893 62 T HA 0.526 4.876 4.350 -0.001 0.000 0.324 62 T C -0.016 174.749 174.700 0.108 0.000 1.082 62 T CA -0.519 61.606 62.100 0.043 0.000 0.983 62 T CB 0.956 69.835 68.868 0.019 0.000 1.005 62 T HN 0.646 nan 8.240 nan 0.000 0.475 63 A N 4.349 127.262 122.820 0.156 0.000 2.252 63 A HA 0.631 4.950 4.320 -0.001 0.000 0.309 63 A C 0.012 177.762 177.584 0.278 0.000 1.285 63 A CA -0.761 51.389 52.037 0.189 0.000 0.900 63 A CB -0.002 18.991 19.000 -0.013 0.000 1.157 63 A HN 0.777 nan 8.150 nan 0.000 0.536 64 N N 0.976 119.827 118.700 0.251 0.000 2.430 64 N HA 0.566 5.305 4.740 -0.001 0.000 0.292 64 N C -0.725 174.906 175.510 0.203 0.000 1.051 64 N CA -0.105 53.076 53.050 0.218 0.000 0.917 64 N CB 1.803 40.348 38.487 0.097 0.000 1.164 64 N HN 0.472 nan 8.380 nan 0.000 0.484 65 S N 0.933 116.721 115.700 0.147 0.000 2.614 65 S HA 0.634 5.103 4.470 -0.001 0.000 0.288 65 S C -1.326 173.223 174.600 -0.086 0.000 1.137 65 S CA -0.564 57.641 58.200 0.007 0.000 0.992 65 S CB 0.506 63.610 63.200 -0.160 0.000 1.026 65 S HN 0.402 nan 8.310 nan 0.000 0.486 66 S N 2.841 118.440 115.700 -0.168 0.000 2.566 66 S HA 0.816 5.285 4.470 -0.001 0.000 0.298 66 S C -0.713 174.012 174.600 0.209 0.000 1.083 66 S CA -0.806 57.297 58.200 -0.162 0.000 0.978 66 S CB 1.768 64.424 63.200 -0.906 0.000 1.073 66 S HN 0.779 nan 8.310 nan 0.000 0.491 67 R N 0.775 121.555 120.500 0.466 0.000 2.629 67 R HA 0.496 4.835 4.340 -0.001 0.000 0.266 67 R C -2.177 174.232 176.300 0.182 0.000 1.051 67 R CA -0.698 55.634 56.100 0.387 0.000 0.895 67 R CB 1.009 31.468 30.300 0.267 0.000 1.246 67 R HN 0.480 nan 8.270 nan 0.000 0.459 68 L N 4.125 125.232 121.223 -0.193 0.000 2.257 68 L HA 0.533 4.872 4.340 -0.001 0.000 0.290 68 L C -1.312 175.235 176.870 -0.539 0.000 1.044 68 L CA -0.276 54.078 54.840 -0.810 0.000 0.810 68 L CB 1.510 42.834 42.059 -1.226 0.000 1.193 68 L HN 0.382 nan 8.230 nan 0.000 0.425 69 V N 5.394 124.898 119.914 -0.682 0.000 2.481 69 V HA 0.356 4.476 4.120 -0.001 0.000 0.286 69 V C -0.098 175.604 176.094 -0.653 0.000 1.042 69 V CA -0.656 61.226 62.300 -0.695 0.000 0.928 69 V CB 1.113 32.310 31.823 -1.044 0.000 0.986 69 V HN 0.778 nan 8.190 nan 0.000 0.462 70 H N 5.142 123.959 119.070 -0.422 0.000 2.459 70 H HA 0.675 5.230 4.556 -0.001 0.000 0.332 70 H C -1.614 173.628 175.328 -0.142 0.000 1.094 70 H CA -0.743 55.160 56.048 -0.240 0.000 1.224 70 H CB 1.946 31.612 29.762 -0.159 0.000 1.449 70 H HN 0.534 nan 8.280 nan 0.000 0.484 71 L N 5.041 125.969 121.223 -0.492 0.000 2.438 71 L HA 0.366 4.705 4.340 -0.001 0.000 0.270 71 L C -1.353 175.398 176.870 -0.198 0.000 0.972 71 L CA -0.389 54.327 54.840 -0.207 0.000 0.831 71 L CB 1.770 43.856 42.059 0.044 0.000 1.273 71 L HN 0.651 nan 8.230 nan 0.000 0.405 72 N N 3.678 122.323 118.700 -0.092 0.000 2.489 72 N HA 0.553 5.292 4.740 -0.001 0.000 0.284 72 N C -0.486 175.020 175.510 -0.007 0.000 1.158 72 N CA -0.734 52.304 53.050 -0.021 0.000 0.965 72 N CB 1.407 39.901 38.487 0.011 0.000 1.195 72 N HN 0.717 nan 8.380 nan 0.000 0.506 73 M N 2.683 122.288 119.600 0.008 0.000 2.250 73 M HA 0.105 4.585 4.480 -0.001 0.000 0.337 73 M C -2.051 174.230 176.300 -0.032 0.000 1.161 73 M CA -0.794 54.496 55.300 -0.017 0.000 1.088 73 M CB 0.507 33.110 32.600 0.005 0.000 1.639 73 M HN 0.374 nan 8.290 nan 0.000 0.447 74 P HA 0.040 nan 4.420 nan 0.000 0.271 74 P C -0.799 176.475 177.300 -0.043 0.000 1.218 74 P CA -0.014 63.049 63.100 -0.061 0.000 0.780 74 P CB 0.433 32.067 31.700 -0.110 0.000 0.901 75 E N 0.622 120.802 120.200 -0.033 0.000 2.274 75 E HA -0.003 4.346 4.350 -0.001 0.000 0.194 75 E C 0.632 177.215 176.600 -0.029 0.000 0.996 75 E CA 0.436 56.820 56.400 -0.026 0.000 0.840 75 E CB -0.075 29.611 29.700 -0.023 0.000 0.772 75 E HN 0.315 nan 8.360 nan 0.000 0.491 76 S N -1.491 114.185 115.700 -0.040 0.000 2.618 76 S HA 0.312 4.781 4.470 -0.001 0.000 0.277 76 S C -0.386 174.179 174.600 -0.059 0.000 1.138 76 S CA -0.782 57.395 58.200 -0.038 0.000 0.844 76 S CB 1.405 64.584 63.200 -0.035 0.000 1.127 76 S HN 0.075 nan 8.310 nan 0.000 0.474 77 E N 1.191 121.365 120.200 -0.043 0.000 2.489 77 E HA 0.195 4.545 4.350 -0.001 0.000 0.204 77 E C -0.534 176.033 176.600 -0.055 0.000 1.006 77 E CA 0.236 56.599 56.400 -0.061 0.000 0.936 77 E CB 0.189 29.875 29.700 -0.024 0.000 1.002 77 E HN 0.652 nan 8.360 nan 0.000 0.488 78 N N -0.589 118.095 118.700 -0.026 0.000 2.459 78 N HA 0.271 5.010 4.740 -0.001 0.000 0.288 78 N C -0.774 174.734 175.510 -0.003 0.000 1.186 78 N CA -0.613 52.459 53.050 0.036 0.000 0.917 78 N CB 0.434 38.978 38.487 0.096 0.000 1.219 78 N HN -0.174 nan 8.380 nan 0.000 0.525 79 Y N 0.096 120.493 120.300 0.161 0.000 2.309 79 Y HA 0.306 4.856 4.550 -0.001 0.000 0.327 79 Y C 0.401 176.313 175.900 0.020 0.000 1.172 79 Y CA 0.101 58.304 58.100 0.171 0.000 1.280 79 Y CB 0.861 39.565 38.460 0.408 0.000 1.234 79 Y HN 0.180 nan 8.280 nan 0.000 0.512 80 K N 2.383 122.833 120.400 0.084 0.000 2.318 80 K HA 0.502 4.821 4.320 -0.001 0.000 0.249 80 K C -0.884 175.627 176.600 -0.147 0.000 0.942 80 K CA -1.170 55.086 56.287 -0.053 0.000 0.808 80 K CB 2.425 34.885 32.500 -0.067 0.000 1.189 80 K HN 0.514 nan 8.250 nan 0.000 0.428 81 R N 2.538 122.892 120.500 -0.243 0.000 2.239 81 R HA 0.311 4.650 4.340 -0.001 0.000 0.332 81 R C -1.324 174.801 176.300 -0.291 0.000 0.988 81 R CA -0.414 55.470 56.100 -0.361 0.000 0.859 81 R CB 0.686 30.657 30.300 -0.549 0.000 1.148 81 R HN 0.326 nan 8.270 nan 0.000 0.482 82 V N 5.055 124.812 119.914 -0.262 0.000 2.513 82 V HA 0.403 4.522 4.120 -0.001 0.000 0.299 82 V C -0.221 175.691 176.094 -0.304 0.000 1.035 82 V CA -0.810 61.343 62.300 -0.245 0.000 0.889 82 V CB 1.951 33.650 31.823 -0.206 0.000 0.988 82 V HN 0.462 nan 8.190 nan 0.000 0.440 83 V N 4.742 124.461 119.914 -0.326 0.000 2.483 83 V HA 0.487 4.606 4.120 -0.001 0.000 0.295 83 V C -0.249 175.546 176.094 -0.499 0.000 1.035 83 V CA -0.536 61.489 62.300 -0.458 0.000 0.896 83 V CB 2.011 33.560 31.823 -0.456 0.000 0.986 83 V HN 0.593 nan 8.190 nan 0.000 0.447 84 V N 4.872 124.376 119.914 -0.683 0.000 2.378 84 V HA 0.442 4.561 4.120 -0.001 0.000 0.288 84 V C -0.151 175.642 176.094 -0.501 0.000 1.016 84 V CA -0.478 61.476 62.300 -0.576 0.000 0.840 84 V CB 1.415 32.781 31.823 -0.761 0.000 0.994 84 V HN 0.952 nan 8.190 nan 0.000 0.431 85 N N 4.008 122.501 118.700 -0.344 0.000 2.549 85 N HA 0.262 5.001 4.740 -0.001 0.000 0.281 85 N C -0.369 175.046 175.510 -0.159 0.000 1.084 85 N CA -0.453 52.435 53.050 -0.269 0.000 0.862 85 N CB 0.988 39.301 38.487 -0.290 0.000 1.333 85 N HN 0.730 nan 8.380 nan 0.000 0.523 86 N N 4.967 123.600 118.700 -0.112 0.000 2.920 86 N HA 0.039 4.778 4.740 -0.001 0.000 0.310 86 N C 0.709 176.187 175.510 -0.053 0.000 1.384 86 N CA -0.372 52.635 53.050 -0.072 0.000 1.083 86 N CB 0.444 38.901 38.487 -0.051 0.000 1.389 86 N HN 0.628 nan 8.380 nan 0.000 0.521 87 M N 0.981 120.547 119.600 -0.056 0.000 2.267 87 M HA -0.202 4.277 4.480 -0.001 0.000 0.263 87 M C 1.426 177.706 176.300 -0.034 0.000 1.063 87 M CA 1.673 56.951 55.300 -0.038 0.000 1.090 87 M CB -0.038 32.541 32.600 -0.036 0.000 1.392 87 M HN 0.305 nan 8.290 nan 0.000 0.422 88 D N -0.404 119.973 120.400 -0.039 0.000 2.182 88 D HA -0.242 4.397 4.640 -0.001 0.000 0.201 88 D C 1.563 177.844 176.300 -0.031 0.000 0.986 88 D CA 1.260 55.240 54.000 -0.034 0.000 0.847 88 D CB -0.374 40.404 40.800 -0.036 0.000 0.942 88 D HN 0.316 nan 8.370 nan 0.000 0.467 89 K N 0.186 120.567 120.400 -0.031 0.000 2.128 89 K HA -0.001 4.319 4.320 -0.001 0.000 0.202 89 K C 2.370 178.952 176.600 -0.029 0.000 1.050 89 K CA 1.449 57.719 56.287 -0.029 0.000 0.966 89 K CB -0.461 32.023 32.500 -0.027 0.000 0.759 89 K HN 0.408 nan 8.250 nan 0.000 0.454 90 T N -0.934 113.604 114.554 -0.026 0.000 3.118 90 T HA 0.104 4.454 4.350 -0.001 0.000 0.260 90 T C 1.917 176.601 174.700 -0.027 0.000 1.139 90 T CA 0.790 62.875 62.100 -0.025 0.000 1.085 90 T CB 0.049 68.909 68.868 -0.013 0.000 0.934 90 T HN 0.069 nan 8.240 nan 0.000 0.518 91 A N 1.408 124.211 122.820 -0.027 0.000 1.930 91 A HA 0.229 4.548 4.320 -0.001 0.000 0.217 91 A C 1.332 178.897 177.584 -0.031 0.000 1.175 91 A CA 0.433 52.454 52.037 -0.027 0.000 0.627 91 A CB -0.726 18.258 19.000 -0.027 0.000 0.815 91 A HN 0.440 nan 8.150 nan 0.000 0.443 92 V N 2.418 122.313 119.914 -0.031 0.000 2.421 92 V HA 0.017 4.136 4.120 -0.001 0.000 0.271 92 V C 0.263 176.333 176.094 -0.039 0.000 1.031 92 V CA -0.163 62.118 62.300 -0.032 0.000 1.032 92 V CB 0.010 31.816 31.823 -0.029 0.000 1.009 92 V HN 0.406 nan 8.190 nan 0.000 0.477 93 K N 4.107 124.481 120.400 -0.044 0.000 2.511 93 K HA 0.297 4.617 4.320 -0.001 0.000 0.280 93 K C 1.220 177.793 176.600 -0.045 0.000 1.008 93 K CA 0.866 57.118 56.287 -0.057 0.000 1.050 93 K CB 0.205 32.657 32.500 -0.081 0.000 0.889 93 K HN 1.083 nan 8.250 nan 0.000 0.484 94 G N 2.545 111.315 108.800 -0.049 0.000 2.144 94 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.218 94 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.218 94 G C 0.097 174.960 174.900 -0.062 0.000 0.988 94 G CA -0.314 44.763 45.100 -0.039 0.000 0.659 94 G HN 0.636 nan 8.290 nan 0.000 0.522 95 N N -0.276 118.383 118.700 -0.068 0.000 2.282 95 N HA 0.313 5.052 4.740 -0.001 0.000 0.240 95 N C 2.014 177.469 175.510 -0.092 0.000 1.182 95 N CA 0.342 53.348 53.050 -0.074 0.000 0.874 95 N CB 0.005 38.461 38.487 -0.051 0.000 1.126 95 N HN 0.461 nan 8.380 nan 0.000 0.516 96 M N 0.219 119.747 119.600 -0.120 0.000 2.089 96 M HA -0.172 4.307 4.480 -0.001 0.000 0.257 96 M C 2.097 178.303 176.300 -0.157 0.000 1.071 96 M CA 1.972 57.194 55.300 -0.131 0.000 1.096 96 M CB -0.481 32.017 32.600 -0.171 0.000 1.330 96 M HN 0.159 nan 8.290 nan 0.000 0.403 97 A N 0.027 122.682 122.820 -0.276 0.000 2.131 97 A HA -0.048 4.272 4.320 -0.001 0.000 0.220 97 A C 1.947 179.500 177.584 -0.052 0.000 1.158 97 A CA 1.144 53.032 52.037 -0.249 0.000 0.665 97 A CB -0.994 17.782 19.000 -0.373 0.000 0.795 97 A HN 0.533 nan 8.150 nan 0.000 0.460 98 L N 0.189 121.380 121.223 -0.053 0.000 2.653 98 L HA 0.081 4.420 4.340 -0.001 0.000 0.232 98 L C 0.130 177.004 176.870 0.007 0.000 1.169 98 L CA -0.396 54.435 54.840 -0.015 0.000 0.951 98 L CB -0.504 41.538 42.059 -0.028 0.000 1.181 98 L HN 0.246 nan 8.230 nan 0.000 0.460 99 D N 0.295 120.710 120.400 0.024 0.000 2.417 99 D HA -0.020 4.619 4.640 -0.001 0.000 0.250 99 D C 0.308 176.653 176.300 0.075 0.000 1.166 99 D CA 0.449 54.478 54.000 0.049 0.000 0.881 99 D CB 0.946 41.790 40.800 0.074 0.000 1.164 99 D HN -0.029 nan 8.370 nan 0.000 0.467 100 D N 2.794 123.229 120.400 0.058 0.000 2.500 100 D HA 0.098 4.738 4.640 -0.001 0.000 0.217 100 D C 0.325 176.691 176.300 0.109 0.000 1.159 100 D CA -0.390 53.664 54.000 0.091 0.000 0.828 100 D CB 0.032 40.871 40.800 0.065 0.000 1.039 100 D HN 0.498 nan 8.370 nan 0.000 0.512 101 I N 2.829 123.402 120.570 0.005 0.000 2.598 101 I HA 0.056 4.226 4.170 -0.001 0.000 0.284 101 I C -0.497 175.424 176.117 -0.328 0.000 1.140 101 I CA 0.433 61.623 61.300 -0.184 0.000 1.420 101 I CB 0.035 37.918 38.000 -0.195 0.000 1.387 101 I HN 0.090 nan 8.210 nan 0.000 0.553 102 H N 5.185 123.794 119.070 -0.769 0.000 2.932 102 H HA 0.521 5.076 4.556 -0.001 0.000 0.307 102 H C -1.919 172.796 175.328 -1.021 0.000 1.391 102 H CA -0.893 54.272 56.048 -1.473 0.000 1.130 102 H CB 1.286 30.613 29.762 -0.724 0.000 1.836 102 H HN 0.334 nan 8.280 nan 0.000 0.522 103 V N 1.213 120.656 119.914 -0.784 0.000 2.588 103 V HA 0.363 4.483 4.120 -0.001 0.000 0.304 103 V C -0.285 175.903 176.094 0.157 0.000 1.042 103 V CA -0.681 61.484 62.300 -0.226 0.000 0.877 103 V CB 1.595 33.473 31.823 0.091 0.000 0.996 103 V HN 0.886 nan 8.190 nan 0.000 0.425 104 E N 4.609 124.805 120.200 -0.006 0.000 2.317 104 E HA 0.627 4.976 4.350 -0.001 0.000 0.270 104 E C -1.578 174.901 176.600 -0.202 0.000 0.885 104 E CA -0.986 55.400 56.400 -0.024 0.000 0.760 104 E CB 2.523 32.187 29.700 -0.060 0.000 1.227 104 E HN 0.377 nan 8.360 nan 0.000 0.434 105 I N 2.672 123.009 120.570 -0.388 0.000 2.325 105 I HA 0.167 4.336 4.170 -0.001 0.000 0.291 105 I C -0.277 175.625 176.117 -0.357 0.000 1.019 105 I CA -0.834 60.208 61.300 -0.430 0.000 1.302 105 I CB 1.333 38.940 38.000 -0.654 0.000 1.401 105 I HN 0.470 nan 8.210 nan 0.000 0.485 106 V N 6.440 126.262 119.914 -0.153 0.000 2.368 106 V HA 0.214 4.333 4.120 -0.001 0.000 0.266 106 V C 0.772 176.885 176.094 0.032 0.000 1.045 106 V CA -0.482 61.766 62.300 -0.086 0.000 0.899 106 V CB 1.083 32.859 31.823 -0.080 0.000 1.006 106 V HN 0.889 nan 8.190 nan 0.000 0.470 107 T N 3.295 117.899 114.554 0.084 0.000 2.934 107 T HA 0.471 4.820 4.350 -0.001 0.000 0.283 107 T C -1.669 173.057 174.700 0.044 0.000 1.005 107 T CA -2.077 60.099 62.100 0.127 0.000 1.041 107 T CB 1.990 71.183 68.868 0.543 0.000 1.042 107 T HN 0.495 nan 8.240 nan 0.000 0.505 108 P HA 0.223 nan 4.420 nan 0.000 0.256 108 P C -0.947 176.283 177.300 -0.118 0.000 1.384 108 P CA -0.305 62.710 63.100 -0.141 0.000 0.879 108 P CB -0.199 31.334 31.700 -0.278 0.000 1.403 109 W N 0.194 121.538 121.300 0.073 0.000 2.578 109 W HA 0.440 5.099 4.660 -0.001 0.000 0.353 109 W C 0.293 176.966 176.519 0.256 0.000 1.088 109 W CA -0.140 57.300 57.345 0.158 0.000 1.235 109 W CB 1.315 30.877 29.460 0.170 0.000 1.362 109 W HN -0.294 nan 8.180 nan 0.000 0.592 110 S N 2.003 118.003 115.700 0.500 0.000 2.532 110 S HA 0.620 5.089 4.470 -0.001 0.000 0.301 110 S C -1.211 173.641 174.600 0.420 0.000 1.083 110 S CA -0.826 57.610 58.200 0.393 0.000 1.025 110 S CB 1.237 64.576 63.200 0.233 0.000 1.056 110 S HN 0.451 nan 8.310 nan 0.000 0.494 111 L N 2.740 124.155 121.223 0.321 0.000 2.307 111 L HA 0.659 4.999 4.340 -0.001 0.000 0.284 111 L C -1.338 175.540 176.870 0.013 0.000 1.023 111 L CA -0.704 54.211 54.840 0.124 0.000 0.810 111 L CB 1.085 43.244 42.059 0.167 0.000 1.231 111 L HN 0.417 nan 8.230 nan 0.000 0.423 112 V N 4.538 124.399 119.914 -0.088 0.000 2.288 112 V HA 0.266 4.386 4.120 -0.001 0.000 0.266 112 V C -0.222 175.764 176.094 -0.179 0.000 1.048 112 V CA -0.468 61.761 62.300 -0.118 0.000 0.842 112 V CB 0.738 32.517 31.823 -0.074 0.000 1.064 112 V HN 0.661 nan 8.190 nan 0.000 0.472 113 D N 3.860 124.147 120.400 -0.188 0.000 2.233 113 D HA 0.589 5.228 4.640 -0.001 0.000 0.240 113 D C 0.276 176.421 176.300 -0.259 0.000 1.074 113 D CA -0.194 53.691 54.000 -0.193 0.000 0.838 113 D CB 2.408 43.105 40.800 -0.173 0.000 1.124 113 D HN 0.511 nan 8.370 nan 0.000 0.475 114 A N 3.721 126.412 122.820 -0.215 0.000 2.585 114 A HA 0.045 4.364 4.320 -0.001 0.000 0.266 114 A C 0.678 178.187 177.584 -0.125 0.000 1.178 114 A CA -0.395 51.508 52.037 -0.223 0.000 0.966 114 A CB -0.004 18.885 19.000 -0.185 0.000 1.170 114 A HN 0.435 nan 8.150 nan 0.000 0.558 115 N N 2.291 120.784 118.700 -0.344 0.000 2.819 115 N HA 0.449 5.188 4.740 -0.001 0.000 0.284 115 N C -0.591 174.652 175.510 -0.445 0.000 1.196 115 N CA 0.868 53.503 53.050 -0.692 0.000 1.114 115 N CB -0.299 37.519 38.487 -1.115 0.000 1.437 115 N HN 0.493 nan 8.380 nan 0.000 0.518 116 A N 1.894 124.557 122.820 -0.262 0.000 2.530 116 A HA 0.209 4.529 4.320 -0.001 0.000 0.297 116 A C 0.247 177.741 177.584 -0.150 0.000 1.059 116 A CA -0.872 51.033 52.037 -0.219 0.000 0.782 116 A CB -0.269 18.659 19.000 -0.121 0.000 1.301 116 A HN 0.473 nan 8.150 nan 0.000 0.394 117 W N 2.123 123.378 121.300 -0.075 0.000 2.290 117 W HA -0.205 4.455 4.660 -0.001 0.000 0.311 117 W C 2.199 178.547 176.519 -0.284 0.000 1.238 117 W CA 2.258 59.595 57.345 -0.013 0.000 1.255 117 W CB -0.057 29.322 29.460 -0.135 0.000 1.145 117 W HN 0.938 nan 8.180 nan 0.000 0.506 118 G N -0.065 108.259 108.800 -0.792 0.000 2.479 118 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.220 118 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.220 118 G C 1.326 175.598 174.900 -1.047 0.000 1.115 118 G CA 1.424 45.531 45.100 -1.655 0.000 0.757 118 G HN 0.229 nan 8.290 nan 0.000 0.560 119 V N -1.052 118.479 119.914 -0.639 0.000 2.667 119 V HA -0.073 4.046 4.120 -0.001 0.000 0.252 119 V C 2.133 177.906 176.094 -0.534 0.000 1.065 119 V CA 1.438 63.450 62.300 -0.480 0.000 1.083 119 V CB -0.498 30.929 31.823 -0.660 0.000 0.692 119 V HN 0.648 nan 8.190 nan 0.000 0.468 120 W N -1.873 119.379 121.300 -0.080 0.000 2.808 120 W HA 0.402 5.061 4.660 -0.001 0.000 0.266 120 W C 0.555 176.871 176.519 -0.338 0.000 1.247 120 W CA -0.440 56.766 57.345 -0.231 0.000 1.440 120 W CB 0.151 29.355 29.460 -0.427 0.000 1.040 120 W HN 0.016 nan 8.180 nan 0.000 0.606 121 F N 1.797 122.048 119.950 0.502 0.000 2.551 121 F HA 0.291 4.817 4.527 -0.001 0.000 0.316 121 F C 0.243 176.291 175.800 0.413 0.000 1.089 121 F CA -1.502 56.778 58.000 0.466 0.000 0.915 121 F CB 1.079 40.414 39.000 0.558 0.000 1.186 121 F HN -0.285 nan 8.300 nan 0.000 0.456 122 N N 1.745 120.769 118.700 0.540 0.000 2.476 122 N HA 0.464 5.203 4.740 -0.001 0.000 0.276 122 N C -2.499 173.202 175.510 0.318 0.000 1.204 122 N CA -2.253 51.058 53.050 0.435 0.000 0.974 122 N CB 0.318 39.034 38.487 0.381 0.000 1.204 122 N HN 0.110 nan 8.380 nan 0.000 0.543 123 P HA -0.143 nan 4.420 nan 0.000 0.218 123 P C 1.225 178.541 177.300 0.027 0.000 1.152 123 P CA 2.259 65.440 63.100 0.136 0.000 0.857 123 P CB -0.140 31.717 31.700 0.261 0.000 0.787 124 G N -0.167 108.675 108.800 0.069 0.000 2.434 124 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.214 124 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.214 124 G C 1.211 176.119 174.900 0.013 0.000 1.202 124 G CA 1.026 46.133 45.100 0.012 0.000 0.788 124 G HN 0.188 nan 8.290 nan 0.000 0.539 125 D N -0.133 120.349 120.400 0.135 0.000 2.092 125 D HA -0.156 4.483 4.640 -0.001 0.000 0.193 125 D C 1.978 178.258 176.300 -0.034 0.000 0.994 125 D CA 0.804 54.903 54.000 0.165 0.000 0.828 125 D CB -0.543 40.535 40.800 0.463 0.000 0.963 125 D HN 0.492 nan 8.370 nan 0.000 0.450 126 W N 2.023 123.171 121.300 -0.254 0.000 2.321 126 W HA -0.243 4.416 4.660 -0.001 0.000 0.306 126 W C 2.300 178.606 176.519 -0.355 0.000 1.217 126 W CA 1.650 58.714 57.345 -0.468 0.000 1.257 126 W CB -0.162 28.793 29.460 -0.841 0.000 1.145 126 W HN 0.111 nan 8.180 nan 0.000 0.509 127 Q N 0.305 119.986 119.800 -0.199 0.000 2.135 127 Q HA -0.265 4.075 4.340 -0.001 0.000 0.204 127 Q C 2.347 178.176 176.000 -0.284 0.000 0.981 127 Q CA 1.845 57.510 55.803 -0.230 0.000 0.856 127 Q CB -0.506 28.131 28.738 -0.168 0.000 0.902 127 Q HN 0.287 nan 8.270 nan 0.000 0.425 128 L N 0.693 121.755 121.223 -0.269 0.000 2.017 128 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 128 L C 2.073 178.776 176.870 -0.277 0.000 1.073 128 L CA 1.640 56.319 54.840 -0.268 0.000 0.745 128 L CB -0.443 41.410 42.059 -0.343 0.000 0.894 128 L HN 0.318 nan 8.230 nan 0.000 0.432 129 I N -1.741 118.605 120.570 -0.374 0.000 2.142 129 I HA -0.279 3.891 4.170 -0.001 0.000 0.240 129 I C 2.362 178.169 176.117 -0.517 0.000 1.078 129 I CA 1.283 62.309 61.300 -0.457 0.000 1.343 129 I CB -0.491 37.031 38.000 -0.797 0.000 1.046 129 I HN 0.048 nan 8.210 nan 0.000 0.405 130 V N 1.253 120.744 119.914 -0.705 0.000 2.490 130 V HA -0.236 3.884 4.120 -0.001 0.000 0.250 130 V C 2.006 177.921 176.094 -0.298 0.000 1.061 130 V CA 1.793 63.768 62.300 -0.542 0.000 1.064 130 V CB -0.733 30.725 31.823 -0.609 0.000 0.670 130 V HN 0.439 nan 8.190 nan 0.000 0.461 131 N N -0.234 118.310 118.700 -0.260 0.000 2.395 131 N HA -0.061 4.678 4.740 -0.001 0.000 0.175 131 N C 1.913 177.333 175.510 -0.151 0.000 1.029 131 N CA 1.656 54.600 53.050 -0.176 0.000 0.897 131 N CB 0.089 38.481 38.487 -0.159 0.000 0.991 131 N HN 0.687 nan 8.380 nan 0.000 0.441 132 T N -3.218 111.241 114.554 -0.158 0.000 2.955 132 T HA 0.268 4.618 4.350 -0.001 0.000 0.251 132 T C 0.664 175.300 174.700 -0.108 0.000 1.002 132 T CA -0.204 61.824 62.100 -0.119 0.000 0.970 132 T CB 0.396 69.206 68.868 -0.096 0.000 1.091 132 T HN -0.229 nan 8.240 nan 0.000 0.495 133 M N 2.765 122.287 119.600 -0.130 0.000 2.288 133 M HA 0.476 4.956 4.480 -0.001 0.000 0.334 133 M C 1.475 177.700 176.300 -0.125 0.000 1.150 133 M CA -0.398 54.830 55.300 -0.120 0.000 1.118 133 M CB 1.127 33.650 32.600 -0.127 0.000 1.501 133 M HN 0.357 nan 8.290 nan 0.000 0.462 134 S N 0.041 115.670 115.700 -0.117 0.000 2.506 134 S HA 0.150 4.620 4.470 -0.001 0.000 0.219 134 S C 0.184 174.743 174.600 -0.068 0.000 1.031 134 S CA -0.091 58.054 58.200 -0.091 0.000 0.911 134 S CB 0.386 63.535 63.200 -0.085 0.000 0.812 134 S HN 0.777 nan 8.310 nan 0.000 0.497 135 E N -0.228 119.935 120.200 -0.062 0.000 2.412 135 E HA 0.652 5.002 4.350 -0.001 0.000 0.279 135 E C -1.988 174.642 176.600 0.050 0.000 0.984 135 E CA -1.137 55.258 56.400 -0.008 0.000 0.788 135 E CB 1.041 30.758 29.700 0.029 0.000 1.277 135 E HN 0.136 nan 8.360 nan 0.000 0.455 136 L N 1.706 122.973 121.223 0.073 0.000 2.365 136 L HA 0.455 4.794 4.340 -0.001 0.000 0.273 136 L C -1.362 175.625 176.870 0.194 0.000 1.000 136 L CA -0.461 54.514 54.840 0.224 0.000 0.819 136 L CB 1.780 44.014 42.059 0.290 0.000 1.284 136 L HN 0.626 nan 8.230 nan 0.000 0.418 137 H N 4.821 124.118 119.070 0.378 0.000 2.547 137 H HA 0.367 4.923 4.556 -0.001 0.000 0.342 137 H C -1.098 174.257 175.328 0.044 0.000 1.048 137 H CA -0.838 55.344 56.048 0.224 0.000 1.204 137 H CB 2.439 32.327 29.762 0.210 0.000 1.493 137 H HN 0.404 nan 8.280 nan 0.000 0.511 138 L N 4.807 125.843 121.223 -0.311 0.000 2.283 138 L HA 0.108 4.448 4.340 -0.001 0.000 0.287 138 L C 0.161 176.783 176.870 -0.415 0.000 1.073 138 L CA 0.119 54.508 54.840 -0.752 0.000 0.822 138 L CB 0.458 41.612 42.059 -1.509 0.000 1.186 138 L HN 0.434 nan 8.230 nan 0.000 0.436 139 V N 2.863 122.599 119.914 -0.297 0.000 2.403 139 V HA 0.266 4.386 4.120 -0.001 0.000 0.239 139 V C 0.809 177.004 176.094 0.167 0.000 1.041 139 V CA 1.162 63.454 62.300 -0.013 0.000 1.051 139 V CB 0.020 31.849 31.823 0.011 0.000 0.704 139 V HN 0.912 nan 8.190 nan 0.000 0.472 140 S N -1.093 114.627 115.700 0.034 0.000 2.588 140 S HA 0.681 5.151 4.470 -0.001 0.000 0.269 140 S C -1.466 173.145 174.600 0.018 0.000 1.157 140 S CA -0.576 57.604 58.200 -0.033 0.000 0.824 140 S CB 2.537 65.438 63.200 -0.498 0.000 1.126 140 S HN 0.197 nan 8.310 nan 0.000 0.464 141 F N 1.396 121.209 119.950 -0.228 0.000 2.569 141 F HA 0.725 5.251 4.527 -0.001 0.000 0.312 141 F C -1.263 174.427 175.800 -0.184 0.000 1.109 141 F CA -0.618 57.262 58.000 -0.201 0.000 0.919 141 F CB 1.815 40.706 39.000 -0.182 0.000 1.211 141 F HN 0.972 nan 8.300 nan 0.000 0.446 142 E N 4.802 124.475 120.200 -0.879 0.000 2.343 142 E HA 0.584 4.933 4.350 -0.001 0.000 0.278 142 E C -2.103 174.070 176.600 -0.712 0.000 0.910 142 E CA -1.030 54.913 56.400 -0.762 0.000 0.757 142 E CB 2.621 32.065 29.700 -0.427 0.000 1.218 142 E HN 0.708 nan 8.360 nan 0.000 0.435 143 Q N 1.464 120.950 119.800 -0.523 0.000 2.484 143 Q HA 0.594 4.933 4.340 -0.001 0.000 0.285 143 Q C -1.180 174.711 176.000 -0.183 0.000 1.097 143 Q CA -1.154 54.466 55.803 -0.306 0.000 0.802 143 Q CB 2.866 31.652 28.738 0.080 0.000 1.444 143 Q HN 0.681 nan 8.270 nan 0.000 0.429 144 E N 0.942 121.038 120.200 -0.174 0.000 2.375 144 E HA 0.458 4.807 4.350 -0.001 0.000 0.280 144 E C -1.722 174.993 176.600 0.192 0.000 0.972 144 E CA -0.644 55.769 56.400 0.022 0.000 0.782 144 E CB 1.762 31.438 29.700 -0.040 0.000 1.229 144 E HN 0.633 nan 8.360 nan 0.000 0.439 145 I N 4.715 125.483 120.570 0.329 0.000 2.378 145 I HA 0.465 4.634 4.170 -0.001 0.000 0.291 145 I C -0.708 175.637 176.117 0.380 0.000 0.992 145 I CA -0.702 60.797 61.300 0.332 0.000 1.154 145 I CB 0.742 38.841 38.000 0.166 0.000 1.315 145 I HN 0.453 nan 8.210 nan 0.000 0.448 146 F N 3.463 123.577 119.950 0.274 0.000 2.692 146 F HA 0.514 5.040 4.527 -0.001 0.000 0.320 146 F C 0.234 176.231 175.800 0.328 0.000 1.123 146 F CA -1.395 56.737 58.000 0.221 0.000 0.961 146 F CB 0.769 39.846 39.000 0.128 0.000 1.383 146 F HN 0.419 nan 8.300 nan 0.000 0.483 147 N N 0.507 119.476 118.700 0.448 0.000 2.699 147 N HA -0.156 4.584 4.740 -0.001 0.000 0.256 147 N C -0.768 174.939 175.510 0.328 0.000 0.993 147 N CA 0.473 53.738 53.050 0.359 0.000 0.759 147 N CB -0.514 38.196 38.487 0.372 0.000 0.906 147 N HN 0.420 nan 8.380 nan 0.000 0.541 148 V N 1.090 121.152 119.914 0.246 0.000 2.740 148 V HA 0.207 4.326 4.120 -0.001 0.000 0.303 148 V C 0.837 177.019 176.094 0.147 0.000 1.054 148 V CA 0.150 62.574 62.300 0.205 0.000 1.106 148 V CB 1.776 33.673 31.823 0.123 0.000 0.957 148 V HN 0.053 nan 8.190 nan 0.000 0.486 149 V N 5.873 125.856 119.914 0.114 0.000 2.841 149 V HA 0.569 4.688 4.120 -0.001 0.000 0.310 149 V C -0.674 175.392 176.094 -0.047 0.000 1.090 149 V CA -0.613 61.708 62.300 0.034 0.000 0.930 149 V CB 2.061 33.899 31.823 0.025 0.000 1.014 149 V HN 0.640 nan 8.190 nan 0.000 0.425 150 L N 4.359 125.525 121.223 -0.095 0.000 2.439 150 L HA 0.596 4.936 4.340 -0.001 0.000 0.270 150 L C -0.399 176.338 176.870 -0.222 0.000 0.972 150 L CA -0.316 54.423 54.840 -0.169 0.000 0.836 150 L CB 1.942 43.948 42.059 -0.087 0.000 1.255 150 L HN 0.545 nan 8.230 nan 0.000 0.404 151 K N 1.268 121.401 120.400 -0.444 0.000 2.281 151 K HA 0.705 5.025 4.320 -0.001 0.000 0.242 151 K C -0.888 175.631 176.600 -0.134 0.000 0.971 151 K CA -0.880 55.215 56.287 -0.320 0.000 0.834 151 K CB 2.596 34.851 32.500 -0.409 0.000 1.181 151 K HN 0.296 nan 8.250 nan 0.000 0.435 152 T N 1.235 115.824 114.554 0.058 0.000 2.792 152 T HA 0.300 4.649 4.350 -0.001 0.000 0.280 152 T C -0.813 174.008 174.700 0.200 0.000 0.990 152 T CA -0.572 61.604 62.100 0.127 0.000 0.960 152 T CB 1.022 69.925 68.868 0.058 0.000 0.939 152 T HN 0.178 nan 8.240 nan 0.000 0.439 153 V N 4.318 124.365 119.914 0.221 0.000 2.432 153 V HA 0.476 4.596 4.120 -0.001 0.000 0.275 153 V C 0.140 176.236 176.094 0.002 0.000 1.043 153 V CA -0.524 61.848 62.300 0.120 0.000 0.925 153 V CB 1.442 33.351 31.823 0.142 0.000 0.985 153 V HN 0.948 nan 8.190 nan 0.000 0.466 154 S N 3.339 118.987 115.700 -0.086 0.000 2.552 154 S HA 0.390 4.860 4.470 -0.001 0.000 0.314 154 S C -0.373 174.162 174.600 -0.109 0.000 1.099 154 S CA -0.657 57.500 58.200 -0.071 0.000 1.070 154 S CB 1.509 64.677 63.200 -0.053 0.000 0.998 154 S HN 0.807 nan 8.310 nan 0.000 0.474 155 E N 2.131 122.288 120.200 -0.072 0.000 1.932 155 E HA 0.137 4.486 4.350 -0.001 0.000 0.275 155 E C -0.079 176.486 176.600 -0.058 0.000 1.159 155 E CA -0.012 56.345 56.400 -0.071 0.000 0.905 155 E CB 0.369 30.041 29.700 -0.047 0.000 1.059 155 E HN 0.496 nan 8.360 nan 0.000 0.400 156 S N 3.845 119.504 115.700 -0.068 0.000 3.944 156 S HA 0.097 4.566 4.470 -0.001 0.000 0.215 156 S C 0.659 175.237 174.600 -0.036 0.000 1.220 156 S CA 0.011 58.182 58.200 -0.048 0.000 0.950 156 S CB -0.743 62.426 63.200 -0.050 0.000 1.615 156 S HN 0.571 nan 8.310 nan 0.000 0.466 157 A N 3.571 126.373 122.820 -0.030 0.000 2.879 157 A HA 0.161 4.480 4.320 -0.001 0.000 0.246 157 A C 0.867 178.440 177.584 -0.018 0.000 1.921 157 A CA 0.399 52.422 52.037 -0.023 0.000 1.626 157 A CB -0.858 18.131 19.000 -0.019 0.000 0.790 157 A HN 0.590 nan 8.150 nan 0.000 0.625 158 T N -0.503 114.040 114.554 -0.019 0.000 2.848 158 T HA 0.484 4.834 4.350 -0.001 0.000 0.285 158 T C 0.523 175.216 174.700 -0.013 0.000 0.995 158 T CA -0.202 61.889 62.100 -0.014 0.000 0.970 158 T CB 0.431 69.292 68.868 -0.013 0.000 0.976 158 T HN 0.593 nan 8.240 nan 0.000 0.441 159 Q N 2.635 122.429 119.800 -0.010 0.000 1.972 159 Q HA -0.182 4.158 4.340 -0.001 0.000 0.352 159 Q C -1.370 174.624 176.000 -0.010 0.000 1.270 159 Q CA 2.063 57.861 55.803 -0.009 0.000 0.950 159 Q CB -2.716 26.017 28.738 -0.007 0.000 2.089 159 Q HN 0.647 nan 8.270 nan 0.000 0.757 160 P HA -0.000 nan 4.420 nan 0.000 0.216 160 P C -1.097 176.196 177.300 -0.012 0.000 1.150 160 P CA 2.215 65.309 63.100 -0.010 0.000 0.837 160 P CB -0.967 30.728 31.700 -0.008 0.000 0.786 161 P HA 0.214 nan 4.420 nan 0.000 0.341 161 P C -0.229 177.057 177.300 -0.024 0.000 1.297 161 P CA -0.033 63.055 63.100 -0.019 0.000 0.761 161 P CB 0.450 32.137 31.700 -0.021 0.000 1.574 162 T N -1.003 113.532 114.554 -0.032 0.000 2.936 162 T HA 0.500 4.849 4.350 -0.001 0.000 0.282 162 T C -0.153 174.499 174.700 -0.080 0.000 1.003 162 T CA -0.571 61.502 62.100 -0.045 0.000 1.005 162 T CB 1.125 69.969 68.868 -0.040 0.000 1.097 162 T HN 0.246 nan 8.240 nan 0.000 0.532 163 K N 0.660 120.985 120.400 -0.125 0.000 2.427 163 K HA 0.676 4.995 4.320 -0.001 0.000 0.252 163 K C -1.780 174.601 176.600 -0.366 0.000 0.931 163 K CA -0.704 55.432 56.287 -0.251 0.000 0.793 163 K CB 2.072 34.400 32.500 -0.287 0.000 1.211 163 K HN 0.310 nan 8.250 nan 0.000 0.426 164 V N 4.205 123.872 119.914 -0.412 0.000 2.525 164 V HA 0.341 4.461 4.120 -0.001 0.000 0.299 164 V C -1.314 174.562 176.094 -0.364 0.000 1.034 164 V CA -0.921 61.183 62.300 -0.327 0.000 0.863 164 V CB 1.046 32.793 31.823 -0.126 0.000 0.999 164 V HN 0.627 nan 8.190 nan 0.000 0.423 165 Y N 3.494 123.839 120.300 0.075 0.000 2.313 165 Y HA 0.571 5.121 4.550 -0.001 0.000 0.332 165 Y C 0.491 176.436 175.900 0.074 0.000 1.071 165 Y CA -0.256 57.911 58.100 0.111 0.000 1.169 165 Y CB 1.122 39.676 38.460 0.157 0.000 1.192 165 Y HN 0.666 nan 8.280 nan 0.000 0.487 166 N N 1.078 119.890 118.700 0.187 0.000 2.405 166 N HA 0.337 5.077 4.740 -0.001 0.000 0.285 166 N C -1.613 173.936 175.510 0.066 0.000 1.262 166 N CA -1.164 51.948 53.050 0.103 0.000 0.773 166 N CB 1.006 39.530 38.487 0.061 0.000 1.490 166 N HN 0.467 nan 8.380 nan 0.000 0.486 167 N N 0.619 119.344 118.700 0.041 0.000 2.455 167 N HA 0.100 4.839 4.740 -0.001 0.000 0.280 167 N C -1.307 174.207 175.510 0.006 0.000 1.055 167 N CA -0.013 53.044 53.050 0.011 0.000 0.961 167 N CB 0.924 39.422 38.487 0.018 0.000 1.121 167 N HN 0.528 nan 8.380 nan 0.000 0.476 168 D N 3.882 124.275 120.400 -0.012 0.000 2.493 168 D HA 0.162 4.802 4.640 -0.001 0.000 0.235 168 D C 1.387 177.684 176.300 -0.006 0.000 1.117 168 D CA -0.362 53.634 54.000 -0.007 0.000 0.930 168 D CB 0.380 41.171 40.800 -0.015 0.000 1.010 168 D HN 0.431 nan 8.370 nan 0.000 0.514 169 L N 1.682 122.908 121.223 0.004 0.000 2.043 169 L HA -0.203 4.136 4.340 -0.001 0.000 0.212 169 L C 2.319 179.194 176.870 0.009 0.000 1.075 169 L CA 1.697 56.543 54.840 0.010 0.000 0.752 169 L CB -0.694 41.375 42.059 0.016 0.000 0.891 169 L HN 0.414 nan 8.230 nan 0.000 0.432 170 T N -2.732 111.826 114.554 0.006 0.000 3.148 170 T HA 0.338 4.687 4.350 -0.001 0.000 0.253 170 T C 0.734 175.433 174.700 -0.001 0.000 1.134 170 T CA 0.162 62.265 62.100 0.005 0.000 1.051 170 T CB -0.211 68.660 68.868 0.005 0.000 0.959 170 T HN 0.237 nan 8.240 nan 0.000 0.525 171 A N 1.273 124.088 122.820 -0.007 0.000 2.332 171 A HA 0.643 4.963 4.320 -0.001 0.000 0.258 171 A C 0.312 177.888 177.584 -0.014 0.000 1.087 171 A CA -0.613 51.414 52.037 -0.016 0.000 0.802 171 A CB 0.439 19.424 19.000 -0.026 0.000 1.042 171 A HN 0.464 nan 8.150 nan 0.000 0.489 172 S N -0.297 115.389 115.700 -0.022 0.000 2.566 172 S HA 0.590 5.060 4.470 -0.001 0.000 0.298 172 S C -0.877 173.699 174.600 -0.039 0.000 1.083 172 S CA -0.540 57.648 58.200 -0.020 0.000 0.978 172 S CB 1.488 64.682 63.200 -0.010 0.000 1.073 172 S HN 0.849 nan 8.310 nan 0.000 0.491 173 L N 2.565 123.762 121.223 -0.043 0.000 2.307 173 L HA 0.611 4.950 4.340 -0.001 0.000 0.284 173 L C -0.795 176.030 176.870 -0.075 0.000 1.023 173 L CA -0.332 54.462 54.840 -0.076 0.000 0.810 173 L CB 0.801 42.796 42.059 -0.106 0.000 1.231 173 L HN 0.681 nan 8.230 nan 0.000 0.423 174 M N 5.199 124.747 119.600 -0.088 0.000 2.233 174 M HA 0.490 4.969 4.480 -0.001 0.000 0.355 174 M C -0.982 175.355 176.300 0.062 0.000 1.191 174 M CA -0.630 54.664 55.300 -0.010 0.000 1.101 174 M CB 1.623 34.188 32.600 -0.058 0.000 1.592 174 M HN 0.371 nan 8.290 nan 0.000 0.461 175 V N 2.341 122.298 119.914 0.072 0.000 2.588 175 V HA 0.813 4.932 4.120 -0.001 0.000 0.304 175 V C -0.648 175.445 176.094 -0.002 0.000 1.042 175 V CA -0.743 61.526 62.300 -0.051 0.000 0.877 175 V CB 1.885 33.425 31.823 -0.472 0.000 0.996 175 V HN 0.946 nan 8.190 nan 0.000 0.425 176 A N 5.389 128.210 122.820 0.001 0.000 2.375 176 A HA 0.765 5.084 4.320 -0.001 0.000 0.295 176 A C -1.204 176.372 177.584 -0.013 0.000 1.066 176 A CA -0.410 51.600 52.037 -0.044 0.000 0.722 176 A CB 1.413 20.259 19.000 -0.257 0.000 1.206 176 A HN 0.769 nan 8.150 nan 0.000 0.435 177 L N 3.298 124.550 121.223 0.049 0.000 2.301 177 L HA 0.388 4.728 4.340 -0.001 0.000 0.278 177 L C -0.623 176.293 176.870 0.076 0.000 1.022 177 L CA -0.228 54.661 54.840 0.082 0.000 0.854 177 L CB 0.826 43.051 42.059 0.276 0.000 1.226 177 L HN 0.865 nan 8.230 nan 0.000 0.429 178 D N 2.388 122.817 120.400 0.050 0.000 2.541 178 D HA 0.033 4.673 4.640 -0.001 0.000 0.231 178 D C 1.089 177.407 176.300 0.031 0.000 1.163 178 D CA 0.267 54.296 54.000 0.048 0.000 1.077 178 D CB 0.750 41.618 40.800 0.115 0.000 1.110 178 D HN 0.520 nan 8.370 nan 0.000 0.499 179 S N 2.337 118.061 115.700 0.041 0.000 2.368 179 S HA -0.168 4.302 4.470 -0.001 0.000 0.225 179 S C 1.477 176.095 174.600 0.031 0.000 1.030 179 S CA 0.881 59.106 58.200 0.042 0.000 0.999 179 S CB -0.232 63.001 63.200 0.055 0.000 0.844 179 S HN 0.641 nan 8.310 nan 0.000 0.459 180 N N 1.348 120.059 118.700 0.018 0.000 2.521 180 N HA 0.067 4.807 4.740 -0.001 0.000 0.188 180 N C -0.572 174.938 175.510 -0.001 0.000 1.146 180 N CA -0.055 53.001 53.050 0.010 0.000 0.893 180 N CB -0.068 38.420 38.487 0.001 0.000 0.975 180 N HN 0.226 nan 8.380 nan 0.000 0.451 181 N N 0.213 118.912 118.700 -0.003 0.000 2.727 181 N HA -0.147 4.593 4.740 -0.001 0.000 0.251 181 N C 0.118 175.606 175.510 -0.036 0.000 1.040 181 N CA 0.579 53.626 53.050 -0.006 0.000 0.712 181 N CB -1.105 37.373 38.487 -0.015 0.000 0.912 181 N HN 0.271 nan 8.380 nan 0.000 0.545 182 T N -0.487 114.026 114.554 -0.068 0.000 2.851 182 T HA 0.054 4.403 4.350 -0.001 0.000 0.262 182 T C 1.288 175.821 174.700 -0.279 0.000 1.043 182 T CA 0.554 62.579 62.100 -0.124 0.000 1.140 182 T CB 0.154 68.954 68.868 -0.114 0.000 0.872 182 T HN 0.185 nan 8.240 nan 0.000 0.446 183 M N 1.368 120.804 119.600 -0.273 0.000 2.207 183 M HA 0.252 4.731 4.480 -0.001 0.000 0.311 183 M C -2.397 173.777 176.300 -0.209 0.000 1.127 183 M CA -2.395 52.675 55.300 -0.384 0.000 1.181 183 M CB 0.060 32.504 32.600 -0.260 0.000 1.409 183 M HN -0.145 nan 8.290 nan 0.000 0.461 184 P HA 0.085 nan 4.420 nan 0.000 0.275 184 P C -1.153 176.340 177.300 0.322 0.000 1.227 184 P CA -0.206 62.933 63.100 0.064 0.000 0.781 184 P CB 0.207 31.942 31.700 0.058 0.000 0.906 185 F N 3.551 123.592 119.950 0.152 0.000 2.472 185 F HA 0.293 4.820 4.527 -0.001 0.000 0.364 185 F C 0.368 176.308 175.800 0.233 0.000 1.090 185 F CA 0.231 58.342 58.000 0.186 0.000 1.188 185 F CB 0.140 39.236 39.000 0.160 0.000 1.105 185 F HN 0.179 nan 8.300 nan 0.000 0.536 186 T N 4.747 119.219 114.554 -0.137 0.000 3.226 186 T HA 0.417 4.766 4.350 -0.001 0.000 0.378 186 T C -2.800 171.724 174.700 -0.294 0.000 1.380 186 T CA -2.033 60.014 62.100 -0.087 0.000 1.396 186 T CB 0.485 69.506 68.868 0.255 0.000 1.044 186 T HN 0.252 nan 8.240 nan 0.000 0.586 187 P HA 0.304 nan 4.420 nan 0.000 0.265 187 P C 0.938 178.120 177.300 -0.197 0.000 1.222 187 P CA -0.220 62.635 63.100 -0.407 0.000 0.767 187 P CB 0.525 32.025 31.700 -0.333 0.000 0.801 188 A N 4.591 127.306 122.820 -0.176 0.000 2.066 188 A HA -0.039 4.280 4.320 -0.001 0.000 0.218 188 A C 2.070 179.587 177.584 -0.111 0.000 1.157 188 A CA 1.508 53.480 52.037 -0.107 0.000 0.670 188 A CB -1.043 17.899 19.000 -0.097 0.000 0.804 188 A HN 0.502 nan 8.150 nan 0.000 0.453 189 A N -0.082 122.653 122.820 -0.142 0.000 2.019 189 A HA -0.165 4.154 4.320 -0.001 0.000 0.219 189 A C 2.145 179.712 177.584 -0.030 0.000 1.164 189 A CA 1.704 53.678 52.037 -0.105 0.000 0.644 189 A CB -0.615 18.318 19.000 -0.111 0.000 0.805 189 A HN 0.704 nan 8.150 nan 0.000 0.449 190 M N -0.808 118.771 119.600 -0.034 0.000 2.267 190 M HA -0.126 4.354 4.480 -0.001 0.000 0.263 190 M C 0.724 177.023 176.300 -0.001 0.000 1.063 190 M CA 1.646 56.942 55.300 -0.007 0.000 1.090 190 M CB -0.024 32.572 32.600 -0.007 0.000 1.392 190 M HN 0.329 nan 8.290 nan 0.000 0.422 191 R N -0.306 120.190 120.500 -0.006 0.000 2.668 191 R HA 0.176 4.515 4.340 -0.001 0.000 0.435 191 R C 0.370 176.684 176.300 0.024 0.000 1.059 191 R CA 0.193 56.297 56.100 0.008 0.000 1.073 191 R CB 0.447 30.745 30.300 -0.003 0.000 1.401 191 R HN 0.380 nan 8.270 nan 0.000 0.590 192 S N 1.587 117.299 115.700 0.020 0.000 3.447 192 S HA -0.199 4.270 4.470 -0.001 0.000 0.371 192 S C 0.160 174.775 174.600 0.025 0.000 0.951 192 S CA 1.024 59.230 58.200 0.008 0.000 1.269 192 S CB -0.770 62.536 63.200 0.177 0.000 0.919 192 S HN 0.625 nan 8.310 nan 0.000 0.516 193 E N 0.697 120.867 120.200 -0.050 0.000 3.105 193 E HA 0.128 4.477 4.350 -0.001 0.000 0.198 193 E C 0.409 176.976 176.600 -0.055 0.000 0.976 193 E CA 0.017 56.424 56.400 0.012 0.000 1.219 193 E CB 0.848 30.554 29.700 0.011 0.000 1.081 193 E HN 0.702 nan 8.360 nan 0.000 0.464 194 T N -0.331 114.109 114.554 -0.190 0.000 2.814 194 T HA 0.279 4.628 4.350 -0.001 0.000 0.284 194 T C 0.404 175.046 174.700 -0.097 0.000 0.998 194 T CA -0.856 61.126 62.100 -0.197 0.000 0.935 194 T CB 1.049 69.769 68.868 -0.246 0.000 1.167 194 T HN -0.110 nan 8.240 nan 0.000 0.545 195 L N 1.251 122.382 121.223 -0.153 0.000 2.473 195 L HA 0.425 4.764 4.340 -0.001 0.000 0.268 195 L C 1.332 178.203 176.870 0.001 0.000 1.215 195 L CA 0.391 55.144 54.840 -0.145 0.000 0.823 195 L CB -0.448 41.410 42.059 -0.336 0.000 1.099 195 L HN 0.953 nan 8.230 nan 0.000 0.483 196 G N 0.902 109.674 108.800 -0.046 0.000 2.636 196 G HA2 0.189 4.148 3.960 -0.001 0.000 0.246 196 G HA3 0.189 4.148 3.960 -0.001 0.000 0.246 196 G C 0.121 175.038 174.900 0.028 0.000 1.216 196 G CA -0.374 44.651 45.100 -0.124 0.000 0.854 196 G HN 0.460 nan 8.290 nan 0.000 0.572 197 F N -0.691 119.089 119.950 -0.283 0.000 2.692 197 F HA 0.304 4.831 4.527 -0.001 0.000 0.303 197 F C -0.194 175.204 175.800 -0.670 0.000 1.114 197 F CA -1.116 56.597 58.000 -0.479 0.000 1.361 197 F CB -0.759 37.903 39.000 -0.562 0.000 1.063 197 F HN 0.160 nan 8.300 nan 0.000 0.550 198 Y N 0.207 120.434 120.300 -0.122 0.000 2.331 198 Y HA 0.387 4.936 4.550 -0.001 0.000 0.334 198 Y C -1.651 174.007 175.900 -0.403 0.000 0.960 198 Y CA -3.138 54.663 58.100 -0.498 0.000 1.130 198 Y CB 0.949 38.913 38.460 -0.826 0.000 1.164 198 Y HN -0.187 nan 8.280 nan 0.000 0.458 199 P HA -0.167 nan 4.420 nan 0.000 0.218 199 P C 0.433 177.966 177.300 0.388 0.000 1.148 199 P CA 1.612 64.887 63.100 0.292 0.000 0.822 199 P CB -0.002 32.017 31.700 0.532 0.000 0.784 200 W N -0.456 121.026 121.300 0.304 0.000 3.269 200 W HA 0.459 5.118 4.660 -0.001 0.000 0.413 200 W C -0.085 176.516 176.519 0.135 0.000 1.057 200 W CA -0.741 56.720 57.345 0.194 0.000 1.953 200 W CB -0.356 29.186 29.460 0.137 0.000 1.053 200 W HN -0.220 nan 8.180 nan 0.000 0.753 201 K N 1.938 122.319 120.400 -0.031 0.000 2.578 201 K HA 0.359 4.679 4.320 -0.001 0.000 0.250 201 K C -2.687 173.892 176.600 -0.035 0.000 0.955 201 K CA -1.848 54.413 56.287 -0.043 0.000 0.825 201 K CB 1.670 34.088 32.500 -0.135 0.000 1.151 201 K HN -0.279 nan 8.250 nan 0.000 0.432 202 P HA 0.001 nan 4.420 nan 0.000 0.269 202 P C -0.649 176.576 177.300 -0.123 0.000 1.211 202 P CA -0.168 62.858 63.100 -0.124 0.000 0.781 202 P CB 0.922 32.528 31.700 -0.156 0.000 0.877 203 T N -0.002 114.463 114.554 -0.149 0.000 2.626 203 T HA 0.817 5.166 4.350 -0.001 0.000 0.279 203 T C -1.190 173.427 174.700 -0.139 0.000 0.983 203 T CA -0.742 61.274 62.100 -0.140 0.000 1.059 203 T CB 0.487 69.273 68.868 -0.136 0.000 1.396 203 T HN 0.389 nan 8.240 nan 0.000 0.519 204 I N -0.594 119.905 120.570 -0.119 0.000 3.004 204 I HA 0.737 4.906 4.170 -0.001 0.000 0.305 204 I C -3.011 173.063 176.117 -0.071 0.000 1.312 204 I CA -2.417 58.832 61.300 -0.085 0.000 0.992 204 I CB 2.423 40.405 38.000 -0.030 0.000 1.282 204 I HN 0.429 nan 8.210 nan 0.000 0.449 205 P HA 0.363 nan 4.420 nan 0.000 0.284 205 P C -0.848 176.473 177.300 0.034 0.000 1.292 205 P CA -0.218 62.882 63.100 0.000 0.000 0.800 205 P CB 1.427 33.163 31.700 0.060 0.000 1.188 206 T N -3.745 110.848 114.554 0.065 0.000 2.855 206 T HA 0.521 4.870 4.350 -0.001 0.000 0.281 206 T C -2.785 172.012 174.700 0.162 0.000 1.007 206 T CA -2.602 59.552 62.100 0.089 0.000 1.009 206 T CB 0.655 69.569 68.868 0.077 0.000 0.983 206 T HN 0.107 nan 8.240 nan 0.000 0.455 207 P HA 0.110 nan 4.420 nan 0.000 0.267 207 P C -1.077 176.385 177.300 0.270 0.000 1.209 207 P CA -0.301 62.909 63.100 0.184 0.000 0.763 207 P CB 0.239 31.996 31.700 0.096 0.000 0.816 208 W N 6.788 128.196 121.300 0.179 0.000 2.272 208 W HA 0.323 4.982 4.660 -0.001 0.000 0.318 208 W C 0.037 176.669 176.519 0.189 0.000 1.255 208 W CA 0.045 57.520 57.345 0.217 0.000 1.200 208 W CB 0.555 30.217 29.460 0.337 0.000 1.170 208 W HN 0.323 nan 8.180 nan 0.000 0.549 209 R N 5.640 125.838 120.500 -0.503 0.000 2.707 209 R HA 0.532 4.872 4.340 -0.001 0.000 0.272 209 R C -2.068 173.852 176.300 -0.633 0.000 1.011 209 R CA -0.816 54.963 56.100 -0.534 0.000 0.893 209 R CB 1.397 31.530 30.300 -0.278 0.000 1.233 209 R HN 0.694 nan 8.270 nan 0.000 0.464 210 Y N -1.529 118.434 120.300 -0.561 0.000 2.588 210 Y HA 0.585 5.134 4.550 -0.001 0.000 0.343 210 Y C -1.289 174.550 175.900 -0.102 0.000 1.065 210 Y CA -1.707 56.169 58.100 -0.372 0.000 1.038 210 Y CB 0.776 39.047 38.460 -0.314 0.000 1.297 210 Y HN 0.431 nan 8.280 nan 0.000 0.467 211 Y N 2.213 122.680 120.300 0.280 0.000 2.597 211 Y HA 0.243 4.793 4.550 -0.001 0.000 0.336 211 Y C -0.184 175.979 175.900 0.438 0.000 1.216 211 Y CA 0.030 58.337 58.100 0.345 0.000 1.463 211 Y CB 0.230 38.905 38.460 0.359 0.000 1.303 211 Y HN 0.684 nan 8.280 nan 0.000 0.576 212 F N 2.347 122.589 119.950 0.486 0.000 2.556 212 F HA 0.365 4.891 4.527 -0.001 0.000 0.327 212 F C -0.128 175.960 175.800 0.480 0.000 1.059 212 F CA -1.056 57.164 58.000 0.366 0.000 0.953 212 F CB 1.245 40.368 39.000 0.205 0.000 1.227 212 F HN 0.321 nan 8.300 nan 0.000 0.478 213 Q N 3.077 122.930 119.800 0.089 0.000 2.340 213 Q HA 0.270 4.609 4.340 -0.001 0.000 0.249 213 Q C -1.627 174.642 176.000 0.448 0.000 0.957 213 Q CA -0.137 55.728 55.803 0.103 0.000 0.882 213 Q CB 1.412 30.063 28.738 -0.146 0.000 1.235 213 Q HN 0.721 nan 8.270 nan 0.000 0.439 214 W N 1.533 122.946 121.300 0.189 0.000 3.464 214 W HA 0.430 5.089 4.660 -0.001 0.000 0.292 214 W C -2.051 174.566 176.519 0.163 0.000 1.262 214 W CA -0.842 56.647 57.345 0.241 0.000 1.202 214 W CB 0.355 30.075 29.460 0.432 0.000 1.334 214 W HN 0.440 nan 8.180 nan 0.000 0.561 215 D N 3.079 123.590 120.400 0.186 0.000 2.198 215 D HA 0.536 5.175 4.640 -0.001 0.000 0.245 215 D C -0.495 176.047 176.300 0.404 0.000 1.079 215 D CA -0.405 53.654 54.000 0.099 0.000 0.854 215 D CB 1.086 41.877 40.800 -0.015 0.000 1.148 215 D HN 0.403 nan 8.370 nan 0.000 0.456 216 R N 1.702 122.443 120.500 0.402 0.000 2.548 216 R HA 0.465 4.805 4.340 -0.001 0.000 0.280 216 R C -1.715 174.813 176.300 0.379 0.000 1.061 216 R CA -0.503 55.917 56.100 0.534 0.000 0.915 216 R CB 1.562 32.282 30.300 0.700 0.000 1.210 216 R HN 0.456 nan 8.270 nan 0.000 0.442 217 T N 4.402 119.188 114.554 0.388 0.000 2.829 217 T HA 0.601 4.951 4.350 -0.001 0.000 0.280 217 T C -1.068 173.734 174.700 0.171 0.000 0.999 217 T CA -0.512 61.754 62.100 0.276 0.000 0.983 217 T CB 1.124 70.210 68.868 0.363 0.000 0.968 217 T HN 0.417 nan 8.240 nan 0.000 0.446 218 L N 4.438 125.735 121.223 0.123 0.000 2.596 218 L HA 0.574 4.914 4.340 -0.001 0.000 0.265 218 L C -1.494 175.404 176.870 0.046 0.000 0.962 218 L CA -0.385 54.501 54.840 0.077 0.000 0.891 218 L CB 0.950 43.056 42.059 0.079 0.000 1.248 218 L HN 0.661 nan 8.230 nan 0.000 0.410 219 I N 6.428 127.014 120.570 0.027 0.000 2.365 219 I HA 0.380 4.549 4.170 -0.001 0.000 0.291 219 I C -1.752 174.356 176.117 -0.014 0.000 1.004 219 I CA -1.729 59.577 61.300 0.010 0.000 1.311 219 I CB 1.344 39.350 38.000 0.010 0.000 1.401 219 I HN 0.511 nan 8.210 nan 0.000 0.491 220 P HA 0.103 nan 4.420 nan 0.000 0.268 220 P C -0.833 176.443 177.300 -0.041 0.000 1.208 220 P CA -0.065 63.012 63.100 -0.038 0.000 0.777 220 P CB 0.672 32.354 31.700 -0.030 0.000 0.875 221 S N 0.174 115.843 115.700 -0.052 0.000 2.611 221 S HA 0.660 5.130 4.470 -0.001 0.000 0.268 221 S C -1.292 173.278 174.600 -0.049 0.000 1.156 221 S CA -0.880 57.264 58.200 -0.094 0.000 0.817 221 S CB 1.041 64.162 63.200 -0.131 0.000 1.122 221 S HN 0.714 nan 8.310 nan 0.000 0.466 222 H N -1.836 117.214 119.070 -0.034 0.000 2.797 222 H HA 0.698 5.254 4.556 -0.001 0.000 0.362 222 H C 1.131 176.442 175.328 -0.028 0.000 1.183 222 H CA -0.294 55.733 56.048 -0.034 0.000 1.197 222 H CB 0.170 29.915 29.762 -0.029 0.000 1.835 222 H HN 0.418 nan 8.280 nan 0.000 0.567 223 T N 0.673 115.321 114.554 0.156 0.000 2.680 223 T HA -0.179 4.170 4.350 -0.001 0.000 0.268 223 T C 1.846 176.592 174.700 0.077 0.000 1.033 223 T CA 2.214 64.365 62.100 0.085 0.000 1.152 223 T CB -0.787 68.130 68.868 0.082 0.000 0.859 223 T HN 0.881 nan 8.240 nan 0.000 0.452 224 G N 1.064 110.032 108.800 0.280 0.000 3.233 224 G HA2 0.190 4.149 3.960 -0.001 0.000 0.227 224 G HA3 0.190 4.149 3.960 -0.001 0.000 0.227 224 G C 0.366 175.215 174.900 -0.085 0.000 1.175 224 G CA -0.231 44.967 45.100 0.164 0.000 0.781 224 G HN 0.385 nan 8.290 nan 0.000 0.542 225 T N 1.180 115.419 114.554 -0.525 0.000 2.926 225 T HA 0.384 4.733 4.350 -0.001 0.000 0.307 225 T C 0.750 175.334 174.700 -0.194 0.000 1.059 225 T CA 0.075 61.868 62.100 -0.512 0.000 1.122 225 T CB 1.358 69.900 68.868 -0.543 0.000 0.972 225 T HN 0.336 nan 8.240 nan 0.000 0.545 226 S N 0.996 116.622 115.700 -0.124 0.000 2.593 226 S HA 0.806 5.276 4.470 -0.001 0.000 0.297 226 S C 0.471 175.036 174.600 -0.058 0.000 1.112 226 S CA -0.115 58.045 58.200 -0.066 0.000 1.043 226 S CB 1.248 64.427 63.200 -0.035 0.000 1.054 226 S HN 1.510 nan 8.310 nan 0.000 0.516 227 G N 1.269 110.043 108.800 -0.042 0.000 2.782 227 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.228 227 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.228 227 G C -0.161 174.715 174.900 -0.040 0.000 1.372 227 G CA -0.350 44.729 45.100 -0.034 0.000 0.862 227 G HN 2.064 nan 8.290 nan 0.000 0.547 228 T N -0.173 114.362 114.554 -0.032 0.000 2.853 228 T HA 0.646 4.996 4.350 -0.001 0.000 0.317 228 T C -0.583 174.100 174.700 -0.028 0.000 1.059 228 T CA -0.310 61.771 62.100 -0.032 0.000 0.954 228 T CB 1.434 70.287 68.868 -0.025 0.000 0.994 228 T HN 0.623 nan 8.240 nan 0.000 0.479 229 P HA -0.137 nan 4.420 nan 0.000 0.236 229 P C -0.050 177.243 177.300 -0.011 0.000 0.829 229 P CA 1.046 64.129 63.100 -0.028 0.000 1.112 229 P CB 0.025 31.704 31.700 -0.035 0.000 0.704 230 T N -1.695 112.858 114.554 -0.002 0.000 4.325 230 T HA 0.157 4.506 4.350 -0.001 0.000 0.338 230 T C -1.244 173.468 174.700 0.021 0.000 0.768 230 T CA -0.578 61.529 62.100 0.012 0.000 0.932 230 T CB -0.418 68.467 68.868 0.029 0.000 1.207 230 T HN 0.192 nan 8.240 nan 0.000 0.457 231 N N 2.919 121.625 118.700 0.010 0.000 2.804 231 N HA 0.443 5.182 4.740 -0.001 0.000 0.251 231 N C -1.153 174.360 175.510 0.006 0.000 1.250 231 N CA -0.257 52.805 53.050 0.020 0.000 0.820 231 N CB 1.368 39.859 38.487 0.006 0.000 1.156 231 N HN 0.493 nan 8.380 nan 0.000 0.512 232 V N 4.281 124.193 119.914 -0.004 0.000 2.588 232 V HA 0.496 4.616 4.120 -0.001 0.000 0.304 232 V C -1.520 174.506 176.094 -0.113 0.000 1.042 232 V CA -0.821 61.404 62.300 -0.124 0.000 0.877 232 V CB 1.566 33.200 31.823 -0.316 0.000 0.996 232 V HN 0.442 nan 8.190 nan 0.000 0.425 233 Y N 5.832 126.036 120.300 -0.159 0.000 2.504 233 Y HA 0.477 5.026 4.550 -0.001 0.000 0.339 233 Y C 0.718 176.584 175.900 -0.056 0.000 0.974 233 Y CA -0.041 58.055 58.100 -0.005 0.000 1.232 233 Y CB 0.969 39.430 38.460 0.002 0.000 1.108 233 Y HN 0.909 nan 8.280 nan 0.000 0.509 234 H N 3.747 122.629 119.070 -0.312 0.000 2.502 234 H HA 0.291 4.846 4.556 -0.001 0.000 0.283 234 H C 1.352 176.369 175.328 -0.518 0.000 1.015 234 H CA 0.704 56.556 56.048 -0.325 0.000 1.298 234 H CB 0.082 29.764 29.762 -0.133 0.000 1.411 234 H HN 0.948 nan 8.280 nan 0.000 0.556 235 G N -0.642 107.689 108.800 -0.783 0.000 2.378 235 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.198 235 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.198 235 G C -0.616 174.308 174.900 0.039 0.000 1.223 235 G CA -0.420 44.404 45.100 -0.460 0.000 1.088 235 G HN 0.258 nan 8.290 nan 0.000 0.530 236 T N 0.855 115.493 114.554 0.139 0.000 2.895 236 T HA 0.559 4.909 4.350 -0.001 0.000 0.283 236 T C -0.783 173.976 174.700 0.097 0.000 1.014 236 T CA -0.081 62.144 62.100 0.207 0.000 1.037 236 T CB 1.816 70.908 68.868 0.373 0.000 1.006 236 T HN 0.706 nan 8.240 nan 0.000 0.468 237 D N 2.897 123.326 120.400 0.048 0.000 2.313 237 D HA 0.213 4.853 4.640 -0.001 0.000 0.239 237 D C -1.148 175.155 176.300 0.004 0.000 1.142 237 D CA -2.492 51.510 54.000 0.004 0.000 0.847 237 D CB 1.496 42.275 40.800 -0.035 0.000 1.082 237 D HN 0.090 nan 8.370 nan 0.000 0.480 238 P HA -0.164 nan 4.420 nan 0.000 0.217 238 P C 0.218 177.509 177.300 -0.014 0.000 1.148 238 P CA 0.982 64.091 63.100 0.015 0.000 0.834 238 P CB 0.371 32.082 31.700 0.018 0.000 0.783 239 D N -0.292 120.093 120.400 -0.025 0.000 2.338 239 D HA -0.032 4.607 4.640 -0.001 0.000 0.239 239 D C 0.535 176.799 176.300 -0.059 0.000 1.095 239 D CA 0.662 54.640 54.000 -0.036 0.000 0.888 239 D CB -0.187 40.594 40.800 -0.032 0.000 0.899 239 D HN 0.271 nan 8.370 nan 0.000 0.525 240 D N -0.411 119.940 120.400 -0.082 0.000 2.525 240 D HA 0.053 4.693 4.640 -0.001 0.000 0.231 240 D C 0.300 176.478 176.300 -0.204 0.000 1.216 240 D CA -0.086 53.840 54.000 -0.122 0.000 0.813 240 D CB 1.476 42.202 40.800 -0.124 0.000 1.108 240 D HN -0.056 nan 8.370 nan 0.000 0.524 241 V N 1.429 121.225 119.914 -0.197 0.000 2.655 241 V HA 0.119 4.238 4.120 -0.001 0.000 0.300 241 V C 0.352 176.285 176.094 -0.268 0.000 1.044 241 V CA 0.541 62.652 62.300 -0.315 0.000 1.095 241 V CB 1.086 32.860 31.823 -0.081 0.000 0.952 241 V HN 0.041 nan 8.190 nan 0.000 0.485 242 Q N 3.771 123.349 119.800 -0.371 0.000 3.550 242 Q HA 0.258 4.598 4.340 -0.001 0.000 0.206 242 Q C -1.325 174.487 176.000 -0.312 0.000 0.891 242 Q CA -0.417 55.162 55.803 -0.374 0.000 0.737 242 Q CB 1.459 29.924 28.738 -0.455 0.000 1.417 242 Q HN 0.706 nan 8.270 nan 0.000 0.460 243 F N 2.624 122.449 119.950 -0.208 0.000 2.444 243 F HA 0.346 4.872 4.527 -0.001 0.000 0.360 243 F C -1.260 174.459 175.800 -0.135 0.000 1.106 243 F CA -0.527 57.478 58.000 0.008 0.000 1.170 243 F CB 0.179 39.243 39.000 0.107 0.000 1.113 243 F HN 0.257 nan 8.300 nan 0.000 0.521 244 Y N 3.430 123.712 120.300 -0.031 0.000 2.361 244 Y HA 0.518 5.067 4.550 -0.001 0.000 0.332 244 Y C 0.541 176.068 175.900 -0.621 0.000 1.101 244 Y CA -0.761 57.146 58.100 -0.322 0.000 1.137 244 Y CB 1.764 40.064 38.460 -0.267 0.000 1.207 244 Y HN 0.464 nan 8.280 nan 0.000 0.463 245 T N 3.618 117.935 114.554 -0.395 0.000 2.876 245 T HA 0.401 4.750 4.350 -0.001 0.000 0.289 245 T C 1.078 175.664 174.700 -0.190 0.000 1.014 245 T CA -0.493 61.332 62.100 -0.458 0.000 0.986 245 T CB 0.988 69.544 68.868 -0.520 0.000 1.021 245 T HN 0.625 nan 8.240 nan 0.000 0.458 246 I N 1.628 122.121 120.570 -0.129 0.000 2.233 246 I HA -0.078 4.092 4.170 -0.001 0.000 0.243 246 I C 2.161 178.159 176.117 -0.198 0.000 1.093 246 I CA 1.082 62.155 61.300 -0.377 0.000 1.380 246 I CB 0.014 37.419 38.000 -0.991 0.000 1.067 246 I HN 0.658 nan 8.210 nan 0.000 0.413 247 E N 0.999 121.203 120.200 0.008 0.000 2.171 247 E HA -0.246 4.104 4.350 -0.001 0.000 0.197 247 E C 1.595 178.198 176.600 0.006 0.000 0.997 247 E CA 1.481 57.928 56.400 0.078 0.000 0.810 247 E CB -0.325 29.494 29.700 0.197 0.000 0.738 247 E HN 0.496 nan 8.360 nan 0.000 0.467 248 N N -1.342 117.334 118.700 -0.039 0.000 2.392 248 N HA -0.002 4.737 4.740 -0.001 0.000 0.177 248 N C 0.658 176.134 175.510 -0.057 0.000 1.066 248 N CA 0.859 53.882 53.050 -0.046 0.000 0.895 248 N CB 0.546 38.992 38.487 -0.068 0.000 0.988 248 N HN 0.107 nan 8.380 nan 0.000 0.457 249 S N -1.409 114.239 115.700 -0.086 0.000 2.780 249 S HA 0.328 4.797 4.470 -0.001 0.000 0.248 249 S C -0.229 174.315 174.600 -0.093 0.000 1.036 249 S CA -0.489 57.663 58.200 -0.080 0.000 1.061 249 S CB 0.369 63.523 63.200 -0.076 0.000 1.037 249 S HN -0.137 nan 8.310 nan 0.000 0.584 250 V N 3.346 123.192 119.914 -0.112 0.000 2.655 250 V HA 0.491 4.610 4.120 -0.001 0.000 0.301 250 V C -2.699 173.337 176.094 -0.096 0.000 1.082 250 V CA -1.875 60.362 62.300 -0.106 0.000 0.899 250 V CB 1.998 33.727 31.823 -0.158 0.000 1.014 250 V HN 0.184 nan 8.190 nan 0.000 0.429 251 P HA 0.167 nan 4.420 nan 0.000 0.265 251 P C -0.621 176.585 177.300 -0.158 0.000 1.193 251 P CA 0.217 63.250 63.100 -0.110 0.000 0.765 251 P CB 1.230 32.861 31.700 -0.115 0.000 0.823 252 V N 4.522 124.355 119.914 -0.136 0.000 2.532 252 V HA 0.252 4.372 4.120 -0.001 0.000 0.295 252 V C 0.208 176.205 176.094 -0.163 0.000 1.041 252 V CA -0.508 61.752 62.300 -0.067 0.000 0.926 252 V CB 0.849 32.747 31.823 0.125 0.000 0.992 252 V HN 0.578 nan 8.190 nan 0.000 0.457 253 H N 3.654 122.747 119.070 0.039 0.000 2.457 253 H HA 0.631 5.187 4.556 -0.001 0.000 0.335 253 H C -0.625 174.712 175.328 0.015 0.000 1.115 253 H CA -0.530 55.539 56.048 0.034 0.000 1.219 253 H CB 1.416 31.193 29.762 0.026 0.000 1.471 253 H HN 0.457 nan 8.280 nan 0.000 0.491 254 L N 4.698 126.012 121.223 0.152 0.000 2.287 254 L HA 0.389 4.728 4.340 -0.001 0.000 0.287 254 L C -0.801 176.114 176.870 0.075 0.000 1.022 254 L CA -0.447 54.440 54.840 0.078 0.000 0.814 254 L CB 0.868 42.959 42.059 0.053 0.000 1.217 254 L HN 0.369 nan 8.230 nan 0.000 0.420 255 L N 3.938 125.182 121.223 0.036 0.000 2.346 255 L HA 0.623 4.962 4.340 -0.001 0.000 0.276 255 L C -0.110 176.775 176.870 0.024 0.000 1.006 255 L CA -0.686 54.176 54.840 0.037 0.000 0.817 255 L CB 2.104 44.173 42.059 0.018 0.000 1.272 255 L HN 0.642 nan 8.230 nan 0.000 0.421 256 R N 0.094 120.616 120.500 0.038 0.000 2.875 256 R HA 0.427 4.767 4.340 -0.001 0.000 0.251 256 R C 0.997 177.326 176.300 0.049 0.000 1.123 256 R CA -0.598 55.521 56.100 0.032 0.000 1.064 256 R CB 1.440 31.758 30.300 0.030 0.000 1.205 256 R HN 0.666 nan 8.270 nan 0.000 0.503 257 T N -0.371 114.213 114.554 0.049 0.000 2.680 257 T HA -0.231 4.118 4.350 -0.001 0.000 0.268 257 T C 1.889 176.637 174.700 0.081 0.000 1.033 257 T CA 1.749 63.891 62.100 0.070 0.000 1.152 257 T CB -0.580 68.325 68.868 0.062 0.000 0.859 257 T HN 0.869 nan 8.240 nan 0.000 0.452 258 G N 2.042 110.881 108.800 0.064 0.000 2.471 258 G HA2 -0.064 3.896 3.960 -0.001 0.000 0.219 258 G HA3 -0.064 3.896 3.960 -0.001 0.000 0.219 258 G C 0.442 175.384 174.900 0.069 0.000 1.125 258 G CA 0.297 45.435 45.100 0.062 0.000 0.775 258 G HN 0.440 nan 8.290 nan 0.000 0.548 259 D N -0.232 120.212 120.400 0.073 0.000 2.383 259 D HA 0.435 5.074 4.640 -0.001 0.000 0.248 259 D C 0.042 176.407 176.300 0.108 0.000 1.170 259 D CA 0.047 54.095 54.000 0.080 0.000 0.977 259 D CB 1.443 42.288 40.800 0.075 0.000 1.120 259 D HN 0.199 nan 8.370 nan 0.000 0.481 260 E N -0.055 120.212 120.200 0.112 0.000 2.430 260 E HA 0.431 4.781 4.350 -0.001 0.000 0.279 260 E C -2.005 174.694 176.600 0.164 0.000 1.003 260 E CA -0.677 55.814 56.400 0.152 0.000 0.801 260 E CB 2.240 32.019 29.700 0.132 0.000 1.313 260 E HN 0.307 nan 8.360 nan 0.000 0.459 261 F N 1.098 121.043 119.950 -0.008 0.000 2.581 261 F HA 0.736 5.263 4.527 -0.001 0.000 0.311 261 F C -1.780 173.987 175.800 -0.055 0.000 1.113 261 F CA -0.166 57.784 58.000 -0.084 0.000 0.935 261 F CB 1.887 40.817 39.000 -0.117 0.000 1.232 261 F HN 0.542 nan 8.300 nan 0.000 0.445 262 A N 3.706 126.057 122.820 -0.783 0.000 2.422 262 A HA 0.678 4.997 4.320 -0.001 0.000 0.302 262 A C -0.757 176.339 177.584 -0.814 0.000 1.041 262 A CA -0.613 51.087 52.037 -0.561 0.000 0.708 262 A CB 1.448 20.253 19.000 -0.324 0.000 1.257 262 A HN 0.713 nan 8.150 nan 0.000 0.414 263 T N 1.024 115.288 114.554 -0.484 0.000 2.788 263 T HA 0.522 4.871 4.350 -0.001 0.000 0.287 263 T C 1.187 175.710 174.700 -0.295 0.000 1.007 263 T CA 0.670 62.567 62.100 -0.338 0.000 1.005 263 T CB 1.054 69.813 68.868 -0.182 0.000 1.012 263 T HN 1.041 nan 8.240 nan 0.000 0.530 264 G N 0.241 108.910 108.800 -0.219 0.000 2.494 264 G HA2 0.417 4.377 3.960 -0.001 0.000 0.270 264 G HA3 0.417 4.377 3.960 -0.001 0.000 0.270 264 G C -0.542 174.214 174.900 -0.240 0.000 1.423 264 G CA -0.407 44.574 45.100 -0.199 0.000 1.055 264 G HN 0.614 nan 8.290 nan 0.000 0.536 265 T N 0.656 115.054 114.554 -0.261 0.000 2.743 265 T HA 0.370 4.720 4.350 -0.001 0.000 0.292 265 T C -1.000 173.396 174.700 -0.507 0.000 0.972 265 T CA -0.088 61.762 62.100 -0.416 0.000 0.967 265 T CB 0.524 69.100 68.868 -0.485 0.000 0.926 265 T HN 0.300 nan 8.240 nan 0.000 0.459 266 F N 4.246 123.829 119.950 -0.611 0.000 2.394 266 F HA 0.639 5.165 4.527 -0.001 0.000 0.340 266 F C -1.190 174.130 175.800 -0.800 0.000 1.105 266 F CA -1.474 56.178 58.000 -0.580 0.000 1.124 266 F CB 0.455 39.152 39.000 -0.504 0.000 1.145 266 F HN 0.406 nan 8.300 nan 0.000 0.505 267 F N 6.445 125.742 119.950 -1.089 0.000 2.426 267 F HA 0.415 4.941 4.527 -0.001 0.000 0.348 267 F C -0.534 174.812 175.800 -0.757 0.000 1.124 267 F CA -0.691 56.909 58.000 -0.667 0.000 1.008 267 F CB 0.700 39.424 39.000 -0.460 0.000 1.139 267 F HN 0.257 nan 8.300 nan 0.000 0.452 268 F N 2.033 121.973 119.950 -0.017 0.000 2.403 268 F HA 0.226 4.753 4.527 -0.001 0.000 0.320 268 F C 0.641 176.433 175.800 -0.013 0.000 1.176 268 F CA -0.341 57.699 58.000 0.067 0.000 1.206 268 F CB 0.610 39.562 39.000 -0.080 0.000 1.235 268 F HN 0.408 nan 8.300 nan 0.000 0.565 269 D N 0.384 120.926 120.400 0.237 0.000 2.443 269 D HA 0.338 4.977 4.640 -0.001 0.000 0.281 269 D C -1.273 175.111 176.300 0.140 0.000 1.210 269 D CA -0.190 53.884 54.000 0.123 0.000 0.875 269 D CB 0.065 40.907 40.800 0.071 0.000 1.125 269 D HN 0.285 nan 8.370 nan 0.000 0.503 270 C N 0.757 120.137 119.300 0.133 0.000 2.889 270 C HA 0.545 5.004 4.460 -0.001 0.000 0.307 270 C C 0.273 175.361 174.990 0.163 0.000 1.251 270 C CA -1.028 58.079 59.018 0.148 0.000 1.593 270 C CB 1.990 29.823 27.740 0.155 0.000 2.104 270 C HN 0.315 nan 8.230 nan 0.000 0.476 271 K N 1.973 122.483 120.400 0.183 0.000 2.202 271 K HA 0.341 4.660 4.320 -0.001 0.000 0.264 271 K C -2.307 174.418 176.600 0.207 0.000 1.010 271 K CA -0.613 55.775 56.287 0.169 0.000 0.940 271 K CB 0.166 32.744 32.500 0.130 0.000 0.983 271 K HN 0.509 nan 8.250 nan 0.000 0.475 272 P HA -0.015 nan 4.420 nan 0.000 0.271 272 P C -0.565 176.788 177.300 0.088 0.000 1.218 272 P CA -0.433 62.635 63.100 -0.053 0.000 0.780 272 P CB 0.724 32.234 31.700 -0.317 0.000 0.901 273 C N 4.529 123.925 119.300 0.160 0.000 2.319 273 C HA 0.435 4.894 4.460 -0.001 0.000 0.335 273 C C 0.570 175.576 174.990 0.027 0.000 1.274 273 C CA -0.623 58.425 59.018 0.050 0.000 1.806 273 C CB -0.262 27.421 27.740 -0.094 0.000 2.329 273 C HN 0.549 nan 8.230 nan 0.000 0.524 274 R N 4.475 124.982 120.500 0.011 0.000 2.457 274 R HA 0.444 4.784 4.340 -0.001 0.000 0.284 274 R C -0.084 176.216 176.300 0.000 0.000 1.024 274 R CA -0.481 55.625 56.100 0.009 0.000 1.025 274 R CB 0.817 31.129 30.300 0.020 0.000 1.063 274 R HN 0.745 nan 8.270 nan 0.000 0.493 275 L N 1.707 122.917 121.223 -0.021 0.000 3.017 275 L HA 0.180 4.519 4.340 -0.001 0.000 0.255 275 L C -0.044 176.820 176.870 -0.010 0.000 1.247 275 L CA -0.152 54.664 54.840 -0.040 0.000 1.038 275 L CB 0.182 42.171 42.059 -0.116 0.000 1.380 275 L HN 0.787 nan 8.230 nan 0.000 0.548 276 T N -3.859 110.705 114.554 0.016 0.000 2.906 276 T HA 0.483 4.832 4.350 -0.001 0.000 0.295 276 T C -0.612 174.130 174.700 0.071 0.000 1.075 276 T CA -0.714 61.389 62.100 0.006 0.000 1.005 276 T CB 2.292 71.131 68.868 -0.049 0.000 1.136 276 T HN 0.204 nan 8.240 nan 0.000 0.498 277 H N -0.412 118.704 119.070 0.077 0.000 2.679 277 H HA 0.685 5.240 4.556 -0.001 0.000 0.367 277 H C -0.637 174.761 175.328 0.117 0.000 1.162 277 H CA -0.825 55.291 56.048 0.113 0.000 1.181 277 H CB 1.567 31.431 29.762 0.169 0.000 1.693 277 H HN 0.881 nan 8.280 nan 0.000 0.538 278 T N -0.351 114.311 114.554 0.182 0.000 2.928 278 T HA 0.209 4.558 4.350 -0.001 0.000 0.284 278 T C 0.823 175.683 174.700 0.266 0.000 1.008 278 T CA -0.842 61.290 62.100 0.053 0.000 1.057 278 T CB 1.212 70.064 68.868 -0.027 0.000 1.018 278 T HN 0.939 nan 8.240 nan 0.000 0.493 279 W N 0.184 121.581 121.300 0.161 0.000 2.835 279 W HA 0.280 4.940 4.660 -0.001 0.000 0.278 279 W C -0.045 176.536 176.519 0.102 0.000 1.075 279 W CA -0.649 56.798 57.345 0.171 0.000 1.439 279 W CB -0.197 29.369 29.460 0.177 0.000 0.927 279 W HN 0.531 nan 8.180 nan 0.000 0.604 280 Q N 2.499 121.838 119.800 -0.768 0.000 2.361 280 Q HA 0.230 4.569 4.340 -0.001 0.000 0.276 280 Q C -0.139 175.755 176.000 -0.176 0.000 1.022 280 Q CA 1.075 56.475 55.803 -0.672 0.000 0.898 280 Q CB 1.278 29.507 28.738 -0.848 0.000 1.246 280 Q HN -0.162 nan 8.270 nan 0.000 0.410 281 T N 0.640 115.161 114.554 -0.055 0.000 2.910 281 T HA 0.196 4.545 4.350 -0.001 0.000 0.287 281 T C 0.916 175.602 174.700 -0.024 0.000 1.050 281 T CA -0.827 61.275 62.100 0.003 0.000 1.011 281 T CB 0.928 69.840 68.868 0.073 0.000 1.195 281 T HN 0.574 nan 8.240 nan 0.000 0.540 282 N N 0.357 119.048 118.700 -0.015 0.000 2.205 282 N HA -0.115 4.624 4.740 -0.001 0.000 0.186 282 N C 1.637 177.141 175.510 -0.010 0.000 1.015 282 N CA 0.733 53.763 53.050 -0.034 0.000 0.862 282 N CB 0.071 38.543 38.487 -0.024 0.000 0.986 282 N HN 0.206 nan 8.380 nan 0.000 0.429 283 R N 0.741 121.257 120.500 0.027 0.000 2.293 283 R HA 0.016 4.356 4.340 -0.001 0.000 0.219 283 R C 0.471 176.811 176.300 0.067 0.000 1.091 283 R CA 0.186 56.316 56.100 0.050 0.000 1.004 283 R CB -0.151 30.191 30.300 0.069 0.000 0.865 283 R HN 0.127 nan 8.270 nan 0.000 0.469 284 A N 0.685 123.542 122.820 0.061 0.000 3.105 284 A HA 0.395 4.714 4.320 -0.001 0.000 0.297 284 A C -0.362 177.238 177.584 0.027 0.000 0.977 284 A CA -0.440 51.653 52.037 0.094 0.000 1.020 284 A CB 0.285 19.418 19.000 0.220 0.000 1.098 284 A HN 0.046 nan 8.150 nan 0.000 0.497 285 L N 0.704 121.932 121.223 0.008 0.000 2.343 285 L HA 0.691 5.031 4.340 -0.001 0.000 0.278 285 L C 0.762 177.675 176.870 0.072 0.000 0.996 285 L CA 0.015 54.846 54.840 -0.015 0.000 0.831 285 L CB 1.436 43.372 42.059 -0.205 0.000 1.232 285 L HN 0.746 nan 8.230 nan 0.000 0.413 286 G N 2.536 111.478 108.800 0.238 0.000 2.451 286 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.208 286 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.208 286 G C -1.359 173.631 174.900 0.151 0.000 1.248 286 G CA -0.841 44.407 45.100 0.248 0.000 0.989 286 G HN 0.425 nan 8.290 nan 0.000 0.559 287 L N 2.681 123.977 121.223 0.123 0.000 2.315 287 L HA 0.642 4.982 4.340 -0.001 0.000 0.283 287 L C -1.408 175.520 176.870 0.097 0.000 1.089 287 L CA -1.333 53.567 54.840 0.101 0.000 0.833 287 L CB 0.218 42.331 42.059 0.090 0.000 1.170 287 L HN 0.515 nan 8.230 nan 0.000 0.442 288 P HA 0.281 nan 4.420 nan 0.000 0.272 288 P C -2.582 174.776 177.300 0.096 0.000 1.230 288 P CA -0.893 62.258 63.100 0.086 0.000 0.788 288 P CB -0.256 31.489 31.700 0.075 0.000 0.949 289 P HA 0.064 nan 4.420 nan 0.000 0.271 289 P C -0.786 176.592 177.300 0.131 0.000 1.218 289 P CA -0.165 63.000 63.100 0.110 0.000 0.780 289 P CB 0.394 32.144 31.700 0.083 0.000 0.901 290 F N 3.467 123.437 119.950 0.034 0.000 2.506 290 F HA 0.183 4.709 4.527 -0.001 0.000 0.371 290 F C 0.123 175.941 175.800 0.030 0.000 1.078 290 F CA -0.375 57.643 58.000 0.030 0.000 1.195 290 F CB 0.084 39.100 39.000 0.027 0.000 1.099 290 F HN 0.104 nan 8.300 nan 0.000 0.548 291 L N 7.470 128.310 121.223 -0.638 0.000 2.325 291 L HA 0.165 4.505 4.340 -0.001 0.000 0.284 291 L C 0.753 177.256 176.870 -0.611 0.000 1.089 291 L CA -0.052 54.517 54.840 -0.453 0.000 0.836 291 L CB 0.376 42.252 42.059 -0.305 0.000 1.184 291 L HN 0.705 nan 8.230 nan 0.000 0.444 292 N N 0.461 119.043 118.700 -0.196 0.000 2.409 292 N HA -0.078 4.661 4.740 -0.001 0.000 0.179 292 N C 0.325 175.815 175.510 -0.034 0.000 1.032 292 N CA 0.345 53.387 53.050 -0.013 0.000 0.898 292 N CB 0.335 38.897 38.487 0.126 0.000 0.971 292 N HN 0.456 nan 8.380 nan 0.000 0.441 293 S N 0.434 116.098 115.700 -0.060 0.000 2.707 293 S HA 0.457 4.927 4.470 -0.001 0.000 0.312 293 S C -1.009 173.563 174.600 -0.047 0.000 1.116 293 S CA -0.750 57.431 58.200 -0.031 0.000 1.078 293 S CB 0.161 63.361 63.200 -0.000 0.000 0.997 293 S HN 0.042 nan 8.310 nan 0.000 0.477 294 L N 4.956 126.150 121.223 -0.048 0.000 2.334 294 L HA 0.560 4.900 4.340 -0.001 0.000 0.275 294 L C -2.042 174.818 176.870 -0.017 0.000 1.036 294 L CA -2.446 52.369 54.840 -0.043 0.000 0.807 294 L CB 1.309 43.333 42.059 -0.059 0.000 1.231 294 L HN 0.450 nan 8.230 nan 0.000 0.438 295 P HA 0.046 nan 4.420 nan 0.000 0.267 295 P C -0.449 176.844 177.300 -0.012 0.000 1.200 295 P CA 0.007 63.105 63.100 -0.002 0.000 0.772 295 P CB 0.484 32.192 31.700 0.014 0.000 0.855 296 Q N -0.006 119.784 119.800 -0.016 0.000 2.217 296 Q HA 0.169 4.508 4.340 -0.001 0.000 0.217 296 Q C -0.140 175.849 176.000 -0.018 0.000 0.844 296 Q CA 0.087 55.881 55.803 -0.016 0.000 0.957 296 Q CB 0.496 29.226 28.738 -0.014 0.000 1.127 296 Q HN 0.583 nan 8.270 nan 0.000 0.503 297 S N -0.790 114.897 115.700 -0.022 0.000 2.537 297 S HA 0.360 4.829 4.470 -0.001 0.000 0.270 297 S C -0.635 173.951 174.600 -0.024 0.000 1.142 297 S CA -1.017 57.169 58.200 -0.023 0.000 0.870 297 S CB 2.077 65.260 63.200 -0.028 0.000 1.112 297 S HN 0.084 nan 8.310 nan 0.000 0.466 298 E N 0.488 120.675 120.200 -0.021 0.000 2.447 298 E HA 0.443 4.792 4.350 -0.001 0.000 0.259 298 E C 0.405 176.991 176.600 -0.023 0.000 1.196 298 E CA 0.610 57.000 56.400 -0.017 0.000 0.995 298 E CB 0.101 29.791 29.700 -0.016 0.000 0.974 298 E HN 1.327 nan 8.360 nan 0.000 0.465 299 G N -0.542 108.248 108.800 -0.016 0.000 3.239 299 G HA2 0.129 4.088 3.960 -0.001 0.000 0.666 299 G HA3 0.129 4.088 3.960 -0.001 0.000 0.666 299 G C -0.256 174.637 174.900 -0.012 0.000 1.313 299 G CA -0.443 44.642 45.100 -0.025 0.000 1.001 299 G HN 0.569 nan 8.290 nan 0.000 0.573 300 A N 1.916 124.744 122.820 0.013 0.000 2.478 300 A HA 0.537 4.857 4.320 -0.001 0.000 0.239 300 A C 1.557 179.175 177.584 0.056 0.000 1.480 300 A CA 1.601 53.685 52.037 0.078 0.000 1.308 300 A CB -0.541 18.504 19.000 0.075 0.000 0.899 300 A HN 1.456 nan 8.150 nan 0.000 0.600 301 T N -1.777 112.692 114.554 -0.141 0.000 3.100 301 T HA 0.052 4.401 4.350 -0.001 0.000 0.255 301 T C 0.194 174.370 174.700 -0.873 0.000 0.893 301 T CA -0.269 61.523 62.100 -0.514 0.000 0.882 301 T CB -0.148 68.540 68.868 -0.299 0.000 1.266 301 T HN 0.522 nan 8.240 nan 0.000 0.528 302 N N 2.655 121.136 118.700 -0.365 0.000 2.466 302 N HA 0.391 5.130 4.740 -0.001 0.000 0.263 302 N C -1.067 174.439 175.510 -0.007 0.000 1.178 302 N CA -0.045 52.874 53.050 -0.219 0.000 0.983 302 N CB -0.194 38.240 38.487 -0.089 0.000 1.331 302 N HN 0.148 nan 8.380 nan 0.000 0.500 303 F N 0.126 120.063 119.950 -0.021 0.000 2.380 303 F HA 0.615 5.141 4.527 -0.001 0.000 0.321 303 F C 1.523 177.306 175.800 -0.029 0.000 1.103 303 F CA -1.601 56.386 58.000 -0.023 0.000 1.067 303 F CB 0.255 39.244 39.000 -0.018 0.000 1.265 303 F HN 0.249 nan 8.300 nan 0.000 0.517 304 G N -0.378 108.527 108.800 0.177 0.000 2.437 304 G HA2 0.441 4.400 3.960 -0.001 0.000 0.319 304 G HA3 0.441 4.400 3.960 -0.001 0.000 0.319 304 G C -1.773 173.158 174.900 0.052 0.000 1.158 304 G CA -0.288 44.847 45.100 0.058 0.000 0.899 304 G HN 0.502 nan 8.290 nan 0.000 0.502 305 D N 0.288 120.696 120.400 0.013 0.000 2.629 305 D HA 0.292 4.931 4.640 -0.001 0.000 0.250 305 D C 1.542 177.838 176.300 -0.007 0.000 1.126 305 D CA -0.706 53.306 54.000 0.019 0.000 0.852 305 D CB 1.740 42.561 40.800 0.035 0.000 1.335 305 D HN 0.142 nan 8.370 nan 0.000 0.518 306 I N 2.525 123.099 120.570 0.006 0.000 2.151 306 I HA -0.181 3.989 4.170 -0.001 0.000 0.243 306 I C 1.699 177.842 176.117 0.044 0.000 1.080 306 I CA 1.548 62.859 61.300 0.018 0.000 1.339 306 I CB -0.312 37.715 38.000 0.045 0.000 1.039 306 I HN 0.781 nan 8.210 nan 0.000 0.409 307 G N 0.637 109.467 108.800 0.049 0.000 2.137 307 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.237 307 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.237 307 G C -0.112 174.833 174.900 0.074 0.000 1.002 307 G CA 0.087 45.223 45.100 0.060 0.000 0.702 307 G HN 0.246 nan 8.290 nan 0.000 0.515 308 V N -0.116 119.844 119.914 0.077 0.000 2.733 308 V HA 0.411 4.530 4.120 -0.001 0.000 0.306 308 V C 0.461 176.604 176.094 0.083 0.000 1.084 308 V CA -0.898 61.450 62.300 0.080 0.000 0.905 308 V CB 1.953 33.830 31.823 0.090 0.000 1.010 308 V HN 0.443 nan 8.190 nan 0.000 0.424 309 Q N 2.398 122.247 119.800 0.082 0.000 2.262 309 Q HA -0.004 4.335 4.340 -0.001 0.000 0.298 309 Q C 1.082 177.159 176.000 0.129 0.000 1.083 309 Q CA 0.437 56.298 55.803 0.098 0.000 0.962 309 Q CB 0.544 29.334 28.738 0.087 0.000 1.104 309 Q HN 0.706 nan 8.270 nan 0.000 0.376 310 Q N 1.787 121.685 119.800 0.163 0.000 2.458 310 Q HA -0.209 4.131 4.340 -0.001 0.000 0.215 310 Q C 0.194 176.389 176.000 0.326 0.000 0.989 310 Q CA 1.418 57.358 55.803 0.229 0.000 0.895 310 Q CB 0.180 29.043 28.738 0.207 0.000 0.934 310 Q HN 0.659 nan 8.270 nan 0.000 0.475 311 D N -1.848 118.693 120.400 0.236 0.000 2.479 311 D HA 0.021 4.660 4.640 -0.001 0.000 0.218 311 D C 0.566 176.893 176.300 0.044 0.000 1.177 311 D CA -0.045 54.007 54.000 0.087 0.000 0.830 311 D CB 0.391 41.154 40.800 -0.063 0.000 1.014 311 D HN -0.085 nan 8.370 nan 0.000 0.503 312 K N 0.426 120.869 120.400 0.073 0.000 2.501 312 K HA 0.269 4.589 4.320 -0.001 0.000 0.204 312 K C 0.256 176.890 176.600 0.056 0.000 1.067 312 K CA -0.295 56.022 56.287 0.051 0.000 1.060 312 K CB 1.654 34.185 32.500 0.052 0.000 0.873 312 K HN 0.088 nan 8.250 nan 0.000 0.540 313 R N 0.789 121.330 120.500 0.070 0.000 2.532 313 R HA 0.384 4.724 4.340 -0.001 0.000 0.272 313 R C 0.223 176.556 176.300 0.054 0.000 1.032 313 R CA -0.525 55.616 56.100 0.069 0.000 1.089 313 R CB 1.214 31.567 30.300 0.088 0.000 1.098 313 R HN -0.086 nan 8.270 nan 0.000 0.526 314 R N 0.012 120.541 120.500 0.049 0.000 2.643 314 R HA 0.681 5.020 4.340 -0.001 0.000 0.272 314 R C -0.104 176.221 176.300 0.041 0.000 0.995 314 R CA -0.522 55.600 56.100 0.036 0.000 1.032 314 R CB 1.861 32.176 30.300 0.027 0.000 1.126 314 R HN 0.857 nan 8.270 nan 0.000 0.505 315 G N -0.102 108.717 108.800 0.032 0.000 2.369 315 G HA2 0.130 4.089 3.960 -0.001 0.000 0.293 315 G HA3 0.130 4.089 3.960 -0.001 0.000 0.293 315 G C -1.699 173.216 174.900 0.025 0.000 1.301 315 G CA -0.951 44.169 45.100 0.034 0.000 0.913 315 G HN 0.381 nan 8.290 nan 0.000 0.540 316 V N -0.512 119.416 119.914 0.023 0.000 2.769 316 V HA 0.941 5.061 4.120 -0.001 0.000 0.312 316 V C 0.426 176.526 176.094 0.009 0.000 1.058 316 V CA -0.256 62.051 62.300 0.012 0.000 0.952 316 V CB 1.857 33.685 31.823 0.009 0.000 1.019 316 V HN 1.139 nan 8.190 nan 0.000 0.445 317 T N 1.132 115.684 114.554 -0.002 0.000 2.821 317 T HA 0.315 4.664 4.350 -0.001 0.000 0.306 317 T C -0.318 174.366 174.700 -0.027 0.000 1.313 317 T CA -0.321 61.772 62.100 -0.012 0.000 1.012 317 T CB 2.083 70.944 68.868 -0.012 0.000 1.298 317 T HN 0.757 nan 8.240 nan 0.000 0.502 318 Q N 1.309 121.085 119.800 -0.040 0.000 2.188 318 Q HA 0.388 4.727 4.340 -0.001 0.000 0.212 318 Q C -0.403 175.558 176.000 -0.065 0.000 0.846 318 Q CA 0.005 55.781 55.803 -0.045 0.000 0.989 318 Q CB 0.208 28.921 28.738 -0.041 0.000 1.114 318 Q HN 0.535 nan 8.270 nan 0.000 0.488 319 M N 0.124 119.672 119.600 -0.087 0.000 2.385 319 M HA 0.298 4.777 4.480 -0.001 0.000 0.346 319 M C 0.954 177.193 176.300 -0.102 0.000 1.180 319 M CA -0.359 54.861 55.300 -0.134 0.000 1.154 319 M CB 1.130 33.584 32.600 -0.243 0.000 1.251 319 M HN 0.189 nan 8.290 nan 0.000 0.430 320 G N 1.944 110.701 108.800 -0.070 0.000 2.527 320 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.219 320 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.219 320 G C 1.045 175.919 174.900 -0.044 0.000 1.117 320 G CA 0.716 45.787 45.100 -0.048 0.000 0.759 320 G HN 0.562 nan 8.290 nan 0.000 0.556 321 N N 0.699 119.363 118.700 -0.059 0.000 2.255 321 N HA -0.024 4.716 4.740 -0.001 0.000 0.192 321 N C 1.582 177.071 175.510 -0.035 0.000 1.049 321 N CA 1.225 54.256 53.050 -0.032 0.000 0.886 321 N CB -1.226 37.258 38.487 -0.005 0.000 1.064 321 N HN 0.340 nan 8.380 nan 0.000 0.457 322 T N 0.144 114.669 114.554 -0.049 0.000 2.701 322 T HA 0.134 4.483 4.350 -0.001 0.000 0.303 322 T C 0.103 174.757 174.700 -0.078 0.000 1.030 322 T CA -0.062 62.015 62.100 -0.038 0.000 1.010 322 T CB 0.689 69.615 68.868 0.098 0.000 1.007 322 T HN 0.063 nan 8.240 nan 0.000 0.532 323 D N -0.660 119.647 120.400 -0.156 0.000 2.538 323 D HA 0.145 4.784 4.640 -0.001 0.000 0.231 323 D C -0.851 175.415 176.300 -0.056 0.000 1.229 323 D CA -0.146 53.788 54.000 -0.109 0.000 0.828 323 D CB -0.044 40.680 40.800 -0.127 0.000 1.035 323 D HN 0.475 nan 8.370 nan 0.000 0.495 324 Y N 1.143 121.490 120.300 0.078 0.000 2.504 324 Y HA 0.296 4.845 4.550 -0.001 0.000 0.351 324 Y C 0.840 176.786 175.900 0.076 0.000 0.988 324 Y CA -0.509 57.656 58.100 0.107 0.000 1.239 324 Y CB 0.280 38.866 38.460 0.209 0.000 1.128 324 Y HN -0.135 nan 8.280 nan 0.000 0.525 325 I N 4.228 124.941 120.570 0.237 0.000 2.297 325 I HA 0.261 4.431 4.170 -0.001 0.000 0.291 325 I C 0.067 176.274 176.117 0.149 0.000 1.033 325 I CA -0.018 61.371 61.300 0.148 0.000 1.253 325 I CB 0.760 38.822 38.000 0.104 0.000 1.396 325 I HN 0.476 nan 8.210 nan 0.000 0.476 326 T N 4.493 119.125 114.554 0.131 0.000 2.893 326 T HA 0.180 4.529 4.350 -0.001 0.000 0.291 326 T C 0.943 175.697 174.700 0.089 0.000 1.028 326 T CA -0.563 61.601 62.100 0.107 0.000 0.995 326 T CB 2.369 71.306 68.868 0.115 0.000 1.051 326 T HN 0.461 nan 8.240 nan 0.000 0.470 327 E N 1.357 121.602 120.200 0.075 0.000 2.219 327 E HA -0.151 4.198 4.350 -0.001 0.000 0.198 327 E C 1.706 178.349 176.600 0.071 0.000 0.998 327 E CA 1.061 57.501 56.400 0.066 0.000 0.818 327 E CB -0.075 29.659 29.700 0.056 0.000 0.741 327 E HN 0.663 nan 8.360 nan 0.000 0.477 328 A N -0.532 122.343 122.820 0.093 0.000 2.348 328 A HA 0.112 4.432 4.320 -0.001 0.000 0.224 328 A C 1.964 179.605 177.584 0.094 0.000 1.227 328 A CA 0.518 52.616 52.037 0.102 0.000 0.885 328 A CB 0.391 19.488 19.000 0.161 0.000 0.933 328 A HN 0.101 nan 8.150 nan 0.000 0.506 329 T N -0.787 113.824 114.554 0.095 0.000 2.978 329 T HA 0.294 4.643 4.350 -0.001 0.000 0.248 329 T C 0.729 175.453 174.700 0.040 0.000 1.018 329 T CA -0.244 61.902 62.100 0.077 0.000 1.026 329 T CB -0.232 68.710 68.868 0.124 0.000 1.032 329 T HN 0.383 nan 8.240 nan 0.000 0.485 330 I N 2.248 122.847 120.570 0.048 0.000 2.948 330 I HA 0.153 4.323 4.170 -0.001 0.000 0.290 330 I C 0.584 176.708 176.117 0.012 0.000 1.226 330 I CA -0.162 61.158 61.300 0.034 0.000 1.413 330 I CB 0.637 38.664 38.000 0.044 0.000 1.352 330 I HN 0.266 nan 8.210 nan 0.000 0.597 331 M N 6.401 126.003 119.600 0.003 0.000 2.245 331 M HA 0.222 4.702 4.480 -0.001 0.000 0.330 331 M C -0.829 175.457 176.300 -0.024 0.000 1.098 331 M CA 0.486 55.779 55.300 -0.013 0.000 1.172 331 M CB 0.233 32.825 32.600 -0.012 0.000 1.467 331 M HN 0.487 nan 8.290 nan 0.000 0.454 332 R N 2.993 123.465 120.500 -0.048 0.000 2.771 332 R HA 0.404 4.743 4.340 -0.001 0.000 0.274 332 R C -2.208 174.026 176.300 -0.110 0.000 0.987 332 R CA -1.584 54.462 56.100 -0.089 0.000 0.908 332 R CB 0.175 30.417 30.300 -0.096 0.000 1.213 332 R HN 0.513 nan 8.270 nan 0.000 0.468 333 P HA -0.137 nan 4.420 nan 0.000 0.214 333 P C 0.040 177.270 177.300 -0.116 0.000 1.169 333 P CA 1.786 64.796 63.100 -0.150 0.000 0.908 333 P CB 0.389 31.932 31.700 -0.261 0.000 0.791 334 A N -2.028 120.710 122.820 -0.136 0.000 4.504 334 A HA 0.566 4.885 4.320 -0.001 0.000 0.202 334 A C -1.215 176.317 177.584 -0.086 0.000 0.770 334 A CA -0.398 51.581 52.037 -0.096 0.000 0.714 334 A CB 0.510 19.459 19.000 -0.085 0.000 1.741 334 A HN -0.019 nan 8.150 nan 0.000 0.888 335 E N 0.116 120.278 120.200 -0.063 0.000 2.265 335 E HA 0.525 4.875 4.350 -0.001 0.000 0.262 335 E C -1.792 174.803 176.600 -0.008 0.000 0.889 335 E CA -0.501 55.878 56.400 -0.035 0.000 0.789 335 E CB 1.878 31.569 29.700 -0.015 0.000 1.221 335 E HN 0.388 nan 8.360 nan 0.000 0.414 336 V N 4.098 124.006 119.914 -0.011 0.000 2.508 336 V HA 0.495 4.615 4.120 -0.001 0.000 0.281 336 V C 0.898 177.031 176.094 0.065 0.000 1.041 336 V CA 0.930 63.240 62.300 0.016 0.000 1.016 336 V CB 0.308 32.124 31.823 -0.011 0.000 0.984 336 V HN 0.975 nan 8.190 nan 0.000 0.478 337 G N 4.425 113.299 108.800 0.123 0.000 2.796 337 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.571 337 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.571 337 G C -1.032 174.044 174.900 0.293 0.000 1.370 337 G CA 0.127 45.341 45.100 0.190 0.000 0.856 337 G HN 2.081 nan 8.290 nan 0.000 0.538 338 Y N -2.966 117.364 120.300 0.050 0.000 2.641 338 Y HA 0.748 5.297 4.550 -0.001 0.000 0.333 338 Y C -0.267 175.648 175.900 0.025 0.000 1.174 338 Y CA -0.664 57.467 58.100 0.052 0.000 1.057 338 Y CB 0.580 39.121 38.460 0.135 0.000 1.322 338 Y HN 0.976 nan 8.280 nan 0.000 0.457 339 S N 1.496 117.164 115.700 -0.053 0.000 2.508 339 S HA 0.899 5.368 4.470 -0.001 0.000 0.284 339 S C -0.596 173.950 174.600 -0.090 0.000 1.192 339 S CA -0.170 57.950 58.200 -0.135 0.000 1.070 339 S CB 1.210 64.437 63.200 0.045 0.000 1.004 339 S HN 0.983 nan 8.310 nan 0.000 0.493 340 A N 3.938 126.683 122.820 -0.125 0.000 2.475 340 A HA 0.829 5.148 4.320 -0.001 0.000 0.301 340 A C -2.971 174.678 177.584 0.108 0.000 1.059 340 A CA -2.112 49.938 52.037 0.022 0.000 0.710 340 A CB 0.882 19.890 19.000 0.014 0.000 1.288 340 A HN 0.541 nan 8.150 nan 0.000 0.408 341 P HA 0.121 nan 4.420 nan 0.000 0.261 341 P C -1.309 176.124 177.300 0.221 0.000 1.183 341 P CA 0.789 64.003 63.100 0.189 0.000 0.761 341 P CB -0.200 31.575 31.700 0.124 0.000 0.785 342 Y N 2.097 122.385 120.300 -0.020 0.000 2.335 342 Y HA 0.488 5.038 4.550 -0.001 0.000 0.338 342 Y C -0.089 175.834 175.900 0.038 0.000 0.977 342 Y CA -2.116 55.943 58.100 -0.068 0.000 1.114 342 Y CB 0.336 38.662 38.460 -0.223 0.000 1.182 342 Y HN 0.288 nan 8.280 nan 0.000 0.463 343 Y N 0.598 120.962 120.300 0.106 0.000 3.290 343 Y HA -0.188 4.361 4.550 -0.001 0.000 0.203 343 Y C 0.261 176.267 175.900 0.177 0.000 1.548 343 Y CA 0.355 58.534 58.100 0.131 0.000 1.405 343 Y CB -1.724 36.827 38.460 0.153 0.000 1.500 343 Y HN 0.842 nan 8.280 nan 0.000 0.521 344 S N 0.380 116.205 115.700 0.209 0.000 2.525 344 S HA 0.868 5.337 4.470 -0.001 0.000 0.290 344 S C -0.681 173.905 174.600 -0.023 0.000 1.152 344 S CA -0.290 57.995 58.200 0.142 0.000 1.072 344 S CB 0.813 64.049 63.200 0.060 0.000 1.027 344 S HN 0.163 nan 8.310 nan 0.000 0.500 345 F N 1.971 121.883 119.950 -0.063 0.000 2.540 345 F HA 0.527 5.054 4.527 -0.001 0.000 0.317 345 F C 0.421 176.059 175.800 -0.270 0.000 1.104 345 F CA -0.697 57.209 58.000 -0.157 0.000 0.913 345 F CB 2.167 41.101 39.000 -0.111 0.000 1.170 345 F HN 0.597 nan 8.300 nan 0.000 0.450 346 E N 1.050 120.966 120.200 -0.473 0.000 2.281 346 E HA 0.877 5.226 4.350 -0.001 0.000 0.262 346 E C -1.254 174.952 176.600 -0.657 0.000 0.933 346 E CA -1.306 54.755 56.400 -0.564 0.000 0.809 346 E CB 2.485 31.792 29.700 -0.656 0.000 1.242 346 E HN 0.622 nan 8.360 nan 0.000 0.418 347 A N 1.004 123.654 122.820 -0.282 0.000 2.449 347 A HA 0.739 5.058 4.320 -0.001 0.000 0.302 347 A C -0.930 176.694 177.584 0.068 0.000 1.048 347 A CA -0.444 51.551 52.037 -0.071 0.000 0.708 347 A CB 2.053 21.047 19.000 -0.010 0.000 1.274 347 A HN 0.371 nan 8.150 nan 0.000 0.410 348 S N -0.899 114.897 115.700 0.159 0.000 2.688 348 S HA 0.565 5.034 4.470 -0.001 0.000 0.275 348 S C 1.473 176.100 174.600 0.046 0.000 1.175 348 S CA 0.567 58.835 58.200 0.112 0.000 0.818 348 S CB 0.733 64.029 63.200 0.159 0.000 1.157 348 S HN 1.886 nan 8.310 nan 0.000 0.482 349 T N 0.877 115.417 114.554 -0.023 0.000 2.771 349 T HA -0.285 4.064 4.350 -0.001 0.000 0.262 349 T C 1.227 175.849 174.700 -0.130 0.000 1.027 349 T CA 2.288 64.335 62.100 -0.088 0.000 1.159 349 T CB -0.701 68.085 68.868 -0.137 0.000 0.844 349 T HN 0.623 nan 8.240 nan 0.000 0.478 350 Q N 1.370 121.067 119.800 -0.171 0.000 2.376 350 Q HA 0.458 4.798 4.340 -0.001 0.000 0.206 350 Q C 1.518 177.614 176.000 0.160 0.000 0.921 350 Q CA 0.824 56.461 55.803 -0.276 0.000 0.911 350 Q CB 0.521 28.937 28.738 -0.537 0.000 1.032 350 Q HN 0.851 nan 8.270 nan 0.000 0.510 351 G N 1.304 110.214 108.800 0.183 0.000 2.302 351 G HA2 0.023 3.983 3.960 -0.001 0.000 0.276 351 G HA3 0.023 3.983 3.960 -0.001 0.000 0.276 351 G C -3.169 171.881 174.900 0.251 0.000 1.316 351 G CA -0.988 44.260 45.100 0.247 0.000 0.988 351 G HN -0.037 nan 8.290 nan 0.000 0.479 352 P HA 0.722 nan 4.420 nan 0.000 0.284 352 P C -0.985 176.505 177.300 0.316 0.000 1.258 352 P CA -0.510 62.694 63.100 0.173 0.000 0.824 352 P CB 0.786 32.569 31.700 0.140 0.000 1.038 353 F N -1.304 118.755 119.950 0.182 0.000 2.619 353 F HA 0.584 5.110 4.527 -0.001 0.000 0.308 353 F C -0.552 175.196 175.800 -0.085 0.000 1.097 353 F CA -1.504 56.550 58.000 0.090 0.000 0.953 353 F CB 1.255 40.271 39.000 0.027 0.000 1.287 353 F HN 0.038 nan 8.300 nan 0.000 0.446 354 K N 1.804 122.097 120.400 -0.178 0.000 2.382 354 K HA 0.208 4.528 4.320 -0.001 0.000 0.275 354 K C -0.610 175.892 176.600 -0.163 0.000 1.009 354 K CA 0.093 55.978 56.287 -0.669 0.000 0.970 354 K CB 1.047 33.169 32.500 -0.630 0.000 0.934 354 K HN 0.924 nan 8.250 nan 0.000 0.479 355 T N 7.225 121.657 114.554 -0.203 0.000 2.761 355 T HA 0.199 4.548 4.350 -0.001 0.000 0.296 355 T C -2.145 172.567 174.700 0.021 0.000 0.934 355 T CA -1.049 61.050 62.100 -0.003 0.000 1.091 355 T CB 0.927 69.787 68.868 -0.014 0.000 0.896 355 T HN 0.481 nan 8.240 nan 0.000 0.515 356 P HA 0.325 nan 4.420 nan 0.000 0.275 356 P C -0.828 176.503 177.300 0.052 0.000 1.228 356 P CA -0.400 62.728 63.100 0.046 0.000 0.786 356 P CB 0.886 32.613 31.700 0.045 0.000 0.927 357 I N 1.130 121.728 120.570 0.045 0.000 2.498 357 I HA 0.369 4.538 4.170 -0.001 0.000 0.290 357 I C 0.006 176.160 176.117 0.062 0.000 1.032 357 I CA -0.980 60.347 61.300 0.045 0.000 1.073 357 I CB 1.961 39.950 38.000 -0.018 0.000 1.251 357 I HN 0.364 nan 8.210 nan 0.000 0.426 358 A N 5.529 128.425 122.820 0.127 0.000 2.412 358 A HA 0.858 5.177 4.320 -0.001 0.000 0.334 358 A C -0.171 177.495 177.584 0.136 0.000 1.419 358 A CA -0.293 51.825 52.037 0.135 0.000 0.930 358 A CB 0.423 19.514 19.000 0.152 0.000 1.149 358 A HN 0.926 nan 8.150 nan 0.000 0.515 359 A N 1.693 124.554 122.820 0.067 0.000 2.594 359 A HA 0.783 5.102 4.320 -0.001 0.000 0.296 359 A C 0.155 177.768 177.584 0.048 0.000 1.061 359 A CA 0.007 52.065 52.037 0.036 0.000 0.689 359 A CB 0.481 19.430 19.000 -0.086 0.000 1.280 359 A HN 1.632 nan 8.150 nan 0.000 0.406 360 G N 0.151 108.987 108.800 0.061 0.000 2.695 360 G HA2 0.478 4.438 3.960 -0.001 0.000 0.213 360 G HA3 0.478 4.438 3.960 -0.001 0.000 0.213 360 G C 0.776 175.704 174.900 0.047 0.000 1.406 360 G CA 0.006 45.152 45.100 0.076 0.000 1.049 360 G HN 0.941 nan 8.290 nan 0.000 0.573 361 R N -0.315 120.216 120.500 0.052 0.000 2.319 361 R HA 0.162 4.501 4.340 -0.001 0.000 0.143 361 R C 1.426 177.745 176.300 0.032 0.000 0.601 361 R CA 2.037 58.157 56.100 0.034 0.000 1.367 361 R CB -1.168 29.159 30.300 0.045 0.000 0.505 361 R HN 1.774 nan 8.270 nan 0.000 0.616 362 G N -1.138 107.691 108.800 0.047 0.000 2.738 362 G HA2 0.303 4.262 3.960 -0.001 0.000 0.262 362 G HA3 0.303 4.262 3.960 -0.001 0.000 0.262 362 G C 0.088 175.022 174.900 0.057 0.000 1.032 362 G CA 0.477 45.607 45.100 0.050 0.000 1.278 362 G HN 1.044 nan 8.290 nan 0.000 0.537 363 G N -0.357 108.457 108.800 0.024 0.000 2.348 363 G HA2 0.628 4.588 3.960 -0.001 0.000 0.606 363 G HA3 0.628 4.588 3.960 -0.001 0.000 0.606 363 G C 0.453 175.308 174.900 -0.074 0.000 1.466 363 G CA 0.798 45.868 45.100 -0.050 0.000 0.950 363 G HN 2.444 nan 8.290 nan 0.000 0.657 364 A N 0.494 123.228 122.820 -0.144 0.000 2.630 364 A HA 0.393 4.712 4.320 -0.001 0.000 0.248 364 A C 0.609 178.167 177.584 -0.043 0.000 1.149 364 A CA 0.938 52.923 52.037 -0.086 0.000 0.859 364 A CB 0.043 18.978 19.000 -0.108 0.000 1.073 364 A HN 1.014 nan 8.150 nan 0.000 0.525 365 Q N 0.182 119.965 119.800 -0.027 0.000 2.398 365 Q HA 0.478 4.818 4.340 -0.001 0.000 0.251 365 Q C -0.001 175.995 176.000 -0.007 0.000 0.999 365 Q CA 0.923 56.717 55.803 -0.015 0.000 0.874 365 Q CB 0.707 29.439 28.738 -0.010 0.000 1.215 365 Q HN 0.912 nan 8.270 nan 0.000 0.470 366 T N 0.680 115.235 114.554 0.002 0.000 5.246 366 T HA -0.121 4.229 4.350 -0.001 0.000 0.269 366 T C -0.402 174.308 174.700 0.018 0.000 2.140 366 T CA 0.685 62.794 62.100 0.014 0.000 3.674 366 T CB -1.064 67.812 68.868 0.013 0.000 0.663 366 T HN 0.559 nan 8.240 nan 0.000 1.075 367 D N 0.947 121.355 120.400 0.013 0.000 2.586 367 D HA 0.249 4.888 4.640 -0.001 0.000 0.254 367 D C 0.380 176.714 176.300 0.057 0.000 1.248 367 D CA -0.256 53.760 54.000 0.025 0.000 0.843 367 D CB 0.769 41.536 40.800 -0.055 0.000 1.332 367 D HN 0.387 nan 8.370 nan 0.000 0.523 368 E N 1.656 121.904 120.200 0.080 0.000 3.319 368 E HA 0.301 4.650 4.350 -0.001 0.000 0.355 368 E C -0.304 176.349 176.600 0.088 0.000 0.486 368 E CA -0.315 56.128 56.400 0.072 0.000 2.305 368 E CB 0.400 30.122 29.700 0.036 0.000 2.119 368 E HN 0.284 nan 8.360 nan 0.000 0.464 369 N N -0.790 117.916 118.700 0.010 0.000 3.849 369 N HA -0.067 4.672 4.740 -0.001 0.000 0.109 369 N C 0.420 175.871 175.510 -0.098 0.000 0.848 369 N CA 0.040 53.047 53.050 -0.071 0.000 3.154 369 N CB -0.237 38.148 38.487 -0.170 0.000 1.283 369 N HN 0.235 nan 8.380 nan 0.000 0.806 370 Q N -0.263 119.517 119.800 -0.034 0.000 2.231 370 Q HA -0.324 4.016 4.340 -0.001 0.000 0.217 370 Q C 1.867 177.842 176.000 -0.043 0.000 1.013 370 Q CA 2.475 58.273 55.803 -0.009 0.000 0.917 370 Q CB -0.363 28.401 28.738 0.043 0.000 0.968 370 Q HN 0.651 nan 8.270 nan 0.000 0.414 371 A N 1.093 123.830 122.820 -0.138 0.000 1.840 371 A HA 0.037 4.356 4.320 -0.001 0.000 0.214 371 A C 2.472 179.898 177.584 -0.264 0.000 1.198 371 A CA 1.980 53.830 52.037 -0.310 0.000 0.608 371 A CB -0.968 17.462 19.000 -0.950 0.000 0.839 371 A HN 0.414 nan 8.150 nan 0.000 0.443 372 A N 1.052 123.617 122.820 -0.426 0.000 1.881 372 A HA -0.261 4.058 4.320 -0.001 0.000 0.219 372 A C 1.380 178.763 177.584 -0.336 0.000 1.215 372 A CA 2.377 54.037 52.037 -0.629 0.000 0.648 372 A CB -0.966 17.557 19.000 -0.794 0.000 0.832 372 A HN 0.725 nan 8.150 nan 0.000 0.455 373 D N -2.742 117.524 120.400 -0.224 0.000 2.643 373 D HA 0.412 5.051 4.640 -0.001 0.000 0.244 373 D C 0.709 176.969 176.300 -0.066 0.000 1.257 373 D CA 0.282 54.192 54.000 -0.150 0.000 0.831 373 D CB -0.752 39.975 40.800 -0.122 0.000 1.043 373 D HN 0.719 nan 8.370 nan 0.000 0.488 374 G N 1.336 110.104 108.800 -0.052 0.000 2.306 374 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.274 374 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.274 374 G C -0.570 174.349 174.900 0.032 0.000 0.890 374 G CA -0.129 44.975 45.100 0.007 0.000 1.298 374 G HN 0.378 nan 8.290 nan 0.000 0.445 375 D N 1.825 122.246 120.400 0.036 0.000 2.383 375 D HA 0.302 4.941 4.640 -0.001 0.000 0.252 375 D C -1.128 175.203 176.300 0.050 0.000 1.166 375 D CA -0.662 53.379 54.000 0.068 0.000 0.879 375 D CB 1.177 42.012 40.800 0.057 0.000 1.164 375 D HN 0.338 nan 8.370 nan 0.000 0.462 376 P HA 0.175 nan 4.420 nan 0.000 0.275 376 P C -0.436 176.779 177.300 -0.143 0.000 1.228 376 P CA -0.430 62.632 63.100 -0.063 0.000 0.786 376 P CB 1.254 32.938 31.700 -0.027 0.000 0.927 377 R N 2.406 122.722 120.500 -0.307 0.000 2.480 377 R HA 0.411 4.751 4.340 -0.001 0.000 0.306 377 R C -1.114 174.878 176.300 -0.514 0.000 0.958 377 R CA -0.653 55.253 56.100 -0.323 0.000 0.861 377 R CB 0.860 31.063 30.300 -0.162 0.000 1.171 377 R HN 0.430 nan 8.270 nan 0.000 0.445 378 Y N 1.855 121.836 120.300 -0.531 0.000 2.331 378 Y HA 0.519 5.069 4.550 -0.001 0.000 0.338 378 Y C 0.143 176.084 175.900 0.068 0.000 0.992 378 Y CA -0.482 57.446 58.100 -0.286 0.000 1.121 378 Y CB 2.254 40.394 38.460 -0.534 0.000 1.184 378 Y HN 0.617 nan 8.280 nan 0.000 0.469 379 A N 5.465 128.430 122.820 0.241 0.000 2.303 379 A HA 0.878 5.197 4.320 -0.001 0.000 0.320 379 A C -1.155 176.599 177.584 0.283 0.000 1.192 379 A CA -0.406 51.696 52.037 0.108 0.000 0.821 379 A CB 0.166 19.165 19.000 -0.002 0.000 1.188 379 A HN 0.699 nan 8.150 nan 0.000 0.492 380 F N -0.152 119.858 119.950 0.101 0.000 3.052 380 F HA 0.892 5.419 4.527 -0.001 0.000 0.323 380 F C -0.053 175.792 175.800 0.076 0.000 1.178 380 F CA -0.734 57.330 58.000 0.106 0.000 0.892 380 F CB 0.808 39.902 39.000 0.157 0.000 1.416 380 F HN 1.151 nan 8.300 nan 0.000 0.488 381 G N 0.142 109.080 108.800 0.230 0.000 2.633 381 G HA2 0.551 4.510 3.960 -0.001 0.000 0.299 381 G HA3 0.551 4.510 3.960 -0.001 0.000 0.299 381 G C -0.688 174.226 174.900 0.023 0.000 1.501 381 G CA 0.022 45.164 45.100 0.070 0.000 0.887 381 G HN 0.984 nan 8.290 nan 0.000 0.561 382 R N -0.600 119.927 120.500 0.043 0.000 1.206 382 R HA -0.299 4.040 4.340 -0.001 0.000 0.020 382 R C 2.035 178.330 176.300 -0.008 0.000 0.960 382 R CA 3.139 59.244 56.100 0.009 0.000 1.963 382 R CB -1.508 28.763 30.300 -0.049 0.000 0.163 382 R HN 0.714 nan 8.270 nan 0.000 0.724 383 Q N -0.563 119.104 119.800 -0.221 0.000 2.378 383 Q HA -0.040 4.300 4.340 -0.001 0.000 0.205 383 Q C 0.020 175.566 176.000 -0.758 0.000 0.954 383 Q CA 1.402 56.932 55.803 -0.455 0.000 0.901 383 Q CB 0.289 28.604 28.738 -0.706 0.000 0.981 383 Q HN 0.630 nan 8.270 nan 0.000 0.483 384 H N -1.304 117.555 119.070 -0.353 0.000 2.676 384 H HA 0.412 4.967 4.556 -0.001 0.000 0.238 384 H C 0.335 175.558 175.328 -0.174 0.000 1.276 384 H CA 0.415 55.977 56.048 -0.811 0.000 0.983 384 H CB 0.840 30.064 29.762 -0.897 0.000 2.000 384 H HN 0.363 nan 8.280 nan 0.000 0.584 385 G N 1.044 109.938 108.800 0.156 0.000 2.039 385 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.207 385 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.207 385 G C -0.249 174.876 174.900 0.376 0.000 1.133 385 G CA -0.382 44.917 45.100 0.332 0.000 1.296 385 G HN 0.421 nan 8.290 nan 0.000 0.459 386 Q N 1.572 121.640 119.800 0.446 0.000 3.389 386 Q HA -0.188 4.152 4.340 -0.001 0.000 0.348 386 Q C 0.505 176.600 176.000 0.158 0.000 1.414 386 Q CA 1.445 57.378 55.803 0.217 0.000 0.848 386 Q CB -0.012 28.778 28.738 0.087 0.000 1.262 386 Q HN 0.763 nan 8.270 nan 0.000 0.561 387 K N 3.495 123.967 120.400 0.120 0.000 2.548 387 K HA -0.174 4.146 4.320 -0.001 0.000 0.277 387 K C 0.298 176.932 176.600 0.057 0.000 1.001 387 K CA 1.158 57.497 56.287 0.088 0.000 1.102 387 K CB 0.405 32.939 32.500 0.057 0.000 0.848 387 K HN 0.767 nan 8.250 nan 0.000 0.487 388 T N 2.030 116.606 114.554 0.037 0.000 2.821 388 T HA -0.125 4.225 4.350 -0.001 0.000 0.267 388 T C 1.458 176.150 174.700 -0.013 0.000 1.046 388 T CA 1.924 64.022 62.100 -0.003 0.000 1.139 388 T CB -0.200 68.631 68.868 -0.061 0.000 0.871 388 T HN 0.863 nan 8.240 nan 0.000 0.454 389 T N 0.381 114.931 114.554 -0.006 0.000 3.215 389 T HA 0.068 4.417 4.350 -0.001 0.000 0.254 389 T C 0.852 175.546 174.700 -0.010 0.000 1.149 389 T CA 0.002 62.096 62.100 -0.010 0.000 1.042 389 T CB -0.673 68.190 68.868 -0.007 0.000 0.966 389 T HN 0.108 nan 8.240 nan 0.000 0.534 390 T N 3.326 117.876 114.554 -0.006 0.000 2.940 390 T HA 0.290 4.639 4.350 -0.001 0.000 0.309 390 T C 0.539 175.229 174.700 -0.018 0.000 1.056 390 T CA 0.117 62.212 62.100 -0.009 0.000 1.137 390 T CB 0.767 69.632 68.868 -0.007 0.000 0.976 390 T HN 0.409 nan 8.240 nan 0.000 0.547 391 T N 1.496 116.040 114.554 -0.018 0.000 2.876 391 T HA 0.705 5.054 4.350 -0.001 0.000 0.277 391 T C 0.878 175.564 174.700 -0.024 0.000 0.997 391 T CA -0.084 62.003 62.100 -0.021 0.000 0.966 391 T CB 0.758 69.615 68.868 -0.019 0.000 1.312 391 T HN 1.049 nan 8.240 nan 0.000 0.598 392 G N 0.662 109.448 108.800 -0.024 0.000 2.641 392 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.254 392 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.254 392 G C -0.530 174.352 174.900 -0.030 0.000 1.315 392 G CA 0.130 45.215 45.100 -0.025 0.000 0.907 392 G HN 0.770 nan 8.290 nan 0.000 0.572 393 E N -0.456 119.725 120.200 -0.031 0.000 4.170 393 E HA 0.286 4.636 4.350 -0.001 0.000 0.199 393 E C -0.739 175.839 176.600 -0.038 0.000 1.080 393 E CA -0.121 56.258 56.400 -0.035 0.000 1.446 393 E CB 0.851 30.531 29.700 -0.032 0.000 1.170 393 E HN 0.432 nan 8.360 nan 0.000 0.429 394 T N 3.492 118.021 114.554 -0.041 0.000 2.743 394 T HA 0.299 4.648 4.350 -0.001 0.000 0.292 394 T C -1.860 172.798 174.700 -0.070 0.000 0.972 394 T CA -1.276 60.796 62.100 -0.047 0.000 0.967 394 T CB 1.238 70.082 68.868 -0.040 0.000 0.926 394 T HN 0.096 nan 8.240 nan 0.000 0.459 395 P HA 0.203 nan 4.420 nan 0.000 0.271 395 P C -0.325 176.848 177.300 -0.212 0.000 1.233 395 P CA -0.328 62.685 63.100 -0.145 0.000 0.789 395 P CB 0.852 32.478 31.700 -0.124 0.000 0.951 396 E N 1.001 120.962 120.200 -0.399 0.000 2.250 396 E HA 0.475 4.825 4.350 -0.001 0.000 0.269 396 E C -0.194 176.008 176.600 -0.665 0.000 1.018 396 E CA -0.594 55.529 56.400 -0.462 0.000 0.873 396 E CB 0.914 30.305 29.700 -0.516 0.000 1.134 396 E HN 0.528 nan 8.360 nan 0.000 0.403 397 R N 1.201 121.546 120.500 -0.258 0.000 2.741 397 R HA 0.616 4.955 4.340 -0.001 0.000 0.274 397 R C -1.330 175.160 176.300 0.317 0.000 1.029 397 R CA -0.920 55.183 56.100 0.005 0.000 0.880 397 R CB 0.613 30.880 30.300 -0.054 0.000 1.264 397 R HN 0.540 nan 8.270 nan 0.000 0.465 398 F N -2.305 117.738 119.950 0.155 0.000 2.703 398 F HA 0.559 5.085 4.527 -0.001 0.000 0.308 398 F C -1.700 174.119 175.800 0.033 0.000 1.126 398 F CA -0.873 57.148 58.000 0.036 0.000 0.959 398 F CB 2.026 40.931 39.000 -0.157 0.000 1.297 398 F HN 0.402 nan 8.300 nan 0.000 0.441 399 T N 2.635 117.209 114.554 0.032 0.000 2.770 399 T HA 0.251 4.600 4.350 -0.001 0.000 0.297 399 T C -1.321 173.453 174.700 0.123 0.000 0.997 399 T CA -0.226 61.869 62.100 -0.008 0.000 0.949 399 T CB 0.052 68.938 68.868 0.030 0.000 0.941 399 T HN 0.605 nan 8.240 nan 0.000 0.457 400 Y N 4.433 124.778 120.300 0.076 0.000 2.442 400 Y HA 0.385 4.934 4.550 -0.001 0.000 0.330 400 Y C -0.065 175.924 175.900 0.149 0.000 1.129 400 Y CA -0.451 57.781 58.100 0.219 0.000 1.365 400 Y CB 0.253 38.903 38.460 0.318 0.000 1.233 400 Y HN 0.551 nan 8.280 nan 0.000 0.529 401 I N 7.088 127.434 120.570 -0.374 0.000 2.502 401 I HA 0.339 4.508 4.170 -0.001 0.000 0.276 401 I C 0.028 175.928 176.117 -0.363 0.000 1.057 401 I CA -0.759 60.408 61.300 -0.221 0.000 1.163 401 I CB 0.570 38.492 38.000 -0.131 0.000 1.288 401 I HN 0.775 nan 8.210 nan 0.000 0.479 402 A N 4.652 127.410 122.820 -0.104 0.000 2.547 402 A HA 0.036 4.356 4.320 -0.001 0.000 0.233 402 A C 1.019 178.532 177.584 -0.118 0.000 1.067 402 A CA 0.392 52.439 52.037 0.016 0.000 0.763 402 A CB 0.082 19.223 19.000 0.234 0.000 1.007 402 A HN 0.725 nan 8.150 nan 0.000 0.506 403 H N 0.369 119.416 119.070 -0.038 0.000 2.512 403 H HA -0.033 4.523 4.556 -0.001 0.000 0.279 403 H C 0.506 175.717 175.328 -0.196 0.000 0.999 403 H CA 1.174 57.076 56.048 -0.243 0.000 1.283 403 H CB 0.157 29.588 29.762 -0.552 0.000 1.421 403 H HN 0.823 nan 8.280 nan 0.000 0.554 404 Q N 1.946 121.829 119.800 0.139 0.000 2.286 404 Q HA 0.063 4.402 4.340 -0.001 0.000 0.267 404 Q C -0.896 175.200 176.000 0.160 0.000 1.028 404 Q CA -0.216 55.719 55.803 0.220 0.000 0.901 404 Q CB 0.554 29.425 28.738 0.222 0.000 1.183 404 Q HN -0.024 nan 8.270 nan 0.000 0.392 405 D N 4.142 124.657 120.400 0.191 0.000 2.600 405 D HA 0.010 4.650 4.640 -0.001 0.000 0.226 405 D C 0.306 176.671 176.300 0.109 0.000 1.119 405 D CA 0.253 54.340 54.000 0.145 0.000 1.051 405 D CB 0.247 41.161 40.800 0.190 0.000 1.106 405 D HN 0.741 nan 8.370 nan 0.000 0.491 406 T N -2.608 112.000 114.554 0.090 0.000 3.145 406 T HA 0.371 4.720 4.350 -0.001 0.000 0.281 406 T C 0.920 175.646 174.700 0.043 0.000 1.003 406 T CA -0.663 61.482 62.100 0.074 0.000 0.901 406 T CB 0.760 69.683 68.868 0.092 0.000 1.112 406 T HN 0.150 nan 8.240 nan 0.000 0.535 407 G N 1.107 109.924 108.800 0.028 0.000 2.568 407 G HA2 0.708 4.668 3.960 -0.001 0.000 0.293 407 G HA3 0.708 4.668 3.960 -0.001 0.000 0.293 407 G C -0.741 174.148 174.900 -0.019 0.000 1.347 407 G CA -0.903 44.186 45.100 -0.018 0.000 1.039 407 G HN 0.227 nan 8.290 nan 0.000 0.523 408 R N -1.650 118.817 120.500 -0.055 0.000 2.795 408 R HA 0.300 4.639 4.340 -0.001 0.000 0.275 408 R C -1.965 174.334 176.300 -0.001 0.000 0.981 408 R CA -0.907 55.175 56.100 -0.030 0.000 0.917 408 R CB 1.664 31.911 30.300 -0.088 0.000 1.202 408 R HN 0.615 nan 8.270 nan 0.000 0.469 409 Y N 3.231 123.484 120.300 -0.079 0.000 2.805 409 Y HA 0.294 4.843 4.550 -0.001 0.000 0.339 409 Y C -1.763 174.100 175.900 -0.062 0.000 1.012 409 Y CA -2.059 55.998 58.100 -0.073 0.000 1.262 409 Y CB 1.353 39.798 38.460 -0.025 0.000 1.100 409 Y HN 0.404 nan 8.280 nan 0.000 0.559 410 P HA -0.266 nan 4.420 nan 0.000 0.217 410 P C 0.903 178.024 177.300 -0.298 0.000 1.158 410 P CA 2.053 64.963 63.100 -0.316 0.000 0.887 410 P CB 0.453 31.962 31.700 -0.319 0.000 0.792 411 E N -1.043 118.831 120.200 -0.544 0.000 2.219 411 E HA -0.124 4.226 4.350 -0.001 0.000 0.198 411 E C 2.167 178.766 176.600 -0.001 0.000 0.998 411 E CA 1.539 57.750 56.400 -0.315 0.000 0.818 411 E CB -1.302 28.121 29.700 -0.462 0.000 0.741 411 E HN 0.330 nan 8.360 nan 0.000 0.477 412 G N 0.324 109.196 108.800 0.121 0.000 2.623 412 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.214 412 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.214 412 G C 0.131 175.219 174.900 0.313 0.000 1.138 412 G CA -0.143 45.145 45.100 0.313 0.000 0.794 412 G HN 0.104 nan 8.290 nan 0.000 0.535 413 D N -0.045 120.451 120.400 0.161 0.000 2.357 413 D HA 0.443 5.083 4.640 -0.001 0.000 0.242 413 D C -0.009 176.500 176.300 0.349 0.000 1.153 413 D CA 0.139 54.221 54.000 0.138 0.000 0.918 413 D CB 1.019 41.794 40.800 -0.042 0.000 1.181 413 D HN 0.493 nan 8.370 nan 0.000 0.435 414 W N -0.242 121.164 121.300 0.177 0.000 2.982 414 W HA 0.597 5.256 4.660 -0.001 0.000 0.344 414 W C -2.376 174.187 176.519 0.073 0.000 1.215 414 W CA -0.795 56.646 57.345 0.161 0.000 1.182 414 W CB 0.441 29.952 29.460 0.086 0.000 1.437 414 W HN 0.183 nan 8.180 nan 0.000 0.570 415 I N 2.170 122.880 120.570 0.233 0.000 2.686 415 I HA 0.314 4.483 4.170 -0.001 0.000 0.295 415 I C -0.575 175.675 176.117 0.222 0.000 1.114 415 I CA -1.118 60.185 61.300 0.005 0.000 1.038 415 I CB 2.329 40.148 38.000 -0.301 0.000 1.238 415 I HN 0.551 nan 8.210 nan 0.000 0.420 416 Q N 3.542 123.464 119.800 0.204 0.000 2.387 416 Q HA 0.355 4.695 4.340 -0.001 0.000 0.273 416 Q C -0.738 175.359 176.000 0.162 0.000 1.089 416 Q CA -0.961 54.986 55.803 0.240 0.000 0.824 416 Q CB 2.818 31.787 28.738 0.386 0.000 1.367 416 Q HN 0.503 nan 8.270 nan 0.000 0.443 417 N N 1.644 120.426 118.700 0.136 0.000 2.518 417 N HA 0.029 4.768 4.740 -0.001 0.000 0.266 417 N C 1.027 176.627 175.510 0.150 0.000 1.196 417 N CA 0.217 53.330 53.050 0.106 0.000 0.947 417 N CB 0.748 39.281 38.487 0.076 0.000 1.098 417 N HN 0.672 nan 8.380 nan 0.000 0.450 418 I N 1.626 122.262 120.570 0.110 0.000 2.290 418 I HA -0.378 3.791 4.170 -0.001 0.000 0.253 418 I C 1.448 177.649 176.117 0.139 0.000 1.112 418 I CA 1.102 62.465 61.300 0.105 0.000 1.377 418 I CB -0.493 37.545 38.000 0.063 0.000 1.060 418 I HN 0.516 nan 8.210 nan 0.000 0.428 419 N N 0.505 119.289 118.700 0.140 0.000 2.573 419 N HA -0.117 4.622 4.740 -0.001 0.000 0.187 419 N C 0.954 176.622 175.510 0.265 0.000 1.107 419 N CA 0.604 53.745 53.050 0.152 0.000 0.918 419 N CB -0.172 38.377 38.487 0.103 0.000 0.966 419 N HN 0.242 nan 8.380 nan 0.000 0.448 420 F N 0.818 120.814 119.950 0.077 0.000 2.756 420 F HA -0.439 4.087 4.527 -0.001 0.000 0.240 420 F C 0.587 176.446 175.800 0.097 0.000 1.487 420 F CA 1.498 59.562 58.000 0.107 0.000 1.859 420 F CB -0.866 38.212 39.000 0.130 0.000 1.319 420 F HN 0.259 nan 8.300 nan 0.000 0.230 421 N N 0.580 119.342 118.700 0.103 0.000 2.606 421 N HA -0.167 4.572 4.740 -0.001 0.000 0.274 421 N C -1.241 174.212 175.510 -0.095 0.000 1.242 421 N CA 0.893 53.959 53.050 0.026 0.000 0.648 421 N CB -1.296 37.220 38.487 0.049 0.000 0.904 421 N HN 0.567 nan 8.380 nan 0.000 0.550 422 L N 1.143 122.287 121.223 -0.131 0.000 2.375 422 L HA 0.717 5.057 4.340 -0.001 0.000 0.268 422 L C -1.280 175.540 176.870 -0.083 0.000 1.058 422 L CA -1.740 52.995 54.840 -0.175 0.000 0.803 422 L CB -0.042 41.849 42.059 -0.279 0.000 1.212 422 L HN 0.123 nan 8.230 nan 0.000 0.451 423 P HA 0.126 nan 4.420 nan 0.000 0.271 423 P C -0.582 176.639 177.300 -0.133 0.000 1.216 423 P CA -0.373 62.646 63.100 -0.136 0.000 0.776 423 P CB 0.954 32.589 31.700 -0.107 0.000 0.881 424 V N 3.191 123.001 119.914 -0.173 0.000 2.655 424 V HA 0.040 4.160 4.120 -0.001 0.000 0.300 424 V C 0.232 176.269 176.094 -0.094 0.000 1.044 424 V CA 0.476 62.695 62.300 -0.135 0.000 1.095 424 V CB 0.591 32.324 31.823 -0.151 0.000 0.952 424 V HN 0.630 nan 8.190 nan 0.000 0.485 425 T N 6.241 120.760 114.554 -0.058 0.000 2.817 425 T HA 0.118 4.467 4.350 -0.001 0.000 0.293 425 T C 1.247 175.929 174.700 -0.030 0.000 0.964 425 T CA 0.445 62.522 62.100 -0.040 0.000 1.085 425 T CB 0.747 69.601 68.868 -0.023 0.000 0.921 425 T HN 0.944 nan 8.240 nan 0.000 0.502 426 N N 3.095 121.777 118.700 -0.031 0.000 2.165 426 N HA -0.211 4.529 4.740 -0.001 0.000 0.198 426 N C 1.266 176.770 175.510 -0.009 0.000 0.999 426 N CA 1.817 54.855 53.050 -0.021 0.000 0.893 426 N CB 0.003 38.480 38.487 -0.018 0.000 1.025 426 N HN 0.524 nan 8.380 nan 0.000 0.456 427 D N -1.047 119.350 120.400 -0.006 0.000 2.371 427 D HA -0.023 4.617 4.640 -0.001 0.000 0.221 427 D C -0.071 176.232 176.300 0.007 0.000 0.986 427 D CA 0.672 54.673 54.000 0.001 0.000 0.899 427 D CB -0.250 40.552 40.800 0.002 0.000 0.902 427 D HN 0.477 nan 8.370 nan 0.000 0.530 428 N N -0.622 118.083 118.700 0.008 0.000 2.433 428 N HA 0.130 4.869 4.740 -0.001 0.000 0.270 428 N C -1.230 174.301 175.510 0.035 0.000 1.354 428 N CA -0.099 52.964 53.050 0.022 0.000 0.889 428 N CB 1.599 40.102 38.487 0.027 0.000 1.285 428 N HN -0.202 nan 8.380 nan 0.000 0.503 429 V N 0.386 120.316 119.914 0.027 0.000 2.777 429 V HA 0.419 4.538 4.120 -0.001 0.000 0.306 429 V C -1.208 174.908 176.094 0.035 0.000 1.112 429 V CA -0.855 61.477 62.300 0.052 0.000 0.917 429 V CB 2.388 34.225 31.823 0.024 0.000 1.018 429 V HN -0.061 nan 8.190 nan 0.000 0.426 430 L N 5.163 126.402 121.223 0.028 0.000 2.313 430 L HA 0.824 5.163 4.340 -0.001 0.000 0.283 430 L C -0.939 176.005 176.870 0.124 0.000 1.013 430 L CA -0.022 54.814 54.840 -0.005 0.000 0.816 430 L CB 1.307 43.249 42.059 -0.195 0.000 1.236 430 L HN 0.589 nan 8.230 nan 0.000 0.419 431 L N 6.535 127.862 121.223 0.174 0.000 2.323 431 L HA 0.656 4.995 4.340 -0.001 0.000 0.265 431 L C -1.633 175.361 176.870 0.207 0.000 1.012 431 L CA -1.373 53.605 54.840 0.230 0.000 0.820 431 L CB 1.258 43.389 42.059 0.120 0.000 1.334 431 L HN 0.405 nan 8.230 nan 0.000 0.427 432 P HA -0.058 nan 4.420 nan 0.000 0.236 432 P C 0.577 177.879 177.300 0.003 0.000 1.172 432 P CA 0.943 64.035 63.100 -0.013 0.000 0.759 432 P CB 0.261 31.914 31.700 -0.078 0.000 0.843 433 T N -1.396 113.181 114.554 0.038 0.000 3.045 433 T HA 0.035 4.384 4.350 -0.001 0.000 0.239 433 T C 0.529 175.245 174.700 0.026 0.000 1.008 433 T CA 0.053 62.166 62.100 0.021 0.000 1.143 433 T CB -0.256 68.624 68.868 0.020 0.000 0.894 433 T HN 0.128 nan 8.240 nan 0.000 0.451 434 D N 3.090 123.517 120.400 0.045 0.000 2.506 434 D HA 0.117 4.757 4.640 -0.001 0.000 0.234 434 D C -2.401 173.921 176.300 0.037 0.000 1.143 434 D CA -0.671 53.352 54.000 0.039 0.000 0.871 434 D CB 0.468 41.297 40.800 0.049 0.000 1.190 434 D HN 0.190 nan 8.370 nan 0.000 0.459 435 P HA 0.310 nan 4.420 nan 0.000 0.278 435 P C -0.422 176.892 177.300 0.022 0.000 1.258 435 P CA -0.582 62.526 63.100 0.014 0.000 0.811 435 P CB 0.982 32.684 31.700 0.002 0.000 1.063 436 I N 0.393 120.973 120.570 0.017 0.000 2.545 436 I HA 0.338 4.507 4.170 -0.001 0.000 0.292 436 I C 1.180 177.304 176.117 0.011 0.000 1.040 436 I CA -0.458 60.857 61.300 0.024 0.000 1.068 436 I CB 0.705 38.728 38.000 0.038 0.000 1.251 436 I HN 0.693 nan 8.210 nan 0.000 0.424 437 G N 4.324 113.132 108.800 0.014 0.000 2.225 437 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.267 437 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.267 437 G C 1.103 176.001 174.900 -0.002 0.000 1.024 437 G CA 0.869 45.974 45.100 0.008 0.000 0.784 437 G HN 1.696 nan 8.290 nan 0.000 0.507 438 G N -1.407 107.392 108.800 -0.002 0.000 2.228 438 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.270 438 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.270 438 G C 0.664 175.553 174.900 -0.019 0.000 0.976 438 G CA 1.272 46.367 45.100 -0.008 0.000 0.636 438 G HN 0.995 nan 8.290 nan 0.000 0.542 439 K N 0.541 120.928 120.400 -0.022 0.000 2.326 439 K HA 0.398 4.717 4.320 -0.001 0.000 0.275 439 K C 1.322 177.904 176.600 -0.029 0.000 1.018 439 K CA 0.293 56.558 56.287 -0.036 0.000 0.962 439 K CB 0.942 33.419 32.500 -0.038 0.000 0.953 439 K HN 0.115 nan 8.250 nan 0.000 0.475 440 T N 0.876 115.409 114.554 -0.034 0.000 2.978 440 T HA -0.026 4.324 4.350 -0.001 0.000 0.262 440 T C 1.344 176.028 174.700 -0.027 0.000 1.063 440 T CA 1.322 63.407 62.100 -0.026 0.000 1.140 440 T CB 0.115 68.968 68.868 -0.025 0.000 0.886 440 T HN 0.773 nan 8.240 nan 0.000 0.470 441 G N 0.824 109.604 108.800 -0.034 0.000 3.448 441 G HA2 0.388 4.347 3.960 -0.001 0.000 0.261 441 G HA3 0.388 4.347 3.960 -0.001 0.000 0.261 441 G C -0.047 174.821 174.900 -0.053 0.000 1.173 441 G CA -0.163 44.915 45.100 -0.036 0.000 0.835 441 G HN 0.285 nan 8.290 nan 0.000 0.534 442 I N 1.373 121.912 120.570 -0.052 0.000 2.686 442 I HA 0.431 4.600 4.170 -0.001 0.000 0.295 442 I C -1.200 174.888 176.117 -0.047 0.000 1.114 442 I CA -1.100 60.159 61.300 -0.068 0.000 1.038 442 I CB 1.890 39.861 38.000 -0.048 0.000 1.238 442 I HN 0.233 nan 8.210 nan 0.000 0.420 443 N N 3.892 122.553 118.700 -0.066 0.000 2.853 443 N HA 0.139 4.879 4.740 -0.001 0.000 0.258 443 N C 0.503 176.008 175.510 -0.009 0.000 1.444 443 N CA -0.665 52.375 53.050 -0.016 0.000 0.837 443 N CB 1.169 39.637 38.487 -0.033 0.000 1.489 443 N HN 0.541 nan 8.380 nan 0.000 0.529 444 Y N 0.016 120.286 120.300 -0.050 0.000 2.193 444 Y HA -0.230 4.319 4.550 -0.001 0.000 0.285 444 Y C 2.322 178.206 175.900 -0.027 0.000 1.166 444 Y CA 2.676 60.744 58.100 -0.054 0.000 1.181 444 Y CB -1.374 37.009 38.460 -0.128 0.000 0.976 444 Y HN 0.665 nan 8.280 nan 0.000 0.520 445 T N -1.475 112.606 114.554 -0.789 0.000 2.737 445 T HA -0.312 4.037 4.350 -0.001 0.000 0.269 445 T C 1.494 176.246 174.700 0.086 0.000 1.040 445 T CA 1.985 63.829 62.100 -0.427 0.000 1.142 445 T CB -1.178 67.545 68.868 -0.242 0.000 0.861 445 T HN 0.680 nan 8.240 nan 0.000 0.456 446 N N 0.486 119.105 118.700 -0.136 0.000 2.149 446 N HA -0.008 4.732 4.740 -0.001 0.000 0.188 446 N C 1.601 177.094 175.510 -0.029 0.000 1.019 446 N CA 1.214 54.072 53.050 -0.320 0.000 0.857 446 N CB -0.129 38.144 38.487 -0.357 0.000 0.997 446 N HN 0.302 nan 8.380 nan 0.000 0.426 447 I N -0.100 120.522 120.570 0.087 0.000 3.035 447 I HA 0.014 4.183 4.170 -0.001 0.000 0.271 447 I C 0.411 176.695 176.117 0.278 0.000 1.190 447 I CA 0.075 61.471 61.300 0.161 0.000 1.472 447 I CB -0.807 37.291 38.000 0.164 0.000 1.116 447 I HN 0.026 nan 8.210 nan 0.000 0.443 448 F N 2.964 122.992 119.950 0.131 0.000 2.646 448 F HA -0.075 4.452 4.527 -0.001 0.000 0.363 448 F C 0.835 176.719 175.800 0.140 0.000 1.143 448 F CA 0.554 58.652 58.000 0.163 0.000 1.356 448 F CB -0.036 39.053 39.000 0.148 0.000 1.055 448 F HN 0.121 nan 8.300 nan 0.000 0.606 449 N N 1.873 120.399 118.700 -0.290 0.000 2.655 449 N HA 0.117 4.857 4.740 -0.001 0.000 0.277 449 N C -0.837 174.464 175.510 -0.347 0.000 1.177 449 N CA -0.228 52.709 53.050 -0.188 0.000 0.882 449 N CB 0.890 39.381 38.487 0.007 0.000 1.481 449 N HN 0.517 nan 8.380 nan 0.000 0.547 450 T N 0.210 114.603 114.554 -0.268 0.000 3.242 450 T HA 0.192 4.541 4.350 -0.001 0.000 0.253 450 T C -0.036 174.715 174.700 0.085 0.000 0.946 450 T CA -0.386 61.608 62.100 -0.177 0.000 0.944 450 T CB -0.772 67.978 68.868 -0.195 0.000 1.122 450 T HN 0.376 nan 8.240 nan 0.000 0.546 451 Y N 1.464 121.760 120.300 -0.007 0.000 2.299 451 Y HA 0.655 5.204 4.550 -0.001 0.000 0.326 451 Y C 0.494 176.341 175.900 -0.088 0.000 1.164 451 Y CA -0.123 57.930 58.100 -0.079 0.000 1.234 451 Y CB 0.803 39.144 38.460 -0.199 0.000 1.219 451 Y HN 0.525 nan 8.280 nan 0.000 0.497 452 G N 4.593 112.998 108.800 -0.658 0.000 2.561 452 G HA2 0.224 4.184 3.960 -0.001 0.000 0.310 452 G HA3 0.224 4.184 3.960 -0.001 0.000 0.310 452 G C -2.598 172.000 174.900 -0.504 0.000 1.292 452 G CA -0.900 43.909 45.100 -0.486 0.000 0.811 452 G HN 0.342 nan 8.290 nan 0.000 0.482 453 P HA 0.120 nan 4.420 nan 0.000 0.244 453 P C 0.705 177.901 177.300 -0.173 0.000 1.211 453 P CA 0.556 63.525 63.100 -0.218 0.000 0.760 453 P CB 0.196 31.813 31.700 -0.138 0.000 0.961 454 L N -1.361 119.755 121.223 -0.179 0.000 3.016 454 L HA 0.181 4.521 4.340 -0.001 0.000 0.267 454 L C 0.321 177.125 176.870 -0.109 0.000 1.182 454 L CA 0.037 54.805 54.840 -0.120 0.000 0.997 454 L CB 0.147 42.151 42.059 -0.093 0.000 1.354 454 L HN -0.226 nan 8.230 nan 0.000 0.569 455 T N 1.795 116.254 114.554 -0.158 0.000 2.799 455 T HA 0.412 4.762 4.350 -0.001 0.000 0.296 455 T C 0.365 175.052 174.700 -0.021 0.000 0.947 455 T CA -0.114 61.939 62.100 -0.078 0.000 1.141 455 T CB 1.181 69.980 68.868 -0.114 0.000 0.891 455 T HN 0.241 nan 8.240 nan 0.000 0.533 456 A N 3.849 126.679 122.820 0.016 0.000 2.305 456 A HA 0.824 5.143 4.320 -0.001 0.000 0.322 456 A C -0.619 177.008 177.584 0.071 0.000 1.187 456 A CA -0.679 51.373 52.037 0.025 0.000 0.825 456 A CB 0.679 19.680 19.000 0.001 0.000 1.164 456 A HN 0.741 nan 8.150 nan 0.000 0.498 457 L N 2.065 123.334 121.223 0.076 0.000 2.568 457 L HA 0.641 4.980 4.340 -0.001 0.000 0.257 457 L C -1.337 175.584 176.870 0.085 0.000 1.024 457 L CA -0.454 54.450 54.840 0.107 0.000 0.854 457 L CB 2.173 44.310 42.059 0.130 0.000 1.460 457 L HN 0.711 nan 8.230 nan 0.000 0.409 458 N N 1.096 119.853 118.700 0.095 0.000 2.453 458 N HA 0.407 5.146 4.740 -0.001 0.000 0.290 458 N C -1.403 174.157 175.510 0.083 0.000 1.250 458 N CA -0.644 52.455 53.050 0.082 0.000 0.815 458 N CB 1.585 40.124 38.487 0.086 0.000 1.381 458 N HN 0.757 nan 8.380 nan 0.000 0.510 459 N N -0.560 118.181 118.700 0.069 0.000 2.463 459 N HA 0.202 4.942 4.740 -0.001 0.000 0.270 459 N C -0.420 175.132 175.510 0.069 0.000 1.205 459 N CA -0.546 52.541 53.050 0.061 0.000 0.974 459 N CB 1.028 39.537 38.487 0.037 0.000 1.197 459 N HN 0.066 nan 8.380 nan 0.000 0.504 460 V N 2.995 122.950 119.914 0.068 0.000 2.720 460 V HA 0.057 4.176 4.120 -0.001 0.000 0.307 460 V C -1.688 174.442 176.094 0.060 0.000 1.071 460 V CA -0.481 61.865 62.300 0.078 0.000 1.199 460 V CB 0.566 32.436 31.823 0.078 0.000 0.900 460 V HN 0.704 nan 8.190 nan 0.000 0.494 461 P HA 0.374 nan 4.420 nan 0.000 0.284 461 P C -2.775 174.531 177.300 0.009 0.000 1.258 461 P CA -2.210 60.930 63.100 0.067 0.000 0.824 461 P CB 1.033 32.825 31.700 0.154 0.000 1.038 462 P HA 0.048 nan 4.420 nan 0.000 0.268 462 P C -0.540 176.649 177.300 -0.184 0.000 1.205 462 P CA 0.171 63.271 63.100 0.001 0.000 0.771 462 P CB 0.475 32.136 31.700 -0.064 0.000 0.858 463 V N 4.995 124.771 119.914 -0.229 0.000 2.304 463 V HA 0.157 4.276 4.120 -0.001 0.000 0.278 463 V C -0.203 175.676 176.094 -0.357 0.000 1.018 463 V CA -0.674 61.384 62.300 -0.402 0.000 0.814 463 V CB 0.232 31.764 31.823 -0.484 0.000 1.021 463 V HN 0.472 nan 8.190 nan 0.000 0.440 464 Y N 8.983 128.920 120.300 -0.604 0.000 2.304 464 Y HA 0.510 5.059 4.550 -0.001 0.000 0.328 464 Y C -1.664 173.968 175.900 -0.446 0.000 1.123 464 Y CA -1.747 55.870 58.100 -0.804 0.000 1.218 464 Y CB 2.289 39.748 38.460 -1.669 0.000 1.207 464 Y HN 0.423 nan 8.280 nan 0.000 0.495 465 P HA 0.092 nan 4.420 nan 0.000 0.282 465 P C -0.356 176.548 177.300 -0.661 0.000 1.327 465 P CA 0.427 62.696 63.100 -1.385 0.000 0.949 465 P CB 0.676 31.293 31.700 -1.804 0.000 1.445 466 N N 0.487 118.912 118.700 -0.457 0.000 2.467 466 N HA 0.013 4.752 4.740 -0.001 0.000 0.184 466 N C 1.229 176.574 175.510 -0.275 0.000 1.106 466 N CA 0.364 53.222 53.050 -0.321 0.000 0.892 466 N CB 0.189 38.410 38.487 -0.443 0.000 0.969 466 N HN 0.174 nan 8.380 nan 0.000 0.454 467 G N 0.632 109.292 108.800 -0.234 0.000 2.503 467 G HA2 0.119 4.079 3.960 -0.001 0.000 0.257 467 G HA3 0.119 4.079 3.960 -0.001 0.000 0.257 467 G C -0.171 174.758 174.900 0.049 0.000 1.214 467 G CA -0.318 44.780 45.100 -0.004 0.000 0.839 467 G HN 0.143 nan 8.290 nan 0.000 0.559 468 Q N 0.530 120.344 119.800 0.023 0.000 2.340 468 Q HA 0.294 4.633 4.340 -0.001 0.000 0.249 468 Q C 0.595 176.481 176.000 -0.190 0.000 0.957 468 Q CA -0.449 55.274 55.803 -0.132 0.000 0.882 468 Q CB 0.853 29.549 28.738 -0.071 0.000 1.235 468 Q HN 0.526 nan 8.270 nan 0.000 0.439 469 I N 1.738 122.059 120.570 -0.414 0.000 2.499 469 I HA 0.090 4.259 4.170 -0.001 0.000 0.243 469 I C 0.271 176.490 176.117 0.169 0.000 1.085 469 I CA 0.205 61.310 61.300 -0.324 0.000 1.422 469 I CB 0.030 37.732 38.000 -0.496 0.000 1.165 469 I HN 0.663 nan 8.210 nan 0.000 0.440 470 W N 0.302 121.611 121.300 0.015 0.000 2.799 470 W HA 0.727 5.387 4.660 -0.001 0.000 0.349 470 W C -1.451 175.183 176.519 0.191 0.000 1.100 470 W CA -0.918 56.494 57.345 0.111 0.000 1.174 470 W CB 0.633 30.091 29.460 -0.004 0.000 1.427 470 W HN -0.241 nan 8.180 nan 0.000 0.547 471 D N 0.964 121.628 120.400 0.440 0.000 2.857 471 D HA 0.212 4.852 4.640 -0.001 0.000 0.227 471 D C -1.462 174.986 176.300 0.247 0.000 1.192 471 D CA -0.817 53.431 54.000 0.414 0.000 0.857 471 D CB 2.117 43.153 40.800 0.393 0.000 1.645 471 D HN 0.499 nan 8.370 nan 0.000 0.482 472 K N 2.384 122.801 120.400 0.029 0.000 2.322 472 K HA 0.209 4.529 4.320 -0.001 0.000 0.283 472 K C -0.063 176.615 176.600 0.130 0.000 1.042 472 K CA -0.412 55.757 56.287 -0.196 0.000 0.958 472 K CB 0.838 32.815 32.500 -0.872 0.000 0.984 472 K HN 0.387 nan 8.250 nan 0.000 0.473 473 E N 3.349 123.608 120.200 0.099 0.000 2.418 473 E HA -0.002 4.348 4.350 -0.001 0.000 0.261 473 E C -0.911 175.922 176.600 0.388 0.000 1.070 473 E CA -0.123 56.398 56.400 0.201 0.000 0.931 473 E CB 0.331 30.082 29.700 0.085 0.000 0.954 473 E HN 0.307 nan 8.360 nan 0.000 0.439 474 F N 2.107 122.178 119.950 0.202 0.000 2.484 474 F HA 0.092 4.618 4.527 -0.001 0.000 0.360 474 F C 0.958 176.802 175.800 0.074 0.000 1.101 474 F CA -0.532 57.533 58.000 0.110 0.000 1.251 474 F CB 0.508 39.553 39.000 0.074 0.000 1.132 474 F HN 0.485 nan 8.300 nan 0.000 0.570 475 D N 1.745 122.273 120.400 0.213 0.000 3.134 475 D HA 0.071 4.710 4.640 -0.001 0.000 0.248 475 D C -0.021 176.338 176.300 0.100 0.000 1.273 475 D CA -0.045 54.029 54.000 0.125 0.000 0.904 475 D CB -0.223 40.622 40.800 0.075 0.000 1.089 475 D HN 0.478 nan 8.370 nan 0.000 0.478 476 T N -2.836 111.802 114.554 0.140 0.000 2.943 476 T HA 0.260 4.610 4.350 -0.001 0.000 0.284 476 T C 1.063 175.815 174.700 0.087 0.000 1.015 476 T CA -0.875 61.286 62.100 0.102 0.000 1.042 476 T CB 1.722 70.671 68.868 0.136 0.000 1.055 476 T HN -0.188 nan 8.240 nan 0.000 0.500 477 D N 0.602 121.039 120.400 0.061 0.000 2.104 477 D HA -0.020 4.619 4.640 -0.001 0.000 0.194 477 D C 0.652 176.986 176.300 0.056 0.000 0.994 477 D CA 1.287 55.318 54.000 0.051 0.000 0.830 477 D CB -0.097 40.725 40.800 0.037 0.000 0.959 477 D HN 0.497 nan 8.370 nan 0.000 0.452 478 L N 1.571 122.831 121.223 0.062 0.000 2.296 478 L HA 0.310 4.649 4.340 -0.001 0.000 0.286 478 L C 0.394 177.312 176.870 0.080 0.000 1.023 478 L CA -0.797 54.079 54.840 0.061 0.000 0.812 478 L CB 1.530 43.620 42.059 0.053 0.000 1.223 478 L HN -0.237 nan 8.230 nan 0.000 0.421 479 K N 3.107 123.552 120.400 0.074 0.000 2.106 479 K HA 0.597 4.917 4.320 -0.001 0.000 0.246 479 K C -2.348 174.280 176.600 0.047 0.000 0.987 479 K CA -1.688 54.648 56.287 0.080 0.000 0.904 479 K CB 0.836 33.383 32.500 0.079 0.000 1.071 479 K HN 0.357 nan 8.250 nan 0.000 0.453 480 P HA 0.262 nan 4.420 nan 0.000 0.275 480 P C -0.038 177.271 177.300 0.014 0.000 1.228 480 P CA -0.367 62.724 63.100 -0.015 0.000 0.786 480 P CB 0.827 32.461 31.700 -0.111 0.000 0.927 481 R N 0.615 121.122 120.500 0.011 0.000 2.237 481 R HA 0.093 4.432 4.340 -0.001 0.000 0.219 481 R C 0.916 177.236 176.300 0.034 0.000 1.080 481 R CA 0.744 56.859 56.100 0.026 0.000 0.995 481 R CB -0.510 29.809 30.300 0.031 0.000 0.875 481 R HN 0.550 nan 8.270 nan 0.000 0.462 482 L N -4.966 116.284 121.223 0.046 0.000 2.940 482 L HA 0.447 4.787 4.340 -0.001 0.000 0.270 482 L C -1.390 175.578 176.870 0.163 0.000 1.030 482 L CA -1.145 53.742 54.840 0.078 0.000 0.928 482 L CB 1.950 44.045 42.059 0.060 0.000 1.506 482 L HN -0.155 nan 8.230 nan 0.000 0.405 483 H N 0.474 119.511 119.070 -0.055 0.000 2.492 483 H HA 0.443 4.998 4.556 -0.001 0.000 0.345 483 H C 0.003 175.326 175.328 -0.008 0.000 1.136 483 H CA -0.772 55.234 56.048 -0.069 0.000 1.202 483 H CB 2.955 32.687 29.762 -0.051 0.000 1.524 483 H HN 0.577 nan 8.280 nan 0.000 0.506 484 I N 2.196 122.817 120.570 0.085 0.000 3.059 484 I HA -0.166 4.003 4.170 -0.001 0.000 0.270 484 I C 1.756 177.929 176.117 0.093 0.000 1.238 484 I CA 1.028 62.372 61.300 0.074 0.000 1.478 484 I CB -0.349 37.673 38.000 0.038 0.000 1.097 484 I HN 0.665 nan 8.210 nan 0.000 0.455 485 N N 0.020 118.790 118.700 0.116 0.000 2.405 485 N HA 0.248 4.988 4.740 -0.001 0.000 0.175 485 N C 0.575 176.172 175.510 0.145 0.000 1.051 485 N CA 0.412 53.537 53.050 0.126 0.000 0.899 485 N CB 0.313 38.871 38.487 0.119 0.000 1.000 485 N HN 0.105 nan 8.380 nan 0.000 0.451 486 A N 0.492 123.405 122.820 0.155 0.000 2.572 486 A HA 0.448 4.768 4.320 -0.001 0.000 0.295 486 A C -2.310 175.324 177.584 0.082 0.000 1.072 486 A CA -1.359 50.758 52.037 0.133 0.000 0.691 486 A CB 1.458 20.543 19.000 0.142 0.000 1.291 486 A HN 0.001 nan 8.150 nan 0.000 0.404 487 P HA 0.146 nan 4.420 nan 0.000 0.240 487 P C -0.393 176.737 177.300 -0.284 0.000 1.190 487 P CA 0.705 63.689 63.100 -0.193 0.000 0.781 487 P CB 0.065 31.565 31.700 -0.333 0.000 0.931 488 F N 0.239 120.278 119.950 0.149 0.000 2.403 488 F HA 0.279 4.805 4.527 -0.001 0.000 0.355 488 F C 0.189 176.043 175.800 0.090 0.000 1.119 488 F CA -1.320 56.745 58.000 0.108 0.000 1.007 488 F CB 1.730 40.788 39.000 0.097 0.000 1.194 488 F HN -0.410 nan 8.300 nan 0.000 0.443 489 V N 3.304 123.329 119.914 0.184 0.000 2.275 489 V HA 0.136 4.255 4.120 -0.001 0.000 0.272 489 V C -0.158 175.988 176.094 0.088 0.000 1.028 489 V CA -1.132 61.179 62.300 0.019 0.000 0.810 489 V CB 0.457 32.082 31.823 -0.329 0.000 1.043 489 V HN 0.933 nan 8.190 nan 0.000 0.453 490 c N 3.500 122.209 118.600 0.182 0.000 2.638 490 c HA 0.226 4.795 4.570 -0.001 0.000 0.410 490 c C 1.456 175.606 174.090 0.099 0.000 1.404 490 c CA -0.366 56.080 56.329 0.194 0.000 1.651 490 c CB -0.130 42.544 42.510 0.274 0.000 2.495 490 c HN 0.859 nan 8.230 nan 0.000 0.606 491 Q N 2.406 122.258 119.800 0.085 0.000 1.962 491 Q HA -0.043 4.296 4.340 -0.001 0.000 0.204 491 Q C 1.950 177.985 176.000 0.057 0.000 0.979 491 Q CA 1.244 57.080 55.803 0.055 0.000 0.847 491 Q CB -0.344 28.423 28.738 0.048 0.000 0.906 491 Q HN 0.833 nan 8.270 nan 0.000 0.458 492 N N 1.779 120.513 118.700 0.056 0.000 2.348 492 N HA -0.086 4.653 4.740 -0.001 0.000 0.185 492 N C -0.105 175.441 175.510 0.061 0.000 1.019 492 N CA 0.860 53.938 53.050 0.046 0.000 0.880 492 N CB -0.027 38.475 38.487 0.026 0.000 0.965 492 N HN 0.489 nan 8.380 nan 0.000 0.437 493 N N -1.573 117.191 118.700 0.107 0.000 2.928 493 N HA 0.172 4.912 4.740 -0.001 0.000 0.247 493 N C -1.728 173.954 175.510 0.287 0.000 1.141 493 N CA -0.621 52.539 53.050 0.182 0.000 0.977 493 N CB 1.001 39.610 38.487 0.203 0.000 1.663 493 N HN -0.184 nan 8.380 nan 0.000 0.509 494 c N 0.258 118.857 118.600 -0.002 0.000 2.994 494 c HA 0.612 5.181 4.570 -0.001 0.000 0.304 494 c C -2.483 170.920 174.090 -1.144 0.000 1.273 494 c CA -1.069 54.931 56.329 -0.548 0.000 1.537 494 c CB 1.815 44.162 42.510 -0.272 0.000 2.001 494 c HN 0.603 nan 8.230 nan 0.000 0.471 495 P HA 0.216 nan 4.420 nan 0.000 0.266 495 P C 0.160 177.282 177.300 -0.297 0.000 1.195 495 P CA 0.750 63.209 63.100 -1.069 0.000 0.768 495 P CB 0.365 31.705 31.700 -0.601 0.000 0.838 496 G N 2.224 110.943 108.800 -0.134 0.000 2.599 496 G HA2 0.181 4.140 3.960 -0.001 0.000 0.264 496 G HA3 0.181 4.140 3.960 -0.001 0.000 0.264 496 G C -0.608 174.300 174.900 0.013 0.000 1.200 496 G CA -0.542 44.548 45.100 -0.017 0.000 0.896 496 G HN 0.449 nan 8.290 nan 0.000 0.536 497 Q N -0.805 118.958 119.800 -0.061 0.000 2.293 497 Q HA 0.325 4.664 4.340 -0.001 0.000 0.251 497 Q C -0.948 174.662 176.000 -0.650 0.000 0.930 497 Q CA -0.613 54.986 55.803 -0.339 0.000 0.893 497 Q CB 2.181 30.622 28.738 -0.495 0.000 1.215 497 Q HN 0.288 nan 8.270 nan 0.000 0.425 498 L N 3.039 123.885 121.223 -0.627 0.000 2.265 498 L HA 0.412 4.751 4.340 -0.001 0.000 0.289 498 L C -1.583 174.874 176.870 -0.689 0.000 1.033 498 L CA -0.059 54.501 54.840 -0.467 0.000 0.814 498 L CB 0.271 42.286 42.059 -0.072 0.000 1.203 498 L HN 0.395 nan 8.230 nan 0.000 0.423 499 F N 4.464 124.342 119.950 -0.121 0.000 2.443 499 F HA 0.663 5.189 4.527 -0.001 0.000 0.335 499 F C 0.161 176.073 175.800 0.188 0.000 1.104 499 F CA -0.729 57.248 58.000 -0.038 0.000 1.013 499 F CB 1.742 40.560 39.000 -0.303 0.000 1.136 499 F HN 0.121 nan 8.300 nan 0.000 0.470 500 V N 2.955 123.141 119.914 0.454 0.000 2.914 500 V HA 0.727 4.847 4.120 -0.001 0.000 0.314 500 V C -0.930 175.293 176.094 0.214 0.000 1.084 500 V CA -0.868 61.600 62.300 0.280 0.000 0.963 500 V CB 2.464 34.358 31.823 0.119 0.000 1.025 500 V HN 0.800 nan 8.190 nan 0.000 0.432 501 K N 2.680 123.045 120.400 -0.057 0.000 2.583 501 K HA 0.493 4.812 4.320 -0.001 0.000 0.260 501 K C -2.036 174.411 176.600 -0.256 0.000 0.931 501 K CA -0.620 55.487 56.287 -0.300 0.000 0.849 501 K CB 2.022 33.957 32.500 -0.941 0.000 1.347 501 K HN 0.370 nan 8.250 nan 0.000 0.425 502 V N 3.093 122.895 119.914 -0.186 0.000 2.508 502 V HA 0.337 4.457 4.120 -0.001 0.000 0.281 502 V C 0.612 176.601 176.094 -0.175 0.000 1.041 502 V CA 0.008 62.228 62.300 -0.134 0.000 1.016 502 V CB 0.682 32.458 31.823 -0.079 0.000 0.984 502 V HN 0.846 nan 8.190 nan 0.000 0.478 503 A N 8.632 131.366 122.820 -0.142 0.000 2.425 503 A HA 0.517 4.837 4.320 -0.001 0.000 0.249 503 A C -1.792 175.729 177.584 -0.106 0.000 1.084 503 A CA -1.326 50.631 52.037 -0.134 0.000 0.781 503 A CB -0.189 18.756 19.000 -0.091 0.000 1.019 503 A HN 0.744 nan 8.150 nan 0.000 0.490 504 P HA -0.068 nan 4.420 nan 0.000 0.255 504 P C -0.768 176.482 177.300 -0.083 0.000 1.173 504 P CA 0.207 63.250 63.100 -0.095 0.000 0.780 504 P CB 0.092 31.727 31.700 -0.109 0.000 0.758 505 N N 4.657 123.321 118.700 -0.060 0.000 2.918 505 N HA 0.162 4.901 4.740 -0.001 0.000 0.247 505 N C 0.116 175.601 175.510 -0.041 0.000 1.117 505 N CA -0.285 52.738 53.050 -0.045 0.000 1.005 505 N CB -0.302 38.170 38.487 -0.025 0.000 1.297 505 N HN 0.327 nan 8.380 nan 0.000 0.513 506 L N 0.637 121.820 121.223 -0.068 0.000 2.476 506 L HA 0.239 4.579 4.340 -0.001 0.000 0.264 506 L C 1.543 178.402 176.870 -0.017 0.000 1.224 506 L CA -0.315 54.489 54.840 -0.060 0.000 0.821 506 L CB 0.270 42.240 42.059 -0.148 0.000 1.101 506 L HN 0.382 nan 8.230 nan 0.000 0.488 507 T N -2.788 111.776 114.554 0.018 0.000 2.893 507 T HA 0.129 4.478 4.350 -0.001 0.000 0.279 507 T C 1.037 175.762 174.700 0.042 0.000 0.991 507 T CA -0.530 61.588 62.100 0.029 0.000 0.950 507 T CB 0.878 69.768 68.868 0.038 0.000 1.223 507 T HN 0.714 nan 8.240 nan 0.000 0.585 508 N N -0.076 118.646 118.700 0.038 0.000 2.453 508 N HA -0.132 4.607 4.740 -0.001 0.000 0.183 508 N C 0.110 175.659 175.510 0.065 0.000 1.041 508 N CA 0.551 53.627 53.050 0.043 0.000 0.900 508 N CB -0.293 38.212 38.487 0.030 0.000 0.961 508 N HN 0.732 nan 8.380 nan 0.000 0.443 509 Q N -0.040 119.805 119.800 0.074 0.000 2.398 509 Q HA 0.294 4.634 4.340 -0.001 0.000 0.251 509 Q C -1.736 174.353 176.000 0.148 0.000 0.999 509 Q CA -0.469 55.383 55.803 0.081 0.000 0.874 509 Q CB 1.113 29.879 28.738 0.046 0.000 1.215 509 Q HN 0.340 nan 8.270 nan 0.000 0.470 510 Y N 1.834 122.136 120.300 0.003 0.000 2.362 510 Y HA 0.279 4.828 4.550 -0.001 0.000 0.326 510 Y C -1.878 174.025 175.900 0.005 0.000 1.083 510 Y CA -1.073 57.030 58.100 0.004 0.000 1.073 510 Y CB 1.617 40.079 38.460 0.005 0.000 1.211 510 Y HN 0.547 nan 8.280 nan 0.000 0.433 511 D N 8.126 128.166 120.400 -0.600 0.000 2.440 511 D HA 0.450 5.090 4.640 -0.001 0.000 0.252 511 D C -2.273 173.678 176.300 -0.581 0.000 1.180 511 D CA -2.378 51.358 54.000 -0.440 0.000 0.894 511 D CB 2.278 42.954 40.800 -0.206 0.000 1.111 511 D HN 0.292 nan 8.370 nan 0.000 0.544 512 P HA -0.090 nan 4.420 nan 0.000 0.216 512 P C -0.183 177.026 177.300 -0.152 0.000 1.153 512 P CA 0.901 63.840 63.100 -0.270 0.000 0.858 512 P CB 0.193 31.879 31.700 -0.023 0.000 0.789 513 D N -0.023 120.307 120.400 -0.117 0.000 2.982 513 D HA 0.312 4.952 4.640 -0.001 0.000 0.238 513 D C 0.121 176.373 176.300 -0.080 0.000 1.168 513 D CA 0.377 54.335 54.000 -0.071 0.000 0.947 513 D CB -0.391 40.381 40.800 -0.045 0.000 1.147 513 D HN 0.093 nan 8.370 nan 0.000 0.450 514 A N 0.568 123.329 122.820 -0.099 0.000 2.330 514 A HA 0.239 4.558 4.320 -0.001 0.000 0.303 514 A C 1.280 178.814 177.584 -0.083 0.000 1.150 514 A CA -0.327 51.659 52.037 -0.085 0.000 0.921 514 A CB 0.114 19.057 19.000 -0.095 0.000 1.462 514 A HN 0.077 nan 8.150 nan 0.000 0.388 515 S N 1.889 117.558 115.700 -0.052 0.000 2.457 515 S HA -0.226 4.243 4.470 -0.001 0.000 0.269 515 S C 2.107 176.684 174.600 -0.038 0.000 1.139 515 S CA 2.586 60.764 58.200 -0.036 0.000 1.176 515 S CB -1.259 61.926 63.200 -0.025 0.000 1.088 515 S HN 2.675 nan 8.310 nan 0.000 0.443 516 A N 2.377 125.172 122.820 -0.041 0.000 5.151 516 A HA -0.368 3.951 4.320 -0.001 0.000 0.371 516 A C 1.354 178.927 177.584 -0.018 0.000 1.512 516 A CA 2.341 54.358 52.037 -0.034 0.000 0.732 516 A CB -1.548 17.422 19.000 -0.051 0.000 1.538 516 A HN 1.018 nan 8.150 nan 0.000 0.429 517 N N -2.123 116.572 118.700 -0.008 0.000 3.514 517 N HA 0.051 4.790 4.740 -0.001 0.000 0.141 517 N C -0.053 175.485 175.510 0.046 0.000 1.024 517 N CA 0.869 53.928 53.050 0.015 0.000 2.902 517 N CB -0.829 37.662 38.487 0.007 0.000 1.202 517 N HN 1.581 nan 8.380 nan 0.000 0.789 518 M N 0.678 120.316 119.600 0.064 0.000 4.007 518 M HA -0.211 4.269 4.480 -0.001 0.000 0.157 518 M C -0.409 175.968 176.300 0.128 0.000 1.527 518 M CA 0.485 55.887 55.300 0.170 0.000 1.085 518 M CB -1.556 31.262 32.600 0.364 0.000 1.344 518 M HN 0.222 nan 8.290 nan 0.000 0.235 519 S N 4.053 119.814 115.700 0.101 0.000 2.533 519 S HA 0.601 5.070 4.470 -0.001 0.000 0.282 519 S C 0.143 174.787 174.600 0.073 0.000 1.304 519 S CA -0.135 58.105 58.200 0.066 0.000 1.063 519 S CB 0.928 64.157 63.200 0.048 0.000 0.881 519 S HN 0.957 nan 8.310 nan 0.000 0.493 520 R N 2.105 122.630 120.500 0.042 0.000 2.725 520 R HA 0.546 4.885 4.340 -0.001 0.000 0.277 520 R C -0.964 175.347 176.300 0.018 0.000 0.987 520 R CA -1.037 55.077 56.100 0.024 0.000 0.901 520 R CB 0.799 31.104 30.300 0.007 0.000 1.207 520 R HN 0.599 nan 8.270 nan 0.000 0.463 521 I N 2.093 122.671 120.570 0.014 0.000 2.752 521 I HA -0.080 4.089 4.170 -0.001 0.000 0.289 521 I C 0.456 176.591 176.117 0.030 0.000 1.197 521 I CA -0.104 61.208 61.300 0.020 0.000 1.432 521 I CB 0.807 38.817 38.000 0.016 0.000 1.359 521 I HN 0.326 nan 8.210 nan 0.000 0.571 522 V N 6.902 126.842 119.914 0.044 0.000 2.409 522 V HA 0.019 4.138 4.120 -0.001 0.000 0.270 522 V C 0.436 176.599 176.094 0.116 0.000 1.019 522 V CA 0.602 62.944 62.300 0.069 0.000 1.066 522 V CB -0.178 31.686 31.823 0.068 0.000 1.021 522 V HN 0.762 nan 8.190 nan 0.000 0.476 523 T N 6.052 120.670 114.554 0.107 0.000 2.863 523 T HA 0.707 5.057 4.350 -0.001 0.000 0.285 523 T C -0.761 174.046 174.700 0.178 0.000 1.009 523 T CA -0.342 61.828 62.100 0.117 0.000 0.989 523 T CB 1.464 70.349 68.868 0.028 0.000 1.004 523 T HN 0.627 nan 8.240 nan 0.000 0.455 524 Y N -0.502 119.793 120.300 -0.009 0.000 2.609 524 Y HA 0.857 5.407 4.550 -0.001 0.000 0.342 524 Y C -0.454 175.403 175.900 -0.072 0.000 1.058 524 Y CA -1.176 56.884 58.100 -0.066 0.000 1.055 524 Y CB 1.540 39.957 38.460 -0.072 0.000 1.292 524 Y HN 0.582 nan 8.280 nan 0.000 0.476 525 S N 0.794 116.430 115.700 -0.107 0.000 2.570 525 S HA 0.584 5.054 4.470 -0.001 0.000 0.286 525 S C -2.046 172.491 174.600 -0.106 0.000 1.099 525 S CA -0.619 57.507 58.200 -0.124 0.000 0.913 525 S CB 1.512 64.727 63.200 0.024 0.000 1.085 525 S HN 0.733 nan 8.310 nan 0.000 0.480 526 D N 2.542 122.907 120.400 -0.059 0.000 2.757 526 D HA 0.591 5.230 4.640 -0.001 0.000 0.249 526 D C -1.051 175.241 176.300 -0.012 0.000 1.168 526 D CA -0.026 53.904 54.000 -0.117 0.000 0.870 526 D CB 1.474 42.222 40.800 -0.087 0.000 1.411 526 D HN 0.491 nan 8.370 nan 0.000 0.525 527 F N -1.054 118.794 119.950 -0.170 0.000 2.643 527 F HA 0.763 5.290 4.527 -0.001 0.000 0.314 527 F C -1.566 174.073 175.800 -0.269 0.000 1.096 527 F CA -1.350 56.577 58.000 -0.121 0.000 0.953 527 F CB 0.996 39.983 39.000 -0.022 0.000 1.345 527 F HN 0.073 nan 8.300 nan 0.000 0.468 528 W N 1.614 122.859 121.300 -0.092 0.000 2.469 528 W HA 0.502 5.161 4.660 -0.001 0.000 0.320 528 W C -1.287 175.160 176.519 -0.119 0.000 1.086 528 W CA -0.509 56.642 57.345 -0.323 0.000 1.211 528 W CB 1.442 30.336 29.460 -0.943 0.000 1.298 528 W HN 0.731 nan 8.180 nan 0.000 0.525 529 W N 4.925 126.311 121.300 0.144 0.000 2.606 529 W HA 0.596 5.255 4.660 -0.001 0.000 0.332 529 W C -1.078 175.601 176.519 0.266 0.000 1.052 529 W CA -1.431 56.059 57.345 0.242 0.000 1.223 529 W CB 1.162 30.751 29.460 0.215 0.000 1.383 529 W HN 0.243 nan 8.180 nan 0.000 0.524 530 K N 4.340 124.336 120.400 -0.672 0.000 2.507 530 K HA 0.678 4.997 4.320 -0.001 0.000 0.251 530 K C -0.631 175.253 176.600 -1.193 0.000 0.943 530 K CA -0.691 55.181 56.287 -0.692 0.000 0.794 530 K CB 1.454 33.922 32.500 -0.053 0.000 1.188 530 K HN 0.704 nan 8.250 nan 0.000 0.428 531 G N 2.390 110.510 108.800 -1.132 0.000 2.533 531 G HA2 0.495 4.454 3.960 -0.001 0.000 0.304 531 G HA3 0.495 4.454 3.960 -0.001 0.000 0.304 531 G C -1.673 173.378 174.900 0.252 0.000 1.263 531 G CA -0.602 44.291 45.100 -0.345 0.000 0.964 531 G HN 0.459 nan 8.290 nan 0.000 0.479 532 K N 0.804 121.339 120.400 0.226 0.000 2.578 532 K HA 0.514 4.833 4.320 -0.001 0.000 0.250 532 K C -1.877 174.693 176.600 -0.051 0.000 0.955 532 K CA -0.737 55.617 56.287 0.111 0.000 0.825 532 K CB 1.770 34.243 32.500 -0.045 0.000 1.151 532 K HN 0.302 nan 8.250 nan 0.000 0.432 533 L N 5.438 126.475 121.223 -0.310 0.000 2.319 533 L HA 0.420 4.760 4.340 -0.001 0.000 0.281 533 L C -1.406 175.239 176.870 -0.375 0.000 1.005 533 L CA -0.585 53.919 54.840 -0.560 0.000 0.828 533 L CB 1.733 42.966 42.059 -1.376 0.000 1.227 533 L HN 0.383 nan 8.230 nan 0.000 0.415 534 V N 5.954 125.653 119.914 -0.358 0.000 2.370 534 V HA 0.468 4.587 4.120 -0.001 0.000 0.279 534 V C -0.135 175.746 176.094 -0.354 0.000 1.029 534 V CA -0.325 61.844 62.300 -0.218 0.000 0.870 534 V CB 0.992 32.750 31.823 -0.108 0.000 0.984 534 V HN 0.500 nan 8.190 nan 0.000 0.451 535 F N 2.894 122.841 119.950 -0.005 0.000 2.557 535 F HA 0.678 5.204 4.527 -0.001 0.000 0.336 535 F C 0.261 176.102 175.800 0.067 0.000 1.058 535 F CA -0.905 57.118 58.000 0.040 0.000 0.988 535 F CB 1.703 40.773 39.000 0.117 0.000 1.275 535 F HN 0.254 nan 8.300 nan 0.000 0.488 536 K N 1.070 121.697 120.400 0.378 0.000 2.613 536 K HA 0.759 5.078 4.320 -0.001 0.000 0.248 536 K C -1.563 175.338 176.600 0.501 0.000 0.959 536 K CA -0.397 56.098 56.287 0.347 0.000 0.855 536 K CB 1.358 33.998 32.500 0.233 0.000 1.143 536 K HN 0.753 nan 8.250 nan 0.000 0.437 537 A N 3.021 126.063 122.820 0.370 0.000 2.288 537 A HA 0.707 5.026 4.320 -0.001 0.000 0.328 537 A C -1.254 176.348 177.584 0.029 0.000 1.123 537 A CA -0.644 51.536 52.037 0.239 0.000 0.861 537 A CB 1.320 20.373 19.000 0.087 0.000 1.272 537 A HN 0.552 nan 8.150 nan 0.000 0.490 538 K N 1.015 121.241 120.400 -0.289 0.000 2.413 538 K HA 0.566 4.886 4.320 -0.001 0.000 0.257 538 K C -1.317 175.069 176.600 -0.358 0.000 0.946 538 K CA -0.252 55.583 56.287 -0.754 0.000 0.823 538 K CB 0.611 32.465 32.500 -1.076 0.000 1.109 538 K HN 0.591 nan 8.250 nan 0.000 0.427 539 L N 5.240 126.298 121.223 -0.274 0.000 2.453 539 L HA 0.288 4.628 4.340 -0.001 0.000 0.272 539 L C 1.039 177.819 176.870 -0.151 0.000 1.182 539 L CA -0.250 54.505 54.840 -0.142 0.000 0.858 539 L CB 0.372 42.379 42.059 -0.087 0.000 1.120 539 L HN 0.689 nan 8.230 nan 0.000 0.474 540 R N 2.945 123.379 120.500 -0.111 0.000 2.577 540 R HA 0.762 5.101 4.340 -0.001 0.000 0.269 540 R C -0.731 175.523 176.300 -0.075 0.000 1.084 540 R CA -0.637 55.415 56.100 -0.079 0.000 1.163 540 R CB 0.930 31.189 30.300 -0.069 0.000 1.100 540 R HN 0.596 nan 8.270 nan 0.000 0.547 541 A N 1.204 124.001 122.820 -0.037 0.000 2.371 541 A HA 0.382 4.701 4.320 -0.001 0.000 0.311 541 A C -0.647 176.776 177.584 -0.268 0.000 1.068 541 A CA -0.776 51.172 52.037 -0.148 0.000 0.744 541 A CB 1.885 20.807 19.000 -0.131 0.000 1.239 541 A HN 0.761 nan 8.150 nan 0.000 0.435 542 S N 0.004 115.501 115.700 -0.339 0.000 2.565 542 S HA 0.419 4.888 4.470 -0.001 0.000 0.276 542 S C 0.199 174.473 174.600 -0.543 0.000 1.326 542 S CA 0.078 58.109 58.200 -0.281 0.000 1.045 542 S CB 0.069 63.150 63.200 -0.199 0.000 0.918 542 S HN 0.740 nan 8.310 nan 0.000 0.505 543 H N 0.745 119.804 119.070 -0.018 0.000 3.367 543 H HA 0.249 4.804 4.556 -0.001 0.000 0.257 543 H C 0.089 175.435 175.328 0.031 0.000 1.201 543 H CA 0.111 56.161 56.048 0.003 0.000 1.102 543 H CB 0.730 30.496 29.762 0.007 0.000 1.656 543 H HN 0.658 nan 8.280 nan 0.000 0.662 544 T N -3.605 111.009 114.554 0.100 0.000 2.930 544 T HA 0.020 4.370 4.350 -0.001 0.000 0.290 544 T C 0.525 175.295 174.700 0.116 0.000 1.052 544 T CA -0.966 61.210 62.100 0.126 0.000 1.017 544 T CB 1.865 70.802 68.868 0.116 0.000 1.137 544 T HN 0.275 nan 8.240 nan 0.000 0.511 545 W N 2.564 123.863 121.300 -0.002 0.000 2.409 545 W HA -0.014 4.645 4.660 -0.001 0.000 0.299 545 W C 0.442 176.949 176.519 -0.021 0.000 1.203 545 W CA 1.024 58.361 57.345 -0.013 0.000 1.298 545 W CB -0.416 29.039 29.460 -0.009 0.000 1.127 545 W HN 0.926 nan 8.180 nan 0.000 0.528 546 N N 1.278 120.143 118.700 0.275 0.000 2.482 546 N HA 0.171 4.911 4.740 -0.001 0.000 0.260 546 N C -2.451 173.078 175.510 0.032 0.000 1.236 546 N CA -0.812 52.335 53.050 0.161 0.000 0.938 546 N CB 0.038 38.605 38.487 0.133 0.000 1.128 546 N HN -0.175 nan 8.380 nan 0.000 0.448 547 P HA 0.286 nan 4.420 nan 0.000 0.296 547 P C -0.613 176.674 177.300 -0.021 0.000 1.295 547 P CA -0.235 62.846 63.100 -0.031 0.000 0.754 547 P CB 0.502 32.184 31.700 -0.031 0.000 1.311 548 I N -1.859 118.691 120.570 -0.033 0.000 2.918 548 I HA 0.148 4.317 4.170 -0.001 0.000 0.301 548 I C -0.453 175.641 176.117 -0.038 0.000 1.312 548 I CA -0.995 60.287 61.300 -0.030 0.000 1.007 548 I CB 2.231 40.211 38.000 -0.033 0.000 1.281 548 I HN 0.235 nan 8.210 nan 0.000 0.440 549 Q N 5.099 124.877 119.800 -0.036 0.000 2.247 549 Q HA 0.056 4.395 4.340 -0.001 0.000 0.288 549 Q C -1.393 174.571 176.000 -0.060 0.000 1.079 549 Q CA 0.415 56.188 55.803 -0.050 0.000 0.932 549 Q CB 0.627 29.317 28.738 -0.079 0.000 1.133 549 Q HN 0.307 nan 8.270 nan 0.000 0.377 550 Q N 3.802 123.569 119.800 -0.056 0.000 2.372 550 Q HA 0.271 4.610 4.340 -0.001 0.000 0.273 550 Q C -0.764 175.203 176.000 -0.056 0.000 1.078 550 Q CA -0.676 55.088 55.803 -0.066 0.000 0.806 550 Q CB 2.021 30.716 28.738 -0.070 0.000 1.332 550 Q HN 0.846 nan 8.270 nan 0.000 0.435 551 M N 1.535 121.096 119.600 -0.065 0.000 2.245 551 M HA 0.261 4.740 4.480 -0.001 0.000 0.344 551 M C -0.504 175.758 176.300 -0.064 0.000 1.170 551 M CA 0.690 55.960 55.300 -0.050 0.000 1.135 551 M CB 0.539 33.102 32.600 -0.061 0.000 1.574 551 M HN 0.575 nan 8.290 nan 0.000 0.452 552 S N 4.684 120.356 115.700 -0.046 0.000 2.558 552 S HA 0.403 4.872 4.470 -0.001 0.000 0.277 552 S C -1.123 173.458 174.600 -0.032 0.000 1.143 552 S CA -0.965 57.200 58.200 -0.058 0.000 0.865 552 S CB 1.020 64.192 63.200 -0.048 0.000 1.102 552 S HN 0.735 nan 8.310 nan 0.000 0.454 553 I N 4.030 124.563 120.570 -0.062 0.000 2.618 553 I HA 0.230 4.399 4.170 -0.001 0.000 0.284 553 I C 0.256 176.377 176.117 0.007 0.000 1.146 553 I CA 0.621 61.911 61.300 -0.016 0.000 1.425 553 I CB -0.159 37.797 38.000 -0.074 0.000 1.383 553 I HN 0.757 nan 8.210 nan 0.000 0.562 554 N N 4.227 122.952 118.700 0.041 0.000 2.619 554 N HA 0.354 5.093 4.740 -0.001 0.000 0.294 554 N C 0.728 176.239 175.510 0.002 0.000 1.279 554 N CA -0.897 52.164 53.050 0.018 0.000 0.867 554 N CB 1.485 39.989 38.487 0.029 0.000 1.329 554 N HN 0.254 nan 8.380 nan 0.000 0.557 555 V N 0.059 119.973 119.914 -0.000 0.000 3.380 555 V HA -0.062 4.057 4.120 -0.001 0.000 0.268 555 V C 0.437 176.542 176.094 0.019 0.000 1.168 555 V CA 1.257 63.553 62.300 -0.007 0.000 1.156 555 V CB -0.581 31.250 31.823 0.013 0.000 0.785 555 V HN 0.612 nan 8.190 nan 0.000 0.487 556 D N 1.167 121.585 120.400 0.030 0.000 2.259 556 D HA -0.040 4.599 4.640 -0.001 0.000 0.216 556 D C 1.833 178.161 176.300 0.048 0.000 0.961 556 D CA 1.368 55.398 54.000 0.049 0.000 0.878 556 D CB -0.079 40.746 40.800 0.043 0.000 1.009 556 D HN 0.700 nan 8.370 nan 0.000 0.490 557 N N 0.621 119.347 118.700 0.043 0.000 2.415 557 N HA -0.084 4.655 4.740 -0.001 0.000 0.176 557 N C 1.638 177.149 175.510 0.001 0.000 1.042 557 N CA 0.201 53.264 53.050 0.021 0.000 0.902 557 N CB -0.218 38.341 38.487 0.121 0.000 0.986 557 N HN 0.029 nan 8.380 nan 0.000 0.447 558 Q N 0.298 120.104 119.800 0.010 0.000 2.094 558 Q HA -0.269 4.071 4.340 -0.001 0.000 0.217 558 Q C 0.408 176.300 176.000 -0.181 0.000 1.046 558 Q CA 2.314 58.040 55.803 -0.128 0.000 0.911 558 Q CB -0.381 28.085 28.738 -0.453 0.000 1.038 558 Q HN 0.519 nan 8.270 nan 0.000 0.422 559 F N 0.125 120.106 119.950 0.051 0.000 2.795 559 F HA 0.083 4.610 4.527 -0.001 0.000 0.303 559 F C 1.317 177.097 175.800 -0.033 0.000 1.186 559 F CA 0.534 58.552 58.000 0.030 0.000 1.415 559 F CB -0.146 38.870 39.000 0.026 0.000 1.106 559 F HN 0.231 nan 8.300 nan 0.000 0.558 560 N N -1.600 117.050 118.700 -0.083 0.000 2.353 560 N HA -0.045 4.695 4.740 -0.001 0.000 0.185 560 N C 0.424 175.742 175.510 -0.319 0.000 1.098 560 N CA 0.265 53.161 53.050 -0.256 0.000 0.872 560 N CB 0.094 38.273 38.487 -0.513 0.000 0.970 560 N HN 0.246 nan 8.380 nan 0.000 0.467 561 Y N 0.108 120.492 120.300 0.140 0.000 2.467 561 Y HA 0.318 4.867 4.550 -0.001 0.000 0.250 561 Y C 0.084 176.083 175.900 0.165 0.000 1.155 561 Y CA -0.253 57.935 58.100 0.147 0.000 1.249 561 Y CB 0.552 39.067 38.460 0.090 0.000 1.146 561 Y HN -0.235 nan 8.280 nan 0.000 0.524 562 V N 1.598 121.681 119.914 0.281 0.000 2.962 562 V HA 0.447 4.566 4.120 -0.001 0.000 0.313 562 V C -2.222 174.006 176.094 0.224 0.000 1.099 562 V CA -2.200 60.247 62.300 0.245 0.000 0.971 562 V CB 2.430 34.389 31.823 0.227 0.000 1.028 562 V HN -0.157 nan 8.190 nan 0.000 0.430 563 P HA 0.250 nan 4.420 nan 0.000 0.274 563 P C -0.905 176.460 177.300 0.109 0.000 1.256 563 P CA -0.347 62.835 63.100 0.136 0.000 0.795 563 P CB 0.883 32.642 31.700 0.099 0.000 1.038 564 N N -0.017 118.724 118.700 0.068 0.000 2.643 564 N HA 0.093 4.833 4.740 -0.001 0.000 0.305 564 N C 1.056 176.574 175.510 0.014 0.000 1.283 564 N CA -0.825 52.243 53.050 0.030 0.000 0.946 564 N CB 0.261 38.748 38.487 0.001 0.000 1.149 564 N HN 0.292 nan 8.380 nan 0.000 0.600 565 N N 0.248 118.944 118.700 -0.007 0.000 2.519 565 N HA -0.129 4.610 4.740 -0.001 0.000 0.186 565 N C 1.101 176.608 175.510 -0.005 0.000 1.062 565 N CA 1.013 54.059 53.050 -0.007 0.000 0.910 565 N CB -0.281 38.195 38.487 -0.018 0.000 0.958 565 N HN 0.613 nan 8.380 nan 0.000 0.445 566 I N -0.901 119.667 120.570 -0.003 0.000 3.854 566 I HA 0.149 4.318 4.170 -0.001 0.000 0.312 566 I C 1.038 177.157 176.117 0.004 0.000 1.273 566 I CA 0.493 61.792 61.300 -0.002 0.000 1.298 566 I CB 0.138 38.135 38.000 -0.006 0.000 1.071 566 I HN 0.312 nan 8.210 nan 0.000 0.428 567 G N 1.780 110.588 108.800 0.013 0.000 2.134 567 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.209 567 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.209 567 G C 0.314 175.232 174.900 0.031 0.000 0.993 567 G CA -0.052 45.063 45.100 0.025 0.000 0.669 567 G HN 0.475 nan 8.290 nan 0.000 0.519 568 A N 0.350 123.183 122.820 0.023 0.000 2.388 568 A HA 0.825 5.144 4.320 -0.001 0.000 0.257 568 A C 0.485 178.091 177.584 0.037 0.000 1.095 568 A CA 0.399 52.445 52.037 0.015 0.000 0.791 568 A CB 0.429 19.439 19.000 0.015 0.000 1.029 568 A HN 0.433 nan 8.150 nan 0.000 0.489 569 M N 1.069 120.670 119.600 0.002 0.000 2.727 569 M HA 0.589 5.068 4.480 -0.001 0.000 0.300 569 M C -0.402 175.979 176.300 0.136 0.000 1.246 569 M CA -0.444 54.885 55.300 0.048 0.000 0.835 569 M CB 2.172 34.675 32.600 -0.161 0.000 1.755 569 M HN 0.900 nan 8.290 nan 0.000 0.473 570 K N 0.187 120.745 120.400 0.263 0.000 2.587 570 K HA 0.676 4.995 4.320 -0.001 0.000 0.276 570 K C -1.985 174.804 176.600 0.315 0.000 0.956 570 K CA -0.706 55.757 56.287 0.294 0.000 0.857 570 K CB 1.526 34.139 32.500 0.188 0.000 1.431 570 K HN 0.625 nan 8.250 nan 0.000 0.420 571 I N 2.795 123.538 120.570 0.287 0.000 2.437 571 I HA 0.193 4.362 4.170 -0.001 0.000 0.279 571 I C -0.528 175.670 176.117 0.136 0.000 1.028 571 I CA -1.270 60.157 61.300 0.213 0.000 1.142 571 I CB 1.912 40.004 38.000 0.152 0.000 1.266 571 I HN 0.368 nan 8.210 nan 0.000 0.461 572 V N 6.302 126.273 119.914 0.095 0.000 2.637 572 V HA -0.024 4.095 4.120 -0.001 0.000 0.296 572 V C -0.057 176.034 176.094 -0.005 0.000 1.046 572 V CA -0.323 62.002 62.300 0.041 0.000 1.066 572 V CB 0.238 32.025 31.823 -0.060 0.000 0.968 572 V HN 0.563 nan 8.190 nan 0.000 0.483 573 Y N 3.859 124.002 120.300 -0.261 0.000 2.457 573 Y HA 0.506 5.055 4.550 -0.001 0.000 0.341 573 Y C 0.097 175.939 175.900 -0.097 0.000 1.240 573 Y CA -0.509 57.368 58.100 -0.371 0.000 1.437 573 Y CB 0.342 38.145 38.460 -1.094 0.000 1.328 573 Y HN 0.641 nan 8.280 nan 0.000 0.588 574 E N 2.232 122.391 120.200 -0.068 0.000 2.359 574 E HA 0.378 4.727 4.350 -0.001 0.000 0.266 574 E C -0.953 175.803 176.600 0.260 0.000 0.920 574 E CA -1.362 55.016 56.400 -0.038 0.000 0.788 574 E CB 1.776 31.548 29.700 0.121 0.000 1.279 574 E HN 0.519 nan 8.360 nan 0.000 0.438 575 K N 0.585 121.147 120.400 0.270 0.000 2.087 575 K HA 0.334 4.653 4.320 -0.001 0.000 0.255 575 K C 0.912 177.776 176.600 0.439 0.000 0.988 575 K CA -0.249 56.319 56.287 0.468 0.000 0.915 575 K CB 1.311 34.026 32.500 0.359 0.000 1.043 575 K HN 0.642 nan 8.250 nan 0.000 0.457 576 S N 0.377 116.336 115.700 0.433 0.000 2.748 576 S HA -0.030 4.439 4.470 -0.001 0.000 0.241 576 S C 0.699 175.376 174.600 0.128 0.000 1.064 576 S CA -0.264 58.090 58.200 0.257 0.000 0.892 576 S CB -0.101 63.248 63.200 0.248 0.000 0.810 576 S HN 0.542 nan 8.310 nan 0.000 0.555 577 Q N 2.727 122.655 119.800 0.212 0.000 2.639 577 Q HA 0.327 4.667 4.340 -0.001 0.000 0.301 577 Q C -0.747 175.387 176.000 0.223 0.000 1.029 577 Q CA -0.273 55.641 55.803 0.185 0.000 0.936 577 Q CB -0.666 28.214 28.738 0.236 0.000 1.354 577 Q HN 0.644 nan 8.270 nan 0.000 0.417 578 L N -0.970 120.300 121.223 0.077 0.000 2.325 578 L HA 0.717 5.057 4.340 -0.001 0.000 0.284 578 L C -0.050 176.824 176.870 0.006 0.000 1.089 578 L CA -0.546 54.244 54.840 -0.083 0.000 0.836 578 L CB 0.269 42.242 42.059 -0.144 0.000 1.184 578 L HN 0.112 nan 8.230 nan 0.000 0.444 579 A N 4.086 126.954 122.820 0.079 0.000 0.939 579 A HA 0.297 4.617 4.320 -0.001 0.000 0.230 579 A C -2.963 174.468 177.584 -0.254 0.000 0.610 579 A CA -0.966 51.045 52.037 -0.045 0.000 0.446 579 A CB -0.418 18.551 19.000 -0.052 0.000 0.919 579 A HN 0.553 nan 8.150 nan 0.000 0.336 580 P HA 0.560 nan 4.420 nan 0.000 0.274 580 P C -0.403 176.812 177.300 -0.142 0.000 1.246 580 P CA -0.066 62.837 63.100 -0.328 0.000 0.795 580 P CB 0.955 32.659 31.700 0.006 0.000 1.006 581 R N 0.416 120.857 120.500 -0.098 0.000 2.548 581 R HA 0.372 4.711 4.340 -0.001 0.000 0.280 581 R C -0.733 175.528 176.300 -0.065 0.000 1.061 581 R CA -1.004 55.059 56.100 -0.061 0.000 0.915 581 R CB 1.477 31.731 30.300 -0.077 0.000 1.210 581 R HN 0.340 nan 8.270 nan 0.000 0.442 582 K N 4.051 124.424 120.400 -0.044 0.000 2.412 582 K HA 0.046 4.366 4.320 -0.001 0.000 0.281 582 K C -0.106 176.425 176.600 -0.115 0.000 1.027 582 K CA -0.232 56.007 56.287 -0.080 0.000 0.989 582 K CB 0.930 33.407 32.500 -0.038 0.000 0.935 582 K HN 0.768 nan 8.250 nan 0.000 0.475 583 L N 4.443 125.562 121.223 -0.173 0.000 2.253 583 L HA 0.188 4.528 4.340 -0.001 0.000 0.205 583 L C -0.225 176.663 176.870 0.030 0.000 1.078 583 L CA 0.364 55.146 54.840 -0.097 0.000 0.805 583 L CB 0.176 42.139 42.059 -0.159 0.000 0.963 583 L HN 0.842 nan 8.230 nan 0.000 0.459 584 Y N 0.000 120.213 120.300 -0.146 0.000 2.660 584 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 584 Y CA 0.000 58.044 58.100 -0.094 0.000 1.940 584 Y CB 0.000 38.407 38.460 -0.088 0.000 1.050 584 Y HN 0.000 nan 8.280 nan 0.000 0.758