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 2jlg_1_A DATA FIRST_RESID 1 DATA SEQUENCE PRRAPAFPLS DIKAQMLFAN NIKAQQASKR SFKEGAIETY EGLLSVDPRF DATA SEQUENCE LSFKNELSRY LTDHFPANVD EYGRVYGNGV RTNFFGMRHM NGFPMIPATW DATA SEQUENCE PLASNLKKRA DADLADGPVS ERDNLLFRAA VRLMFSDLEP VPLKIRKGSS DATA SEQUENCE TCIPYFSNDM GTKIEIAERA LEKAEEAGNL MLQGKFDDAY QLHQMGGAYY DATA SEQUENCE VVYRAQSTDA ITLDPKTGKF VSKDRMVADF EYAVTGGEQG SLFAASKDAS DATA SEQUENCE RLKEQYGIDV PDGFFCERRR TAMGGPFALN APIMAVAQPV RNKIYSKYAY DATA SEQUENCE TFHHTTRLNK EEKVKEWSLC VATDVSDHDT FWPGWLRDLI CDELLNMGYA DATA SEQUENCE PWWVKLFETS LKLPVYVGAP APEQGHTLLG DPSNPDLEVG LSSGQGATDL DATA SEQUENCE MGTLLMSITY LVMQLDHTAP HLNSRIKDMP SACRFLDSYW QGHEEIRQIS DATA SEQUENCE KSDDAMLGWT KGRALVGGHR LFEMLKEGKV NPSPYMKISY QHGGAFLGDI DATA SEQUENCE LLYDSRREPG SAIFVGNINS MLNNQFSPEY GVQSGVRDRS KRKRPFPGLA DATA SEQUENCE WASMKDTYGA CPIYSDVLEA IERCWWNAFG ESYRAYREDM LKRDTLELSR DATA SEQUENCE YVASMARQAG LAELTPIDLE VLADPNKLQY KWTEADVSAN IHEVLMHGVS DATA SEQUENCE VEKTERFLRS VMPR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.274 177.300 -0.044 0.000 1.155 1 P CA 0.000 63.078 63.100 -0.037 0.000 0.800 1 P CB 0.000 31.677 31.700 -0.038 0.000 0.726 2 R N 1.705 122.185 120.500 -0.033 0.000 3.958 2 R HA -0.130 4.210 4.340 -0.001 0.000 0.186 2 R C 0.843 177.112 176.300 -0.052 0.000 0.520 2 R CA 0.558 56.638 56.100 -0.034 0.000 0.917 2 R CB 0.102 30.389 30.300 -0.022 0.000 1.014 2 R HN 0.333 nan 8.270 nan 0.000 0.296 3 R N 2.648 123.113 120.500 -0.059 0.000 2.641 3 R HA 0.308 4.647 4.340 -0.001 0.000 0.269 3 R C -0.435 175.819 176.300 -0.077 0.000 1.074 3 R CA 0.004 56.054 56.100 -0.083 0.000 1.133 3 R CB 0.774 31.020 30.300 -0.090 0.000 1.029 3 R HN 0.600 nan 8.270 nan 0.000 0.488 4 A N 4.906 127.668 122.820 -0.096 0.000 2.327 4 A HA 0.424 4.744 4.320 -0.001 0.000 0.283 4 A C -2.196 175.323 177.584 -0.108 0.000 1.127 4 A CA -1.754 50.236 52.037 -0.078 0.000 0.810 4 A CB 0.350 19.310 19.000 -0.067 0.000 1.066 4 A HN 0.625 nan 8.150 nan 0.000 0.492 5 P HA 0.331 nan 4.420 nan 0.000 0.265 5 P C -0.591 176.482 177.300 -0.378 0.000 1.193 5 P CA 0.381 63.316 63.100 -0.275 0.000 0.765 5 P CB 0.859 32.437 31.700 -0.203 0.000 0.823 6 A N 3.382 125.923 122.820 -0.466 0.000 2.355 6 A HA 0.784 5.103 4.320 -0.001 0.000 0.317 6 A C -1.135 176.144 177.584 -0.508 0.000 1.094 6 A CA -0.487 51.382 52.037 -0.280 0.000 0.764 6 A CB 0.625 19.723 19.000 0.163 0.000 1.230 6 A HN 0.394 nan 8.150 nan 0.000 0.448 7 F N 1.858 121.918 119.950 0.184 0.000 2.563 7 F HA 0.638 5.165 4.527 -0.001 0.000 0.316 7 F C -2.394 173.518 175.800 0.185 0.000 1.076 7 F CA -2.123 55.974 58.000 0.160 0.000 0.921 7 F CB 2.617 41.708 39.000 0.152 0.000 1.209 7 F HN 0.304 nan 8.300 nan 0.000 0.462 8 P HA 0.231 nan 4.420 nan 0.000 0.285 8 P C 0.463 177.945 177.300 0.303 0.000 1.269 8 P CA -0.577 62.684 63.100 0.267 0.000 0.844 8 P CB 1.347 33.154 31.700 0.178 0.000 1.094 9 L N 2.229 123.637 121.223 0.309 0.000 2.051 9 L HA -0.251 4.089 4.340 -0.001 0.000 0.214 9 L C 2.174 179.157 176.870 0.188 0.000 1.076 9 L CA 2.817 57.833 54.840 0.294 0.000 0.758 9 L CB -1.656 40.526 42.059 0.204 0.000 0.890 9 L HN 0.489 nan 8.230 nan 0.000 0.433 10 S N -1.615 114.176 115.700 0.151 0.000 2.400 10 S HA -0.192 4.278 4.470 -0.001 0.000 0.232 10 S C 1.001 175.667 174.600 0.111 0.000 1.025 10 S CA 0.605 58.870 58.200 0.108 0.000 0.993 10 S CB -0.899 62.357 63.200 0.094 0.000 0.808 10 S HN 0.618 nan 8.310 nan 0.000 0.478 11 D N 0.125 120.612 120.400 0.145 0.000 2.423 11 D HA 0.138 4.778 4.640 -0.001 0.000 0.238 11 D C 1.075 177.413 176.300 0.064 0.000 1.142 11 D CA 0.065 54.137 54.000 0.120 0.000 0.884 11 D CB 0.442 41.355 40.800 0.188 0.000 1.199 11 D HN 0.099 nan 8.370 nan 0.000 0.438 12 I N 3.143 123.724 120.570 0.018 0.000 2.264 12 I HA -0.243 3.927 4.170 -0.001 0.000 0.248 12 I C 1.809 177.894 176.117 -0.053 0.000 1.111 12 I CA 1.579 62.876 61.300 -0.005 0.000 1.382 12 I CB -0.137 37.856 38.000 -0.013 0.000 1.060 12 I HN 0.409 nan 8.210 nan 0.000 0.418 13 K N 0.536 120.830 120.400 -0.176 0.000 2.103 13 K HA -0.114 4.206 4.320 -0.001 0.000 0.207 13 K C 2.050 178.567 176.600 -0.139 0.000 1.048 13 K CA 1.521 57.625 56.287 -0.305 0.000 0.930 13 K CB -0.551 31.428 32.500 -0.868 0.000 0.716 13 K HN 0.490 nan 8.250 nan 0.000 0.444 14 A N 1.045 123.871 122.820 0.009 0.000 1.878 14 A HA -0.088 4.231 4.320 -0.001 0.000 0.213 14 A C 2.112 179.806 177.584 0.183 0.000 1.192 14 A CA 0.556 52.697 52.037 0.173 0.000 0.619 14 A CB -0.203 19.007 19.000 0.350 0.000 0.837 14 A HN 0.124 nan 8.150 nan 0.000 0.446 15 Q N -0.187 119.705 119.800 0.153 0.000 2.173 15 Q HA -0.171 4.169 4.340 -0.001 0.000 0.208 15 Q C 1.897 177.987 176.000 0.150 0.000 0.989 15 Q CA 1.606 57.508 55.803 0.165 0.000 0.872 15 Q CB -0.476 28.319 28.738 0.094 0.000 0.909 15 Q HN 0.728 nan 8.270 nan 0.000 0.420 16 M N -0.155 119.489 119.600 0.074 0.000 2.659 16 M HA -0.008 4.471 4.480 -0.001 0.000 0.243 16 M C 1.459 177.792 176.300 0.056 0.000 1.111 16 M CA 0.435 55.781 55.300 0.075 0.000 1.070 16 M CB -0.006 32.646 32.600 0.087 0.000 1.525 16 M HN 0.107 nan 8.290 nan 0.000 0.517 17 L N -0.780 120.363 121.223 -0.133 0.000 2.554 17 L HA 0.090 4.430 4.340 -0.001 0.000 0.226 17 L C -0.307 176.113 176.870 -0.750 0.000 1.137 17 L CA 0.299 54.838 54.840 -0.502 0.000 0.863 17 L CB -0.081 41.445 42.059 -0.888 0.000 0.985 17 L HN 0.114 nan 8.230 nan 0.000 0.451 18 F N -0.118 119.840 119.950 0.014 0.000 2.539 18 F HA 0.570 5.097 4.527 -0.001 0.000 0.328 18 F C 0.572 176.373 175.800 0.002 0.000 1.148 18 F CA -0.981 57.024 58.000 0.007 0.000 0.940 18 F CB 0.880 39.819 39.000 -0.102 0.000 1.194 18 F HN -0.229 nan 8.300 nan 0.000 0.438 19 A N 1.718 124.634 122.820 0.159 0.000 2.366 19 A HA 0.167 4.487 4.320 -0.001 0.000 0.250 19 A C 0.594 178.261 177.584 0.138 0.000 1.099 19 A CA -0.402 51.712 52.037 0.128 0.000 0.794 19 A CB 0.162 19.294 19.000 0.220 0.000 1.056 19 A HN 0.731 nan 8.150 nan 0.000 0.499 20 N N 0.839 119.605 118.700 0.111 0.000 3.254 20 N HA 0.094 4.834 4.740 -0.001 0.000 0.308 20 N C -0.673 174.879 175.510 0.070 0.000 1.281 20 N CA -0.002 53.093 53.050 0.074 0.000 1.212 20 N CB -1.034 37.485 38.487 0.053 0.000 1.478 20 N HN 0.736 nan 8.380 nan 0.000 0.548 21 N N -1.419 117.329 118.700 0.080 0.000 2.571 21 N HA 0.325 5.064 4.740 -0.001 0.000 0.273 21 N C 0.727 176.253 175.510 0.027 0.000 1.340 21 N CA -0.764 52.320 53.050 0.057 0.000 0.789 21 N CB 0.633 39.168 38.487 0.081 0.000 1.514 21 N HN -0.113 nan 8.380 nan 0.000 0.499 22 I N -0.002 120.573 120.570 0.008 0.000 2.252 22 I HA -0.161 4.009 4.170 -0.001 0.000 0.245 22 I C 2.046 178.138 176.117 -0.042 0.000 1.102 22 I CA 0.960 62.249 61.300 -0.019 0.000 1.385 22 I CB -0.229 37.761 38.000 -0.016 0.000 1.064 22 I HN 0.560 nan 8.210 nan 0.000 0.414 23 K N 0.973 121.363 120.400 -0.018 0.000 2.009 23 K HA -0.185 4.134 4.320 -0.001 0.000 0.210 23 K C 2.284 178.794 176.600 -0.149 0.000 1.049 23 K CA 1.693 57.956 56.287 -0.041 0.000 0.929 23 K CB -0.342 32.179 32.500 0.034 0.000 0.714 23 K HN 0.293 nan 8.250 nan 0.000 0.440 24 A N 1.712 124.494 122.820 -0.063 0.000 1.865 24 A HA -0.233 4.087 4.320 -0.001 0.000 0.217 24 A C 2.159 179.568 177.584 -0.291 0.000 1.191 24 A CA 1.526 53.472 52.037 -0.151 0.000 0.623 24 A CB -0.515 18.625 19.000 0.233 0.000 0.826 24 A HN 0.272 nan 8.150 nan 0.000 0.444 25 Q N -0.661 119.035 119.800 -0.173 0.000 2.112 25 Q HA -0.270 4.070 4.340 -0.001 0.000 0.206 25 Q C 2.150 177.950 176.000 -0.334 0.000 0.987 25 Q CA 2.109 57.765 55.803 -0.245 0.000 0.858 25 Q CB -0.548 28.114 28.738 -0.128 0.000 0.905 25 Q HN 0.877 nan 8.270 nan 0.000 0.420 26 Q N -0.474 119.172 119.800 -0.256 0.000 2.119 26 Q HA -0.082 4.258 4.340 -0.001 0.000 0.201 26 Q C 1.940 177.769 176.000 -0.284 0.000 0.972 26 Q CA 1.198 56.871 55.803 -0.216 0.000 0.847 26 Q CB -0.038 28.620 28.738 -0.134 0.000 0.903 26 Q HN 0.397 nan 8.270 nan 0.000 0.433 27 A N 0.455 123.005 122.820 -0.449 0.000 1.908 27 A HA -0.229 4.090 4.320 -0.001 0.000 0.218 27 A C 2.165 179.499 177.584 -0.417 0.000 1.181 27 A CA 1.994 53.738 52.037 -0.488 0.000 0.627 27 A CB -0.793 17.462 19.000 -1.241 0.000 0.818 27 A HN 0.567 nan 8.150 nan 0.000 0.445 28 S N -0.651 114.481 115.700 -0.946 0.000 2.428 28 S HA -0.073 4.397 4.470 -0.001 0.000 0.230 28 S C 1.691 175.930 174.600 -0.603 0.000 1.014 28 S CA 1.447 58.888 58.200 -1.266 0.000 0.957 28 S CB -0.188 61.764 63.200 -2.080 0.000 0.784 28 S HN 0.589 nan 8.310 nan 0.000 0.499 29 K N 0.406 120.519 120.400 -0.480 0.000 2.356 29 K HA 0.239 4.559 4.320 -0.001 0.000 0.195 29 K C 0.667 177.159 176.600 -0.179 0.000 1.037 29 K CA -0.247 55.781 56.287 -0.432 0.000 1.014 29 K CB 0.095 32.453 32.500 -0.236 0.000 0.815 29 K HN 0.208 nan 8.250 nan 0.000 0.507 30 R N 1.632 122.116 120.500 -0.025 0.000 2.500 30 R HA -0.032 4.308 4.340 -0.001 0.000 0.281 30 R C -0.776 175.713 176.300 0.316 0.000 0.953 30 R CA 0.720 56.895 56.100 0.126 0.000 1.108 30 R CB -0.078 30.301 30.300 0.132 0.000 0.901 30 R HN -0.134 nan 8.270 nan 0.000 0.410 31 S N 4.085 119.916 115.700 0.219 0.000 2.690 31 S HA 0.353 4.823 4.470 -0.001 0.000 0.291 31 S C -0.759 173.938 174.600 0.161 0.000 1.138 31 S CA -0.624 57.706 58.200 0.217 0.000 1.013 31 S CB 0.467 63.776 63.200 0.182 0.000 1.053 31 S HN 0.542 nan 8.310 nan 0.000 0.539 32 F N 2.673 122.640 119.950 0.028 0.000 2.580 32 F HA 0.161 4.688 4.527 -0.001 0.000 0.398 32 F C 0.256 176.078 175.800 0.038 0.000 1.023 32 F CA 0.735 58.744 58.000 0.015 0.000 1.188 32 F CB 0.095 39.092 39.000 -0.005 0.000 1.005 32 F HN 0.392 nan 8.300 nan 0.000 0.546 33 K N 5.338 125.394 120.400 -0.573 0.000 2.395 33 K HA 0.585 4.904 4.320 -0.001 0.000 0.247 33 K C -1.492 174.703 176.600 -0.674 0.000 0.973 33 K CA -0.605 55.433 56.287 -0.415 0.000 0.828 33 K CB 1.682 34.077 32.500 -0.175 0.000 1.272 33 K HN 0.781 nan 8.250 nan 0.000 0.439 34 E N 0.584 120.551 120.200 -0.388 0.000 2.416 34 E HA 0.676 5.026 4.350 -0.001 0.000 0.280 34 E C -1.097 175.200 176.600 -0.505 0.000 1.055 34 E CA -1.413 54.718 56.400 -0.449 0.000 0.825 34 E CB 1.709 31.234 29.700 -0.291 0.000 1.312 34 E HN 0.756 nan 8.360 nan 0.000 0.452 35 G N -0.287 107.954 108.800 -0.931 0.000 2.368 35 G HA2 0.477 4.437 3.960 -0.001 0.000 0.303 35 G HA3 0.477 4.437 3.960 -0.001 0.000 0.303 35 G C -1.026 173.399 174.900 -0.792 0.000 1.590 35 G CA -0.465 44.119 45.100 -0.861 0.000 0.938 35 G HN 0.831 nan 8.290 nan 0.000 0.675 36 A N 0.932 123.534 122.820 -0.363 0.000 2.546 36 A HA 0.505 4.825 4.320 -0.001 0.000 0.243 36 A C 1.096 178.644 177.584 -0.060 0.000 1.063 36 A CA 0.570 52.595 52.037 -0.020 0.000 0.757 36 A CB -0.378 18.742 19.000 0.200 0.000 0.991 36 A HN 1.867 nan 8.150 nan 0.000 0.503 37 I N -0.546 120.010 120.570 -0.023 0.000 2.764 37 I HA 0.369 4.539 4.170 -0.001 0.000 0.294 37 I C 0.423 176.541 176.117 0.003 0.000 1.045 37 I CA -0.543 60.745 61.300 -0.021 0.000 1.340 37 I CB 0.899 38.892 38.000 -0.012 0.000 1.436 37 I HN 0.718 nan 8.210 nan 0.000 0.567 38 E N 2.933 123.129 120.200 -0.007 0.000 1.856 38 E HA 0.123 4.472 4.350 -0.001 0.000 0.263 38 E C 0.421 176.994 176.600 -0.044 0.000 1.137 38 E CA -0.188 56.207 56.400 -0.009 0.000 1.007 38 E CB 0.421 30.123 29.700 0.003 0.000 1.117 38 E HN 0.822 nan 8.360 nan 0.000 0.438 39 T N 3.215 117.713 114.554 -0.093 0.000 2.597 39 T HA -0.187 4.162 4.350 -0.001 0.000 0.267 39 T C -0.030 174.393 174.700 -0.461 0.000 1.053 39 T CA 1.628 63.581 62.100 -0.245 0.000 1.165 39 T CB -0.109 68.592 68.868 -0.278 0.000 0.863 39 T HN 0.353 nan 8.240 nan 0.000 0.427 40 Y N -0.288 120.028 120.300 0.026 0.000 2.665 40 Y HA 0.476 5.026 4.550 -0.001 0.000 0.336 40 Y C 0.063 175.984 175.900 0.035 0.000 1.085 40 Y CA -1.811 56.320 58.100 0.051 0.000 1.096 40 Y CB 0.857 39.395 38.460 0.131 0.000 1.301 40 Y HN -0.078 nan 8.280 nan 0.000 0.493 41 E N 0.399 120.725 120.200 0.210 0.000 2.558 41 E HA 0.266 4.615 4.350 -0.001 0.000 0.255 41 E C 0.695 177.361 176.600 0.110 0.000 0.968 41 E CA 1.478 57.943 56.400 0.109 0.000 0.939 41 E CB 0.022 29.760 29.700 0.063 0.000 0.921 41 E HN 0.855 nan 8.360 nan 0.000 0.477 42 G N 3.494 112.336 108.800 0.071 0.000 2.166 42 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.260 42 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.260 42 G C -0.086 174.847 174.900 0.054 0.000 0.986 42 G CA 0.013 45.149 45.100 0.059 0.000 0.683 42 G HN 0.461 nan 8.290 nan 0.000 0.527 43 L N 0.447 121.700 121.223 0.049 0.000 2.372 43 L HA 0.602 4.942 4.340 -0.001 0.000 0.274 43 L C -0.516 176.333 176.870 -0.035 0.000 0.988 43 L CA -1.021 53.817 54.840 -0.004 0.000 0.833 43 L CB 1.258 43.295 42.059 -0.037 0.000 1.236 43 L HN -0.017 nan 8.230 nan 0.000 0.410 44 L N 2.800 124.022 121.223 -0.002 0.000 2.334 44 L HA 0.259 4.599 4.340 -0.001 0.000 0.277 44 L C 1.603 178.519 176.870 0.076 0.000 1.075 44 L CA 0.407 55.269 54.840 0.037 0.000 0.804 44 L CB 1.811 43.914 42.059 0.074 0.000 1.174 44 L HN 0.744 nan 8.230 nan 0.000 0.438 45 S N 1.349 117.136 115.700 0.144 0.000 2.465 45 S HA -0.118 4.351 4.470 -0.001 0.000 0.241 45 S C 1.055 175.908 174.600 0.423 0.000 1.000 45 S CA 1.026 59.430 58.200 0.340 0.000 0.964 45 S CB -0.519 62.865 63.200 0.306 0.000 0.763 45 S HN 0.581 nan 8.310 nan 0.000 0.512 46 V N -1.289 118.790 119.914 0.276 0.000 3.376 46 V HA 0.295 4.415 4.120 -0.001 0.000 0.313 46 V C 0.296 176.473 176.094 0.137 0.000 1.393 46 V CA -0.435 61.979 62.300 0.190 0.000 1.125 46 V CB -0.605 31.293 31.823 0.125 0.000 1.037 46 V HN 0.321 nan 8.190 nan 0.000 0.440 47 D N 2.387 122.900 120.400 0.188 0.000 2.487 47 D HA 0.073 4.712 4.640 -0.001 0.000 0.243 47 D C -1.521 174.838 176.300 0.098 0.000 1.154 47 D CA -0.962 53.118 54.000 0.135 0.000 0.876 47 D CB 2.083 42.977 40.800 0.157 0.000 1.161 47 D HN 0.157 nan 8.370 nan 0.000 0.478 48 P HA -0.079 nan 4.420 nan 0.000 0.218 48 P C 1.013 178.229 177.300 -0.141 0.000 1.149 48 P CA 1.114 64.165 63.100 -0.081 0.000 0.817 48 P CB 0.258 31.903 31.700 -0.091 0.000 0.785 49 R N -1.891 118.491 120.500 -0.196 0.000 2.096 49 R HA -0.096 4.244 4.340 -0.001 0.000 0.235 49 R C 2.091 178.127 176.300 -0.440 0.000 1.127 49 R CA 1.058 56.858 56.100 -0.500 0.000 0.968 49 R CB -1.384 28.361 30.300 -0.924 0.000 0.861 49 R HN 0.176 nan 8.270 nan 0.000 0.440 50 F N 0.995 120.816 119.950 -0.216 0.000 2.163 50 F HA 0.023 4.550 4.527 -0.001 0.000 0.297 50 F C 1.677 177.537 175.800 0.100 0.000 1.094 50 F CA 1.133 59.172 58.000 0.065 0.000 1.290 50 F CB -0.179 38.956 39.000 0.224 0.000 1.017 50 F HN -0.119 nan 8.300 nan 0.000 0.483 51 L N -0.972 120.248 121.223 -0.005 0.000 2.056 51 L HA -0.203 4.136 4.340 -0.001 0.000 0.207 51 L C 2.724 179.480 176.870 -0.190 0.000 1.078 51 L CA 1.522 56.252 54.840 -0.184 0.000 0.749 51 L CB -1.156 40.682 42.059 -0.368 0.000 0.901 51 L HN 0.215 nan 8.230 nan 0.000 0.433 52 S N 0.284 115.876 115.700 -0.179 0.000 2.359 52 S HA -0.276 4.194 4.470 -0.001 0.000 0.224 52 S C 2.046 176.586 174.600 -0.101 0.000 1.035 52 S CA 1.566 59.675 58.200 -0.152 0.000 1.018 52 S CB -0.453 62.640 63.200 -0.178 0.000 0.876 52 S HN 0.416 nan 8.310 nan 0.000 0.448 53 F N 1.938 121.727 119.950 -0.268 0.000 2.126 53 F HA -0.025 4.502 4.527 -0.000 0.000 0.299 53 F C 2.125 177.805 175.800 -0.199 0.000 1.096 53 F CA 1.926 59.781 58.000 -0.242 0.000 1.255 53 F CB -0.422 38.413 39.000 -0.274 0.000 0.997 53 F HN 0.171 nan 8.300 nan 0.000 0.479 54 K N -0.028 120.173 120.400 -0.331 0.000 2.097 54 K HA -0.200 4.120 4.320 -0.001 0.000 0.205 54 K C 1.912 178.427 176.600 -0.143 0.000 1.050 54 K CA 1.393 57.476 56.287 -0.340 0.000 0.938 54 K CB -0.420 32.007 32.500 -0.123 0.000 0.718 54 K HN 0.348 nan 8.250 nan 0.000 0.442 55 N N 1.317 120.034 118.700 0.029 0.000 2.058 55 N HA -0.233 4.506 4.740 -0.001 0.000 0.191 55 N C 1.787 177.292 175.510 -0.009 0.000 1.037 55 N CA 1.711 54.805 53.050 0.073 0.000 0.848 55 N CB 0.060 38.599 38.487 0.088 0.000 1.021 55 N HN 0.197 nan 8.380 nan 0.000 0.422 56 E N -0.650 119.497 120.200 -0.088 0.000 2.028 56 E HA -0.184 4.166 4.350 -0.001 0.000 0.191 56 E C 1.929 178.459 176.600 -0.117 0.000 0.988 56 E CA 0.917 57.272 56.400 -0.075 0.000 0.799 56 E CB -0.253 29.396 29.700 -0.086 0.000 0.755 56 E HN 0.319 nan 8.360 nan 0.000 0.447 57 L N 1.300 122.315 121.223 -0.346 0.000 1.956 57 L HA -0.276 4.064 4.340 -0.001 0.000 0.216 57 L C 2.628 179.399 176.870 -0.166 0.000 1.073 57 L CA 2.759 57.381 54.840 -0.363 0.000 0.762 57 L CB -1.228 40.365 42.059 -0.777 0.000 0.889 57 L HN 0.327 nan 8.230 nan 0.000 0.433 58 S N -0.679 114.935 115.700 -0.142 0.000 2.380 58 S HA -0.311 4.158 4.470 -0.001 0.000 0.229 58 S C 2.130 176.800 174.600 0.117 0.000 1.043 58 S CA 1.709 59.918 58.200 0.015 0.000 1.038 58 S CB -0.713 62.546 63.200 0.099 0.000 0.872 58 S HN 0.558 nan 8.310 nan 0.000 0.456 59 R N -0.615 120.022 120.500 0.228 0.000 2.057 59 R HA 0.008 4.348 4.340 -0.001 0.000 0.229 59 R C 2.371 178.787 176.300 0.194 0.000 1.136 59 R CA 1.458 57.766 56.100 0.347 0.000 0.952 59 R CB -0.765 29.729 30.300 0.324 0.000 0.848 59 R HN 0.567 nan 8.270 nan 0.000 0.430 60 Y N 1.945 122.250 120.300 0.008 0.000 2.069 60 Y HA -0.284 4.266 4.550 -0.000 0.000 0.278 60 Y C 1.937 177.800 175.900 -0.062 0.000 1.175 60 Y CA 1.764 59.832 58.100 -0.054 0.000 1.134 60 Y CB -0.296 38.067 38.460 -0.162 0.000 0.965 60 Y HN -0.028 nan 8.280 nan 0.000 0.498 61 L N -1.446 119.696 121.223 -0.134 0.000 2.072 61 L HA -0.198 4.142 4.340 -0.001 0.000 0.205 61 L C 2.316 179.089 176.870 -0.161 0.000 1.079 61 L CA 1.702 56.329 54.840 -0.355 0.000 0.752 61 L CB -1.187 40.150 42.059 -1.203 0.000 0.906 61 L HN 0.158 nan 8.230 nan 0.000 0.436 62 T N -0.840 113.697 114.554 -0.029 0.000 2.803 62 T HA -0.216 4.134 4.350 -0.001 0.000 0.269 62 T C 1.538 176.273 174.700 0.059 0.000 1.052 62 T CA 1.660 63.815 62.100 0.092 0.000 1.136 62 T CB -0.213 68.477 68.868 -0.296 0.000 0.864 62 T HN 0.286 nan 8.240 nan 0.000 0.467 63 D N 0.121 120.535 120.400 0.024 0.000 2.091 63 D HA -0.052 4.588 4.640 -0.001 0.000 0.199 63 D C 1.949 178.148 176.300 -0.169 0.000 0.980 63 D CA 1.107 55.098 54.000 -0.014 0.000 0.831 63 D CB -0.116 40.723 40.800 0.065 0.000 0.987 63 D HN 0.425 nan 8.370 nan 0.000 0.460 64 H N -1.784 116.988 119.070 -0.496 0.000 2.512 64 H HA 0.185 4.740 4.556 -0.001 0.000 0.279 64 H C 0.040 174.845 175.328 -0.873 0.000 0.999 64 H CA 0.512 56.082 56.048 -0.796 0.000 1.283 64 H CB 0.100 29.107 29.762 -1.259 0.000 1.421 64 H HN 0.059 nan 8.280 nan 0.000 0.554 65 F N 1.636 121.598 119.950 0.021 0.000 2.542 65 F HA 0.307 4.834 4.527 -0.001 0.000 0.323 65 F C -2.381 173.503 175.800 0.140 0.000 1.411 65 F CA -2.879 55.172 58.000 0.087 0.000 1.124 65 F CB 0.569 39.645 39.000 0.126 0.000 1.331 65 F HN -0.098 nan 8.300 nan 0.000 0.560 66 P HA 0.088 nan 4.420 nan 0.000 0.269 66 P C 0.002 177.349 177.300 0.080 0.000 1.215 66 P CA -0.077 63.086 63.100 0.104 0.000 0.780 66 P CB 0.897 32.623 31.700 0.044 0.000 0.898 67 A N 2.968 125.806 122.820 0.030 0.000 2.546 67 A HA 0.016 4.335 4.320 -0.001 0.000 0.243 67 A C 0.374 177.925 177.584 -0.056 0.000 1.063 67 A CA -0.009 52.017 52.037 -0.017 0.000 0.757 67 A CB -0.981 18.005 19.000 -0.024 0.000 0.991 67 A HN 0.578 nan 8.150 nan 0.000 0.503 68 N N 1.631 120.212 118.700 -0.198 0.000 2.949 68 N HA 0.415 5.155 4.740 -0.001 0.000 0.243 68 N C -1.336 173.907 175.510 -0.446 0.000 1.113 68 N CA -0.330 52.362 53.050 -0.597 0.000 0.980 68 N CB 1.080 38.872 38.487 -1.157 0.000 1.256 68 N HN 0.371 nan 8.380 nan 0.000 0.508 69 V N 0.985 120.924 119.914 0.043 0.000 2.577 69 V HA 0.185 4.304 4.120 -0.001 0.000 0.303 69 V C 0.045 176.373 176.094 0.389 0.000 1.042 69 V CA -1.024 61.428 62.300 0.254 0.000 0.872 69 V CB 1.726 33.715 31.823 0.278 0.000 0.998 69 V HN 0.518 nan 8.190 nan 0.000 0.423 70 D N 3.309 123.934 120.400 0.375 0.000 2.301 70 D HA 0.113 4.753 4.640 -0.001 0.000 0.287 70 D C 0.957 177.371 176.300 0.190 0.000 1.179 70 D CA 0.297 54.453 54.000 0.260 0.000 1.060 70 D CB 0.469 41.359 40.800 0.149 0.000 1.135 70 D HN 0.639 nan 8.370 nan 0.000 0.531 71 E N -2.826 117.481 120.200 0.179 0.000 2.364 71 E HA 0.088 4.438 4.350 -0.001 0.000 0.196 71 E C 0.179 176.592 176.600 -0.312 0.000 0.990 71 E CA -0.084 56.344 56.400 0.047 0.000 0.886 71 E CB -0.154 29.595 29.700 0.081 0.000 0.866 71 E HN 0.428 nan 8.360 nan 0.000 0.493 72 Y N -0.620 119.459 120.300 -0.367 0.000 2.701 72 Y HA -0.242 4.308 4.550 -0.001 0.000 0.474 72 Y C 1.638 177.509 175.900 -0.048 0.000 1.338 72 Y CA 0.987 58.885 58.100 -0.337 0.000 2.436 72 Y CB -1.791 36.487 38.460 -0.304 0.000 1.060 72 Y HN 0.289 nan 8.280 nan 0.000 0.537 73 G N 1.146 109.991 108.800 0.075 0.000 2.155 73 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.257 73 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.257 73 G C 0.118 175.144 174.900 0.210 0.000 0.983 73 G CA 0.361 45.510 45.100 0.082 0.000 0.676 73 G HN 0.633 nan 8.290 nan 0.000 0.528 74 R N -0.194 120.417 120.500 0.184 0.000 2.390 74 R HA 0.565 4.905 4.340 -0.001 0.000 0.291 74 R C 0.461 176.926 176.300 0.275 0.000 1.070 74 R CA -0.049 56.146 56.100 0.157 0.000 1.014 74 R CB 1.922 32.061 30.300 -0.269 0.000 1.007 74 R HN 0.579 nan 8.270 nan 0.000 0.466 75 V N 3.465 123.576 119.914 0.329 0.000 2.612 75 V HA 0.597 4.717 4.120 -0.001 0.000 0.301 75 V C -0.890 175.390 176.094 0.309 0.000 1.046 75 V CA -0.365 62.082 62.300 0.245 0.000 0.946 75 V CB 0.805 32.706 31.823 0.130 0.000 1.003 75 V HN 0.830 nan 8.190 nan 0.000 0.459 76 Y N 3.261 123.651 120.300 0.150 0.000 2.965 76 Y HA 0.950 5.499 4.550 -0.000 0.000 0.310 76 Y C 1.044 177.012 175.900 0.113 0.000 1.480 76 Y CA -0.407 57.772 58.100 0.132 0.000 1.094 76 Y CB 0.400 38.929 38.460 0.115 0.000 1.377 76 Y HN 1.394 nan 8.280 nan 0.000 0.514 77 G N 1.556 110.507 108.800 0.252 0.000 2.665 77 G HA2 -0.491 3.469 3.960 -0.001 0.000 0.326 77 G HA3 -0.491 3.469 3.960 -0.001 0.000 0.326 77 G C 0.825 175.762 174.900 0.061 0.000 1.231 77 G CA 1.217 46.403 45.100 0.142 0.000 0.992 77 G HN 1.375 nan 8.290 nan 0.000 0.549 78 N N 2.009 120.722 118.700 0.021 0.000 2.459 78 N HA 0.235 4.975 4.740 -0.001 0.000 0.181 78 N C 1.720 177.258 175.510 0.046 0.000 1.046 78 N CA 1.250 54.346 53.050 0.076 0.000 0.904 78 N CB -0.043 38.542 38.487 0.163 0.000 0.964 78 N HN 2.189 nan 8.380 nan 0.000 0.444 79 G N 0.216 109.018 108.800 0.004 0.000 2.136 79 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.242 79 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.242 79 G C -0.226 174.684 174.900 0.017 0.000 0.989 79 G CA 0.112 45.226 45.100 0.024 0.000 0.682 79 G HN 0.241 nan 8.290 nan 0.000 0.522 80 V N 0.960 120.872 119.914 -0.004 0.000 2.407 80 V HA 0.475 4.594 4.120 -0.001 0.000 0.278 80 V C 1.458 177.516 176.094 -0.061 0.000 1.037 80 V CA 0.163 62.444 62.300 -0.032 0.000 0.900 80 V CB 1.392 33.235 31.823 0.035 0.000 0.983 80 V HN 0.567 nan 8.190 nan 0.000 0.459 81 R N 2.425 122.879 120.500 -0.075 0.000 2.308 81 R HA 0.342 4.682 4.340 -0.001 0.000 0.202 81 R C 0.615 176.877 176.300 -0.063 0.000 0.898 81 R CA 0.133 56.217 56.100 -0.027 0.000 1.046 81 R CB 0.624 30.938 30.300 0.024 0.000 1.026 81 R HN 0.603 nan 8.270 nan 0.000 0.512 82 T N 0.270 114.723 114.554 -0.168 0.000 2.718 82 T HA 0.173 4.523 4.350 -0.001 0.000 0.306 82 T C -1.564 172.934 174.700 -0.336 0.000 1.485 82 T CA -0.820 61.167 62.100 -0.189 0.000 0.997 82 T CB 1.041 69.817 68.868 -0.154 0.000 1.504 82 T HN 0.410 nan 8.240 nan 0.000 0.497 83 N N 0.079 118.625 118.700 -0.256 0.000 2.260 83 N HA 0.242 4.982 4.740 -0.001 0.000 0.230 83 N C 0.041 175.253 175.510 -0.498 0.000 1.323 83 N CA 0.125 52.971 53.050 -0.341 0.000 0.897 83 N CB 0.049 38.342 38.487 -0.324 0.000 1.146 83 N HN 0.460 nan 8.380 nan 0.000 0.460 84 F N -1.867 117.799 119.950 -0.473 0.000 2.639 84 F HA 0.367 4.894 4.527 -0.000 0.000 0.302 84 F C 0.515 176.183 175.800 -0.220 0.000 1.097 84 F CA -0.552 57.284 58.000 -0.273 0.000 1.294 84 F CB -0.300 38.587 39.000 -0.189 0.000 1.027 84 F HN 0.398 nan 8.300 nan 0.000 0.550 85 F N -0.189 119.817 119.950 0.094 0.000 2.641 85 F HA -0.025 4.501 4.527 -0.001 0.000 0.298 85 F C 2.399 178.127 175.800 -0.121 0.000 1.146 85 F CA 0.372 58.336 58.000 -0.059 0.000 1.464 85 F CB -0.619 38.357 39.000 -0.041 0.000 1.101 85 F HN 0.125 nan 8.300 nan 0.000 0.585 86 G N 1.373 110.239 108.800 0.110 0.000 2.499 86 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.221 86 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.221 86 G C 1.571 176.582 174.900 0.184 0.000 1.109 86 G CA 1.036 46.218 45.100 0.136 0.000 0.749 86 G HN 0.518 nan 8.290 nan 0.000 0.568 87 M N -0.706 118.947 119.600 0.087 0.000 2.556 87 M HA 0.302 4.781 4.480 -0.001 0.000 0.245 87 M C 1.096 177.335 176.300 -0.101 0.000 1.128 87 M CA 0.298 55.654 55.300 0.093 0.000 1.069 87 M CB 0.149 32.806 32.600 0.094 0.000 1.469 87 M HN -0.098 nan 8.290 nan 0.000 0.494 88 R N 2.160 122.393 120.500 -0.444 0.000 4.860 88 R HA 0.198 4.537 4.340 -0.001 0.000 0.191 88 R C -0.806 174.977 176.300 -0.862 0.000 1.936 88 R CA 0.112 55.530 56.100 -1.137 0.000 1.609 88 R CB -0.612 28.897 30.300 -1.318 0.000 1.392 88 R HN 0.437 nan 8.270 nan 0.000 0.844 89 H N 0.882 119.902 119.070 -0.083 0.000 2.637 89 H HA 0.229 4.785 4.556 -0.001 0.000 0.363 89 H C 0.287 175.782 175.328 0.278 0.000 1.131 89 H CA -0.959 55.173 56.048 0.139 0.000 1.183 89 H CB 1.874 31.711 29.762 0.126 0.000 1.637 89 H HN -0.006 nan 8.280 nan 0.000 0.531 90 M N 2.530 122.377 119.600 0.412 0.000 3.254 90 M HA 0.046 4.525 4.480 -0.001 0.000 0.257 90 M C -0.079 176.483 176.300 0.437 0.000 1.490 90 M CA -0.386 55.142 55.300 0.380 0.000 1.620 90 M CB -1.689 31.050 32.600 0.232 0.000 1.157 90 M HN 0.289 nan 8.290 nan 0.000 0.541 91 N N 2.131 121.045 118.700 0.356 0.000 2.301 91 N HA 0.114 4.854 4.740 -0.001 0.000 0.267 91 N C 1.397 176.994 175.510 0.146 0.000 1.304 91 N CA 1.192 54.383 53.050 0.234 0.000 0.851 91 N CB 0.478 39.095 38.487 0.216 0.000 1.070 91 N HN 0.894 nan 8.380 nan 0.000 0.483 92 G N 1.217 110.023 108.800 0.010 0.000 2.231 92 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.206 92 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.206 92 G C -0.352 174.286 174.900 -0.438 0.000 0.996 92 G CA -0.574 44.386 45.100 -0.234 0.000 0.645 92 G HN 0.442 nan 8.290 nan 0.000 0.498 93 F N 2.426 122.389 119.950 0.022 0.000 2.375 93 F HA 0.535 5.062 4.527 -0.001 0.000 0.361 93 F C -2.107 173.747 175.800 0.090 0.000 1.117 93 F CA -2.351 55.680 58.000 0.052 0.000 1.037 93 F CB 2.117 41.157 39.000 0.066 0.000 1.192 93 F HN -0.169 nan 8.300 nan 0.000 0.452 94 P HA 0.159 nan 4.420 nan 0.000 0.274 94 P C -0.210 177.215 177.300 0.208 0.000 1.231 94 P CA -0.586 62.622 63.100 0.181 0.000 0.790 94 P CB 0.580 32.394 31.700 0.190 0.000 0.951 95 M N 1.409 121.089 119.600 0.135 0.000 2.240 95 M HA 0.326 4.806 4.480 -0.001 0.000 0.317 95 M C -0.443 175.904 176.300 0.079 0.000 1.087 95 M CA 0.921 56.285 55.300 0.107 0.000 1.176 95 M CB -0.071 32.562 32.600 0.056 0.000 1.439 95 M HN 0.056 nan 8.290 nan 0.000 0.452 96 I N 1.836 122.441 120.570 0.058 0.000 2.466 96 I HA 0.533 4.702 4.170 -0.001 0.000 0.289 96 I C -2.487 173.654 176.117 0.040 0.000 1.026 96 I CA -1.919 59.388 61.300 0.012 0.000 1.078 96 I CB 1.580 39.571 38.000 -0.015 0.000 1.249 96 I HN 0.553 nan 8.210 nan 0.000 0.429 97 P HA 0.487 nan 4.420 nan 0.000 0.301 97 P C -0.571 176.663 177.300 -0.110 0.000 1.309 97 P CA -0.467 62.611 63.100 -0.037 0.000 0.782 97 P CB 0.992 32.722 31.700 0.049 0.000 1.282 98 A N -0.548 122.140 122.820 -0.220 0.000 2.259 98 A HA 0.503 4.823 4.320 -0.001 0.000 0.278 98 A C 0.407 177.865 177.584 -0.210 0.000 1.107 98 A CA -0.049 51.793 52.037 -0.326 0.000 0.828 98 A CB -0.595 17.892 19.000 -0.854 0.000 1.111 98 A HN 0.503 nan 8.150 nan 0.000 0.498 99 T N -0.788 113.704 114.554 -0.103 0.000 2.882 99 T HA 0.393 4.743 4.350 -0.001 0.000 0.287 99 T C -0.878 173.886 174.700 0.106 0.000 1.014 99 T CA -0.089 62.017 62.100 0.011 0.000 1.049 99 T CB 0.028 68.895 68.868 -0.003 0.000 1.001 99 T HN 0.383 nan 8.240 nan 0.000 0.525 100 W N 4.127 125.447 121.300 0.035 0.000 2.316 100 W HA 0.401 5.061 4.660 -0.001 0.000 0.311 100 W C -2.104 174.443 176.519 0.046 0.000 1.217 100 W CA -2.088 55.309 57.345 0.086 0.000 1.199 100 W CB 0.250 29.762 29.460 0.086 0.000 1.202 100 W HN 0.530 nan 8.180 nan 0.000 0.528 101 P HA -0.017 nan 4.420 nan 0.000 0.267 101 P C -0.469 176.904 177.300 0.123 0.000 1.205 101 P CA -0.135 63.026 63.100 0.101 0.000 0.765 101 P CB 0.371 32.092 31.700 0.036 0.000 0.828 102 L N 3.053 124.319 121.223 0.072 0.000 2.462 102 L HA 0.119 4.458 4.340 -0.001 0.000 0.272 102 L C 1.593 178.478 176.870 0.025 0.000 1.166 102 L CA 0.603 55.478 54.840 0.060 0.000 0.880 102 L CB -0.069 42.015 42.059 0.041 0.000 1.142 102 L HN 0.461 nan 8.230 nan 0.000 0.473 103 A N 2.392 125.219 122.820 0.012 0.000 2.014 103 A HA 0.056 4.376 4.320 -0.001 0.000 0.218 103 A C 1.063 178.641 177.584 -0.010 0.000 1.163 103 A CA 1.155 53.193 52.037 0.001 0.000 0.652 103 A CB -0.058 18.931 19.000 -0.018 0.000 0.808 103 A HN 0.596 nan 8.150 nan 0.000 0.449 104 S N -0.496 115.193 115.700 -0.018 0.000 2.575 104 S HA 0.417 4.886 4.470 -0.001 0.000 0.278 104 S C -0.177 174.413 174.600 -0.017 0.000 1.139 104 S CA -0.280 57.910 58.200 -0.016 0.000 0.954 104 S CB 0.958 64.143 63.200 -0.025 0.000 1.054 104 S HN 0.427 nan 8.310 nan 0.000 0.483 105 N N 5.221 123.916 118.700 -0.007 0.000 2.205 105 N HA 0.134 4.874 4.740 -0.001 0.000 0.201 105 N C 1.250 176.774 175.510 0.022 0.000 1.128 105 N CA -0.119 52.923 53.050 -0.013 0.000 0.867 105 N CB -0.486 37.981 38.487 -0.034 0.000 0.996 105 N HN 0.602 nan 8.380 nan 0.000 0.503 106 L N 0.265 121.506 121.223 0.030 0.000 2.042 106 L HA -0.124 4.216 4.340 -0.001 0.000 0.210 106 L C 2.586 179.488 176.870 0.053 0.000 1.076 106 L CA 1.498 56.370 54.840 0.054 0.000 0.749 106 L CB -0.482 41.602 42.059 0.042 0.000 0.893 106 L HN 0.213 nan 8.230 nan 0.000 0.432 107 K N 0.970 121.383 120.400 0.021 0.000 2.025 107 K HA -0.235 4.085 4.320 -0.001 0.000 0.207 107 K C 2.264 178.894 176.600 0.050 0.000 1.049 107 K CA 1.509 57.806 56.287 0.017 0.000 0.933 107 K CB -0.022 32.460 32.500 -0.029 0.000 0.714 107 K HN 0.088 nan 8.250 nan 0.000 0.438 108 K N 0.651 121.076 120.400 0.040 0.000 2.089 108 K HA -0.217 4.103 4.320 -0.001 0.000 0.210 108 K C 2.047 178.764 176.600 0.196 0.000 1.048 108 K CA 1.750 58.076 56.287 0.065 0.000 0.926 108 K CB 0.005 32.465 32.500 -0.068 0.000 0.714 108 K HN 0.139 nan 8.250 nan 0.000 0.448 109 R N -0.591 120.030 120.500 0.202 0.000 2.100 109 R HA 0.029 4.368 4.340 -0.001 0.000 0.220 109 R C 2.423 178.837 176.300 0.190 0.000 1.091 109 R CA 0.817 57.087 56.100 0.284 0.000 0.986 109 R CB -0.175 30.277 30.300 0.253 0.000 0.888 109 R HN 0.243 nan 8.270 nan 0.000 0.444 110 A N 1.754 124.653 122.820 0.132 0.000 1.858 110 A HA -0.187 4.133 4.320 -0.001 0.000 0.216 110 A C 1.442 179.078 177.584 0.087 0.000 1.190 110 A CA 1.804 53.896 52.037 0.091 0.000 0.617 110 A CB -0.434 18.602 19.000 0.061 0.000 0.827 110 A HN 0.133 nan 8.150 nan 0.000 0.443 111 D N -0.004 120.453 120.400 0.095 0.000 2.263 111 D HA 0.018 4.658 4.640 -0.001 0.000 0.208 111 D C 1.719 178.085 176.300 0.110 0.000 0.971 111 D CA 1.247 55.301 54.000 0.090 0.000 0.867 111 D CB -0.219 40.635 40.800 0.089 0.000 0.929 111 D HN 0.456 nan 8.370 nan 0.000 0.492 112 A N 0.074 122.983 122.820 0.149 0.000 2.275 112 A HA 0.044 4.363 4.320 -0.001 0.000 0.212 112 A C 0.102 177.730 177.584 0.072 0.000 1.201 112 A CA 0.080 52.201 52.037 0.139 0.000 0.843 112 A CB 0.247 19.383 19.000 0.227 0.000 0.873 112 A HN -0.059 nan 8.150 nan 0.000 0.492 113 D N -1.136 119.307 120.400 0.071 0.000 2.739 113 D HA -0.113 4.527 4.640 -0.001 0.000 0.240 113 D C -0.672 175.650 176.300 0.037 0.000 1.114 113 D CA 0.851 54.877 54.000 0.042 0.000 0.695 113 D CB -1.588 39.227 40.800 0.026 0.000 1.078 113 D HN 0.473 nan 8.370 nan 0.000 0.434 114 L N -0.250 121.016 121.223 0.072 0.000 2.322 114 L HA 0.728 5.068 4.340 -0.001 0.000 0.281 114 L C 1.041 177.990 176.870 0.132 0.000 1.014 114 L CA -1.090 53.808 54.840 0.097 0.000 0.815 114 L CB 1.736 43.872 42.059 0.128 0.000 1.247 114 L HN 0.100 nan 8.230 nan 0.000 0.421 115 A N 1.318 124.215 122.820 0.127 0.000 2.520 115 A HA 0.106 4.425 4.320 -0.001 0.000 0.235 115 A C 0.391 178.041 177.584 0.111 0.000 1.065 115 A CA 0.005 52.089 52.037 0.078 0.000 0.764 115 A CB -0.018 19.008 19.000 0.043 0.000 1.002 115 A HN 0.858 nan 8.150 nan 0.000 0.502 116 D N 0.278 120.628 120.400 -0.082 0.000 2.491 116 D HA 0.446 5.086 4.640 -0.001 0.000 0.228 116 D C 0.355 176.214 176.300 -0.735 0.000 1.183 116 D CA 0.516 54.428 54.000 -0.146 0.000 0.827 116 D CB -0.216 40.567 40.800 -0.028 0.000 0.989 116 D HN 0.943 nan 8.370 nan 0.000 0.494 117 G N -0.524 107.466 108.800 -1.350 0.000 2.313 117 G HA2 0.342 4.301 3.960 -0.001 0.000 0.296 117 G HA3 0.342 4.301 3.960 -0.001 0.000 0.296 117 G C -3.214 170.883 174.900 -1.338 0.000 1.356 117 G CA -1.131 42.871 45.100 -1.829 0.000 0.833 117 G HN -0.089 nan 8.290 nan 0.000 0.552 118 P HA 0.238 nan 4.420 nan 0.000 0.266 118 P C 1.026 178.257 177.300 -0.115 0.000 1.195 118 P CA -0.032 62.883 63.100 -0.307 0.000 0.768 118 P CB 1.554 33.178 31.700 -0.127 0.000 0.838 119 V N 1.593 121.555 119.914 0.081 0.000 2.685 119 V HA 0.060 4.179 4.120 -0.001 0.000 0.244 119 V C 0.439 176.525 176.094 -0.013 0.000 1.054 119 V CA 1.667 63.959 62.300 -0.012 0.000 1.076 119 V CB -0.178 31.612 31.823 -0.055 0.000 0.725 119 V HN 0.620 nan 8.190 nan 0.000 0.467 120 S N -0.622 115.096 115.700 0.031 0.000 2.566 120 S HA 0.516 4.986 4.470 -0.001 0.000 0.298 120 S C 0.463 175.070 174.600 0.012 0.000 1.083 120 S CA 0.145 58.347 58.200 0.003 0.000 0.978 120 S CB 1.721 64.917 63.200 -0.008 0.000 1.073 120 S HN 0.295 nan 8.310 nan 0.000 0.491 121 E N 1.509 121.702 120.200 -0.010 0.000 2.160 121 E HA -0.195 4.155 4.350 -0.001 0.000 0.195 121 E C 1.944 178.539 176.600 -0.008 0.000 0.991 121 E CA 1.582 57.977 56.400 -0.009 0.000 0.810 121 E CB -0.169 29.518 29.700 -0.021 0.000 0.742 121 E HN 0.693 nan 8.360 nan 0.000 0.466 122 R N 0.110 120.595 120.500 -0.025 0.000 2.080 122 R HA -0.176 4.164 4.340 -0.001 0.000 0.236 122 R C 1.358 177.639 176.300 -0.032 0.000 1.137 122 R CA 2.060 58.127 56.100 -0.054 0.000 0.943 122 R CB -0.307 29.943 30.300 -0.084 0.000 0.846 122 R HN 0.198 nan 8.270 nan 0.000 0.431 123 D N -0.063 120.355 120.400 0.031 0.000 2.117 123 D HA -0.163 4.476 4.640 -0.001 0.000 0.197 123 D C 1.566 177.981 176.300 0.192 0.000 0.987 123 D CA 1.384 55.440 54.000 0.093 0.000 0.829 123 D CB -0.660 40.319 40.800 0.299 0.000 0.961 123 D HN 0.332 nan 8.370 nan 0.000 0.460 124 N N 0.300 119.104 118.700 0.174 0.000 2.149 124 N HA -0.134 4.606 4.740 -0.001 0.000 0.188 124 N C 1.774 177.363 175.510 0.131 0.000 1.019 124 N CA 0.845 53.998 53.050 0.171 0.000 0.857 124 N CB -0.251 38.274 38.487 0.063 0.000 0.997 124 N HN 0.121 nan 8.380 nan 0.000 0.426 125 L N -0.061 121.193 121.223 0.053 0.000 2.017 125 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 125 L C 2.256 179.125 176.870 -0.002 0.000 1.073 125 L CA 0.973 55.822 54.840 0.015 0.000 0.745 125 L CB -0.452 41.592 42.059 -0.026 0.000 0.894 125 L HN 0.298 nan 8.230 nan 0.000 0.432 126 L N -1.509 119.679 121.223 -0.060 0.000 2.083 126 L HA -0.240 4.100 4.340 -0.001 0.000 0.209 126 L C 2.494 179.272 176.870 -0.154 0.000 1.083 126 L CA 1.395 56.142 54.840 -0.155 0.000 0.752 126 L CB -0.529 41.372 42.059 -0.264 0.000 0.899 126 L HN 0.143 nan 8.230 nan 0.000 0.433 127 F N 0.001 119.960 119.950 0.016 0.000 2.102 127 F HA -0.182 4.345 4.527 -0.001 0.000 0.298 127 F C 2.753 178.584 175.800 0.051 0.000 1.105 127 F CA 1.197 59.224 58.000 0.046 0.000 1.239 127 F CB -0.245 38.789 39.000 0.057 0.000 0.991 127 F HN -0.118 nan 8.300 nan 0.000 0.474 128 R N -0.015 120.610 120.500 0.208 0.000 2.115 128 R HA -0.083 4.257 4.340 -0.001 0.000 0.230 128 R C 2.400 178.753 176.300 0.088 0.000 1.111 128 R CA 0.944 57.120 56.100 0.126 0.000 0.976 128 R CB -0.608 29.744 30.300 0.087 0.000 0.870 128 R HN 0.269 nan 8.270 nan 0.000 0.445 129 A N 1.204 124.049 122.820 0.042 0.000 1.902 129 A HA -0.145 4.175 4.320 -0.001 0.000 0.217 129 A C 2.351 179.931 177.584 -0.007 0.000 1.181 129 A CA 1.751 53.781 52.037 -0.012 0.000 0.623 129 A CB -0.694 18.255 19.000 -0.084 0.000 0.818 129 A HN 0.391 nan 8.150 nan 0.000 0.443 130 A N -0.645 122.187 122.820 0.021 0.000 1.933 130 A HA 0.028 4.347 4.320 -0.001 0.000 0.218 130 A C 2.211 179.981 177.584 0.310 0.000 1.175 130 A CA 1.726 53.861 52.037 0.164 0.000 0.628 130 A CB -0.822 18.354 19.000 0.293 0.000 0.814 130 A HN 0.383 nan 8.150 nan 0.000 0.444 131 V N 0.017 120.084 119.914 0.255 0.000 2.307 131 V HA -0.257 3.863 4.120 -0.001 0.000 0.245 131 V C 2.650 178.927 176.094 0.304 0.000 1.045 131 V CA 2.179 64.647 62.300 0.280 0.000 1.024 131 V CB -0.795 31.081 31.823 0.088 0.000 0.651 131 V HN 0.520 nan 8.190 nan 0.000 0.449 132 R N -0.313 120.305 120.500 0.195 0.000 2.070 132 R HA -0.069 4.271 4.340 -0.001 0.000 0.233 132 R C 2.346 178.780 176.300 0.225 0.000 1.137 132 R CA 1.393 57.604 56.100 0.185 0.000 0.945 132 R CB -0.513 29.858 30.300 0.118 0.000 0.845 132 R HN 0.401 nan 8.270 nan 0.000 0.430 133 L N 0.260 121.612 121.223 0.216 0.000 2.079 133 L HA -0.209 4.130 4.340 -0.001 0.000 0.210 133 L C 2.536 179.618 176.870 0.354 0.000 1.081 133 L CA 1.503 56.518 54.840 0.293 0.000 0.752 133 L CB -0.339 41.853 42.059 0.222 0.000 0.896 133 L HN 0.302 nan 8.230 nan 0.000 0.433 134 M N -1.875 117.911 119.600 0.311 0.000 2.288 134 M HA -0.083 4.396 4.480 -0.001 0.000 0.266 134 M C 1.130 177.375 176.300 -0.092 0.000 1.072 134 M CA 1.526 56.882 55.300 0.094 0.000 1.132 134 M CB 0.126 32.731 32.600 0.009 0.000 1.386 134 M HN 0.066 nan 8.290 nan 0.000 0.432 135 F N -0.141 119.864 119.950 0.091 0.000 2.647 135 F HA 0.173 4.700 4.527 -0.001 0.000 0.300 135 F C 0.990 176.892 175.800 0.170 0.000 1.106 135 F CA -0.580 57.472 58.000 0.087 0.000 1.313 135 F CB 0.248 39.223 39.000 -0.042 0.000 1.007 135 F HN -0.064 nan 8.300 nan 0.000 0.536 136 S N -1.671 114.172 115.700 0.238 0.000 2.621 136 S HA 0.385 4.855 4.470 -0.001 0.000 0.302 136 S C -0.385 174.266 174.600 0.085 0.000 1.093 136 S CA -0.813 57.487 58.200 0.166 0.000 1.017 136 S CB 1.561 64.855 63.200 0.157 0.000 1.077 136 S HN 0.217 nan 8.310 nan 0.000 0.517 137 D N 0.495 120.918 120.400 0.038 0.000 2.735 137 D HA -0.131 4.508 4.640 -0.001 0.000 0.235 137 D C -0.632 175.664 176.300 -0.007 0.000 1.175 137 D CA 0.772 54.776 54.000 0.007 0.000 0.683 137 D CB -1.554 39.257 40.800 0.018 0.000 1.008 137 D HN 0.576 nan 8.370 nan 0.000 0.416 138 L N 0.349 121.560 121.223 -0.020 0.000 2.357 138 L HA 0.270 4.610 4.340 -0.001 0.000 0.273 138 L C 1.101 177.949 176.870 -0.037 0.000 1.080 138 L CA -0.543 54.278 54.840 -0.032 0.000 0.803 138 L CB 1.023 43.063 42.059 -0.031 0.000 1.174 138 L HN -0.132 nan 8.230 nan 0.000 0.443 139 E N 2.725 122.905 120.200 -0.034 0.000 2.156 139 E HA 0.351 4.700 4.350 -0.001 0.000 0.279 139 E C -2.350 174.242 176.600 -0.015 0.000 0.965 139 E CA -1.991 54.393 56.400 -0.026 0.000 0.789 139 E CB 1.372 31.056 29.700 -0.027 0.000 1.098 139 E HN 0.258 nan 8.360 nan 0.000 0.397 140 P HA 0.025 nan 4.420 nan 0.000 0.268 140 P C -0.458 176.855 177.300 0.021 0.000 1.204 140 P CA -0.140 62.970 63.100 0.017 0.000 0.768 140 P CB 0.691 32.404 31.700 0.022 0.000 0.842 141 V N 0.569 120.505 119.914 0.036 0.000 3.160 141 V HA 0.823 4.943 4.120 -0.001 0.000 0.310 141 V C -2.846 173.281 176.094 0.054 0.000 1.181 141 V CA -2.924 59.398 62.300 0.036 0.000 1.047 141 V CB 1.701 33.541 31.823 0.029 0.000 1.068 141 V HN 0.242 nan 8.190 nan 0.000 0.441 142 P HA 0.400 nan 4.420 nan 0.000 0.282 142 P C -0.522 176.826 177.300 0.081 0.000 1.249 142 P CA -0.471 62.669 63.100 0.067 0.000 0.806 142 P CB 0.793 32.532 31.700 0.065 0.000 0.984 143 L N 3.249 124.520 121.223 0.080 0.000 2.433 143 L HA 0.103 4.443 4.340 -0.001 0.000 0.275 143 L C 0.446 177.389 176.870 0.122 0.000 1.128 143 L CA -0.098 54.796 54.840 0.091 0.000 0.875 143 L CB 0.075 42.170 42.059 0.060 0.000 1.171 143 L HN 0.208 nan 8.230 nan 0.000 0.463 144 K N 6.332 126.815 120.400 0.139 0.000 2.098 144 K HA 0.554 4.873 4.320 -0.001 0.000 0.261 144 K C -0.612 176.080 176.600 0.153 0.000 0.987 144 K CA -0.399 55.981 56.287 0.156 0.000 0.916 144 K CB 1.980 34.596 32.500 0.194 0.000 1.039 144 K HN 0.563 nan 8.250 nan 0.000 0.455 145 I N 2.384 123.035 120.570 0.134 0.000 2.512 145 I HA 0.209 4.379 4.170 -0.001 0.000 0.287 145 I C 0.336 176.479 176.117 0.044 0.000 1.069 145 I CA -1.051 60.313 61.300 0.107 0.000 1.056 145 I CB 1.851 39.904 38.000 0.089 0.000 1.229 145 I HN 0.218 nan 8.210 nan 0.000 0.429 146 R N 5.038 125.548 120.500 0.017 0.000 2.504 146 R HA 0.055 4.394 4.340 -0.001 0.000 0.291 146 R C -0.267 176.010 176.300 -0.038 0.000 0.974 146 R CA 0.258 56.345 56.100 -0.023 0.000 1.077 146 R CB 0.292 30.579 30.300 -0.021 0.000 0.926 146 R HN 0.524 nan 8.270 nan 0.000 0.407 147 K N 1.267 121.648 120.400 -0.032 0.000 2.383 147 K HA 0.100 4.420 4.320 -0.001 0.000 0.286 147 K C 0.911 177.479 176.600 -0.053 0.000 1.051 147 K CA 1.026 57.296 56.287 -0.028 0.000 0.974 147 K CB 0.585 33.087 32.500 0.004 0.000 0.968 147 K HN 0.854 nan 8.250 nan 0.000 0.475 148 G N 1.914 110.674 108.800 -0.066 0.000 2.157 148 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.248 148 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.248 148 G C 0.132 174.986 174.900 -0.076 0.000 0.979 148 G CA 0.319 45.377 45.100 -0.069 0.000 0.650 148 G HN 0.673 nan 8.290 nan 0.000 0.529 149 S N -0.546 115.098 115.700 -0.093 0.000 2.600 149 S HA 0.693 5.162 4.470 -0.001 0.000 0.265 149 S C 0.474 175.003 174.600 -0.119 0.000 1.325 149 S CA 0.480 58.627 58.200 -0.087 0.000 1.002 149 S CB 1.926 65.077 63.200 -0.083 0.000 0.921 149 S HN 1.122 nan 8.310 nan 0.000 0.554 150 S N -0.077 115.572 115.700 -0.085 0.000 2.585 150 S HA 0.405 4.874 4.470 -0.001 0.000 0.277 150 S C 1.372 175.851 174.600 -0.201 0.000 1.241 150 S CA -0.178 57.958 58.200 -0.105 0.000 1.041 150 S CB 0.698 63.887 63.200 -0.018 0.000 0.987 150 S HN 0.945 nan 8.310 nan 0.000 0.512 151 T N 1.077 115.479 114.554 -0.254 0.000 3.148 151 T HA 0.087 4.436 4.350 -0.001 0.000 0.253 151 T C 1.385 175.908 174.700 -0.295 0.000 1.134 151 T CA 0.477 62.438 62.100 -0.231 0.000 1.051 151 T CB -1.375 67.409 68.868 -0.140 0.000 0.959 151 T HN 0.743 nan 8.240 nan 0.000 0.525 152 C N 0.658 119.622 119.300 -0.559 0.000 0.168 152 C HA -0.259 4.201 4.460 -0.001 0.000 0.017 152 C C 1.201 175.296 174.990 -1.491 0.000 0.171 152 C CA -0.316 57.982 59.018 -1.200 0.000 0.499 152 C CB -1.643 25.805 27.740 -0.487 0.000 3.212 152 C HN 0.716 nan 8.230 nan 0.000 1.118 153 I N 3.725 123.748 120.570 -0.912 0.000 2.533 153 I HA 0.162 4.332 4.170 -0.001 0.000 0.284 153 I C -1.176 174.696 176.117 -0.407 0.000 1.109 153 I CA -0.273 60.663 61.300 -0.605 0.000 1.412 153 I CB 0.640 38.418 38.000 -0.370 0.000 1.396 153 I HN 0.585 nan 8.210 nan 0.000 0.543 154 P HA 0.102 nan 4.420 nan 0.000 0.291 154 P C 0.449 177.597 177.300 -0.254 0.000 1.388 154 P CA 0.258 63.110 63.100 -0.413 0.000 1.061 154 P CB 0.367 31.808 31.700 -0.432 0.000 1.534 155 Y N -0.719 119.545 120.300 -0.060 0.000 2.389 155 Y HA 0.279 4.828 4.550 -0.001 0.000 0.292 155 Y C 0.802 176.818 175.900 0.193 0.000 1.117 155 Y CA -0.138 57.998 58.100 0.060 0.000 1.195 155 Y CB -0.879 37.568 38.460 -0.021 0.000 1.076 155 Y HN -0.294 nan 8.280 nan 0.000 0.548 156 F N 0.315 120.301 119.950 0.059 0.000 2.905 156 F HA -0.233 4.294 4.527 -0.001 0.000 0.311 156 F C 0.409 176.206 175.800 -0.006 0.000 1.005 156 F CA 0.382 58.372 58.000 -0.017 0.000 1.029 156 F CB -1.655 37.312 39.000 -0.055 0.000 1.151 156 F HN -0.086 nan 8.300 nan 0.000 0.805 157 S N -0.121 115.613 115.700 0.057 0.000 2.549 157 S HA 0.647 5.117 4.470 -0.001 0.000 0.297 157 S C 0.738 175.305 174.600 -0.056 0.000 1.115 157 S CA -0.494 57.709 58.200 0.005 0.000 1.059 157 S CB 1.022 64.204 63.200 -0.030 0.000 1.046 157 S HN 0.378 nan 8.310 nan 0.000 0.506 158 N N 1.348 120.017 118.700 -0.052 0.000 2.170 158 N HA 0.154 4.894 4.740 -0.001 0.000 0.222 158 N C -1.136 174.322 175.510 -0.086 0.000 1.218 158 N CA -0.329 52.675 53.050 -0.077 0.000 0.889 158 N CB 0.415 38.874 38.487 -0.047 0.000 1.083 158 N HN 0.530 nan 8.380 nan 0.000 0.520 159 D N 0.748 121.097 120.400 -0.085 0.000 2.358 159 D HA 0.023 4.662 4.640 -0.001 0.000 0.258 159 D C 1.218 177.446 176.300 -0.122 0.000 1.223 159 D CA -0.194 53.753 54.000 -0.087 0.000 0.886 159 D CB 0.674 41.428 40.800 -0.077 0.000 1.120 159 D HN -0.066 nan 8.370 nan 0.000 0.482 160 M N 4.091 123.616 119.600 -0.126 0.000 2.108 160 M HA 0.010 4.490 4.480 -0.001 0.000 0.261 160 M C 1.906 178.092 176.300 -0.189 0.000 1.066 160 M CA 2.167 57.359 55.300 -0.179 0.000 1.107 160 M CB -0.766 31.711 32.600 -0.205 0.000 1.356 160 M HN 0.500 nan 8.290 nan 0.000 0.406 161 G N -1.479 107.232 108.800 -0.148 0.000 2.469 161 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.219 161 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.219 161 G C 1.429 176.264 174.900 -0.109 0.000 1.150 161 G CA 1.583 46.609 45.100 -0.122 0.000 0.763 161 G HN 0.528 nan 8.290 nan 0.000 0.561 162 T N 0.454 114.941 114.554 -0.111 0.000 2.942 162 T HA 0.039 4.389 4.350 -0.001 0.000 0.265 162 T C 2.314 176.951 174.700 -0.105 0.000 1.062 162 T CA 0.996 63.030 62.100 -0.110 0.000 1.139 162 T CB -0.014 68.783 68.868 -0.119 0.000 0.883 162 T HN 0.255 nan 8.240 nan 0.000 0.468 163 K N 1.061 121.376 120.400 -0.143 0.000 1.984 163 K HA 0.049 4.368 4.320 -0.001 0.000 0.209 163 K C 2.250 178.828 176.600 -0.035 0.000 1.046 163 K CA 1.084 57.264 56.287 -0.178 0.000 0.934 163 K CB -0.533 31.772 32.500 -0.324 0.000 0.717 163 K HN 0.291 nan 8.250 nan 0.000 0.438 164 I N 1.561 122.091 120.570 -0.067 0.000 2.143 164 I HA -0.346 3.823 4.170 -0.001 0.000 0.245 164 I C 2.561 178.684 176.117 0.009 0.000 1.068 164 I CA 1.504 62.791 61.300 -0.023 0.000 1.326 164 I CB -0.306 37.639 38.000 -0.091 0.000 1.028 164 I HN 0.311 nan 8.210 nan 0.000 0.412 165 E N 0.827 121.015 120.200 -0.020 0.000 2.058 165 E HA -0.239 4.111 4.350 -0.001 0.000 0.194 165 E C 2.267 178.878 176.600 0.019 0.000 0.997 165 E CA 1.531 57.922 56.400 -0.015 0.000 0.801 165 E CB -0.027 29.645 29.700 -0.047 0.000 0.746 165 E HN 0.466 nan 8.360 nan 0.000 0.450 166 I N 0.482 121.083 120.570 0.052 0.000 2.163 166 I HA -0.262 3.908 4.170 -0.001 0.000 0.240 166 I C 2.560 178.759 176.117 0.136 0.000 1.081 166 I CA 0.892 62.263 61.300 0.118 0.000 1.353 166 I CB -0.423 37.702 38.000 0.207 0.000 1.054 166 I HN 0.145 nan 8.210 nan 0.000 0.407 167 A N 0.827 123.777 122.820 0.216 0.000 1.859 167 A HA -0.294 4.025 4.320 -0.001 0.000 0.218 167 A C 2.203 179.790 177.584 0.004 0.000 1.209 167 A CA 2.204 54.311 52.037 0.117 0.000 0.639 167 A CB -0.920 18.209 19.000 0.215 0.000 0.835 167 A HN 0.468 nan 8.150 nan 0.000 0.450 168 E N -1.190 119.023 120.200 0.022 0.000 2.048 168 E HA -0.302 4.048 4.350 -0.001 0.000 0.202 168 E C 2.284 178.879 176.600 -0.008 0.000 1.021 168 E CA 1.649 58.048 56.400 -0.001 0.000 0.825 168 E CB -0.238 29.469 29.700 0.012 0.000 0.756 168 E HN 0.525 nan 8.360 nan 0.000 0.454 169 R N 1.082 121.586 120.500 0.008 0.000 2.117 169 R HA -0.175 4.164 4.340 -0.001 0.000 0.243 169 R C 1.996 178.293 176.300 -0.004 0.000 1.143 169 R CA 1.714 57.822 56.100 0.013 0.000 0.968 169 R CB -0.540 29.780 30.300 0.032 0.000 0.863 169 R HN 0.186 nan 8.270 nan 0.000 0.444 170 A N 0.151 122.959 122.820 -0.020 0.000 1.969 170 A HA -0.011 4.309 4.320 -0.001 0.000 0.218 170 A C 2.152 179.683 177.584 -0.088 0.000 1.169 170 A CA 1.204 53.209 52.037 -0.053 0.000 0.635 170 A CB -0.389 18.560 19.000 -0.086 0.000 0.810 170 A HN 0.364 nan 8.150 nan 0.000 0.445 171 L N -0.893 120.251 121.223 -0.131 0.000 2.217 171 L HA -0.124 4.215 4.340 -0.001 0.000 0.211 171 L C 2.408 179.345 176.870 0.110 0.000 1.107 171 L CA 1.142 55.878 54.840 -0.173 0.000 0.783 171 L CB -0.557 41.321 42.059 -0.302 0.000 0.919 171 L HN 0.482 nan 8.230 nan 0.000 0.442 172 E N 0.116 120.332 120.200 0.026 0.000 2.072 172 E HA -0.138 4.212 4.350 -0.001 0.000 0.190 172 E C 1.608 178.158 176.600 -0.082 0.000 0.982 172 E CA 0.738 57.143 56.400 0.008 0.000 0.803 172 E CB 0.178 29.876 29.700 -0.004 0.000 0.755 172 E HN 0.176 nan 8.360 nan 0.000 0.453 173 K N 0.222 120.533 120.400 -0.148 0.000 2.404 173 K HA 0.219 4.539 4.320 -0.001 0.000 0.194 173 K C 1.563 177.925 176.600 -0.396 0.000 1.023 173 K CA 0.315 56.375 56.287 -0.379 0.000 1.094 173 K CB 0.372 32.518 32.500 -0.591 0.000 0.841 173 K HN 0.047 nan 8.250 nan 0.000 0.523 174 A N 1.619 124.347 122.820 -0.152 0.000 1.903 174 A HA -0.267 4.052 4.320 -0.001 0.000 0.219 174 A C 2.222 179.634 177.584 -0.288 0.000 1.191 174 A CA 2.104 54.140 52.037 -0.001 0.000 0.638 174 A CB -0.411 18.868 19.000 0.466 0.000 0.823 174 A HN 0.469 nan 8.150 nan 0.000 0.451 175 E N -0.339 119.376 120.200 -0.809 0.000 2.051 175 E HA -0.224 4.125 4.350 -0.001 0.000 0.192 175 E C 1.965 178.153 176.600 -0.687 0.000 0.991 175 E CA 1.359 56.850 56.400 -1.515 0.000 0.799 175 E CB -0.170 28.573 29.700 -1.595 0.000 0.748 175 E HN 0.758 nan 8.360 nan 0.000 0.449 176 E N 0.150 120.081 120.200 -0.448 0.000 2.118 176 E HA -0.213 4.137 4.350 -0.001 0.000 0.195 176 E C 2.033 178.554 176.600 -0.132 0.000 0.992 176 E CA 0.869 57.123 56.400 -0.243 0.000 0.804 176 E CB -0.143 29.449 29.700 -0.180 0.000 0.741 176 E HN 0.343 nan 8.360 nan 0.000 0.458 177 A N 1.343 124.067 122.820 -0.160 0.000 1.873 177 A HA -0.082 4.237 4.320 -0.001 0.000 0.215 177 A C 2.474 180.085 177.584 0.046 0.000 1.186 177 A CA 1.677 53.718 52.037 0.007 0.000 0.616 177 A CB -1.147 17.860 19.000 0.011 0.000 0.823 177 A HN 0.354 nan 8.150 nan 0.000 0.442 178 G N -0.084 108.775 108.800 0.099 0.000 2.418 178 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.217 178 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.217 178 G C 1.452 176.446 174.900 0.155 0.000 1.158 178 G CA 1.057 46.289 45.100 0.221 0.000 0.771 178 G HN 0.509 nan 8.290 nan 0.000 0.545 179 N N 0.596 119.363 118.700 0.112 0.000 2.058 179 N HA -0.048 4.692 4.740 -0.001 0.000 0.191 179 N C 2.340 177.848 175.510 -0.002 0.000 1.037 179 N CA 0.754 53.844 53.050 0.067 0.000 0.848 179 N CB -0.528 37.968 38.487 0.015 0.000 1.021 179 N HN 0.269 nan 8.380 nan 0.000 0.422 180 L N 0.844 122.053 121.223 -0.024 0.000 2.021 180 L HA -0.221 4.118 4.340 -0.001 0.000 0.215 180 L C 2.497 179.264 176.870 -0.173 0.000 1.074 180 L CA 1.348 56.151 54.840 -0.061 0.000 0.760 180 L CB -0.319 41.729 42.059 -0.018 0.000 0.889 180 L HN 0.207 nan 8.230 nan 0.000 0.433 181 M N -0.942 118.532 119.600 -0.210 0.000 2.086 181 M HA -0.256 4.223 4.480 -0.001 0.000 0.261 181 M C 2.288 178.356 176.300 -0.388 0.000 1.067 181 M CA 1.762 56.757 55.300 -0.509 0.000 1.116 181 M CB -0.467 31.972 32.600 -0.269 0.000 1.348 181 M HN 0.227 nan 8.290 nan 0.000 0.407 182 L N -0.122 121.024 121.223 -0.128 0.000 2.197 182 L HA -0.263 4.077 4.340 -0.001 0.000 0.215 182 L C 1.961 178.789 176.870 -0.070 0.000 1.095 182 L CA 1.309 56.120 54.840 -0.049 0.000 0.764 182 L CB -0.650 41.429 42.059 0.033 0.000 0.897 182 L HN 0.451 nan 8.230 nan 0.000 0.436 183 Q N -0.671 119.064 119.800 -0.108 0.000 2.360 183 Q HA 0.139 4.479 4.340 -0.001 0.000 0.202 183 Q C 1.450 177.386 176.000 -0.106 0.000 0.915 183 Q CA 0.485 56.241 55.803 -0.078 0.000 0.943 183 Q CB 0.608 29.313 28.738 -0.055 0.000 1.064 183 Q HN 0.544 nan 8.270 nan 0.000 0.511 184 G N 1.828 110.499 108.800 -0.216 0.000 2.162 184 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.260 184 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.260 184 G C 0.151 174.920 174.900 -0.218 0.000 0.976 184 G CA 0.048 45.028 45.100 -0.200 0.000 0.655 184 G HN 0.279 nan 8.290 nan 0.000 0.533 185 K N 0.420 120.658 120.400 -0.270 0.000 2.758 185 K HA 0.433 4.753 4.320 -0.001 0.000 0.250 185 K C 0.945 177.474 176.600 -0.118 0.000 1.268 185 K CA -0.599 55.613 56.287 -0.124 0.000 1.228 185 K CB -0.234 32.225 32.500 -0.068 0.000 1.715 185 K HN 0.321 nan 8.250 nan 0.000 0.334 186 F N 1.080 121.057 119.950 0.044 0.000 2.113 186 F HA -0.205 4.322 4.527 -0.001 0.000 0.297 186 F C 1.906 177.745 175.800 0.064 0.000 1.103 186 F CA 1.128 59.156 58.000 0.047 0.000 1.248 186 F CB 0.075 39.090 39.000 0.024 0.000 0.999 186 F HN 0.301 nan 8.300 nan 0.000 0.475 187 D N 0.335 120.880 120.400 0.241 0.000 2.123 187 D HA -0.172 4.468 4.640 -0.001 0.000 0.196 187 D C 1.778 178.165 176.300 0.144 0.000 0.992 187 D CA 1.487 55.595 54.000 0.180 0.000 0.833 187 D CB -0.539 40.332 40.800 0.119 0.000 0.954 187 D HN 0.218 nan 8.370 nan 0.000 0.455 188 D N 0.463 120.916 120.400 0.087 0.000 2.092 188 D HA -0.114 4.526 4.640 -0.001 0.000 0.193 188 D C 2.054 178.378 176.300 0.040 0.000 0.994 188 D CA 1.485 55.507 54.000 0.036 0.000 0.828 188 D CB -0.481 40.327 40.800 0.014 0.000 0.963 188 D HN 0.141 nan 8.370 nan 0.000 0.450 189 A N 0.089 122.964 122.820 0.092 0.000 1.917 189 A HA -0.259 4.060 4.320 -0.001 0.000 0.219 189 A C 2.242 179.924 177.584 0.163 0.000 1.182 189 A CA 1.680 53.807 52.037 0.150 0.000 0.633 189 A CB -1.103 17.988 19.000 0.152 0.000 0.819 189 A HN 0.387 nan 8.150 nan 0.000 0.448 190 Y N 0.187 120.512 120.300 0.041 0.000 2.220 190 Y HA -0.142 4.408 4.550 -0.001 0.000 0.291 190 Y C 2.427 178.297 175.900 -0.050 0.000 1.129 190 Y CA 2.145 60.242 58.100 -0.005 0.000 1.161 190 Y CB -0.531 37.919 38.460 -0.018 0.000 0.997 190 Y HN 0.416 nan 8.280 nan 0.000 0.522 191 Q N -0.189 119.521 119.800 -0.151 0.000 2.167 191 Q HA -0.096 4.243 4.340 -0.001 0.000 0.202 191 Q C 2.080 177.915 176.000 -0.276 0.000 0.970 191 Q CA 1.822 57.471 55.803 -0.257 0.000 0.855 191 Q CB -0.070 28.606 28.738 -0.104 0.000 0.911 191 Q HN 0.506 nan 8.270 nan 0.000 0.438 192 L N -1.223 119.821 121.223 -0.298 0.000 2.354 192 L HA 0.005 4.344 4.340 -0.001 0.000 0.212 192 L C 1.030 177.449 176.870 -0.752 0.000 1.091 192 L CA 0.520 55.035 54.840 -0.541 0.000 0.828 192 L CB 0.280 41.930 42.059 -0.681 0.000 0.973 192 L HN 0.330 nan 8.230 nan 0.000 0.461 193 H N -1.572 117.458 119.070 -0.068 0.000 3.367 193 H HA 0.193 4.748 4.556 -0.001 0.000 0.257 193 H C 0.009 175.307 175.328 -0.051 0.000 1.201 193 H CA -0.124 55.901 56.048 -0.039 0.000 1.102 193 H CB 0.776 30.530 29.762 -0.014 0.000 1.656 193 H HN 0.047 nan 8.280 nan 0.000 0.662 194 Q N 0.204 119.946 119.800 -0.096 0.000 2.481 194 Q HA -0.172 4.168 4.340 -0.001 0.000 0.272 194 Q C -0.285 175.762 176.000 0.077 0.000 1.157 194 Q CA 0.786 56.485 55.803 -0.173 0.000 0.935 194 Q CB -1.950 26.698 28.738 -0.151 0.000 1.338 194 Q HN 0.483 nan 8.270 nan 0.000 0.494 195 M N -0.058 119.640 119.600 0.163 0.000 2.103 195 M HA 0.557 5.036 4.480 -0.001 0.000 0.350 195 M C 0.829 177.242 176.300 0.189 0.000 1.100 195 M CA 0.320 55.707 55.300 0.145 0.000 1.042 195 M CB 1.067 33.741 32.600 0.123 0.000 1.368 195 M HN 0.418 nan 8.290 nan 0.000 0.404 196 G N 0.852 109.712 108.800 0.100 0.000 2.292 196 G HA2 0.355 4.315 3.960 -0.001 0.000 0.194 196 G HA3 0.355 4.315 3.960 -0.001 0.000 0.194 196 G C -0.051 174.672 174.900 -0.294 0.000 1.329 196 G CA -0.033 45.044 45.100 -0.039 0.000 1.100 196 G HN 0.998 nan 8.290 nan 0.000 0.470 197 G N -0.286 108.130 108.800 -0.640 0.000 3.031 197 G HA2 0.401 4.361 3.960 -0.001 0.000 0.289 197 G HA3 0.401 4.361 3.960 -0.001 0.000 0.289 197 G C 0.844 175.498 174.900 -0.410 0.000 1.393 197 G CA 2.463 47.058 45.100 -0.842 0.000 1.010 197 G HN 2.960 nan 8.290 nan 0.000 0.579 198 A N -2.327 120.299 122.820 -0.323 0.000 2.544 198 A HA 0.678 4.997 4.320 -0.001 0.000 0.291 198 A C -1.057 176.405 177.584 -0.202 0.000 1.055 198 A CA -0.173 51.760 52.037 -0.173 0.000 0.651 198 A CB 0.150 19.143 19.000 -0.012 0.000 1.296 198 A HN 1.478 nan 8.150 nan 0.000 0.431 199 Y N -0.321 119.994 120.300 0.025 0.000 2.326 199 Y HA 0.424 4.974 4.550 -0.001 0.000 0.333 199 Y C -0.064 175.953 175.900 0.194 0.000 1.240 199 Y CA 0.946 59.087 58.100 0.068 0.000 1.365 199 Y CB 0.730 39.202 38.460 0.019 0.000 1.289 199 Y HN 0.616 nan 8.280 nan 0.000 0.548 200 Y N 2.055 122.501 120.300 0.242 0.000 2.342 200 Y HA 0.491 5.040 4.550 -0.001 0.000 0.338 200 Y C -0.862 175.156 175.900 0.196 0.000 0.965 200 Y CA -1.281 56.994 58.100 0.291 0.000 1.159 200 Y CB 0.664 39.326 38.460 0.336 0.000 1.157 200 Y HN 0.317 nan 8.280 nan 0.000 0.486 201 V N 8.380 128.176 119.914 -0.198 0.000 2.372 201 V HA 0.187 4.307 4.120 -0.001 0.000 0.261 201 V C -0.204 175.562 176.094 -0.547 0.000 1.055 201 V CA -0.492 61.594 62.300 -0.356 0.000 0.930 201 V CB 0.513 32.094 31.823 -0.404 0.000 1.031 201 V HN 0.600 nan 8.190 nan 0.000 0.479 202 V N 6.931 126.617 119.914 -0.379 0.000 2.435 202 V HA 0.555 4.674 4.120 -0.001 0.000 0.290 202 V C -0.949 174.946 176.094 -0.333 0.000 1.030 202 V CA -0.455 61.696 62.300 -0.248 0.000 0.881 202 V CB 1.407 33.250 31.823 0.033 0.000 0.983 202 V HN 0.687 nan 8.190 nan 0.000 0.445 203 Y N 7.065 127.334 120.300 -0.050 0.000 2.383 203 Y HA 0.562 5.112 4.550 -0.001 0.000 0.344 203 Y C 0.759 176.633 175.900 -0.045 0.000 0.986 203 Y CA -0.263 57.805 58.100 -0.054 0.000 1.175 203 Y CB 0.848 39.269 38.460 -0.066 0.000 1.152 203 Y HN 0.773 nan 8.280 nan 0.000 0.511 204 R N 1.940 122.489 120.500 0.082 0.000 2.758 204 R HA 0.940 5.280 4.340 -0.001 0.000 0.265 204 R C -1.065 175.211 176.300 -0.039 0.000 1.016 204 R CA -1.046 55.054 56.100 0.000 0.000 1.040 204 R CB 1.231 31.536 30.300 0.010 0.000 1.152 204 R HN 0.599 nan 8.270 nan 0.000 0.503 205 A N 1.395 124.131 122.820 -0.141 0.000 2.306 205 A HA 0.244 4.563 4.320 -0.001 0.000 0.314 205 A C -0.730 176.785 177.584 -0.114 0.000 1.164 205 A CA -0.645 51.312 52.037 -0.133 0.000 0.822 205 A CB 1.123 20.009 19.000 -0.189 0.000 1.130 205 A HN 0.713 nan 8.150 nan 0.000 0.496 206 Q N 1.587 121.329 119.800 -0.096 0.000 2.413 206 Q HA 0.248 4.588 4.340 -0.001 0.000 0.258 206 Q C 0.640 176.550 176.000 -0.149 0.000 1.037 206 Q CA 0.022 55.766 55.803 -0.098 0.000 0.764 206 Q CB 1.220 29.909 28.738 -0.081 0.000 1.217 206 Q HN 0.974 nan 8.270 nan 0.000 0.490 207 S N 1.010 116.637 115.700 -0.122 0.000 2.481 207 S HA -0.036 4.434 4.470 -0.001 0.000 0.231 207 S C 0.740 175.206 174.600 -0.223 0.000 0.996 207 S CA 0.657 58.781 58.200 -0.127 0.000 0.942 207 S CB -0.061 63.131 63.200 -0.014 0.000 0.768 207 S HN 0.576 nan 8.310 nan 0.000 0.520 208 T N 0.014 114.470 114.554 -0.163 0.000 3.009 208 T HA 0.594 4.943 4.350 -0.001 0.000 0.346 208 T C -1.266 173.399 174.700 -0.058 0.000 1.092 208 T CA -0.834 61.229 62.100 -0.062 0.000 1.080 208 T CB 1.494 70.394 68.868 0.053 0.000 1.037 208 T HN 0.025 nan 8.240 nan 0.000 0.487 209 D N 1.713 122.088 120.400 -0.041 0.000 2.506 209 D HA 0.684 5.323 4.640 -0.001 0.000 0.254 209 D C -0.112 176.264 176.300 0.126 0.000 1.089 209 D CA -0.804 53.209 54.000 0.021 0.000 1.050 209 D CB 1.994 42.770 40.800 -0.040 0.000 1.221 209 D HN 0.736 nan 8.370 nan 0.000 0.589 210 A N 0.752 123.602 122.820 0.050 0.000 2.450 210 A HA 0.506 4.826 4.320 -0.001 0.000 0.255 210 A C -0.159 177.432 177.584 0.011 0.000 1.096 210 A CA 0.186 52.243 52.037 0.033 0.000 0.778 210 A CB -0.238 18.763 19.000 0.002 0.000 1.031 210 A HN 0.438 nan 8.150 nan 0.000 0.494 211 I N 2.634 123.232 120.570 0.048 0.000 2.512 211 I HA 0.306 4.476 4.170 -0.001 0.000 0.287 211 I C 0.290 176.529 176.117 0.204 0.000 1.069 211 I CA -0.335 60.974 61.300 0.015 0.000 1.056 211 I CB 2.555 40.513 38.000 -0.070 0.000 1.229 211 I HN 0.780 nan 8.210 nan 0.000 0.429 212 T N 3.210 117.857 114.554 0.155 0.000 2.952 212 T HA 0.704 5.054 4.350 -0.001 0.000 0.286 212 T C -0.741 174.057 174.700 0.164 0.000 1.024 212 T CA -0.786 61.451 62.100 0.228 0.000 1.029 212 T CB 2.189 71.123 68.868 0.110 0.000 1.094 212 T HN 0.295 nan 8.240 nan 0.000 0.515 213 L N 2.099 123.380 121.223 0.096 0.000 2.318 213 L HA 0.441 4.781 4.340 -0.001 0.000 0.277 213 L C -0.557 176.223 176.870 -0.150 0.000 1.008 213 L CA -0.596 54.101 54.840 -0.237 0.000 0.846 213 L CB 0.681 42.492 42.059 -0.414 0.000 1.220 213 L HN 0.788 nan 8.230 nan 0.000 0.423 214 D N 6.849 127.154 120.400 -0.160 0.000 2.363 214 D HA 0.101 4.740 4.640 -0.001 0.000 0.263 214 D C -1.747 174.499 176.300 -0.089 0.000 1.258 214 D CA -1.471 52.477 54.000 -0.087 0.000 0.907 214 D CB 1.748 42.508 40.800 -0.066 0.000 1.107 214 D HN 0.391 nan 8.370 nan 0.000 0.495 215 P HA -0.216 nan 4.420 nan 0.000 0.215 215 P C 1.323 178.597 177.300 -0.044 0.000 1.163 215 P CA 1.845 64.920 63.100 -0.041 0.000 0.894 215 P CB 0.164 31.853 31.700 -0.019 0.000 0.791 216 K N -1.361 119.017 120.400 -0.036 0.000 2.062 216 K HA -0.004 4.315 4.320 -0.001 0.000 0.205 216 K C 1.909 178.485 176.600 -0.040 0.000 1.051 216 K CA 1.630 57.898 56.287 -0.031 0.000 0.941 216 K CB -1.839 30.649 32.500 -0.021 0.000 0.719 216 K HN 0.126 nan 8.250 nan 0.000 0.440 217 T N 0.091 114.615 114.554 -0.050 0.000 2.809 217 T HA 0.058 4.407 4.350 -0.001 0.000 0.260 217 T C 1.469 176.120 174.700 -0.082 0.000 1.039 217 T CA 1.825 63.892 62.100 -0.055 0.000 1.141 217 T CB -0.433 68.405 68.868 -0.051 0.000 0.869 217 T HN 0.592 nan 8.240 nan 0.000 0.437 218 G N 1.439 110.163 108.800 -0.127 0.000 2.205 218 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.261 218 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.261 218 G C 0.120 174.868 174.900 -0.254 0.000 0.980 218 G CA 0.175 45.167 45.100 -0.180 0.000 0.632 218 G HN 0.487 nan 8.290 nan 0.000 0.533 219 K N -0.116 120.172 120.400 -0.188 0.000 2.130 219 K HA 0.580 4.900 4.320 -0.001 0.000 0.268 219 K C -0.005 176.473 176.600 -0.204 0.000 0.983 219 K CA -0.809 55.386 56.287 -0.154 0.000 0.893 219 K CB 0.751 33.240 32.500 -0.018 0.000 1.066 219 K HN 0.048 nan 8.250 nan 0.000 0.450 220 F N 1.051 120.990 119.950 -0.018 0.000 2.506 220 F HA 0.095 4.621 4.527 -0.001 0.000 0.351 220 F C 0.528 176.391 175.800 0.104 0.000 1.136 220 F CA -0.250 57.749 58.000 -0.003 0.000 1.298 220 F CB 0.566 39.580 39.000 0.024 0.000 1.145 220 F HN 0.024 nan 8.300 nan 0.000 0.593 221 V N 2.067 122.080 119.914 0.165 0.000 2.525 221 V HA 0.300 4.420 4.120 -0.001 0.000 0.299 221 V C -0.479 175.467 176.094 -0.248 0.000 1.034 221 V CA -1.025 61.270 62.300 -0.007 0.000 0.863 221 V CB 1.726 33.545 31.823 -0.007 0.000 0.999 221 V HN 0.839 nan 8.190 nan 0.000 0.423 222 S N 3.765 119.124 115.700 -0.569 0.000 2.565 222 S HA 0.510 4.980 4.470 -0.001 0.000 0.274 222 S C -0.214 174.228 174.600 -0.264 0.000 1.309 222 S CA -0.609 57.192 58.200 -0.665 0.000 1.043 222 S CB 1.069 63.639 63.200 -1.051 0.000 0.939 222 S HN 0.724 nan 8.310 nan 0.000 0.504 223 K N 1.444 121.741 120.400 -0.170 0.000 2.448 223 K HA 0.082 4.401 4.320 -0.001 0.000 0.278 223 K C -1.069 175.489 176.600 -0.069 0.000 1.009 223 K CA 0.305 56.542 56.287 -0.084 0.000 0.995 223 K CB -0.044 32.427 32.500 -0.049 0.000 0.917 223 K HN 0.616 nan 8.250 nan 0.000 0.481 224 D N 3.444 123.817 120.400 -0.045 0.000 2.316 224 D HA 0.167 4.807 4.640 -0.001 0.000 0.245 224 D C -0.560 175.718 176.300 -0.037 0.000 1.171 224 D CA -0.101 53.879 54.000 -0.033 0.000 0.856 224 D CB 0.605 41.396 40.800 -0.016 0.000 1.090 224 D HN 0.233 nan 8.370 nan 0.000 0.476 225 R N 3.183 123.655 120.500 -0.047 0.000 2.207 225 R HA 0.304 4.644 4.340 -0.001 0.000 0.334 225 R C -0.053 176.184 176.300 -0.106 0.000 1.013 225 R CA -0.645 55.418 56.100 -0.062 0.000 0.858 225 R CB 0.683 30.949 30.300 -0.057 0.000 1.094 225 R HN 0.406 nan 8.270 nan 0.000 0.457 226 M N 3.160 122.694 119.600 -0.111 0.000 2.211 226 M HA 0.243 4.723 4.480 -0.001 0.000 0.356 226 M C 0.390 176.539 176.300 -0.252 0.000 1.216 226 M CA -0.539 54.654 55.300 -0.178 0.000 1.134 226 M CB 0.991 33.515 32.600 -0.126 0.000 1.564 226 M HN 0.351 nan 8.290 nan 0.000 0.463 227 V N 0.138 119.796 119.914 -0.427 0.000 3.078 227 V HA 1.014 5.133 4.120 -0.001 0.000 0.311 227 V C -0.693 175.090 176.094 -0.517 0.000 1.138 227 V CA -1.167 60.875 62.300 -0.430 0.000 1.007 227 V CB 1.673 33.235 31.823 -0.436 0.000 1.045 227 V HN 0.950 nan 8.190 nan 0.000 0.432 228 A N 2.327 124.967 122.820 -0.300 0.000 2.303 228 A HA 0.829 5.149 4.320 -0.001 0.000 0.317 228 A C -0.326 177.316 177.584 0.095 0.000 1.149 228 A CA -0.229 51.672 52.037 -0.226 0.000 0.822 228 A CB 0.692 19.571 19.000 -0.201 0.000 1.131 228 A HN 1.224 nan 8.150 nan 0.000 0.493 229 D N 0.303 120.809 120.400 0.176 0.000 2.432 229 D HA 0.237 4.876 4.640 -0.001 0.000 0.258 229 D C 0.792 176.976 176.300 -0.193 0.000 1.146 229 D CA -0.738 53.344 54.000 0.136 0.000 1.015 229 D CB 0.106 41.033 40.800 0.212 0.000 1.107 229 D HN 0.353 nan 8.370 nan 0.000 0.529 230 F N 0.422 119.884 119.950 -0.814 0.000 2.063 230 F HA -0.276 4.251 4.527 -0.000 0.000 0.298 230 F C 2.080 177.622 175.800 -0.429 0.000 1.109 230 F CA 1.916 59.259 58.000 -1.096 0.000 1.212 230 F CB 0.025 38.337 39.000 -1.146 0.000 0.973 230 F HN 0.239 nan 8.300 nan 0.000 0.480 231 E N -0.315 119.744 120.200 -0.236 0.000 2.070 231 E HA -0.299 4.051 4.350 -0.001 0.000 0.197 231 E C 2.069 178.549 176.600 -0.200 0.000 1.004 231 E CA 1.851 58.120 56.400 -0.219 0.000 0.805 231 E CB -1.079 28.603 29.700 -0.029 0.000 0.744 231 E HN 0.646 nan 8.360 nan 0.000 0.451 232 Y N 1.047 121.240 120.300 -0.178 0.000 2.053 232 Y HA -0.328 4.222 4.550 -0.001 0.000 0.277 232 Y C 2.405 178.208 175.900 -0.161 0.000 1.159 232 Y CA 2.291 60.321 58.100 -0.116 0.000 1.125 232 Y CB -0.426 38.013 38.460 -0.035 0.000 0.969 232 Y HN 0.069 nan 8.280 nan 0.000 0.492 233 A N -0.464 122.398 122.820 0.069 0.000 1.908 233 A HA -0.236 4.084 4.320 -0.001 0.000 0.218 233 A C 2.227 179.716 177.584 -0.159 0.000 1.181 233 A CA 2.659 54.706 52.037 0.016 0.000 0.627 233 A CB -1.618 17.444 19.000 0.103 0.000 0.818 233 A HN 0.509 nan 8.150 nan 0.000 0.445 234 V N -1.955 117.719 119.914 -0.401 0.000 2.626 234 V HA -0.112 4.008 4.120 -0.001 0.000 0.252 234 V C 2.117 178.062 176.094 -0.248 0.000 1.067 234 V CA 2.141 64.208 62.300 -0.388 0.000 1.081 234 V CB -1.802 29.634 31.823 -0.646 0.000 0.686 234 V HN 0.723 nan 8.190 nan 0.000 0.468 235 T N -3.193 111.214 114.554 -0.245 0.000 3.105 235 T HA 0.461 4.811 4.350 -0.001 0.000 0.253 235 T C 1.539 176.116 174.700 -0.205 0.000 1.047 235 T CA 0.610 62.588 62.100 -0.203 0.000 0.944 235 T CB 0.183 68.928 68.868 -0.204 0.000 1.016 235 T HN 1.452 nan 8.240 nan 0.000 0.544 236 G N 0.896 109.581 108.800 -0.191 0.000 2.168 236 G HA2 0.071 4.031 3.960 -0.001 0.000 0.257 236 G HA3 0.071 4.031 3.960 -0.001 0.000 0.257 236 G C 1.043 175.764 174.900 -0.298 0.000 0.997 236 G CA 0.332 45.333 45.100 -0.164 0.000 0.708 236 G HN 1.875 nan 8.290 nan 0.000 0.520 237 G N -1.592 106.829 108.800 -0.632 0.000 2.131 237 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.223 237 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.223 237 G C 0.813 175.341 174.900 -0.619 0.000 0.990 237 G CA 1.152 45.522 45.100 -1.217 0.000 0.671 237 G HN 0.603 nan 8.290 nan 0.000 0.521 238 E N -0.082 119.891 120.200 -0.379 0.000 2.014 238 E HA 0.032 4.381 4.350 -0.001 0.000 0.190 238 E C 1.662 178.149 176.600 -0.187 0.000 0.980 238 E CA 1.155 57.424 56.400 -0.217 0.000 0.807 238 E CB -0.009 29.599 29.700 -0.153 0.000 0.770 238 E HN 0.663 nan 8.360 nan 0.000 0.451 239 Q N -0.911 118.779 119.800 -0.184 0.000 2.298 239 Q HA 0.513 4.852 4.340 -0.001 0.000 0.181 239 Q C 0.154 176.089 176.000 -0.108 0.000 1.004 239 Q CA 0.246 55.980 55.803 -0.115 0.000 1.050 239 Q CB 0.692 29.380 28.738 -0.084 0.000 1.254 239 Q HN 0.321 nan 8.270 nan 0.000 0.531 240 G N -0.058 108.733 108.800 -0.015 0.000 2.860 240 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.553 240 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.553 240 G C -0.690 174.343 174.900 0.222 0.000 1.439 240 G CA -0.226 44.926 45.100 0.086 0.000 0.879 240 G HN 1.034 nan 8.290 nan 0.000 0.545 241 S N -1.222 114.654 115.700 0.294 0.000 2.542 241 S HA 0.745 5.215 4.470 -0.001 0.000 0.293 241 S C -0.780 174.002 174.600 0.303 0.000 1.089 241 S CA -0.774 57.611 58.200 0.309 0.000 0.961 241 S CB 2.316 65.602 63.200 0.143 0.000 1.062 241 S HN 1.793 nan 8.310 nan 0.000 0.483 242 L N 3.523 124.838 121.223 0.153 0.000 2.298 242 L HA 0.840 5.180 4.340 -0.001 0.000 0.284 242 L C -1.155 175.779 176.870 0.107 0.000 1.013 242 L CA -0.535 54.216 54.840 -0.149 0.000 0.824 242 L CB 0.398 42.214 42.059 -0.406 0.000 1.221 242 L HN 0.840 nan 8.230 nan 0.000 0.418 243 F N 3.120 123.005 119.950 -0.108 0.000 2.754 243 F HA 0.931 5.458 4.527 -0.001 0.000 0.320 243 F C -0.716 175.060 175.800 -0.040 0.000 1.156 243 F CA -1.179 56.792 58.000 -0.049 0.000 0.950 243 F CB 0.771 39.755 39.000 -0.026 0.000 1.388 243 F HN 0.507 nan 8.300 nan 0.000 0.485 244 A N 1.307 124.184 122.820 0.094 0.000 2.320 244 A HA 0.755 5.075 4.320 -0.001 0.000 0.287 244 A C 0.123 177.708 177.584 0.001 0.000 1.181 244 A CA -0.121 51.906 52.037 -0.017 0.000 0.831 244 A CB -0.363 18.667 19.000 0.051 0.000 1.102 244 A HN 1.467 nan 8.150 nan 0.000 0.513 245 A N 2.292 125.035 122.820 -0.129 0.000 2.425 245 A HA 0.495 4.814 4.320 -0.001 0.000 0.242 245 A C 0.779 178.389 177.584 0.044 0.000 1.077 245 A CA 0.345 52.350 52.037 -0.053 0.000 0.781 245 A CB 0.142 19.088 19.000 -0.091 0.000 1.020 245 A HN 1.301 nan 8.150 nan 0.000 0.494 246 S N 0.114 115.864 115.700 0.084 0.000 2.410 246 S HA 0.284 4.754 4.470 -0.001 0.000 0.304 246 S C 0.663 175.333 174.600 0.116 0.000 1.095 246 S CA -0.622 57.639 58.200 0.102 0.000 1.089 246 S CB 0.161 63.425 63.200 0.107 0.000 0.968 246 S HN 0.600 nan 8.310 nan 0.000 0.480 247 K N 2.594 123.077 120.400 0.139 0.000 2.444 247 K HA 0.037 4.357 4.320 -0.001 0.000 0.193 247 K C 0.440 177.213 176.600 0.289 0.000 1.024 247 K CA -0.030 56.382 56.287 0.208 0.000 1.077 247 K CB 0.083 32.700 32.500 0.196 0.000 0.833 247 K HN 0.676 nan 8.250 nan 0.000 0.517 248 D N 0.968 121.505 120.400 0.228 0.000 2.472 248 D HA -0.064 4.575 4.640 -0.001 0.000 0.248 248 D C 0.306 176.679 176.300 0.123 0.000 1.174 248 D CA 0.067 54.183 54.000 0.194 0.000 0.883 248 D CB 1.141 42.021 40.800 0.133 0.000 1.149 248 D HN 0.167 nan 8.370 nan 0.000 0.488 249 A N 3.414 126.269 122.820 0.057 0.000 2.275 249 A HA 0.030 4.350 4.320 -0.001 0.000 0.212 249 A C 2.139 179.702 177.584 -0.035 0.000 1.201 249 A CA -0.049 51.990 52.037 0.004 0.000 0.843 249 A CB 0.132 19.106 19.000 -0.044 0.000 0.873 249 A HN 0.571 nan 8.150 nan 0.000 0.492 250 S N 0.869 116.557 115.700 -0.019 0.000 2.383 250 S HA -0.223 4.246 4.470 -0.001 0.000 0.229 250 S C 2.119 176.710 174.600 -0.014 0.000 1.030 250 S CA 1.620 59.804 58.200 -0.026 0.000 1.002 250 S CB -0.366 62.826 63.200 -0.012 0.000 0.829 250 S HN 0.872 nan 8.310 nan 0.000 0.467 251 R N 1.452 121.959 120.500 0.012 0.000 2.211 251 R HA -0.059 4.280 4.340 -0.001 0.000 0.240 251 R C 1.839 178.163 176.300 0.041 0.000 1.144 251 R CA 1.210 57.326 56.100 0.026 0.000 0.992 251 R CB -0.830 29.506 30.300 0.059 0.000 0.869 251 R HN 0.349 nan 8.270 nan 0.000 0.462 252 L N 0.728 121.956 121.223 0.008 0.000 2.093 252 L HA -0.110 4.230 4.340 -0.001 0.000 0.208 252 L C 2.611 179.492 176.870 0.019 0.000 1.085 252 L CA 1.475 56.309 54.840 -0.010 0.000 0.755 252 L CB -0.462 41.431 42.059 -0.278 0.000 0.904 252 L HN 0.208 nan 8.230 nan 0.000 0.435 253 K N 1.040 121.425 120.400 -0.026 0.000 2.001 253 K HA -0.168 4.152 4.320 -0.001 0.000 0.208 253 K C 1.852 178.444 176.600 -0.013 0.000 1.048 253 K CA 1.577 57.850 56.287 -0.023 0.000 0.932 253 K CB -0.147 32.328 32.500 -0.042 0.000 0.715 253 K HN 0.291 nan 8.250 nan 0.000 0.437 254 E N 0.186 120.371 120.200 -0.024 0.000 2.058 254 E HA -0.235 4.114 4.350 -0.001 0.000 0.194 254 E C 2.337 178.892 176.600 -0.075 0.000 0.997 254 E CA 1.504 57.880 56.400 -0.040 0.000 0.801 254 E CB -0.123 29.554 29.700 -0.038 0.000 0.746 254 E HN 0.430 nan 8.360 nan 0.000 0.450 255 Q N -0.342 119.389 119.800 -0.115 0.000 1.969 255 Q HA -0.090 4.250 4.340 -0.001 0.000 0.198 255 Q C 1.250 177.052 176.000 -0.330 0.000 0.978 255 Q CA 1.338 56.946 55.803 -0.326 0.000 0.830 255 Q CB 0.076 28.454 28.738 -0.599 0.000 0.896 255 Q HN 0.385 nan 8.270 nan 0.000 0.431 256 Y N -1.732 118.577 120.300 0.014 0.000 2.481 256 Y HA 0.326 4.876 4.550 -0.001 0.000 0.247 256 Y C 1.215 177.120 175.900 0.010 0.000 1.151 256 Y CA 0.210 58.330 58.100 0.034 0.000 1.238 256 Y CB 1.148 39.652 38.460 0.074 0.000 1.179 256 Y HN 0.298 nan 8.280 nan 0.000 0.524 257 G N 0.961 109.821 108.800 0.100 0.000 2.184 257 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.264 257 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.264 257 G C 0.268 175.186 174.900 0.031 0.000 0.975 257 G CA 0.139 45.268 45.100 0.048 0.000 0.642 257 G HN 0.319 nan 8.290 nan 0.000 0.536 258 I N 1.433 122.027 120.570 0.040 0.000 2.648 258 I HA 0.121 4.290 4.170 -0.001 0.000 0.284 258 I C 0.312 176.392 176.117 -0.063 0.000 1.153 258 I CA -0.201 61.088 61.300 -0.018 0.000 1.426 258 I CB 0.597 38.554 38.000 -0.072 0.000 1.381 258 I HN 0.044 nan 8.210 nan 0.000 0.571 259 D N 6.319 126.674 120.400 -0.073 0.000 2.317 259 D HA 0.169 4.809 4.640 -0.001 0.000 0.252 259 D C -0.810 175.398 176.300 -0.153 0.000 1.174 259 D CA -0.100 53.840 54.000 -0.100 0.000 0.866 259 D CB 1.365 42.109 40.800 -0.094 0.000 1.127 259 D HN 0.094 nan 8.370 nan 0.000 0.467 260 V N 6.739 126.557 119.914 -0.160 0.000 2.275 260 V HA 0.233 4.353 4.120 -0.001 0.000 0.272 260 V C -1.777 174.178 176.094 -0.231 0.000 1.028 260 V CA -1.344 60.832 62.300 -0.207 0.000 0.810 260 V CB 1.039 32.765 31.823 -0.162 0.000 1.043 260 V HN 0.515 nan 8.190 nan 0.000 0.453 261 P HA 0.112 nan 4.420 nan 0.000 0.271 261 P C -0.387 176.805 177.300 -0.180 0.000 1.238 261 P CA -0.301 62.615 63.100 -0.308 0.000 0.794 261 P CB 0.478 31.857 31.700 -0.534 0.000 0.959 262 D N -0.631 119.728 120.400 -0.068 0.000 2.389 262 D HA 0.364 5.004 4.640 -0.001 0.000 0.247 262 D C 1.047 177.399 176.300 0.086 0.000 1.128 262 D CA 1.206 55.209 54.000 0.006 0.000 0.884 262 D CB -0.150 40.683 40.800 0.054 0.000 1.194 262 D HN 0.635 nan 8.370 nan 0.000 0.441 263 G N 2.134 110.906 108.800 -0.046 0.000 2.137 263 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.237 263 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.237 263 G C -0.219 174.344 174.900 -0.563 0.000 1.002 263 G CA -0.214 44.764 45.100 -0.202 0.000 0.702 263 G HN 0.344 nan 8.290 nan 0.000 0.515 264 F N -0.463 118.965 119.950 -0.869 0.000 2.508 264 F HA 0.852 5.379 4.527 -0.000 0.000 0.325 264 F C 0.242 175.506 175.800 -0.894 0.000 1.090 264 F CA -1.420 56.180 58.000 -0.667 0.000 0.945 264 F CB 1.465 40.258 39.000 -0.346 0.000 1.156 264 F HN -0.009 nan 8.300 nan 0.000 0.463 265 F N 0.123 120.073 119.950 0.000 0.000 2.640 265 F HA 0.574 5.101 4.527 -0.000 0.000 0.324 265 F C -0.138 175.795 175.800 0.222 0.000 1.077 265 F CA -1.356 56.699 58.000 0.091 0.000 0.965 265 F CB 0.617 39.650 39.000 0.054 0.000 1.351 265 F HN 0.271 nan 8.300 nan 0.000 0.487 266 C N 0.947 120.485 119.300 0.397 0.000 2.656 266 C HA 0.238 4.698 4.460 -0.001 0.000 0.391 266 C C 0.517 175.699 174.990 0.320 0.000 1.300 266 C CA -0.622 58.596 59.018 0.334 0.000 2.302 266 C CB -0.255 27.645 27.740 0.268 0.000 2.655 266 C HN 0.680 nan 8.230 nan 0.000 0.656 267 E N 0.652 120.975 120.200 0.204 0.000 2.349 267 E HA 0.220 4.569 4.350 -0.001 0.000 0.265 267 E C 0.227 176.828 176.600 0.003 0.000 1.064 267 E CA -0.347 56.068 56.400 0.024 0.000 0.886 267 E CB 0.594 30.284 29.700 -0.016 0.000 1.036 267 E HN 0.476 nan 8.360 nan 0.000 0.413 268 R N 1.992 122.445 120.500 -0.077 0.000 2.694 268 R HA 0.101 4.441 4.340 -0.001 0.000 0.268 268 R C -0.409 175.869 176.300 -0.035 0.000 1.061 268 R CA 0.144 56.214 56.100 -0.049 0.000 1.133 268 R CB 0.572 30.829 30.300 -0.073 0.000 1.020 268 R HN 0.412 nan 8.270 nan 0.000 0.475 269 R N 3.268 123.759 120.500 -0.014 0.000 2.476 269 R HA 0.294 4.634 4.340 -0.001 0.000 0.305 269 R C -0.770 175.563 176.300 0.055 0.000 0.965 269 R CA -0.903 55.207 56.100 0.018 0.000 0.867 269 R CB 1.706 32.012 30.300 0.010 0.000 1.176 269 R HN 0.608 nan 8.270 nan 0.000 0.447 270 R N 1.479 122.016 120.500 0.063 0.000 2.312 270 R HA 0.179 4.519 4.340 -0.001 0.000 0.311 270 R C 0.476 176.837 176.300 0.101 0.000 1.004 270 R CA -0.515 55.622 56.100 0.061 0.000 0.902 270 R CB 1.267 31.578 30.300 0.019 0.000 1.073 270 R HN 0.571 nan 8.270 nan 0.000 0.457 271 T N -0.675 113.922 114.554 0.073 0.000 2.918 271 T HA 0.518 4.868 4.350 -0.001 0.000 0.302 271 T C -0.041 174.564 174.700 -0.158 0.000 1.045 271 T CA -0.484 61.541 62.100 -0.125 0.000 1.114 271 T CB 0.991 69.785 68.868 -0.124 0.000 0.965 271 T HN 0.634 nan 8.240 nan 0.000 0.540 272 A N 4.176 126.848 122.820 -0.247 0.000 2.422 272 A HA 0.727 5.047 4.320 -0.001 0.000 0.302 272 A C -0.473 177.029 177.584 -0.136 0.000 1.041 272 A CA -1.024 50.934 52.037 -0.132 0.000 0.708 272 A CB 1.495 20.464 19.000 -0.052 0.000 1.257 272 A HN 0.902 nan 8.150 nan 0.000 0.414 273 M N 2.185 121.733 119.600 -0.088 0.000 2.114 273 M HA 0.435 4.915 4.480 -0.001 0.000 0.332 273 M C 0.467 176.855 176.300 0.146 0.000 1.014 273 M CA -0.214 55.073 55.300 -0.021 0.000 0.956 273 M CB 2.041 34.516 32.600 -0.207 0.000 1.551 273 M HN 0.848 nan 8.290 nan 0.000 0.427 274 G N 2.117 111.076 108.800 0.265 0.000 2.333 274 G HA2 0.544 4.503 3.960 -0.001 0.000 0.290 274 G HA3 0.544 4.503 3.960 -0.001 0.000 0.290 274 G C 0.077 175.164 174.900 0.311 0.000 1.150 274 G CA -0.478 44.792 45.100 0.284 0.000 0.895 274 G HN 0.837 nan 8.290 nan 0.000 0.444 275 G N 2.507 111.458 108.800 0.251 0.000 2.444 275 G HA2 0.534 4.494 3.960 -0.001 0.000 0.268 275 G HA3 0.534 4.494 3.960 -0.001 0.000 0.268 275 G C -2.530 172.311 174.900 -0.098 0.000 1.203 275 G CA -1.123 43.986 45.100 0.014 0.000 0.835 275 G HN 0.454 nan 8.290 nan 0.000 0.543 276 P HA 0.048 nan 4.420 nan 0.000 0.266 276 P C 0.207 177.471 177.300 -0.059 0.000 1.215 276 P CA -0.357 62.640 63.100 -0.172 0.000 0.763 276 P CB 0.619 32.200 31.700 -0.198 0.000 0.806 277 F N 4.588 124.456 119.950 -0.136 0.000 2.234 277 F HA -0.118 4.408 4.527 -0.000 0.000 0.299 277 F C 2.142 177.919 175.800 -0.038 0.000 1.087 277 F CA 1.650 59.606 58.000 -0.074 0.000 1.340 277 F CB -0.493 38.469 39.000 -0.063 0.000 1.031 277 F HN 0.349 nan 8.300 nan 0.000 0.500 278 A N -0.230 122.584 122.820 -0.011 0.000 2.019 278 A HA -0.147 4.173 4.320 -0.001 0.000 0.219 278 A C 2.030 179.546 177.584 -0.114 0.000 1.164 278 A CA 1.705 53.712 52.037 -0.050 0.000 0.644 278 A CB -0.938 18.089 19.000 0.045 0.000 0.805 278 A HN 0.464 nan 8.150 nan 0.000 0.449 279 L N -0.248 120.907 121.223 -0.114 0.000 2.202 279 L HA 0.087 4.426 4.340 -0.001 0.000 0.205 279 L C 1.645 178.434 176.870 -0.136 0.000 1.083 279 L CA 1.921 56.704 54.840 -0.096 0.000 0.790 279 L CB -0.738 41.261 42.059 -0.100 0.000 0.942 279 L HN 0.413 nan 8.230 nan 0.000 0.452 280 N N -0.566 118.007 118.700 -0.212 0.000 2.331 280 N HA -0.083 4.657 4.740 -0.001 0.000 0.180 280 N C 1.866 177.219 175.510 -0.262 0.000 1.019 280 N CA 0.767 53.700 53.050 -0.195 0.000 0.881 280 N CB -0.086 38.309 38.487 -0.154 0.000 0.972 280 N HN 0.488 nan 8.380 nan 0.000 0.435 281 A N 2.173 124.692 122.820 -0.502 0.000 1.859 281 A HA -0.121 4.199 4.320 -0.001 0.000 0.217 281 A C -0.301 177.164 177.584 -0.199 0.000 1.198 281 A CA 1.524 53.279 52.037 -0.470 0.000 0.629 281 A CB -1.600 17.075 19.000 -0.542 0.000 0.830 281 A HN 0.165 nan 8.150 nan 0.000 0.446 282 P HA -0.122 nan 4.420 nan 0.000 0.218 282 P C 1.252 178.885 177.300 0.555 0.000 1.148 282 P CA 1.032 64.222 63.100 0.150 0.000 0.822 282 P CB -0.102 31.829 31.700 0.385 0.000 0.784 283 I N -2.231 118.556 120.570 0.361 0.000 2.339 283 I HA -0.135 4.035 4.170 -0.001 0.000 0.245 283 I C 2.317 178.679 176.117 0.409 0.000 1.096 283 I CA 1.212 62.809 61.300 0.495 0.000 1.408 283 I CB -0.500 37.651 38.000 0.251 0.000 1.092 283 I HN -0.143 nan 8.210 nan 0.000 0.423 284 M N 0.560 120.281 119.600 0.203 0.000 2.213 284 M HA -0.176 4.303 4.480 -0.001 0.000 0.263 284 M C 2.447 178.845 176.300 0.163 0.000 1.062 284 M CA 1.852 57.245 55.300 0.156 0.000 1.105 284 M CB -0.463 32.185 32.600 0.079 0.000 1.385 284 M HN 0.298 nan 8.290 nan 0.000 0.417 285 A N -0.469 122.445 122.820 0.156 0.000 2.024 285 A HA -0.087 4.233 4.320 -0.001 0.000 0.220 285 A C 2.114 179.830 177.584 0.219 0.000 1.164 285 A CA 1.675 53.805 52.037 0.155 0.000 0.643 285 A CB -0.634 18.409 19.000 0.073 0.000 0.806 285 A HN 0.353 nan 8.150 nan 0.000 0.451 286 V N -1.414 118.672 119.914 0.287 0.000 2.922 286 V HA 0.061 4.181 4.120 -0.001 0.000 0.242 286 V C 2.828 179.010 176.094 0.147 0.000 1.094 286 V CA 0.994 63.410 62.300 0.194 0.000 1.106 286 V CB -0.738 31.180 31.823 0.159 0.000 0.799 286 V HN 0.527 nan 8.190 nan 0.000 0.474 287 A N 0.186 123.137 122.820 0.217 0.000 1.908 287 A HA -0.312 4.008 4.320 -0.001 0.000 0.218 287 A C 2.158 179.758 177.584 0.027 0.000 1.181 287 A CA 2.458 54.575 52.037 0.134 0.000 0.627 287 A CB -0.499 18.616 19.000 0.191 0.000 0.818 287 A HN 0.503 nan 8.150 nan 0.000 0.445 288 Q N 0.098 119.933 119.800 0.058 0.000 2.046 288 Q HA -0.055 4.285 4.340 -0.001 0.000 0.200 288 Q C -0.667 175.322 176.000 -0.018 0.000 0.975 288 Q CA 2.153 57.975 55.803 0.033 0.000 0.836 288 Q CB -1.337 27.443 28.738 0.069 0.000 0.896 288 Q HN 0.429 nan 8.270 nan 0.000 0.428 289 P HA -0.172 nan 4.420 nan 0.000 0.215 289 P C 1.327 178.554 177.300 -0.122 0.000 1.157 289 P CA 1.476 64.547 63.100 -0.049 0.000 0.874 289 P CB -0.106 31.579 31.700 -0.026 0.000 0.790 290 V N -0.183 119.621 119.914 -0.183 0.000 2.287 290 V HA -0.278 3.842 4.120 -0.001 0.000 0.248 290 V C 2.499 178.380 176.094 -0.356 0.000 1.053 290 V CA 1.892 63.997 62.300 -0.325 0.000 1.027 290 V CB -1.021 30.478 31.823 -0.539 0.000 0.646 290 V HN 0.076 nan 8.190 nan 0.000 0.447 291 R N 0.084 120.384 120.500 -0.333 0.000 2.103 291 R HA -0.185 4.155 4.340 -0.001 0.000 0.242 291 R C 2.267 178.235 176.300 -0.554 0.000 1.142 291 R CA 1.784 57.562 56.100 -0.536 0.000 0.960 291 R CB -0.466 29.686 30.300 -0.246 0.000 0.858 291 R HN 0.546 nan 8.270 nan 0.000 0.439 292 N N 0.781 119.346 118.700 -0.226 0.000 2.120 292 N HA -0.189 4.551 4.740 -0.001 0.000 0.188 292 N C 1.590 177.013 175.510 -0.144 0.000 1.024 292 N CA 1.236 54.219 53.050 -0.111 0.000 0.852 292 N CB -0.190 38.263 38.487 -0.057 0.000 1.003 292 N HN 0.244 nan 8.380 nan 0.000 0.424 293 K N 1.435 121.734 120.400 -0.169 0.000 2.002 293 K HA -0.073 4.247 4.320 -0.001 0.000 0.209 293 K C 2.116 178.646 176.600 -0.117 0.000 1.048 293 K CA 1.298 57.510 56.287 -0.124 0.000 0.930 293 K CB -0.201 32.246 32.500 -0.088 0.000 0.714 293 K HN 0.287 nan 8.250 nan 0.000 0.438 294 I N -1.669 118.781 120.570 -0.200 0.000 2.361 294 I HA -0.201 3.969 4.170 -0.001 0.000 0.251 294 I C 1.294 177.427 176.117 0.028 0.000 1.133 294 I CA 1.196 62.428 61.300 -0.112 0.000 1.413 294 I CB -0.647 37.048 38.000 -0.508 0.000 1.073 294 I HN 0.053 nan 8.210 nan 0.000 0.424 295 Y N 2.261 122.543 120.300 -0.029 0.000 2.561 295 Y HA 0.002 4.552 4.550 -0.001 0.000 0.291 295 Y C 2.801 178.576 175.900 -0.208 0.000 1.141 295 Y CA 0.171 58.234 58.100 -0.062 0.000 1.303 295 Y CB -0.857 37.562 38.460 -0.068 0.000 1.015 295 Y HN 0.443 nan 8.280 nan 0.000 0.547 296 S N -0.413 115.267 115.700 -0.034 0.000 2.460 296 S HA -0.017 4.453 4.470 -0.001 0.000 0.185 296 S C 1.960 176.495 174.600 -0.109 0.000 0.908 296 S CA 0.287 58.427 58.200 -0.100 0.000 0.894 296 S CB -0.458 62.679 63.200 -0.106 0.000 0.855 296 S HN 0.187 nan 8.310 nan 0.000 0.574 297 K N 0.345 120.622 120.400 -0.206 0.000 2.103 297 K HA -0.075 4.244 4.320 -0.001 0.000 0.207 297 K C 0.260 176.584 176.600 -0.460 0.000 1.048 297 K CA 1.310 57.350 56.287 -0.412 0.000 0.930 297 K CB -0.196 31.904 32.500 -0.666 0.000 0.716 297 K HN 0.570 nan 8.250 nan 0.000 0.444 298 Y N -0.589 119.791 120.300 0.132 0.000 2.774 298 Y HA 0.370 4.920 4.550 -0.001 0.000 0.305 298 Y C 1.070 177.071 175.900 0.168 0.000 1.067 298 Y CA -0.344 57.867 58.100 0.186 0.000 1.304 298 Y CB 0.130 38.768 38.460 0.296 0.000 1.209 298 Y HN 0.052 nan 8.280 nan 0.000 0.543 299 A N -0.420 122.514 122.820 0.190 0.000 2.032 299 A HA -0.300 4.020 4.320 -0.001 0.000 0.221 299 A C 1.922 179.578 177.584 0.121 0.000 1.165 299 A CA 1.792 53.929 52.037 0.167 0.000 0.645 299 A CB -0.865 18.186 19.000 0.085 0.000 0.807 299 A HN 0.683 nan 8.150 nan 0.000 0.453 300 Y N 0.763 121.073 120.300 0.017 0.000 2.097 300 Y HA -0.235 4.315 4.550 -0.000 0.000 0.282 300 Y C 2.864 178.733 175.900 -0.051 0.000 1.152 300 Y CA 2.667 60.756 58.100 -0.019 0.000 1.136 300 Y CB -0.350 38.073 38.460 -0.062 0.000 0.975 300 Y HN 0.361 nan 8.280 nan 0.000 0.498 301 T N -2.069 112.428 114.554 -0.096 0.000 3.081 301 T HA 0.039 4.389 4.350 -0.001 0.000 0.250 301 T C 0.994 175.398 174.700 -0.494 0.000 1.100 301 T CA 0.710 62.574 62.100 -0.394 0.000 1.038 301 T CB -0.531 67.920 68.868 -0.694 0.000 0.962 301 T HN 0.350 nan 8.240 nan 0.000 0.516 302 F N -0.556 119.361 119.950 -0.055 0.000 2.778 302 F HA 0.396 4.922 4.527 -0.001 0.000 0.314 302 F C 1.043 176.662 175.800 -0.302 0.000 1.073 302 F CA -0.824 57.145 58.000 -0.052 0.000 1.218 302 F CB 0.551 39.559 39.000 0.014 0.000 1.037 302 F HN 0.229 nan 8.300 nan 0.000 0.594 303 H N 1.942 120.744 119.070 -0.447 0.000 2.623 303 H HA 0.283 4.839 4.556 -0.001 0.000 0.299 303 H C -1.044 173.914 175.328 -0.616 0.000 1.052 303 H CA -0.244 55.522 56.048 -0.471 0.000 1.231 303 H CB 0.156 29.828 29.762 -0.149 0.000 1.389 303 H HN 0.093 nan 8.280 nan 0.000 0.469 304 H N 3.559 122.373 119.070 -0.426 0.000 2.600 304 H HA 0.200 4.756 4.556 -0.001 0.000 0.357 304 H C 0.360 175.468 175.328 -0.367 0.000 1.106 304 H CA -0.369 55.484 56.048 -0.324 0.000 1.193 304 H CB 2.383 32.050 29.762 -0.160 0.000 1.594 304 H HN 0.752 nan 8.280 nan 0.000 0.526 305 T N -1.462 113.000 114.554 -0.154 0.000 3.384 305 T HA 0.041 4.391 4.350 -0.001 0.000 0.151 305 T C 0.863 175.545 174.700 -0.030 0.000 0.896 305 T CA 0.417 62.467 62.100 -0.084 0.000 0.896 305 T CB -0.218 68.532 68.868 -0.196 0.000 1.319 305 T HN 0.541 nan 8.240 nan 0.000 0.293 306 T N 0.479 114.985 114.554 -0.080 0.000 2.868 306 T HA 0.410 4.759 4.350 -0.001 0.000 0.292 306 T C 1.054 175.697 174.700 -0.095 0.000 1.028 306 T CA -0.533 61.523 62.100 -0.075 0.000 1.059 306 T CB 1.049 69.871 68.868 -0.077 0.000 0.991 306 T HN 0.406 nan 8.240 nan 0.000 0.531 307 R N 0.733 121.179 120.500 -0.090 0.000 2.148 307 R HA 0.011 4.351 4.340 -0.001 0.000 0.227 307 R C 1.995 178.284 176.300 -0.018 0.000 1.103 307 R CA 0.701 56.742 56.100 -0.098 0.000 0.983 307 R CB -0.301 29.977 30.300 -0.037 0.000 0.874 307 R HN 0.521 nan 8.270 nan 0.000 0.451 308 L N 1.011 122.223 121.223 -0.019 0.000 2.156 308 L HA -0.118 4.222 4.340 -0.001 0.000 0.208 308 L C 2.059 178.921 176.870 -0.014 0.000 1.095 308 L CA 1.261 56.099 54.840 -0.003 0.000 0.770 308 L CB -1.467 40.581 42.059 -0.018 0.000 0.914 308 L HN 0.218 nan 8.230 nan 0.000 0.439 309 N N 1.187 119.863 118.700 -0.039 0.000 2.061 309 N HA -0.238 4.501 4.740 -0.001 0.000 0.193 309 N C 1.747 177.225 175.510 -0.053 0.000 1.030 309 N CA 1.759 54.783 53.050 -0.044 0.000 0.856 309 N CB 0.109 38.561 38.487 -0.058 0.000 1.023 309 N HN 0.336 nan 8.380 nan 0.000 0.424 310 K N 0.138 120.491 120.400 -0.078 0.000 2.031 310 K HA -0.071 4.249 4.320 -0.001 0.000 0.205 310 K C 2.044 178.688 176.600 0.074 0.000 1.049 310 K CA 1.048 57.280 56.287 -0.092 0.000 0.939 310 K CB -0.218 32.005 32.500 -0.461 0.000 0.717 310 K HN 0.282 nan 8.250 nan 0.000 0.438 311 E N 1.494 121.840 120.200 0.244 0.000 2.097 311 E HA -0.261 4.089 4.350 -0.001 0.000 0.196 311 E C 1.719 178.275 176.600 -0.073 0.000 1.000 311 E CA 1.560 58.026 56.400 0.111 0.000 0.804 311 E CB 0.127 29.885 29.700 0.096 0.000 0.740 311 E HN 0.263 nan 8.360 nan 0.000 0.454 312 E N 0.048 120.216 120.200 -0.054 0.000 2.085 312 E HA -0.219 4.131 4.350 -0.001 0.000 0.194 312 E C 2.083 178.621 176.600 -0.103 0.000 0.994 312 E CA 1.409 57.773 56.400 -0.059 0.000 0.801 312 E CB 0.035 29.721 29.700 -0.024 0.000 0.743 312 E HN 0.188 nan 8.360 nan 0.000 0.453 313 K N 0.077 120.371 120.400 -0.177 0.000 2.062 313 K HA -0.072 4.247 4.320 -0.001 0.000 0.205 313 K C 2.117 178.344 176.600 -0.622 0.000 1.051 313 K CA 0.971 57.106 56.287 -0.252 0.000 0.941 313 K CB 0.087 32.324 32.500 -0.439 0.000 0.719 313 K HN -0.024 nan 8.250 nan 0.000 0.440 314 V N 1.649 121.077 119.914 -0.810 0.000 2.488 314 V HA -0.143 3.977 4.120 -0.001 0.000 0.246 314 V C 1.930 177.612 176.094 -0.685 0.000 1.046 314 V CA 1.347 62.877 62.300 -1.284 0.000 1.053 314 V CB -0.265 31.031 31.823 -0.879 0.000 0.679 314 V HN 0.230 nan 8.190 nan 0.000 0.458 315 K N -0.051 120.130 120.400 -0.366 0.000 2.286 315 K HA -0.185 4.135 4.320 -0.001 0.000 0.203 315 K C 1.800 178.371 176.600 -0.049 0.000 1.045 315 K CA 0.959 57.142 56.287 -0.174 0.000 0.935 315 K CB -0.062 32.364 32.500 -0.122 0.000 0.737 315 K HN 0.401 nan 8.250 nan 0.000 0.460 316 E N -0.713 119.468 120.200 -0.032 0.000 2.502 316 E HA -0.062 4.288 4.350 -0.001 0.000 0.194 316 E C -0.115 176.714 176.600 0.381 0.000 1.062 316 E CA 0.339 56.835 56.400 0.160 0.000 0.867 316 E CB 0.137 29.957 29.700 0.201 0.000 0.888 316 E HN 0.167 nan 8.360 nan 0.000 0.510 317 W N 0.285 121.620 121.300 0.057 0.000 2.375 317 W HA 0.229 4.888 4.660 -0.000 0.000 0.336 317 W C 1.499 178.075 176.519 0.094 0.000 1.160 317 W CA -1.145 56.248 57.345 0.079 0.000 1.266 317 W CB 0.896 30.398 29.460 0.069 0.000 1.195 317 W HN -0.241 nan 8.180 nan 0.000 0.599 318 S N 0.905 116.799 115.700 0.323 0.000 2.486 318 S HA 0.092 4.562 4.470 -0.001 0.000 0.220 318 S C -0.111 174.629 174.600 0.232 0.000 1.011 318 S CA 0.197 58.541 58.200 0.241 0.000 0.921 318 S CB 0.048 63.367 63.200 0.198 0.000 0.785 318 S HN 0.236 nan 8.310 nan 0.000 0.517 319 L N 0.787 122.164 121.223 0.257 0.000 2.464 319 L HA 0.591 4.931 4.340 -0.001 0.000 0.266 319 L C -1.591 175.483 176.870 0.339 0.000 0.965 319 L CA -0.781 54.164 54.840 0.175 0.000 0.833 319 L CB 1.507 43.485 42.059 -0.136 0.000 1.296 319 L HN 0.103 nan 8.230 nan 0.000 0.405 320 C N 5.825 125.305 119.300 0.300 0.000 2.316 320 C HA 0.834 5.294 4.460 -0.001 0.000 0.324 320 C C -0.788 174.254 174.990 0.087 0.000 1.226 320 C CA -0.436 58.806 59.018 0.374 0.000 1.450 320 C CB 0.414 28.406 27.740 0.420 0.000 2.123 320 C HN 0.614 nan 8.230 nan 0.000 0.454 321 V N 6.356 126.293 119.914 0.039 0.000 2.370 321 V HA 0.632 4.752 4.120 -0.001 0.000 0.283 321 V C 0.734 176.800 176.094 -0.046 0.000 1.023 321 V CA -0.140 62.025 62.300 -0.224 0.000 0.857 321 V CB 1.401 33.091 31.823 -0.222 0.000 0.985 321 V HN 1.059 nan 8.190 nan 0.000 0.443 322 A N 4.216 127.031 122.820 -0.008 0.000 2.391 322 A HA 0.611 4.930 4.320 -0.001 0.000 0.316 322 A C 0.703 178.347 177.584 0.101 0.000 1.381 322 A CA -0.297 51.784 52.037 0.072 0.000 0.998 322 A CB -0.101 18.986 19.000 0.145 0.000 1.147 322 A HN 0.907 nan 8.150 nan 0.000 0.545 323 T N 0.276 114.858 114.554 0.047 0.000 2.788 323 T HA 0.627 4.976 4.350 -0.001 0.000 0.280 323 T C -0.420 174.378 174.700 0.164 0.000 0.984 323 T CA -0.121 62.051 62.100 0.120 0.000 0.972 323 T CB 1.105 70.027 68.868 0.089 0.000 1.039 323 T HN 0.755 nan 8.240 nan 0.000 0.530 324 D N -1.411 119.117 120.400 0.213 0.000 2.648 324 D HA 0.382 5.021 4.640 -0.001 0.000 0.244 324 D C -1.493 174.937 176.300 0.217 0.000 1.244 324 D CA -0.719 53.409 54.000 0.213 0.000 0.772 324 D CB 1.369 42.251 40.800 0.136 0.000 1.379 324 D HN 0.513 nan 8.370 nan 0.000 0.428 325 V N 0.636 120.676 119.914 0.210 0.000 2.581 325 V HA 0.579 4.698 4.120 -0.001 0.000 0.303 325 V C 0.386 176.587 176.094 0.178 0.000 1.041 325 V CA -0.831 61.585 62.300 0.193 0.000 0.907 325 V CB 1.587 33.556 31.823 0.243 0.000 0.994 325 V HN 0.730 nan 8.190 nan 0.000 0.442 326 S N 1.922 117.716 115.700 0.156 0.000 2.489 326 S HA 0.330 4.800 4.470 -0.001 0.000 0.277 326 S C 0.200 174.996 174.600 0.327 0.000 1.230 326 S CA -0.315 58.000 58.200 0.192 0.000 1.053 326 S CB 0.707 64.006 63.200 0.166 0.000 0.955 326 S HN 0.884 nan 8.310 nan 0.000 0.488 327 D N 0.987 121.554 120.400 0.277 0.000 2.701 327 D HA -0.266 4.373 4.640 -0.001 0.000 0.235 327 D C 0.576 177.095 176.300 0.365 0.000 1.155 327 D CA 1.098 55.262 54.000 0.273 0.000 0.649 327 D CB -1.619 39.313 40.800 0.219 0.000 1.050 327 D HN 1.038 nan 8.370 nan 0.000 0.425 328 H N 0.025 119.245 119.070 0.251 0.000 2.325 328 H HA -0.181 4.375 4.556 -0.001 0.000 0.293 328 H C 1.412 176.900 175.328 0.266 0.000 1.106 328 H CA 2.710 58.916 56.048 0.262 0.000 1.247 328 H CB 0.170 30.049 29.762 0.195 0.000 1.359 328 H HN 0.197 nan 8.280 nan 0.000 0.488 329 D N -1.034 119.449 120.400 0.138 0.000 2.117 329 D HA -0.118 4.522 4.640 -0.001 0.000 0.198 329 D C 2.372 178.659 176.300 -0.023 0.000 0.982 329 D CA 2.107 56.109 54.000 0.004 0.000 0.828 329 D CB -0.654 40.170 40.800 0.039 0.000 0.967 329 D HN 0.695 nan 8.370 nan 0.000 0.464 330 T N -2.418 112.122 114.554 -0.023 0.000 2.995 330 T HA -0.048 4.302 4.350 -0.001 0.000 0.269 330 T C 1.919 176.538 174.700 -0.135 0.000 1.091 330 T CA 0.524 62.561 62.100 -0.106 0.000 1.128 330 T CB -0.517 68.243 68.868 -0.181 0.000 0.891 330 T HN 0.076 nan 8.240 nan 0.000 0.492 331 F N -0.419 119.534 119.950 0.005 0.000 2.387 331 F HA 0.344 4.870 4.527 -0.000 0.000 0.294 331 F C 0.955 176.737 175.800 -0.030 0.000 1.093 331 F CA -1.409 56.592 58.000 0.002 0.000 1.420 331 F CB -0.007 39.001 39.000 0.014 0.000 1.086 331 F HN 0.146 nan 8.300 nan 0.000 0.531 332 W N 4.738 125.968 121.300 -0.116 0.000 2.551 332 W HA -0.038 4.622 4.660 -0.000 0.000 0.336 332 W C -2.461 173.920 176.519 -0.229 0.000 1.158 332 W CA -1.342 55.853 57.345 -0.251 0.000 1.258 332 W CB -0.033 29.224 29.460 -0.338 0.000 1.157 332 W HN -0.184 nan 8.180 nan 0.000 0.562 333 P HA 0.166 nan 4.420 nan 0.000 0.286 333 P C 0.604 177.365 177.300 -0.898 0.000 1.269 333 P CA -0.035 62.545 63.100 -0.866 0.000 0.787 333 P CB 1.294 32.019 31.700 -1.625 0.000 0.920 334 G N 2.938 111.526 108.800 -0.354 0.000 2.471 334 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.219 334 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.219 334 G C 1.081 175.866 174.900 -0.192 0.000 1.125 334 G CA -0.146 44.860 45.100 -0.156 0.000 0.775 334 G HN 0.690 nan 8.290 nan 0.000 0.548 335 W N 0.073 121.257 121.300 -0.193 0.000 2.392 335 W HA 0.037 4.697 4.660 -0.000 0.000 0.279 335 W C 1.554 177.910 176.519 -0.272 0.000 1.225 335 W CA 0.164 57.394 57.345 -0.192 0.000 1.233 335 W CB -0.858 28.493 29.460 -0.182 0.000 1.122 335 W HN 0.147 nan 8.180 nan 0.000 0.561 336 L N 2.017 122.725 121.223 -0.858 0.000 2.027 336 L HA -0.092 4.247 4.340 -0.001 0.000 0.206 336 L C 3.115 179.810 176.870 -0.292 0.000 1.074 336 L CA 2.169 56.517 54.840 -0.821 0.000 0.745 336 L CB -1.163 40.027 42.059 -1.448 0.000 0.898 336 L HN -0.064 nan 8.230 nan 0.000 0.433 337 R N -0.259 120.131 120.500 -0.183 0.000 2.136 337 R HA -0.250 4.089 4.340 -0.001 0.000 0.242 337 R C 1.911 178.277 176.300 0.110 0.000 1.131 337 R CA 2.470 58.674 56.100 0.173 0.000 0.937 337 R CB -0.687 29.745 30.300 0.220 0.000 0.863 337 R HN 0.463 nan 8.270 nan 0.000 0.435 338 D N 0.743 121.179 120.400 0.061 0.000 2.104 338 D HA -0.211 4.428 4.640 -0.001 0.000 0.194 338 D C 1.999 178.333 176.300 0.057 0.000 0.994 338 D CA 1.341 55.383 54.000 0.070 0.000 0.830 338 D CB -0.400 40.446 40.800 0.076 0.000 0.959 338 D HN 0.331 nan 8.370 nan 0.000 0.452 339 L N 0.728 121.984 121.223 0.055 0.000 2.012 339 L HA -0.175 4.165 4.340 -0.001 0.000 0.210 339 L C 2.418 179.302 176.870 0.023 0.000 1.073 339 L CA 1.144 56.013 54.840 0.049 0.000 0.748 339 L CB -0.229 41.873 42.059 0.071 0.000 0.891 339 L HN -0.046 nan 8.230 nan 0.000 0.431 340 I N -0.736 119.846 120.570 0.020 0.000 2.163 340 I HA -0.401 3.769 4.170 -0.001 0.000 0.243 340 I C 2.622 178.668 176.117 -0.118 0.000 1.085 340 I CA 1.526 62.809 61.300 -0.030 0.000 1.347 340 I CB -0.504 37.525 38.000 0.049 0.000 1.044 340 I HN 0.454 nan 8.210 nan 0.000 0.408 341 C N 0.276 119.558 119.300 -0.029 0.000 2.422 341 C HA -0.175 4.284 4.460 -0.001 0.000 0.279 341 C C 2.485 177.449 174.990 -0.044 0.000 1.305 341 C CA 1.127 60.122 59.018 -0.039 0.000 1.757 341 C CB -1.019 26.758 27.740 0.061 0.000 1.962 341 C HN 0.550 nan 8.230 nan 0.000 0.499 342 D N 0.516 120.907 120.400 -0.015 0.000 2.077 342 D HA -0.156 4.483 4.640 -0.001 0.000 0.196 342 D C 2.128 178.415 176.300 -0.021 0.000 0.986 342 D CA 1.451 55.448 54.000 -0.005 0.000 0.829 342 D CB -0.154 40.654 40.800 0.014 0.000 0.983 342 D HN 0.327 nan 8.370 nan 0.000 0.453 343 E N -0.177 120.006 120.200 -0.029 0.000 2.110 343 E HA -0.111 4.239 4.350 -0.001 0.000 0.193 343 E C 2.165 178.727 176.600 -0.063 0.000 0.988 343 E CA 0.724 57.108 56.400 -0.027 0.000 0.804 343 E CB -0.321 29.375 29.700 -0.007 0.000 0.745 343 E HN 0.368 nan 8.360 nan 0.000 0.458 344 L N -0.201 120.920 121.223 -0.171 0.000 2.079 344 L HA -0.199 4.140 4.340 -0.001 0.000 0.210 344 L C 2.399 179.245 176.870 -0.040 0.000 1.081 344 L CA 0.924 55.606 54.840 -0.263 0.000 0.752 344 L CB -0.383 41.324 42.059 -0.587 0.000 0.896 344 L HN 0.241 nan 8.230 nan 0.000 0.433 345 L N -0.442 120.765 121.223 -0.027 0.000 2.046 345 L HA -0.212 4.128 4.340 -0.001 0.000 0.208 345 L C 2.293 179.182 176.870 0.032 0.000 1.077 345 L CA 1.050 55.903 54.840 0.022 0.000 0.747 345 L CB -0.601 41.466 42.059 0.013 0.000 0.896 345 L HN 0.389 nan 8.230 nan 0.000 0.432 346 N N -0.006 118.708 118.700 0.022 0.000 2.244 346 N HA -0.136 4.604 4.740 -0.001 0.000 0.183 346 N C 1.783 177.316 175.510 0.039 0.000 1.016 346 N CA 1.247 54.312 53.050 0.026 0.000 0.866 346 N CB -0.188 38.311 38.487 0.021 0.000 0.980 346 N HN 0.369 nan 8.380 nan 0.000 0.430 347 M N -0.560 119.080 119.600 0.065 0.000 2.549 347 M HA 0.047 4.527 4.480 -0.001 0.000 0.260 347 M C 0.809 177.148 176.300 0.065 0.000 1.076 347 M CA 0.784 56.141 55.300 0.094 0.000 1.090 347 M CB 0.056 32.765 32.600 0.182 0.000 1.418 347 M HN 0.239 nan 8.290 nan 0.000 0.486 348 G N -0.037 108.797 108.800 0.057 0.000 2.142 348 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.225 348 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.225 348 G C -0.295 174.574 174.900 -0.052 0.000 1.015 348 G CA -0.638 44.461 45.100 -0.003 0.000 0.716 348 G HN 0.417 nan 8.290 nan 0.000 0.508 349 Y N 0.457 120.683 120.300 -0.124 0.000 2.426 349 Y HA 0.408 4.957 4.550 -0.001 0.000 0.344 349 Y C 1.375 177.145 175.900 -0.217 0.000 1.256 349 Y CA 0.482 58.468 58.100 -0.191 0.000 1.451 349 Y CB 0.778 39.129 38.460 -0.182 0.000 1.342 349 Y HN 0.563 nan 8.280 nan 0.000 0.600 350 A N 5.408 128.083 122.820 -0.241 0.000 2.537 350 A HA 0.081 4.401 4.320 -0.001 0.000 0.260 350 A C -1.741 175.635 177.584 -0.345 0.000 1.082 350 A CA -1.071 50.689 52.037 -0.462 0.000 0.765 350 A CB -0.375 17.961 19.000 -1.107 0.000 1.019 350 A HN 0.632 nan 8.150 nan 0.000 0.507 351 P HA -0.203 nan 4.420 nan 0.000 0.217 351 P C 1.547 178.861 177.300 0.023 0.000 1.151 351 P CA 1.949 65.035 63.100 -0.022 0.000 0.849 351 P CB -0.115 31.615 31.700 0.049 0.000 0.787 352 W N -2.526 118.854 121.300 0.133 0.000 2.467 352 W HA -0.041 4.619 4.660 -0.000 0.000 0.275 352 W C 1.774 178.401 176.519 0.179 0.000 1.239 352 W CA 0.034 57.451 57.345 0.120 0.000 1.266 352 W CB -1.617 27.898 29.460 0.091 0.000 1.112 352 W HN 0.050 nan 8.180 nan 0.000 0.576 353 W N 2.047 123.040 121.300 -0.512 0.000 2.494 353 W HA -0.037 4.623 4.660 -0.001 0.000 0.286 353 W C 2.276 178.776 176.519 -0.031 0.000 1.218 353 W CA 1.929 59.093 57.345 -0.302 0.000 1.313 353 W CB -0.518 28.488 29.460 -0.756 0.000 1.105 353 W HN -0.292 nan 8.180 nan 0.000 0.561 354 V N 1.278 121.258 119.914 0.110 0.000 2.490 354 V HA -0.273 3.846 4.120 -0.001 0.000 0.250 354 V C 2.257 178.351 176.094 -0.000 0.000 1.061 354 V CA 2.105 64.421 62.300 0.028 0.000 1.064 354 V CB -0.904 30.947 31.823 0.047 0.000 0.670 354 V HN 0.018 nan 8.190 nan 0.000 0.461 355 K N 0.460 120.885 120.400 0.041 0.000 2.057 355 K HA -0.054 4.266 4.320 -0.001 0.000 0.206 355 K C 1.921 178.554 176.600 0.056 0.000 1.050 355 K CA 1.429 57.764 56.287 0.080 0.000 0.935 355 K CB -0.537 32.034 32.500 0.119 0.000 0.715 355 K HN 0.364 nan 8.250 nan 0.000 0.439 356 L N -0.370 120.857 121.223 0.008 0.000 1.971 356 L HA -0.210 4.130 4.340 -0.001 0.000 0.215 356 L C 2.271 179.044 176.870 -0.161 0.000 1.072 356 L CA 1.792 56.600 54.840 -0.054 0.000 0.758 356 L CB -0.626 41.377 42.059 -0.092 0.000 0.889 356 L HN 0.170 nan 8.230 nan 0.000 0.433 357 F N 0.972 120.606 119.950 -0.527 0.000 2.043 357 F HA -0.325 4.202 4.527 -0.001 0.000 0.297 357 F C 2.680 178.353 175.800 -0.212 0.000 1.121 357 F CA 2.256 59.956 58.000 -0.500 0.000 1.199 357 F CB -0.306 38.227 39.000 -0.779 0.000 0.968 357 F HN 0.128 nan 8.300 nan 0.000 0.478 358 E N -0.676 119.550 120.200 0.043 0.000 2.065 358 E HA -0.279 4.071 4.350 -0.001 0.000 0.201 358 E C 2.066 178.642 176.600 -0.039 0.000 1.016 358 E CA 2.344 58.765 56.400 0.035 0.000 0.818 358 E CB -0.390 29.365 29.700 0.091 0.000 0.749 358 E HN 0.439 nan 8.360 nan 0.000 0.453 359 T N 0.306 114.858 114.554 -0.004 0.000 2.720 359 T HA -0.201 4.149 4.350 -0.001 0.000 0.268 359 T C 2.021 176.678 174.700 -0.072 0.000 1.037 359 T CA 1.713 63.812 62.100 -0.002 0.000 1.144 359 T CB -0.438 68.492 68.868 0.104 0.000 0.864 359 T HN 0.377 nan 8.240 nan 0.000 0.444 360 S N 1.313 116.930 115.700 -0.137 0.000 2.440 360 S HA 0.009 4.479 4.470 -0.001 0.000 0.238 360 S C 1.648 176.210 174.600 -0.062 0.000 1.010 360 S CA 0.803 58.925 58.200 -0.129 0.000 0.972 360 S CB -0.599 62.464 63.200 -0.228 0.000 0.774 360 S HN 0.487 nan 8.310 nan 0.000 0.501 361 L N 0.472 121.605 121.223 -0.150 0.000 2.667 361 L HA 0.324 4.663 4.340 -0.001 0.000 0.232 361 L C 0.888 177.738 176.870 -0.034 0.000 1.138 361 L CA 0.012 54.777 54.840 -0.125 0.000 0.921 361 L CB 0.035 41.991 42.059 -0.171 0.000 1.180 361 L HN 0.362 nan 8.230 nan 0.000 0.487 362 K N -0.420 119.971 120.400 -0.015 0.000 2.644 362 K HA 0.289 4.609 4.320 -0.001 0.000 0.198 362 K C -0.350 176.240 176.600 -0.016 0.000 1.113 362 K CA -0.514 55.766 56.287 -0.012 0.000 1.073 362 K CB 0.922 33.407 32.500 -0.025 0.000 0.811 362 K HN -0.011 nan 8.250 nan 0.000 0.508 363 L N 2.916 124.166 121.223 0.045 0.000 2.395 363 L HA 0.294 4.633 4.340 -0.001 0.000 0.269 363 L C -2.430 174.494 176.870 0.090 0.000 1.133 363 L CA -1.651 53.208 54.840 0.031 0.000 0.812 363 L CB 0.474 42.551 42.059 0.029 0.000 1.125 363 L HN -0.048 nan 8.230 nan 0.000 0.452 364 P HA 0.148 nan 4.420 nan 0.000 0.271 364 P C -1.528 175.865 177.300 0.155 0.000 1.233 364 P CA -0.192 62.960 63.100 0.085 0.000 0.789 364 P CB 0.596 32.335 31.700 0.064 0.000 0.951 365 V N -0.941 119.078 119.914 0.175 0.000 2.604 365 V HA 0.483 4.603 4.120 -0.001 0.000 0.305 365 V C -1.303 174.934 176.094 0.238 0.000 1.043 365 V CA -1.070 61.354 62.300 0.207 0.000 0.888 365 V CB 1.561 33.463 31.823 0.131 0.000 0.995 365 V HN 0.404 nan 8.190 nan 0.000 0.429 366 Y N 4.044 124.440 120.300 0.160 0.000 2.425 366 Y HA 0.640 5.189 4.550 -0.001 0.000 0.347 366 Y C -0.027 175.920 175.900 0.078 0.000 0.976 366 Y CA -0.412 57.807 58.100 0.198 0.000 1.190 366 Y CB 1.343 40.011 38.460 0.347 0.000 1.136 366 Y HN 0.671 nan 8.280 nan 0.000 0.517 367 V N 8.143 127.786 119.914 -0.451 0.000 2.389 367 V HA 0.189 4.309 4.120 -0.001 0.000 0.264 367 V C 0.926 176.665 176.094 -0.593 0.000 1.049 367 V CA 0.636 62.652 62.300 -0.473 0.000 0.932 367 V CB 0.589 32.108 31.823 -0.507 0.000 1.011 367 V HN 1.106 nan 8.190 nan 0.000 0.475 368 G N 3.954 112.551 108.800 -0.339 0.000 2.607 368 G HA2 0.319 4.279 3.960 -0.001 0.000 0.215 368 G HA3 0.319 4.279 3.960 -0.001 0.000 0.215 368 G C 0.475 175.375 174.900 -0.000 0.000 1.275 368 G CA 0.711 45.769 45.100 -0.070 0.000 0.842 368 G HN 1.095 nan 8.290 nan 0.000 0.555 369 A N -0.419 122.420 122.820 0.031 0.000 3.124 369 A HA 0.624 4.944 4.320 -0.001 0.000 0.295 369 A C -2.082 175.494 177.584 -0.014 0.000 1.199 369 A CA -0.489 51.551 52.037 0.006 0.000 0.845 369 A CB 1.001 20.061 19.000 0.100 0.000 1.381 369 A HN 0.126 nan 8.150 nan 0.000 0.537 370 P HA 0.209 nan 4.420 nan 0.000 0.230 370 P C 0.488 177.667 177.300 -0.202 0.000 1.158 370 P CA 1.715 64.503 63.100 -0.520 0.000 0.769 370 P CB 0.369 31.733 31.700 -0.561 0.000 0.807 371 A N -2.276 120.497 122.820 -0.078 0.000 2.567 371 A HA 0.559 4.879 4.320 -0.001 0.000 0.291 371 A C -3.152 174.261 177.584 -0.284 0.000 1.048 371 A CA -1.443 50.416 52.037 -0.298 0.000 0.661 371 A CB 0.149 19.033 19.000 -0.194 0.000 1.288 371 A HN -0.312 nan 8.150 nan 0.000 0.424 372 P HA 0.320 nan 4.420 nan 0.000 0.263 372 P C -0.665 176.571 177.300 -0.107 0.000 1.195 372 P CA 1.021 63.991 63.100 -0.218 0.000 0.762 372 P CB 0.314 31.862 31.700 -0.254 0.000 0.799 373 E N 0.106 120.276 120.200 -0.051 0.000 2.596 373 E HA -0.209 4.141 4.350 -0.001 0.000 0.272 373 E C -0.407 176.170 176.600 -0.038 0.000 1.039 373 E CA 0.932 57.308 56.400 -0.040 0.000 0.804 373 E CB -1.985 27.697 29.700 -0.030 0.000 1.373 373 E HN 0.651 nan 8.360 nan 0.000 0.404 374 Q N -1.395 118.367 119.800 -0.064 0.000 2.426 374 Q HA 0.595 4.934 4.340 -0.001 0.000 0.278 374 Q C 0.289 176.231 176.000 -0.096 0.000 1.007 374 Q CA -0.173 55.639 55.803 0.015 0.000 0.850 374 Q CB 2.577 31.381 28.738 0.108 0.000 1.427 374 Q HN 0.311 nan 8.270 nan 0.000 0.391 375 G N 0.353 109.174 108.800 0.036 0.000 2.358 375 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.198 375 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.198 375 G C -0.897 173.998 174.900 -0.008 0.000 1.220 375 G CA -0.180 44.840 45.100 -0.134 0.000 1.187 375 G HN 0.941 nan 8.290 nan 0.000 0.544 376 H N -0.079 118.927 119.070 -0.107 0.000 2.604 376 H HA -0.082 4.474 4.556 -0.001 0.000 0.321 376 H C -0.348 174.983 175.328 0.005 0.000 1.132 376 H CA 0.669 56.701 56.048 -0.026 0.000 1.129 376 H CB -1.651 28.185 29.762 0.124 0.000 1.526 376 H HN 0.631 nan 8.280 nan 0.000 0.415 377 T N 1.399 115.905 114.554 -0.080 0.000 3.071 377 T HA 0.329 4.678 4.350 -0.001 0.000 0.311 377 T C -0.520 174.263 174.700 0.137 0.000 1.042 377 T CA -0.832 61.371 62.100 0.172 0.000 1.028 377 T CB 1.986 71.086 68.868 0.387 0.000 1.068 377 T HN 0.195 nan 8.240 nan 0.000 0.451 378 L N 4.688 126.123 121.223 0.354 0.000 2.290 378 L HA 0.604 4.944 4.340 -0.001 0.000 0.284 378 L C -1.118 175.967 176.870 0.359 0.000 1.078 378 L CA -0.299 54.793 54.840 0.419 0.000 0.815 378 L CB 0.187 42.568 42.059 0.537 0.000 1.162 378 L HN 0.582 nan 8.230 nan 0.000 0.435 379 L N 6.223 127.616 121.223 0.283 0.000 2.287 379 L HA 0.813 5.153 4.340 -0.001 0.000 0.287 379 L C 0.584 177.553 176.870 0.165 0.000 1.022 379 L CA -0.391 54.570 54.840 0.201 0.000 0.814 379 L CB 0.952 43.120 42.059 0.183 0.000 1.217 379 L HN 0.910 nan 8.230 nan 0.000 0.420 380 G N 2.259 111.135 108.800 0.128 0.000 2.699 380 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.686 380 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.686 380 G C -1.451 173.602 174.900 0.254 0.000 1.301 380 G CA -0.839 44.336 45.100 0.125 0.000 0.816 380 G HN 0.648 nan 8.290 nan 0.000 0.595 381 D N 0.972 121.486 120.400 0.191 0.000 2.303 381 D HA 0.593 5.233 4.640 -0.001 0.000 0.236 381 D C -1.210 175.092 176.300 0.004 0.000 1.068 381 D CA -2.276 51.846 54.000 0.203 0.000 0.830 381 D CB 1.925 42.844 40.800 0.200 0.000 1.109 381 D HN 0.008 nan 8.370 nan 0.000 0.496 382 P HA 0.019 nan 4.420 nan 0.000 0.229 382 P C 1.163 178.368 177.300 -0.159 0.000 1.160 382 P CA 0.449 63.446 63.100 -0.172 0.000 0.777 382 P CB 0.455 32.000 31.700 -0.258 0.000 0.814 383 S N -1.088 114.566 115.700 -0.077 0.000 2.402 383 S HA -0.094 4.375 4.470 -0.001 0.000 0.229 383 S C 1.081 175.683 174.600 0.004 0.000 1.021 383 S CA 0.881 59.089 58.200 0.013 0.000 0.974 383 S CB -0.632 62.588 63.200 0.034 0.000 0.800 383 S HN 0.242 nan 8.310 nan 0.000 0.484 384 N N 1.169 119.806 118.700 -0.104 0.000 2.727 384 N HA 0.230 4.970 4.740 -0.001 0.000 0.252 384 N C -3.315 172.023 175.510 -0.287 0.000 1.283 384 N CA -1.522 51.417 53.050 -0.186 0.000 0.782 384 N CB 1.127 39.613 38.487 -0.002 0.000 1.199 384 N HN 0.000 nan 8.380 nan 0.000 0.520 385 P HA 0.070 nan 4.420 nan 0.000 0.262 385 P C -0.675 176.502 177.300 -0.205 0.000 1.199 385 P CA 0.371 63.260 63.100 -0.353 0.000 0.763 385 P CB 0.461 31.879 31.700 -0.470 0.000 0.790 386 D N 2.043 122.384 120.400 -0.098 0.000 2.822 386 D HA 0.093 4.733 4.640 -0.001 0.000 0.327 386 D C -0.486 175.803 176.300 -0.019 0.000 1.577 386 D CA -0.170 53.803 54.000 -0.046 0.000 0.785 386 D CB -0.697 40.087 40.800 -0.026 0.000 1.199 386 D HN 0.036 nan 8.370 nan 0.000 0.443 387 L N 1.002 122.216 121.223 -0.016 0.000 2.375 387 L HA 0.367 4.707 4.340 -0.001 0.000 0.271 387 L C 0.624 177.497 176.870 0.005 0.000 1.107 387 L CA 0.349 55.189 54.840 0.000 0.000 0.806 387 L CB 1.128 43.194 42.059 0.013 0.000 1.146 387 L HN -0.012 nan 8.230 nan 0.000 0.447 388 E N 2.843 123.048 120.200 0.007 0.000 3.167 388 E HA 0.128 4.478 4.350 -0.001 0.000 0.212 388 E C 0.509 177.114 176.600 0.008 0.000 1.143 388 E CA 0.009 56.419 56.400 0.016 0.000 1.002 388 E CB 1.136 30.848 29.700 0.020 0.000 1.315 388 E HN 0.507 nan 8.360 nan 0.000 0.422 389 V N -0.992 118.919 119.914 -0.005 0.000 3.541 389 V HA 0.340 4.459 4.120 -0.001 0.000 0.267 389 V C 0.928 177.005 176.094 -0.029 0.000 1.213 389 V CA 1.020 63.304 62.300 -0.027 0.000 1.149 389 V CB -0.410 31.378 31.823 -0.058 0.000 0.822 389 V HN 0.582 nan 8.190 nan 0.000 0.462 390 G N 0.464 109.278 108.800 0.023 0.000 2.578 390 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.232 390 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.232 390 G C -0.598 174.296 174.900 -0.009 0.000 1.176 390 G CA -0.067 45.087 45.100 0.091 0.000 0.968 390 G HN 0.556 nan 8.290 nan 0.000 0.583 391 L N 1.572 122.681 121.223 -0.189 0.000 2.272 391 L HA 0.574 4.913 4.340 -0.001 0.000 0.289 391 L C 0.255 176.899 176.870 -0.376 0.000 1.032 391 L CA -0.581 53.964 54.840 -0.492 0.000 0.810 391 L CB 1.585 43.202 42.059 -0.737 0.000 1.205 391 L HN 0.573 nan 8.230 nan 0.000 0.422 392 S N 1.986 117.416 115.700 -0.451 0.000 2.422 392 S HA -0.004 4.466 4.470 -0.001 0.000 0.283 392 S C 1.173 175.510 174.600 -0.438 0.000 1.163 392 S CA -0.087 57.769 58.200 -0.574 0.000 1.054 392 S CB 1.441 63.962 63.200 -1.131 0.000 0.967 392 S HN 0.830 nan 8.310 nan 0.000 0.499 393 S N 3.951 119.471 115.700 -0.300 0.000 2.408 393 S HA -0.205 4.264 4.470 -0.001 0.000 0.241 393 S C 1.434 175.977 174.600 -0.096 0.000 1.080 393 S CA 1.780 59.884 58.200 -0.160 0.000 1.109 393 S CB -0.555 62.582 63.200 -0.105 0.000 0.966 393 S HN 0.918 nan 8.310 nan 0.000 0.449 394 G N 0.550 109.307 108.800 -0.072 0.000 4.294 394 G HA2 0.311 4.271 3.960 -0.001 0.000 0.301 394 G HA3 0.311 4.271 3.960 -0.001 0.000 0.301 394 G C 0.547 175.535 174.900 0.147 0.000 1.321 394 G CA -0.147 44.993 45.100 0.066 0.000 1.190 394 G HN 0.505 nan 8.290 nan 0.000 0.600 395 Q N 0.432 120.257 119.800 0.041 0.000 2.354 395 Q HA 0.133 4.472 4.340 -0.001 0.000 0.203 395 Q C 1.676 177.702 176.000 0.042 0.000 0.933 395 Q CA 1.455 57.301 55.803 0.073 0.000 0.901 395 Q CB 0.096 28.776 28.738 -0.097 0.000 1.007 395 Q HN 0.680 nan 8.270 nan 0.000 0.495 396 G N -0.361 108.469 108.800 0.050 0.000 2.238 396 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.217 396 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.217 396 G C 0.512 175.481 174.900 0.116 0.000 0.996 396 G CA 0.201 45.352 45.100 0.084 0.000 0.632 396 G HN 0.671 nan 8.290 nan 0.000 0.503 397 A N 0.231 123.108 122.820 0.096 0.000 2.568 397 A HA 0.671 4.990 4.320 -0.001 0.000 0.287 397 A C 1.566 179.188 177.584 0.064 0.000 0.967 397 A CA 1.560 53.686 52.037 0.148 0.000 1.004 397 A CB -0.274 18.936 19.000 0.349 0.000 1.233 397 A HN 1.347 nan 8.150 nan 0.000 0.513 398 T N -0.784 113.765 114.554 -0.008 0.000 2.951 398 T HA -0.144 4.206 4.350 -0.001 0.000 0.268 398 T C 1.504 176.189 174.700 -0.026 0.000 1.073 398 T CA 1.741 63.787 62.100 -0.090 0.000 1.134 398 T CB -0.386 68.406 68.868 -0.127 0.000 0.884 398 T HN 0.484 nan 8.240 nan 0.000 0.479 399 D N 2.099 122.516 120.400 0.029 0.000 2.097 399 D HA -0.120 4.520 4.640 -0.001 0.000 0.195 399 D C 2.134 178.472 176.300 0.062 0.000 0.989 399 D CA 1.071 55.105 54.000 0.057 0.000 0.827 399 D CB -0.917 39.934 40.800 0.086 0.000 0.966 399 D HN 0.495 nan 8.370 nan 0.000 0.456 400 L N -0.738 120.517 121.223 0.053 0.000 2.083 400 L HA -0.106 4.234 4.340 -0.001 0.000 0.209 400 L C 2.765 179.732 176.870 0.162 0.000 1.083 400 L CA 0.804 55.675 54.840 0.051 0.000 0.752 400 L CB -0.456 41.627 42.059 0.040 0.000 0.899 400 L HN -0.013 nan 8.230 nan 0.000 0.433 401 M N -0.213 119.486 119.600 0.165 0.000 2.132 401 M HA -0.070 4.410 4.480 -0.001 0.000 0.263 401 M C 2.414 178.966 176.300 0.419 0.000 1.065 401 M CA 1.797 57.249 55.300 0.254 0.000 1.122 401 M CB -1.742 30.770 32.600 -0.147 0.000 1.365 401 M HN 0.306 nan 8.290 nan 0.000 0.411 402 G N -0.453 108.504 108.800 0.261 0.000 2.421 402 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.216 402 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.216 402 G C 1.587 176.696 174.900 0.347 0.000 1.171 402 G CA 1.500 46.842 45.100 0.404 0.000 0.775 402 G HN 0.386 nan 8.290 nan 0.000 0.543 403 T N 1.379 116.074 114.554 0.235 0.000 2.708 403 T HA -0.095 4.255 4.350 -0.001 0.000 0.266 403 T C 2.211 177.089 174.700 0.297 0.000 1.037 403 T CA 0.915 63.149 62.100 0.224 0.000 1.146 403 T CB -0.286 68.603 68.868 0.036 0.000 0.865 403 T HN 0.044 nan 8.240 nan 0.000 0.435 404 L N 1.200 122.603 121.223 0.300 0.000 1.963 404 L HA -0.128 4.212 4.340 -0.001 0.000 0.220 404 L C 2.439 179.567 176.870 0.431 0.000 1.076 404 L CA 1.965 57.037 54.840 0.387 0.000 0.772 404 L CB -1.404 40.900 42.059 0.408 0.000 0.892 404 L HN 0.275 nan 8.230 nan 0.000 0.435 405 L N -0.189 121.293 121.223 0.431 0.000 1.963 405 L HA -0.286 4.053 4.340 -0.001 0.000 0.220 405 L C 2.518 179.574 176.870 0.311 0.000 1.076 405 L CA 2.238 57.285 54.840 0.346 0.000 0.772 405 L CB -0.653 41.551 42.059 0.242 0.000 0.892 405 L HN 0.279 nan 8.230 nan 0.000 0.435 406 M N -1.519 118.254 119.600 0.289 0.000 2.254 406 M HA -0.075 4.404 4.480 -0.001 0.000 0.265 406 M C 2.536 178.951 176.300 0.193 0.000 1.066 406 M CA 1.496 56.849 55.300 0.089 0.000 1.123 406 M CB -1.584 31.077 32.600 0.101 0.000 1.388 406 M HN 0.444 nan 8.290 nan 0.000 0.425 407 S N 0.833 116.783 115.700 0.417 0.000 2.356 407 S HA -0.070 4.400 4.470 -0.001 0.000 0.223 407 S C 1.870 176.748 174.600 0.463 0.000 1.032 407 S CA 0.886 59.433 58.200 0.578 0.000 1.005 407 S CB 0.076 63.739 63.200 0.771 0.000 0.867 407 S HN 0.231 nan 8.310 nan 0.000 0.449 408 I N 1.607 122.340 120.570 0.272 0.000 2.163 408 I HA -0.097 4.073 4.170 -0.001 0.000 0.240 408 I C 2.529 178.633 176.117 -0.023 0.000 1.081 408 I CA 1.459 62.733 61.300 -0.044 0.000 1.353 408 I CB -2.211 35.432 38.000 -0.595 0.000 1.054 408 I HN 0.284 nan 8.210 nan 0.000 0.407 409 T N 0.935 115.525 114.554 0.060 0.000 2.624 409 T HA -0.272 4.078 4.350 -0.001 0.000 0.266 409 T C 1.916 176.722 174.700 0.176 0.000 1.050 409 T CA 2.062 64.266 62.100 0.174 0.000 1.163 409 T CB -0.548 68.377 68.868 0.095 0.000 0.861 409 T HN 0.154 nan 8.240 nan 0.000 0.443 410 Y N 0.785 121.215 120.300 0.217 0.000 2.145 410 Y HA -0.011 4.539 4.550 -0.001 0.000 0.286 410 Y C 2.243 178.222 175.900 0.132 0.000 1.145 410 Y CA 0.259 58.474 58.100 0.190 0.000 1.148 410 Y CB -1.130 37.451 38.460 0.202 0.000 0.981 410 Y HN 0.134 nan 8.280 nan 0.000 0.507 411 L N -0.514 120.863 121.223 0.257 0.000 2.012 411 L HA -0.169 4.171 4.340 -0.001 0.000 0.210 411 L C 2.228 179.089 176.870 -0.015 0.000 1.073 411 L CA 1.526 56.361 54.840 -0.008 0.000 0.748 411 L CB -1.081 40.830 42.059 -0.246 0.000 0.891 411 L HN 0.030 nan 8.230 nan 0.000 0.431 412 V N -0.208 119.722 119.914 0.026 0.000 2.282 412 V HA -0.407 3.713 4.120 -0.001 0.000 0.249 412 V C 2.671 178.829 176.094 0.106 0.000 1.057 412 V CA 2.450 64.777 62.300 0.046 0.000 1.032 412 V CB -0.698 31.202 31.823 0.128 0.000 0.645 412 V HN 0.626 nan 8.190 nan 0.000 0.447 413 M N -0.703 119.018 119.600 0.203 0.000 2.082 413 M HA -0.330 4.150 4.480 -0.001 0.000 0.258 413 M C 2.409 178.896 176.300 0.311 0.000 1.069 413 M CA 2.106 57.586 55.300 0.301 0.000 1.102 413 M CB -0.223 32.592 32.600 0.359 0.000 1.336 413 M HN 0.386 nan 8.290 nan 0.000 0.404 414 Q N -0.055 119.889 119.800 0.241 0.000 2.050 414 Q HA -0.190 4.150 4.340 -0.001 0.000 0.202 414 Q C 2.002 178.103 176.000 0.169 0.000 0.980 414 Q CA 1.826 57.777 55.803 0.248 0.000 0.840 414 Q CB -0.226 28.539 28.738 0.045 0.000 0.898 414 Q HN 0.562 nan 8.270 nan 0.000 0.424 415 L N 0.652 121.898 121.223 0.038 0.000 1.943 415 L HA -0.257 4.082 4.340 -0.001 0.000 0.215 415 L C 2.007 178.864 176.870 -0.022 0.000 1.074 415 L CA 1.266 56.084 54.840 -0.036 0.000 0.759 415 L CB -0.739 41.247 42.059 -0.121 0.000 0.888 415 L HN 0.191 nan 8.230 nan 0.000 0.433 416 D N -0.792 119.573 120.400 -0.059 0.000 2.200 416 D HA -0.237 4.402 4.640 -0.001 0.000 0.192 416 D C 2.047 178.190 176.300 -0.261 0.000 1.008 416 D CA 1.698 55.579 54.000 -0.198 0.000 0.872 416 D CB -0.260 40.354 40.800 -0.311 0.000 0.923 416 D HN 0.478 nan 8.370 nan 0.000 0.447 417 H N -1.987 117.134 119.070 0.085 0.000 2.639 417 H HA 0.159 4.715 4.556 -0.001 0.000 0.267 417 H C 1.782 177.174 175.328 0.108 0.000 0.958 417 H CA 1.493 57.595 56.048 0.091 0.000 1.221 417 H CB 0.905 30.729 29.762 0.102 0.000 1.446 417 H HN 0.300 nan 8.280 nan 0.000 0.512 418 T N -3.314 111.394 114.554 0.256 0.000 2.992 418 T HA 0.415 4.765 4.350 -0.001 0.000 0.255 418 T C 0.981 175.840 174.700 0.265 0.000 0.938 418 T CA 0.313 62.577 62.100 0.275 0.000 0.895 418 T CB 0.370 69.513 68.868 0.459 0.000 1.221 418 T HN 0.145 nan 8.240 nan 0.000 0.512 419 A N 1.875 124.780 122.820 0.142 0.000 3.176 419 A HA 0.677 4.997 4.320 -0.001 0.000 0.265 419 A C -2.043 175.388 177.584 -0.254 0.000 0.936 419 A CA -0.968 51.031 52.037 -0.063 0.000 1.033 419 A CB 0.522 19.444 19.000 -0.129 0.000 1.158 419 A HN 0.209 nan 8.150 nan 0.000 0.485 420 P HA -0.229 nan 4.420 nan 0.000 0.216 420 P C 1.276 178.520 177.300 -0.093 0.000 1.150 420 P CA 1.544 64.605 63.100 -0.065 0.000 0.837 420 P CB -0.242 31.472 31.700 0.023 0.000 0.786 421 H N -1.202 117.864 119.070 -0.006 0.000 2.566 421 H HA 0.008 4.564 4.556 -0.001 0.000 0.285 421 H C 1.319 176.636 175.328 -0.019 0.000 1.041 421 H CA 0.637 56.681 56.048 -0.006 0.000 1.207 421 H CB -1.029 28.743 29.762 0.017 0.000 1.353 421 H HN 0.238 nan 8.280 nan 0.000 0.604 422 L N 0.082 121.079 121.223 -0.377 0.000 2.590 422 L HA 0.040 4.380 4.340 -0.001 0.000 0.227 422 L C 1.568 178.235 176.870 -0.338 0.000 1.099 422 L CA -0.046 54.602 54.840 -0.320 0.000 0.872 422 L CB 0.008 41.851 42.059 -0.360 0.000 1.088 422 L HN 0.137 nan 8.230 nan 0.000 0.479 423 N N 0.407 118.946 118.700 -0.269 0.000 2.188 423 N HA -0.158 4.582 4.740 -0.001 0.000 0.184 423 N C 1.968 177.355 175.510 -0.205 0.000 1.018 423 N CA 1.626 54.521 53.050 -0.258 0.000 0.858 423 N CB -0.178 38.202 38.487 -0.178 0.000 0.989 423 N HN 0.298 nan 8.380 nan 0.000 0.426 424 S N 0.877 116.495 115.700 -0.136 0.000 2.520 424 S HA -0.064 4.406 4.470 -0.001 0.000 0.249 424 S C 1.549 176.089 174.600 -0.101 0.000 0.983 424 S CA 0.665 58.810 58.200 -0.092 0.000 0.958 424 S CB -0.195 62.977 63.200 -0.046 0.000 0.750 424 S HN 0.304 nan 8.310 nan 0.000 0.527 425 R N 0.009 120.411 120.500 -0.164 0.000 2.312 425 R HA 0.405 4.744 4.340 -0.001 0.000 0.205 425 R C -0.166 176.023 176.300 -0.185 0.000 0.904 425 R CA 0.257 56.274 56.100 -0.138 0.000 1.052 425 R CB 0.132 30.369 30.300 -0.105 0.000 1.014 425 R HN 0.467 nan 8.270 nan 0.000 0.503 426 I N 1.141 121.563 120.570 -0.248 0.000 2.621 426 I HA 0.171 4.341 4.170 -0.001 0.000 0.276 426 I C 0.248 176.283 176.117 -0.136 0.000 1.118 426 I CA -0.140 61.027 61.300 -0.221 0.000 1.159 426 I CB 1.299 39.097 38.000 -0.336 0.000 1.357 426 I HN -0.098 nan 8.210 nan 0.000 0.513 427 K N 1.723 122.071 120.400 -0.087 0.000 2.306 427 K HA 0.156 4.475 4.320 -0.001 0.000 0.200 427 K C 0.005 176.579 176.600 -0.043 0.000 1.083 427 K CA 0.372 56.623 56.287 -0.060 0.000 0.959 427 K CB 0.292 32.766 32.500 -0.044 0.000 0.994 427 K HN 0.558 nan 8.250 nan 0.000 0.492 428 D N -1.588 118.792 120.400 -0.034 0.000 2.801 428 D HA 0.166 4.805 4.640 -0.001 0.000 0.277 428 D C 0.782 177.073 176.300 -0.015 0.000 1.125 428 D CA -0.702 53.286 54.000 -0.020 0.000 1.102 428 D CB 0.209 41.003 40.800 -0.010 0.000 1.400 428 D HN -0.344 nan 8.370 nan 0.000 0.601 429 M N -0.607 118.991 119.600 -0.003 0.000 2.077 429 M HA 0.042 4.522 4.480 -0.001 0.000 0.261 429 M C -1.042 175.264 176.300 0.010 0.000 1.070 429 M CA 1.463 56.766 55.300 0.004 0.000 1.125 429 M CB -2.160 30.448 32.600 0.013 0.000 1.339 429 M HN 0.329 nan 8.290 nan 0.000 0.409 430 P HA -0.076 nan 4.420 nan 0.000 0.216 430 P C 1.641 178.957 177.300 0.027 0.000 1.153 430 P CA 1.927 65.041 63.100 0.023 0.000 0.848 430 P CB -0.291 31.421 31.700 0.021 0.000 0.787 431 S N -0.428 115.283 115.700 0.018 0.000 2.383 431 S HA -0.108 4.362 4.470 -0.001 0.000 0.227 431 S C 2.107 176.730 174.600 0.038 0.000 1.026 431 S CA 1.160 59.374 58.200 0.024 0.000 0.981 431 S CB -1.462 61.738 63.200 0.000 0.000 0.818 431 S HN 0.111 nan 8.310 nan 0.000 0.472 432 A N 1.142 123.968 122.820 0.009 0.000 1.873 432 A HA -0.040 4.280 4.320 -0.001 0.000 0.215 432 A C 2.536 180.140 177.584 0.034 0.000 1.186 432 A CA 1.439 53.479 52.037 0.005 0.000 0.616 432 A CB -1.566 17.413 19.000 -0.034 0.000 0.823 432 A HN 0.696 nan 8.150 nan 0.000 0.442 433 C N -0.707 118.602 119.300 0.016 0.000 2.413 433 C HA -0.133 4.327 4.460 -0.001 0.000 0.277 433 C C 2.874 177.879 174.990 0.025 0.000 1.228 433 C CA 1.239 60.260 59.018 0.005 0.000 1.731 433 C CB -1.413 26.346 27.740 0.031 0.000 2.042 433 C HN 0.601 nan 8.230 nan 0.000 0.468 434 R N -0.405 120.130 120.500 0.059 0.000 2.096 434 R HA -0.143 4.197 4.340 -0.001 0.000 0.235 434 R C 2.097 178.440 176.300 0.072 0.000 1.127 434 R CA 1.679 57.822 56.100 0.071 0.000 0.968 434 R CB -0.618 29.726 30.300 0.073 0.000 0.861 434 R HN 0.603 nan 8.270 nan 0.000 0.440 435 F N 1.429 121.350 119.950 -0.047 0.000 2.075 435 F HA -0.198 4.329 4.527 -0.000 0.000 0.297 435 F C 2.065 177.806 175.800 -0.099 0.000 1.113 435 F CA 1.214 59.174 58.000 -0.067 0.000 1.218 435 F CB -0.348 38.587 39.000 -0.108 0.000 0.984 435 F HN -0.092 nan 8.300 nan 0.000 0.472 436 L N 1.014 122.182 121.223 -0.092 0.000 2.042 436 L HA -0.230 4.110 4.340 -0.001 0.000 0.210 436 L C 1.999 178.636 176.870 -0.389 0.000 1.076 436 L CA 2.468 57.074 54.840 -0.390 0.000 0.749 436 L CB -1.321 40.416 42.059 -0.537 0.000 0.893 436 L HN 0.355 nan 8.230 nan 0.000 0.432 437 D N -1.860 118.448 120.400 -0.154 0.000 2.123 437 D HA -0.236 4.404 4.640 -0.001 0.000 0.196 437 D C 2.297 178.674 176.300 0.128 0.000 0.992 437 D CA 1.496 55.558 54.000 0.104 0.000 0.833 437 D CB -0.049 40.866 40.800 0.192 0.000 0.954 437 D HN 0.384 nan 8.370 nan 0.000 0.455 438 S N -1.797 113.895 115.700 -0.014 0.000 2.355 438 S HA -0.201 4.269 4.470 -0.001 0.000 0.222 438 S C 1.927 176.449 174.600 -0.129 0.000 1.031 438 S CA 1.051 59.243 58.200 -0.012 0.000 0.993 438 S CB -0.804 62.353 63.200 -0.071 0.000 0.859 438 S HN 0.541 nan 8.310 nan 0.000 0.453 439 Y N 0.498 120.523 120.300 -0.458 0.000 2.081 439 Y HA -0.219 4.331 4.550 -0.000 0.000 0.280 439 Y C 2.026 177.846 175.900 -0.133 0.000 1.163 439 Y CA 2.289 60.126 58.100 -0.437 0.000 1.135 439 Y CB -0.414 37.676 38.460 -0.616 0.000 0.970 439 Y HN 0.370 nan 8.280 nan 0.000 0.498 440 W N 1.109 122.254 121.300 -0.258 0.000 2.374 440 W HA -0.168 4.492 4.660 -0.000 0.000 0.288 440 W C 2.264 178.700 176.519 -0.138 0.000 1.218 440 W CA 1.380 58.569 57.345 -0.260 0.000 1.245 440 W CB -0.940 28.407 29.460 -0.189 0.000 1.126 440 W HN 0.357 nan 8.180 nan 0.000 0.545 441 Q N -0.879 118.955 119.800 0.057 0.000 2.436 441 Q HA 0.099 4.438 4.340 -0.001 0.000 0.209 441 Q C 1.552 177.095 176.000 -0.763 0.000 0.965 441 Q CA 1.118 56.772 55.803 -0.249 0.000 0.910 441 Q CB -0.278 28.219 28.738 -0.403 0.000 0.980 441 Q HN 0.330 nan 8.270 nan 0.000 0.491 442 G N 0.670 108.979 108.800 -0.818 0.000 2.140 442 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.211 442 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.211 442 G C -0.008 174.501 174.900 -0.652 0.000 1.013 442 G CA 0.130 44.525 45.100 -1.175 0.000 0.705 442 G HN 0.578 nan 8.290 nan 0.000 0.508 443 H N -0.286 118.603 119.070 -0.302 0.000 2.551 443 H HA 0.251 4.807 4.556 -0.001 0.000 0.271 443 H C 1.126 176.372 175.328 -0.137 0.000 0.984 443 H CA 0.172 56.113 56.048 -0.180 0.000 1.164 443 H CB 0.606 30.298 29.762 -0.115 0.000 1.437 443 H HN 0.395 nan 8.280 nan 0.000 0.550 444 E N 0.606 120.764 120.200 -0.070 0.000 2.284 444 E HA 0.014 4.364 4.350 -0.001 0.000 0.255 444 E C 0.845 177.419 176.600 -0.043 0.000 1.052 444 E CA -0.260 56.120 56.400 -0.034 0.000 0.904 444 E CB 1.331 31.006 29.700 -0.041 0.000 1.217 444 E HN 0.372 nan 8.360 nan 0.000 0.438 445 E N 0.625 120.829 120.200 0.006 0.000 2.216 445 E HA -0.051 4.299 4.350 -0.001 0.000 0.192 445 E C 0.572 177.109 176.600 -0.106 0.000 0.988 445 E CA 0.367 56.773 56.400 0.009 0.000 0.834 445 E CB 0.038 29.807 29.700 0.114 0.000 0.772 445 E HN 0.440 nan 8.360 nan 0.000 0.479 446 I N -0.497 119.984 120.570 -0.147 0.000 2.392 446 I HA 0.507 4.677 4.170 -0.001 0.000 0.295 446 I C -0.248 175.703 176.117 -0.276 0.000 0.985 446 I CA -1.007 60.054 61.300 -0.397 0.000 1.221 446 I CB 1.556 39.350 38.000 -0.343 0.000 1.366 446 I HN -0.158 nan 8.210 nan 0.000 0.467 447 R N 4.096 124.237 120.500 -0.598 0.000 2.888 447 R HA 0.618 4.958 4.340 -0.001 0.000 0.264 447 R C -1.361 174.605 176.300 -0.556 0.000 1.045 447 R CA -0.959 54.808 56.100 -0.556 0.000 0.962 447 R CB 2.468 32.430 30.300 -0.564 0.000 1.210 447 R HN 0.808 nan 8.270 nan 0.000 0.479 448 Q N 1.753 121.365 119.800 -0.312 0.000 2.386 448 Q HA 0.454 4.794 4.340 -0.001 0.000 0.274 448 Q C -1.691 174.268 176.000 -0.070 0.000 1.011 448 Q CA -0.749 54.943 55.803 -0.185 0.000 0.867 448 Q CB 2.057 30.729 28.738 -0.110 0.000 1.409 448 Q HN 0.691 nan 8.270 nan 0.000 0.395 449 I N 0.473 120.969 120.570 -0.122 0.000 2.509 449 I HA 0.874 5.044 4.170 -0.001 0.000 0.293 449 I C -0.823 175.108 176.117 -0.310 0.000 1.020 449 I CA -0.717 60.414 61.300 -0.282 0.000 1.088 449 I CB 2.173 39.804 38.000 -0.615 0.000 1.267 449 I HN 0.746 nan 8.210 nan 0.000 0.430 450 S N 3.620 119.399 115.700 0.133 0.000 2.552 450 S HA 0.596 5.066 4.470 -0.001 0.000 0.272 450 S C -1.200 173.779 174.600 0.632 0.000 1.150 450 S CA -0.987 57.454 58.200 0.402 0.000 0.849 450 S CB 2.083 65.486 63.200 0.339 0.000 1.113 450 S HN 0.886 nan 8.310 nan 0.000 0.458 451 K N 1.415 122.115 120.400 0.499 0.000 2.545 451 K HA 0.670 4.989 4.320 -0.001 0.000 0.252 451 K C 0.345 177.091 176.600 0.243 0.000 0.948 451 K CA -0.135 56.366 56.287 0.356 0.000 0.827 451 K CB 1.290 33.920 32.500 0.217 0.000 1.128 451 K HN 0.855 nan 8.250 nan 0.000 0.429 452 S N 1.846 117.676 115.700 0.217 0.000 4.110 452 S HA -0.304 4.165 4.470 -0.001 0.000 0.573 452 S C 0.880 175.563 174.600 0.138 0.000 1.936 452 S CA 1.895 60.158 58.200 0.105 0.000 4.227 452 S CB -1.047 62.124 63.200 -0.047 0.000 0.327 452 S HN 1.020 nan 8.310 nan 0.000 0.532 453 D N 1.543 121.935 120.400 -0.014 0.000 2.289 453 D HA 0.063 4.703 4.640 -0.001 0.000 0.207 453 D C 0.302 176.778 176.300 0.294 0.000 0.966 453 D CA 0.530 54.601 54.000 0.119 0.000 0.868 453 D CB -0.572 40.212 40.800 -0.027 0.000 0.943 453 D HN 0.424 nan 8.370 nan 0.000 0.514 454 D N 0.807 121.337 120.400 0.216 0.000 2.358 454 D HA 0.434 5.073 4.640 -0.001 0.000 0.258 454 D C -0.821 175.695 176.300 0.360 0.000 1.223 454 D CA -0.024 54.126 54.000 0.250 0.000 0.886 454 D CB 0.900 41.788 40.800 0.147 0.000 1.120 454 D HN 0.271 nan 8.370 nan 0.000 0.482 455 A N 3.958 126.900 122.820 0.203 0.000 2.556 455 A HA 0.720 5.039 4.320 -0.001 0.000 0.294 455 A C -0.892 176.577 177.584 -0.191 0.000 1.091 455 A CA -0.780 51.219 52.037 -0.063 0.000 0.704 455 A CB 1.468 20.231 19.000 -0.396 0.000 1.300 455 A HN 0.548 nan 8.150 nan 0.000 0.406 456 M N 2.020 121.401 119.600 -0.365 0.000 2.253 456 M HA 0.431 4.911 4.480 -0.001 0.000 0.314 456 M C -1.336 174.907 176.300 -0.095 0.000 1.019 456 M CA -0.212 54.985 55.300 -0.171 0.000 0.932 456 M CB 1.616 34.130 32.600 -0.143 0.000 1.606 456 M HN 0.574 nan 8.290 nan 0.000 0.430 457 L N 2.301 123.461 121.223 -0.106 0.000 2.309 457 L HA 0.785 5.125 4.340 -0.001 0.000 0.282 457 L C 0.415 177.040 176.870 -0.408 0.000 1.036 457 L CA -0.659 54.004 54.840 -0.294 0.000 0.806 457 L CB 1.590 43.517 42.059 -0.221 0.000 1.220 457 L HN 0.787 nan 8.230 nan 0.000 0.429 458 G N 2.310 110.434 108.800 -1.128 0.000 2.495 458 G HA2 0.533 4.493 3.960 -0.001 0.000 0.318 458 G HA3 0.533 4.493 3.960 -0.001 0.000 0.318 458 G C -1.774 172.386 174.900 -1.234 0.000 1.257 458 G CA -0.332 43.840 45.100 -1.548 0.000 0.962 458 G HN 0.471 nan 8.290 nan 0.000 0.483 459 W N 2.264 123.242 121.300 -0.536 0.000 2.600 459 W HA 0.349 5.008 4.660 -0.001 0.000 0.325 459 W C 0.660 177.068 176.519 -0.185 0.000 1.034 459 W CA -0.649 56.523 57.345 -0.288 0.000 1.226 459 W CB 2.347 31.710 29.460 -0.163 0.000 1.379 459 W HN 0.787 nan 8.180 nan 0.000 0.466 460 T N -0.136 114.437 114.554 0.030 0.000 2.914 460 T HA 0.342 4.692 4.350 -0.001 0.000 0.313 460 T C 0.425 175.214 174.700 0.148 0.000 1.137 460 T CA -0.575 61.587 62.100 0.102 0.000 0.946 460 T CB 0.923 69.833 68.868 0.070 0.000 1.558 460 T HN 0.020 nan 8.240 nan 0.000 0.565 461 K N 0.897 121.371 120.400 0.124 0.000 2.218 461 K HA 0.656 4.976 4.320 -0.001 0.000 0.276 461 K C 0.571 177.232 176.600 0.102 0.000 1.022 461 K CA 0.264 56.618 56.287 0.112 0.000 0.946 461 K CB 0.757 33.311 32.500 0.090 0.000 1.000 461 K HN 1.089 nan 8.250 nan 0.000 0.468 462 G N 1.142 109.998 108.800 0.093 0.000 2.339 462 G HA2 -0.069 3.891 3.960 -0.001 0.000 0.275 462 G HA3 -0.069 3.891 3.960 -0.001 0.000 0.275 462 G C 0.138 175.072 174.900 0.057 0.000 1.323 462 G CA -0.791 44.352 45.100 0.072 0.000 0.927 462 G HN 0.455 nan 8.290 nan 0.000 0.486 463 R N 0.083 120.581 120.500 -0.003 0.000 2.153 463 R HA 0.196 4.536 4.340 -0.001 0.000 0.218 463 R C 2.783 179.142 176.300 0.097 0.000 1.072 463 R CA 1.368 57.429 56.100 -0.064 0.000 0.990 463 R CB -0.212 29.850 30.300 -0.396 0.000 0.889 463 R HN 0.546 nan 8.270 nan 0.000 0.452 464 A N 1.722 124.703 122.820 0.268 0.000 1.968 464 A HA -0.110 4.210 4.320 -0.001 0.000 0.217 464 A C 2.066 179.800 177.584 0.249 0.000 1.169 464 A CA 0.669 52.943 52.037 0.394 0.000 0.638 464 A CB -0.307 19.014 19.000 0.535 0.000 0.812 464 A HN 0.181 nan 8.150 nan 0.000 0.446 465 L N 0.154 121.499 121.223 0.203 0.000 1.990 465 L HA -0.161 4.179 4.340 -0.001 0.000 0.213 465 L C 2.439 179.298 176.870 -0.018 0.000 1.072 465 L CA 2.464 57.339 54.840 0.059 0.000 0.755 465 L CB -1.031 41.108 42.059 0.134 0.000 0.889 465 L HN 0.244 nan 8.230 nan 0.000 0.432 466 V N 0.112 120.061 119.914 0.059 0.000 2.324 466 V HA -0.223 3.896 4.120 -0.001 0.000 0.250 466 V C 2.414 178.514 176.094 0.010 0.000 1.060 466 V CA 2.198 64.534 62.300 0.060 0.000 1.042 466 V CB -1.086 30.760 31.823 0.039 0.000 0.650 466 V HN 0.628 nan 8.190 nan 0.000 0.450 467 G N -0.820 107.978 108.800 -0.002 0.000 2.422 467 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.218 467 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.218 467 G C 1.570 176.364 174.900 -0.175 0.000 1.146 467 G CA 0.846 45.943 45.100 -0.005 0.000 0.769 467 G HN 0.744 nan 8.290 nan 0.000 0.547 468 G N 0.255 108.744 108.800 -0.518 0.000 2.514 468 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.217 468 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.217 468 G C 1.611 176.053 174.900 -0.764 0.000 1.198 468 G CA 1.161 45.459 45.100 -1.336 0.000 0.780 468 G HN 0.493 nan 8.290 nan 0.000 0.565 469 H N 0.337 119.175 119.070 -0.387 0.000 2.390 469 H HA -0.027 4.528 4.556 -0.001 0.000 0.298 469 H C 2.820 178.101 175.328 -0.079 0.000 1.106 469 H CA 1.408 57.369 56.048 -0.144 0.000 1.297 469 H CB -0.001 29.699 29.762 -0.104 0.000 1.375 469 H HN 0.294 nan 8.280 nan 0.000 0.509 470 R N 0.081 120.589 120.500 0.013 0.000 2.075 470 R HA -0.107 4.233 4.340 -0.001 0.000 0.232 470 R C 2.403 178.692 176.300 -0.018 0.000 1.126 470 R CA 0.697 56.801 56.100 0.006 0.000 0.963 470 R CB -0.366 29.944 30.300 0.017 0.000 0.858 470 R HN 0.128 nan 8.270 nan 0.000 0.435 471 L N 0.603 121.789 121.223 -0.063 0.000 2.013 471 L HA -0.221 4.118 4.340 -0.001 0.000 0.212 471 L C 1.989 178.873 176.870 0.022 0.000 1.073 471 L CA 1.788 56.583 54.840 -0.076 0.000 0.753 471 L CB -0.905 41.111 42.059 -0.071 0.000 0.890 471 L HN 0.084 nan 8.230 nan 0.000 0.432 472 F N 0.562 120.408 119.950 -0.174 0.000 2.171 472 F HA -0.173 4.354 4.527 -0.001 0.000 0.300 472 F C 2.447 178.196 175.800 -0.085 0.000 1.090 472 F CA 1.832 59.767 58.000 -0.109 0.000 1.293 472 F CB -0.520 38.409 39.000 -0.118 0.000 1.013 472 F HN 0.323 nan 8.300 nan 0.000 0.486 473 E N 0.069 120.274 120.200 0.009 0.000 2.072 473 E HA -0.200 4.150 4.350 -0.001 0.000 0.190 473 E C 2.396 178.929 176.600 -0.112 0.000 0.982 473 E CA 1.329 57.656 56.400 -0.122 0.000 0.803 473 E CB -0.469 29.195 29.700 -0.059 0.000 0.755 473 E HN 0.454 nan 8.360 nan 0.000 0.453 474 M N -0.260 119.307 119.600 -0.055 0.000 2.108 474 M HA -0.186 4.294 4.480 -0.001 0.000 0.261 474 M C 1.695 177.981 176.300 -0.022 0.000 1.066 474 M CA 1.527 56.795 55.300 -0.054 0.000 1.107 474 M CB -0.088 32.453 32.600 -0.099 0.000 1.356 474 M HN 0.195 nan 8.290 nan 0.000 0.406 475 L N -0.070 121.169 121.223 0.026 0.000 2.201 475 L HA -0.189 4.151 4.340 -0.001 0.000 0.212 475 L C 2.571 179.506 176.870 0.108 0.000 1.105 475 L CA 1.191 56.112 54.840 0.134 0.000 0.775 475 L CB -0.574 41.640 42.059 0.258 0.000 0.913 475 L HN 0.406 nan 8.230 nan 0.000 0.440 476 K N 0.510 120.787 120.400 -0.204 0.000 2.005 476 K HA -0.171 4.149 4.320 -0.001 0.000 0.206 476 K C 1.922 178.436 176.600 -0.143 0.000 1.044 476 K CA 1.220 57.236 56.287 -0.451 0.000 0.942 476 K CB 0.047 32.033 32.500 -0.857 0.000 0.727 476 K HN 0.133 nan 8.250 nan 0.000 0.439 477 E N -0.469 119.646 120.200 -0.141 0.000 2.130 477 E HA -0.151 4.199 4.350 -0.001 0.000 0.196 477 E C 0.874 177.479 176.600 0.007 0.000 0.998 477 E CA 1.286 57.647 56.400 -0.066 0.000 0.806 477 E CB -0.216 29.447 29.700 -0.062 0.000 0.738 477 E HN 0.668 nan 8.360 nan 0.000 0.459 478 G N 0.289 109.112 108.800 0.040 0.000 2.203 478 G HA2 -0.389 3.571 3.960 -0.001 0.000 0.263 478 G HA3 -0.389 3.571 3.960 -0.001 0.000 0.263 478 G C 0.698 175.629 174.900 0.052 0.000 1.012 478 G CA 1.031 46.179 45.100 0.080 0.000 0.749 478 G HN 0.282 nan 8.290 nan 0.000 0.512 479 K N -1.336 119.082 120.400 0.030 0.000 2.262 479 K HA 0.317 4.637 4.320 -0.001 0.000 0.200 479 K C 0.803 177.419 176.600 0.028 0.000 1.049 479 K CA 0.798 57.100 56.287 0.026 0.000 0.979 479 K CB 0.698 33.207 32.500 0.015 0.000 0.773 479 K HN 0.295 nan 8.250 nan 0.000 0.474 480 V N 2.054 121.985 119.914 0.027 0.000 2.604 480 V HA 0.141 4.261 4.120 -0.001 0.000 0.305 480 V C -0.654 175.460 176.094 0.034 0.000 1.043 480 V CA -1.251 61.067 62.300 0.030 0.000 0.888 480 V CB 1.656 33.497 31.823 0.031 0.000 0.995 480 V HN 0.159 nan 8.190 nan 0.000 0.429 481 N N 5.621 124.344 118.700 0.039 0.000 2.442 481 N HA 0.279 5.019 4.740 -0.001 0.000 0.265 481 N C -1.741 173.806 175.510 0.063 0.000 1.138 481 N CA -1.580 51.496 53.050 0.044 0.000 0.956 481 N CB 1.769 40.274 38.487 0.029 0.000 1.067 481 N HN 0.326 nan 8.380 nan 0.000 0.474 482 P HA 0.079 nan 4.420 nan 0.000 0.245 482 P C -0.304 177.131 177.300 0.226 0.000 1.206 482 P CA 0.335 63.499 63.100 0.106 0.000 0.781 482 P CB 0.525 32.223 31.700 -0.003 0.000 0.994 483 S N -0.459 115.316 115.700 0.124 0.000 2.536 483 S HA 0.519 4.988 4.470 -0.001 0.000 0.298 483 S C -2.190 172.380 174.600 -0.051 0.000 1.083 483 S CA -1.906 56.335 58.200 0.068 0.000 0.995 483 S CB 1.169 64.439 63.200 0.118 0.000 1.058 483 S HN -0.238 nan 8.310 nan 0.000 0.488 484 P HA 0.125 nan 4.420 nan 0.000 0.231 484 P C 0.013 177.156 177.300 -0.263 0.000 1.168 484 P CA 0.725 63.600 63.100 -0.375 0.000 0.779 484 P CB 0.048 31.297 31.700 -0.752 0.000 0.844 485 Y N -2.130 118.237 120.300 0.112 0.000 2.522 485 Y HA 0.315 4.865 4.550 -0.001 0.000 0.277 485 Y C 1.284 177.212 175.900 0.046 0.000 1.104 485 Y CA 0.354 58.540 58.100 0.145 0.000 1.260 485 Y CB 0.131 38.733 38.460 0.237 0.000 1.151 485 Y HN -0.160 nan 8.280 nan 0.000 0.539 486 M N -0.260 119.415 119.600 0.126 0.000 2.569 486 M HA 0.266 4.746 4.480 -0.001 0.000 0.279 486 M C -0.972 175.276 176.300 -0.086 0.000 1.253 486 M CA -0.940 54.338 55.300 -0.038 0.000 0.867 486 M CB 2.219 34.830 32.600 0.017 0.000 1.727 486 M HN -0.184 nan 8.290 nan 0.000 0.467 487 K N 2.083 122.344 120.400 -0.232 0.000 2.315 487 K HA 0.387 4.706 4.320 -0.001 0.000 0.291 487 K C -0.595 176.001 176.600 -0.006 0.000 1.074 487 K CA -0.133 56.073 56.287 -0.134 0.000 0.936 487 K CB 0.251 32.623 32.500 -0.214 0.000 1.049 487 K HN 0.360 nan 8.250 nan 0.000 0.471 488 I N 1.838 122.445 120.570 0.062 0.000 2.577 488 I HA 0.291 4.461 4.170 -0.001 0.000 0.305 488 I C 0.557 176.762 176.117 0.146 0.000 0.986 488 I CA -0.462 60.925 61.300 0.146 0.000 1.189 488 I CB 1.419 39.547 38.000 0.214 0.000 1.355 488 I HN 0.565 nan 8.210 nan 0.000 0.476 489 S N 3.145 118.951 115.700 0.175 0.000 2.587 489 S HA 0.496 4.966 4.470 -0.001 0.000 0.269 489 S C -1.019 173.703 174.600 0.203 0.000 1.154 489 S CA -0.979 57.325 58.200 0.174 0.000 0.824 489 S CB 1.379 64.627 63.200 0.080 0.000 1.118 489 S HN 0.470 nan 8.310 nan 0.000 0.462 490 Y N 0.722 121.105 120.300 0.138 0.000 2.319 490 Y HA 0.525 5.075 4.550 -0.000 0.000 0.328 490 Y C 0.207 176.188 175.900 0.135 0.000 1.133 490 Y CA -0.780 57.407 58.100 0.146 0.000 1.265 490 Y CB 0.313 38.900 38.460 0.212 0.000 1.218 490 Y HN 0.647 nan 8.280 nan 0.000 0.508 491 Q N 3.739 123.586 119.800 0.080 0.000 2.263 491 Q HA -0.062 4.278 4.340 -0.001 0.000 0.289 491 Q C -0.423 175.587 176.000 0.017 0.000 1.061 491 Q CA 0.209 56.032 55.803 0.034 0.000 0.927 491 Q CB 0.225 29.036 28.738 0.122 0.000 1.154 491 Q HN 0.698 nan 8.270 nan 0.000 0.378 492 H N 1.986 120.987 119.070 -0.116 0.000 3.118 492 H HA 0.217 4.773 4.556 -0.000 0.000 0.266 492 H C 0.158 175.531 175.328 0.076 0.000 1.465 492 H CA 0.733 56.774 56.048 -0.011 0.000 1.460 492 H CB -0.327 29.389 29.762 -0.078 0.000 1.661 492 H HN 0.925 nan 8.280 nan 0.000 0.516 493 G N 3.079 112.016 108.800 0.229 0.000 2.740 493 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.267 493 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.267 493 G C 0.452 175.463 174.900 0.185 0.000 0.971 493 G CA -0.483 44.741 45.100 0.207 0.000 1.288 493 G HN 0.841 nan 8.290 nan 0.000 0.615 494 G N -0.041 108.892 108.800 0.221 0.000 2.272 494 G HA2 0.693 4.653 3.960 -0.001 0.000 0.247 494 G HA3 0.693 4.653 3.960 -0.001 0.000 0.247 494 G C 0.480 175.511 174.900 0.218 0.000 1.272 494 G CA 0.865 46.101 45.100 0.226 0.000 0.921 494 G HN 2.052 nan 8.290 nan 0.000 0.495 495 A N 2.128 125.077 122.820 0.216 0.000 2.589 495 A HA 0.684 5.004 4.320 -0.001 0.000 0.296 495 A C -1.657 176.084 177.584 0.262 0.000 1.062 495 A CA -0.647 51.535 52.037 0.241 0.000 0.686 495 A CB 1.605 20.696 19.000 0.152 0.000 1.282 495 A HN 1.015 nan 8.150 nan 0.000 0.404 496 F N 2.241 122.211 119.950 0.033 0.000 2.520 496 F HA 0.599 5.126 4.527 -0.000 0.000 0.322 496 F C 0.416 176.089 175.800 -0.212 0.000 1.103 496 F CA -1.283 56.649 58.000 -0.113 0.000 0.926 496 F CB 1.463 40.354 39.000 -0.181 0.000 1.154 496 F HN 0.482 nan 8.300 nan 0.000 0.453 497 L N 5.415 126.166 121.223 -0.786 0.000 4.071 497 L HA -0.180 4.160 4.340 -0.001 0.000 0.471 497 L C 1.147 177.762 176.870 -0.426 0.000 1.096 497 L CA 1.788 56.204 54.840 -0.707 0.000 0.865 497 L CB -1.576 39.877 42.059 -1.009 0.000 1.802 497 L HN 1.188 nan 8.230 nan 0.000 0.946 498 G N -2.824 105.817 108.800 -0.266 0.000 2.238 498 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.217 498 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.217 498 G C 0.077 174.924 174.900 -0.089 0.000 0.996 498 G CA 0.039 45.039 45.100 -0.166 0.000 0.632 498 G HN 0.437 nan 8.290 nan 0.000 0.503 499 D N 0.742 121.071 120.400 -0.118 0.000 2.192 499 D HA 0.570 5.210 4.640 -0.001 0.000 0.246 499 D C 0.402 176.815 176.300 0.190 0.000 1.042 499 D CA -0.304 53.690 54.000 -0.010 0.000 0.847 499 D CB 1.847 42.555 40.800 -0.154 0.000 1.186 499 D HN 0.281 nan 8.370 nan 0.000 0.461 500 I N 1.651 122.361 120.570 0.233 0.000 2.474 500 I HA 0.024 4.194 4.170 -0.001 0.000 0.287 500 I C 0.189 176.461 176.117 0.258 0.000 1.048 500 I CA -0.726 60.718 61.300 0.240 0.000 1.383 500 I CB 0.915 39.000 38.000 0.142 0.000 1.412 500 I HN 0.080 nan 8.210 nan 0.000 0.531 501 L N 7.892 129.180 121.223 0.108 0.000 2.325 501 L HA 0.270 4.610 4.340 -0.001 0.000 0.284 501 L C -0.627 176.116 176.870 -0.212 0.000 1.089 501 L CA -0.161 54.457 54.840 -0.370 0.000 0.836 501 L CB 0.580 42.333 42.059 -0.509 0.000 1.184 501 L HN 0.425 nan 8.230 nan 0.000 0.444 502 L N 6.845 127.932 121.223 -0.227 0.000 2.282 502 L HA 0.381 4.720 4.340 -0.001 0.000 0.287 502 L C -0.906 175.902 176.870 -0.102 0.000 1.075 502 L CA 0.072 54.876 54.840 -0.060 0.000 0.839 502 L CB -0.043 42.009 42.059 -0.013 0.000 1.219 502 L HN 0.463 nan 8.230 nan 0.000 0.434 503 Y N 2.783 123.099 120.300 0.026 0.000 2.304 503 Y HA 0.306 4.856 4.550 -0.001 0.000 0.327 503 Y C 0.714 176.659 175.900 0.076 0.000 1.209 503 Y CA -0.359 57.762 58.100 0.035 0.000 1.299 503 Y CB 0.785 39.282 38.460 0.062 0.000 1.249 503 Y HN 0.720 nan 8.280 nan 0.000 0.519 504 D N -1.167 119.353 120.400 0.200 0.000 2.530 504 D HA 0.094 4.734 4.640 -0.001 0.000 0.282 504 D C 1.113 177.476 176.300 0.105 0.000 1.204 504 D CA -0.071 54.014 54.000 0.142 0.000 1.093 504 D CB -0.175 40.675 40.800 0.084 0.000 1.154 504 D HN 0.398 nan 8.370 nan 0.000 0.593 505 S N -1.136 114.594 115.700 0.050 0.000 2.442 505 S HA -0.166 4.304 4.470 -0.001 0.000 0.236 505 S C 1.656 176.252 174.600 -0.006 0.000 1.007 505 S CA 0.446 58.643 58.200 -0.006 0.000 0.965 505 S CB -0.541 62.652 63.200 -0.012 0.000 0.773 505 S HN 0.450 nan 8.310 nan 0.000 0.504 506 R N 0.923 121.441 120.500 0.029 0.000 2.096 506 R HA 0.097 4.436 4.340 -0.001 0.000 0.235 506 R C 0.225 176.543 176.300 0.031 0.000 1.127 506 R CA 0.753 56.870 56.100 0.029 0.000 0.968 506 R CB -0.414 29.916 30.300 0.050 0.000 0.861 506 R HN 0.229 nan 8.270 nan 0.000 0.440 507 R N 1.255 121.801 120.500 0.077 0.000 3.336 507 R HA -0.136 4.204 4.340 -0.001 0.000 0.260 507 R C -1.028 175.340 176.300 0.114 0.000 1.032 507 R CA 0.840 56.964 56.100 0.040 0.000 0.693 507 R CB -2.209 28.014 30.300 -0.130 0.000 1.134 507 R HN 0.554 nan 8.270 nan 0.000 0.433 508 E N -0.669 119.695 120.200 0.274 0.000 2.317 508 E HA 0.254 4.603 4.350 -0.001 0.000 0.270 508 E C -1.919 174.850 176.600 0.281 0.000 0.885 508 E CA -2.229 54.336 56.400 0.274 0.000 0.760 508 E CB 1.995 31.787 29.700 0.153 0.000 1.227 508 E HN -0.253 nan 8.360 nan 0.000 0.434 509 P HA -0.216 nan 4.420 nan 0.000 0.216 509 P C 1.347 178.613 177.300 -0.056 0.000 1.154 509 P CA 1.612 64.721 63.100 0.015 0.000 0.865 509 P CB 0.095 31.862 31.700 0.111 0.000 0.789 510 G N -0.194 108.622 108.800 0.027 0.000 2.505 510 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.220 510 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.220 510 G C 1.154 176.039 174.900 -0.025 0.000 1.145 510 G CA 1.389 46.493 45.100 0.007 0.000 0.761 510 G HN 0.441 nan 8.290 nan 0.000 0.571 511 S N -0.223 115.471 115.700 -0.010 0.000 2.573 511 S HA 0.726 5.195 4.470 -0.001 0.000 0.244 511 S C 0.476 175.037 174.600 -0.064 0.000 0.984 511 S CA 0.009 58.197 58.200 -0.020 0.000 1.001 511 S CB 0.715 63.925 63.200 0.017 0.000 0.788 511 S HN 0.603 nan 8.310 nan 0.000 0.456 512 A N 2.021 124.740 122.820 -0.169 0.000 2.294 512 A HA 0.883 5.203 4.320 -0.001 0.000 0.330 512 A C -0.101 177.283 177.584 -0.334 0.000 1.133 512 A CA -1.057 50.777 52.037 -0.337 0.000 0.836 512 A CB 0.525 19.093 19.000 -0.720 0.000 1.190 512 A HN 0.772 nan 8.150 nan 0.000 0.492 513 I N -2.751 117.615 120.570 -0.341 0.000 2.865 513 I HA 0.658 4.827 4.170 -0.001 0.000 0.302 513 I C -1.320 174.603 176.117 -0.323 0.000 1.140 513 I CA -0.841 60.297 61.300 -0.271 0.000 1.021 513 I CB 2.047 39.978 38.000 -0.114 0.000 1.233 513 I HN 0.481 nan 8.210 nan 0.000 0.427 514 F N 4.514 124.398 119.950 -0.110 0.000 2.424 514 F HA 0.553 5.079 4.527 -0.001 0.000 0.356 514 F C 0.471 176.234 175.800 -0.061 0.000 1.110 514 F CA -0.564 57.385 58.000 -0.086 0.000 1.161 514 F CB 1.736 40.683 39.000 -0.087 0.000 1.115 514 F HN 0.445 nan 8.300 nan 0.000 0.507 515 V N 1.607 121.622 119.914 0.169 0.000 3.046 515 V HA 0.903 5.022 4.120 -0.001 0.000 0.316 515 V C 0.220 176.376 176.094 0.102 0.000 1.104 515 V CA -0.827 61.529 62.300 0.095 0.000 1.006 515 V CB 1.215 33.077 31.823 0.064 0.000 1.058 515 V HN 0.738 nan 8.190 nan 0.000 0.440 516 G N 1.077 109.913 108.800 0.060 0.000 2.636 516 G HA2 0.194 4.154 3.960 -0.001 0.000 0.246 516 G HA3 0.194 4.154 3.960 -0.001 0.000 0.246 516 G C -0.135 174.874 174.900 0.181 0.000 1.216 516 G CA -0.311 44.836 45.100 0.079 0.000 0.854 516 G HN 1.014 nan 8.290 nan 0.000 0.572 517 N N 0.582 119.410 118.700 0.214 0.000 2.415 517 N HA 0.066 4.806 4.740 -0.001 0.000 0.246 517 N C 1.191 176.833 175.510 0.220 0.000 1.078 517 N CA -0.716 52.443 53.050 0.182 0.000 0.942 517 N CB 1.016 39.571 38.487 0.113 0.000 1.140 517 N HN 0.244 nan 8.380 nan 0.000 0.501 518 I N 4.286 124.950 120.570 0.156 0.000 2.264 518 I HA -0.189 3.981 4.170 -0.001 0.000 0.248 518 I C 1.724 177.859 176.117 0.030 0.000 1.111 518 I CA 1.185 62.543 61.300 0.096 0.000 1.382 518 I CB -0.452 37.624 38.000 0.127 0.000 1.060 518 I HN 0.651 nan 8.210 nan 0.000 0.418 519 N N -0.515 118.205 118.700 0.033 0.000 2.289 519 N HA -0.159 4.581 4.740 -0.001 0.000 0.184 519 N C 1.818 177.337 175.510 0.015 0.000 1.016 519 N CA 1.472 54.526 53.050 0.007 0.000 0.872 519 N CB 0.007 38.401 38.487 -0.154 0.000 0.973 519 N HN 0.339 nan 8.380 nan 0.000 0.433 520 S N -0.185 115.527 115.700 0.020 0.000 2.387 520 S HA -0.077 4.393 4.470 -0.001 0.000 0.226 520 S C 1.823 176.398 174.600 -0.041 0.000 1.026 520 S CA 0.624 58.858 58.200 0.056 0.000 0.972 520 S CB -0.215 63.088 63.200 0.172 0.000 0.814 520 S HN 0.419 nan 8.310 nan 0.000 0.477 521 M N 1.314 120.648 119.600 -0.442 0.000 2.080 521 M HA -0.135 4.344 4.480 -0.001 0.000 0.260 521 M C 1.771 177.940 176.300 -0.219 0.000 1.068 521 M CA 1.566 56.413 55.300 -0.755 0.000 1.109 521 M CB -0.354 31.498 32.600 -1.247 0.000 1.342 521 M HN 0.286 nan 8.290 nan 0.000 0.405 522 L N 0.089 121.276 121.223 -0.059 0.000 1.994 522 L HA -0.279 4.061 4.340 -0.001 0.000 0.208 522 L C 2.185 179.150 176.870 0.159 0.000 1.071 522 L CA 1.257 56.185 54.840 0.146 0.000 0.745 522 L CB -1.185 41.044 42.059 0.284 0.000 0.892 522 L HN 0.351 nan 8.230 nan 0.000 0.431 523 N N 0.427 119.201 118.700 0.124 0.000 2.104 523 N HA -0.201 4.538 4.740 -0.001 0.000 0.190 523 N C 1.562 177.141 175.510 0.114 0.000 1.024 523 N CA 1.520 54.648 53.050 0.131 0.000 0.853 523 N CB -0.631 37.909 38.487 0.089 0.000 1.008 523 N HN 0.431 nan 8.380 nan 0.000 0.424 524 N N 0.405 119.154 118.700 0.081 0.000 2.166 524 N HA -0.105 4.635 4.740 -0.001 0.000 0.186 524 N C 1.552 177.106 175.510 0.074 0.000 1.019 524 N CA 0.725 53.834 53.050 0.098 0.000 0.856 524 N CB -0.005 38.565 38.487 0.138 0.000 0.993 524 N HN 0.403 nan 8.380 nan 0.000 0.426 525 Q N -0.775 118.998 119.800 -0.044 0.000 2.250 525 Q HA 0.053 4.393 4.340 -0.001 0.000 0.200 525 Q C 0.702 176.579 176.000 -0.204 0.000 0.941 525 Q CA 0.875 56.563 55.803 -0.191 0.000 0.872 525 Q CB 0.352 28.768 28.738 -0.536 0.000 0.965 525 Q HN 0.390 nan 8.270 nan 0.000 0.480 526 F N -2.013 118.176 119.950 0.398 0.000 2.746 526 F HA 0.271 4.798 4.527 -0.001 0.000 0.313 526 F C 0.746 176.798 175.800 0.421 0.000 1.095 526 F CA -0.298 58.020 58.000 0.531 0.000 1.224 526 F CB 1.238 40.555 39.000 0.529 0.000 1.060 526 F HN -0.301 nan 8.300 nan 0.000 0.584 527 S N 1.007 116.930 115.700 0.373 0.000 2.327 527 S HA 0.305 4.775 4.470 -0.001 0.000 0.203 527 S C -2.567 172.125 174.600 0.154 0.000 1.326 527 S CA -1.113 57.250 58.200 0.273 0.000 1.248 527 S CB 0.153 63.501 63.200 0.246 0.000 1.199 527 S HN -0.185 nan 8.310 nan 0.000 0.422 528 P HA 0.170 nan 4.420 nan 0.000 0.272 528 P C 0.716 178.036 177.300 0.033 0.000 1.230 528 P CA -0.170 62.971 63.100 0.068 0.000 0.788 528 P CB 0.775 32.486 31.700 0.018 0.000 0.949 529 E N 0.318 120.529 120.200 0.019 0.000 2.152 529 E HA -0.100 4.250 4.350 -0.001 0.000 0.192 529 E C -0.268 176.094 176.600 -0.397 0.000 0.983 529 E CA 0.987 57.285 56.400 -0.170 0.000 0.818 529 E CB 0.052 29.666 29.700 -0.144 0.000 0.758 529 E HN 0.440 nan 8.360 nan 0.000 0.467 530 Y N -1.586 118.714 120.300 0.000 0.000 2.634 530 Y HA 0.542 5.092 4.550 -0.001 0.000 0.340 530 Y C 0.755 176.634 175.900 -0.035 0.000 1.058 530 Y CA -0.867 57.222 58.100 -0.019 0.000 1.081 530 Y CB 1.250 39.698 38.460 -0.020 0.000 1.295 530 Y HN -0.111 nan 8.280 nan 0.000 0.487 531 G N -0.100 108.781 108.800 0.134 0.000 2.588 531 G HA2 0.351 4.311 3.960 -0.001 0.000 0.278 531 G HA3 0.351 4.311 3.960 -0.001 0.000 0.278 531 G C 0.756 175.676 174.900 0.035 0.000 1.307 531 G CA -0.065 45.061 45.100 0.044 0.000 1.016 531 G HN 0.800 nan 8.290 nan 0.000 0.503 532 V N -3.653 116.263 119.914 0.004 0.000 3.306 532 V HA 0.174 4.294 4.120 -0.001 0.000 0.264 532 V C 1.003 177.077 176.094 -0.034 0.000 1.149 532 V CA 1.302 63.597 62.300 -0.008 0.000 1.143 532 V CB -1.189 30.642 31.823 0.014 0.000 0.767 532 V HN 0.776 nan 8.190 nan 0.000 0.476 533 Q N 1.186 120.973 119.800 -0.023 0.000 2.463 533 Q HA -0.199 4.141 4.340 -0.001 0.000 0.299 533 Q C 1.231 177.206 176.000 -0.043 0.000 1.353 533 Q CA 0.581 56.363 55.803 -0.036 0.000 0.828 533 Q CB -1.683 27.017 28.738 -0.063 0.000 1.157 533 Q HN 1.023 nan 8.270 nan 0.000 0.436 534 S N -2.959 112.724 115.700 -0.027 0.000 2.603 534 S HA 0.017 4.487 4.470 -0.001 0.000 0.229 534 S C 1.547 176.136 174.600 -0.019 0.000 0.972 534 S CA 0.422 58.607 58.200 -0.025 0.000 0.935 534 S CB 0.428 63.622 63.200 -0.009 0.000 0.769 534 S HN 0.599 nan 8.310 nan 0.000 0.536 535 G N 1.091 109.880 108.800 -0.018 0.000 2.494 535 G HA2 0.162 4.121 3.960 -0.001 0.000 0.216 535 G HA3 0.162 4.121 3.960 -0.001 0.000 0.216 535 G C 0.365 175.254 174.900 -0.017 0.000 1.140 535 G CA -0.029 45.063 45.100 -0.013 0.000 0.801 535 G HN 0.461 nan 8.290 nan 0.000 0.536 536 V N 1.182 121.078 119.914 -0.030 0.000 2.446 536 V HA 0.195 4.315 4.120 -0.001 0.000 0.276 536 V C 1.481 177.559 176.094 -0.027 0.000 1.030 536 V CA 0.021 62.301 62.300 -0.034 0.000 1.033 536 V CB 1.101 32.889 31.823 -0.059 0.000 0.993 536 V HN 0.316 nan 8.190 nan 0.000 0.477 537 R N 2.205 122.703 120.500 -0.003 0.000 2.173 537 R HA 0.012 4.352 4.340 -0.001 0.000 0.208 537 R C 0.754 177.097 176.300 0.072 0.000 1.035 537 R CA 0.259 56.373 56.100 0.024 0.000 1.004 537 R CB 0.222 30.537 30.300 0.026 0.000 0.917 537 R HN 0.806 nan 8.270 nan 0.000 0.462 538 D N 0.606 121.046 120.400 0.067 0.000 2.374 538 D HA 0.015 4.654 4.640 -0.001 0.000 0.240 538 D C 0.384 176.696 176.300 0.020 0.000 1.229 538 D CA 0.158 54.243 54.000 0.142 0.000 0.895 538 D CB 0.677 41.542 40.800 0.109 0.000 1.046 538 D HN 0.039 nan 8.370 nan 0.000 0.498 539 R N 1.361 121.801 120.500 -0.101 0.000 2.189 539 R HA -0.069 4.271 4.340 -0.001 0.000 0.218 539 R C 2.082 178.097 176.300 -0.474 0.000 1.074 539 R CA 0.980 56.796 56.100 -0.473 0.000 0.991 539 R CB 0.036 29.793 30.300 -0.906 0.000 0.883 539 R HN 0.432 nan 8.270 nan 0.000 0.457 540 S N 0.708 116.229 115.700 -0.298 0.000 2.474 540 S HA -0.087 4.383 4.470 -0.001 0.000 0.235 540 S C 1.566 176.106 174.600 -0.101 0.000 0.997 540 S CA 0.848 58.970 58.200 -0.131 0.000 0.949 540 S CB 0.034 63.264 63.200 0.050 0.000 0.766 540 S HN 0.263 nan 8.310 nan 0.000 0.517 541 K N 0.475 120.815 120.400 -0.100 0.000 2.356 541 K HA 0.197 4.516 4.320 -0.001 0.000 0.195 541 K C 0.642 177.163 176.600 -0.132 0.000 1.037 541 K CA -0.094 56.139 56.287 -0.090 0.000 1.014 541 K CB 0.205 32.672 32.500 -0.055 0.000 0.815 541 K HN 0.343 nan 8.250 nan 0.000 0.507 542 R N 1.205 121.599 120.500 -0.177 0.000 2.694 542 R HA 0.055 4.394 4.340 -0.001 0.000 0.268 542 R C 1.100 177.270 176.300 -0.216 0.000 1.061 542 R CA -0.094 55.888 56.100 -0.197 0.000 1.133 542 R CB 0.396 30.556 30.300 -0.232 0.000 1.020 542 R HN -0.113 nan 8.270 nan 0.000 0.475 543 K N 1.872 122.116 120.400 -0.260 0.000 2.155 543 K HA -0.070 4.250 4.320 -0.001 0.000 0.203 543 K C 0.418 176.898 176.600 -0.201 0.000 1.052 543 K CA 1.337 57.414 56.287 -0.350 0.000 0.948 543 K CB 0.146 32.194 32.500 -0.753 0.000 0.728 543 K HN 0.424 nan 8.250 nan 0.000 0.448 544 R N 0.449 120.858 120.500 -0.151 0.000 2.547 544 R HA 0.175 4.515 4.340 -0.001 0.000 0.280 544 R C -2.184 174.013 176.300 -0.171 0.000 1.630 544 R CA -1.386 54.662 56.100 -0.087 0.000 1.470 544 R CB 1.181 31.476 30.300 -0.009 0.000 1.178 544 R HN -0.121 nan 8.270 nan 0.000 0.591 545 P HA -0.150 nan 4.420 nan 0.000 0.215 545 P C -0.269 176.449 177.300 -0.970 0.000 1.157 545 P CA 1.390 64.109 63.100 -0.635 0.000 0.874 545 P CB 0.250 31.656 31.700 -0.490 0.000 0.790 546 F N -3.827 116.078 119.950 -0.074 0.000 2.794 546 F HA 0.335 4.862 4.527 -0.001 0.000 0.353 546 F C -1.923 173.873 175.800 -0.007 0.000 1.371 546 F CA -1.971 55.996 58.000 -0.054 0.000 1.173 546 F CB 0.983 39.942 39.000 -0.069 0.000 1.693 546 F HN -0.120 nan 8.300 nan 0.000 0.606 547 P HA -0.188 nan 4.420 nan 0.000 0.215 547 P C 2.021 179.389 177.300 0.114 0.000 1.163 547 P CA 2.050 65.243 63.100 0.154 0.000 0.894 547 P CB 0.187 32.014 31.700 0.213 0.000 0.791 548 G N -0.220 108.597 108.800 0.028 0.000 2.517 548 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.222 548 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.222 548 G C 1.446 176.367 174.900 0.034 0.000 1.109 548 G CA 0.576 45.637 45.100 -0.064 0.000 0.746 548 G HN 0.252 nan 8.290 nan 0.000 0.576 549 L N 0.389 121.664 121.223 0.088 0.000 2.191 549 L HA -0.056 4.284 4.340 -0.001 0.000 0.212 549 L C 3.265 180.207 176.870 0.120 0.000 1.103 549 L CA 0.740 55.631 54.840 0.085 0.000 0.769 549 L CB -0.380 41.719 42.059 0.067 0.000 0.908 549 L HN 0.325 nan 8.230 nan 0.000 0.438 550 A N -0.691 122.224 122.820 0.159 0.000 2.125 550 A HA -0.243 4.077 4.320 -0.001 0.000 0.219 550 A C 2.134 179.848 177.584 0.218 0.000 1.156 550 A CA 0.768 52.917 52.037 0.187 0.000 0.671 550 A CB -0.790 18.342 19.000 0.219 0.000 0.794 550 A HN 0.675 nan 8.150 nan 0.000 0.459 551 W N 0.381 121.678 121.300 -0.006 0.000 2.402 551 W HA -0.129 4.531 4.660 -0.000 0.000 0.286 551 W C 2.067 178.589 176.519 0.005 0.000 1.221 551 W CA 1.290 58.621 57.345 -0.023 0.000 1.257 551 W CB 0.014 29.407 29.460 -0.113 0.000 1.120 551 W HN 0.431 nan 8.180 nan 0.000 0.551 552 A N -0.164 122.714 122.820 0.097 0.000 2.167 552 A HA -0.094 4.226 4.320 -0.001 0.000 0.214 552 A C 1.739 179.298 177.584 -0.042 0.000 1.151 552 A CA 1.583 53.622 52.037 0.003 0.000 0.735 552 A CB -0.663 18.351 19.000 0.024 0.000 0.802 552 A HN 0.260 nan 8.150 nan 0.000 0.467 553 S N -1.800 113.889 115.700 -0.018 0.000 2.559 553 S HA 0.161 4.631 4.470 -0.001 0.000 0.226 553 S C 1.618 176.198 174.600 -0.032 0.000 1.000 553 S CA 0.437 58.619 58.200 -0.029 0.000 0.948 553 S CB -0.349 62.855 63.200 0.007 0.000 0.870 553 S HN 0.479 nan 8.310 nan 0.000 0.497 554 M N 1.916 121.501 119.600 -0.025 0.000 2.080 554 M HA -0.132 4.348 4.480 -0.001 0.000 0.260 554 M C 2.174 178.496 176.300 0.037 0.000 1.068 554 M CA 2.055 57.400 55.300 0.075 0.000 1.109 554 M CB -0.200 32.337 32.600 -0.104 0.000 1.342 554 M HN 0.292 nan 8.290 nan 0.000 0.405 555 K N 0.690 121.040 120.400 -0.083 0.000 2.032 555 K HA -0.200 4.119 4.320 -0.001 0.000 0.209 555 K C 1.016 177.468 176.600 -0.246 0.000 1.048 555 K CA 2.645 58.824 56.287 -0.180 0.000 0.927 555 K CB -0.528 31.893 32.500 -0.131 0.000 0.712 555 K HN 0.472 nan 8.250 nan 0.000 0.441 556 D N -1.009 119.287 120.400 -0.174 0.000 2.149 556 D HA -0.077 4.563 4.640 -0.001 0.000 0.201 556 D C 1.577 177.752 176.300 -0.209 0.000 0.972 556 D CA 1.601 55.499 54.000 -0.171 0.000 0.835 556 D CB -0.236 40.484 40.800 -0.133 0.000 0.966 556 D HN 0.259 nan 8.370 nan 0.000 0.476 557 T N -0.829 113.569 114.554 -0.259 0.000 2.809 557 T HA -0.066 4.284 4.350 -0.001 0.000 0.260 557 T C 1.083 175.455 174.700 -0.547 0.000 1.039 557 T CA 0.942 62.765 62.100 -0.463 0.000 1.141 557 T CB -0.191 68.245 68.868 -0.720 0.000 0.869 557 T HN 0.266 nan 8.240 nan 0.000 0.437 558 Y N -0.153 120.083 120.300 -0.107 0.000 2.445 558 Y HA 0.412 4.962 4.550 -0.001 0.000 0.247 558 Y C 2.345 177.975 175.900 -0.451 0.000 1.129 558 Y CA -0.629 57.415 58.100 -0.094 0.000 1.251 558 Y CB 0.135 38.679 38.460 0.141 0.000 1.176 558 Y HN 0.208 nan 8.280 nan 0.000 0.522 559 G N 0.319 108.686 108.800 -0.721 0.000 2.653 559 G HA2 -0.069 3.891 3.960 -0.001 0.000 0.212 559 G HA3 -0.069 3.891 3.960 -0.001 0.000 0.212 559 G C 1.439 176.049 174.900 -0.484 0.000 1.138 559 G CA 0.969 45.359 45.100 -1.183 0.000 0.782 559 G HN 0.422 nan 8.290 nan 0.000 0.535 560 A N -0.755 121.923 122.820 -0.237 0.000 2.252 560 A HA 0.327 4.647 4.320 -0.001 0.000 0.213 560 A C 1.138 178.716 177.584 -0.010 0.000 1.188 560 A CA -0.089 51.891 52.037 -0.094 0.000 0.863 560 A CB -0.131 18.828 19.000 -0.068 0.000 0.893 560 A HN 0.291 nan 8.150 nan 0.000 0.495 561 C N 1.245 120.565 119.300 0.034 0.000 2.611 561 C HA 0.174 4.633 4.460 -0.001 0.000 0.416 561 C C -0.643 174.403 174.990 0.094 0.000 1.366 561 C CA -0.410 58.665 59.018 0.095 0.000 1.761 561 C CB 0.108 27.947 27.740 0.165 0.000 2.619 561 C HN 0.426 nan 8.230 nan 0.000 0.606 562 P HA -0.125 nan 4.420 nan 0.000 0.217 562 P C 0.927 178.268 177.300 0.069 0.000 1.148 562 P CA 1.435 64.580 63.100 0.075 0.000 0.828 562 P CB -0.061 31.684 31.700 0.075 0.000 0.783 563 I N -6.662 113.920 120.570 0.020 0.000 3.927 563 I HA 0.212 4.381 4.170 -0.001 0.000 0.332 563 I C 1.752 177.836 176.117 -0.056 0.000 1.485 563 I CA -0.519 60.716 61.300 -0.108 0.000 1.131 563 I CB -0.565 37.133 38.000 -0.503 0.000 1.092 563 I HN -0.182 nan 8.210 nan 0.000 0.410 564 Y N 1.857 122.125 120.300 -0.053 0.000 2.014 564 Y HA -0.382 4.168 4.550 -0.001 0.000 0.272 564 Y C 2.867 178.756 175.900 -0.018 0.000 1.164 564 Y CA 2.568 60.655 58.100 -0.021 0.000 1.114 564 Y CB -0.299 38.169 38.460 0.014 0.000 0.961 564 Y HN 0.357 nan 8.280 nan 0.000 0.489 565 S N -0.035 115.703 115.700 0.063 0.000 2.368 565 S HA -0.257 4.212 4.470 -0.001 0.000 0.226 565 S C 1.664 176.230 174.600 -0.057 0.000 1.044 565 S CA 1.943 60.125 58.200 -0.030 0.000 1.062 565 S CB -0.654 62.599 63.200 0.088 0.000 0.931 565 S HN 0.636 nan 8.310 nan 0.000 0.440 566 D N 0.353 120.747 120.400 -0.009 0.000 2.178 566 D HA -0.060 4.580 4.640 -0.001 0.000 0.201 566 D C 2.022 178.318 176.300 -0.007 0.000 0.980 566 D CA 0.913 54.943 54.000 0.051 0.000 0.842 566 D CB -0.449 40.438 40.800 0.145 0.000 0.948 566 D HN 0.317 nan 8.370 nan 0.000 0.472 567 V N 0.925 120.755 119.914 -0.140 0.000 2.379 567 V HA -0.160 3.960 4.120 -0.001 0.000 0.245 567 V C 2.635 178.687 176.094 -0.070 0.000 1.044 567 V CA 0.890 63.112 62.300 -0.130 0.000 1.036 567 V CB -0.357 31.366 31.823 -0.168 0.000 0.664 567 V HN 0.169 nan 8.190 nan 0.000 0.453 568 L N 0.124 121.256 121.223 -0.151 0.000 2.083 568 L HA -0.220 4.120 4.340 -0.001 0.000 0.209 568 L C 2.609 179.495 176.870 0.027 0.000 1.083 568 L CA 2.102 56.898 54.840 -0.073 0.000 0.752 568 L CB -0.529 41.398 42.059 -0.220 0.000 0.899 568 L HN 0.493 nan 8.230 nan 0.000 0.433 569 E N 0.579 120.782 120.200 0.005 0.000 2.047 569 E HA -0.245 4.105 4.350 -0.001 0.000 0.191 569 E C 2.229 178.850 176.600 0.035 0.000 0.987 569 E CA 1.231 57.654 56.400 0.038 0.000 0.799 569 E CB -0.046 29.681 29.700 0.046 0.000 0.752 569 E HN 0.414 nan 8.360 nan 0.000 0.449 570 A N 1.334 124.164 122.820 0.016 0.000 1.908 570 A HA -0.169 4.151 4.320 -0.001 0.000 0.218 570 A C 2.224 179.802 177.584 -0.010 0.000 1.181 570 A CA 1.487 53.475 52.037 -0.082 0.000 0.627 570 A CB -0.706 18.278 19.000 -0.026 0.000 0.818 570 A HN 0.388 nan 8.150 nan 0.000 0.445 571 I N -0.839 119.780 120.570 0.083 0.000 2.127 571 I HA -0.286 3.883 4.170 -0.001 0.000 0.241 571 I C 2.604 178.898 176.117 0.294 0.000 1.075 571 I CA 1.957 63.390 61.300 0.221 0.000 1.334 571 I CB -0.374 37.747 38.000 0.201 0.000 1.040 571 I HN 0.411 nan 8.210 nan 0.000 0.405 572 E N 1.215 121.537 120.200 0.203 0.000 2.049 572 E HA -0.286 4.064 4.350 -0.001 0.000 0.198 572 E C 2.243 178.993 176.600 0.251 0.000 1.007 572 E CA 1.686 58.203 56.400 0.195 0.000 0.809 572 E CB -0.205 29.552 29.700 0.094 0.000 0.749 572 E HN 0.200 nan 8.360 nan 0.000 0.450 573 R N -0.640 119.974 120.500 0.191 0.000 2.080 573 R HA -0.145 4.195 4.340 -0.001 0.000 0.236 573 R C 2.389 178.838 176.300 0.248 0.000 1.137 573 R CA 1.901 58.122 56.100 0.202 0.000 0.943 573 R CB -0.758 29.568 30.300 0.043 0.000 0.846 573 R HN 0.351 nan 8.270 nan 0.000 0.431 574 C N -0.370 119.062 119.300 0.219 0.000 2.435 574 C HA -0.094 4.366 4.460 -0.001 0.000 0.279 574 C C 2.352 177.657 174.990 0.525 0.000 1.321 574 C CA 0.065 59.248 59.018 0.275 0.000 1.752 574 C CB -1.299 26.523 27.740 0.136 0.000 1.959 574 C HN 0.688 nan 8.230 nan 0.000 0.500 575 W N -0.269 121.257 121.300 0.377 0.000 2.381 575 W HA -0.114 4.545 4.660 -0.001 0.000 0.301 575 W C 2.277 178.996 176.519 0.333 0.000 1.205 575 W CA 1.042 58.493 57.345 0.177 0.000 1.285 575 W CB -0.633 28.799 29.460 -0.046 0.000 1.133 575 W HN 0.433 nan 8.180 nan 0.000 0.521 576 W N 1.865 123.357 121.300 0.319 0.000 2.358 576 W HA -0.200 4.460 4.660 -0.001 0.000 0.303 576 W C 2.165 178.722 176.519 0.064 0.000 1.208 576 W CA 1.471 58.930 57.345 0.190 0.000 1.274 576 W CB -1.127 28.425 29.460 0.155 0.000 1.138 576 W HN -0.089 nan 8.180 nan 0.000 0.515 577 N N 0.013 118.853 118.700 0.234 0.000 2.137 577 N HA -0.182 4.558 4.740 -0.001 0.000 0.190 577 N C 1.634 177.102 175.510 -0.069 0.000 1.017 577 N CA 2.358 55.434 53.050 0.042 0.000 0.859 577 N CB -0.893 37.617 38.487 0.038 0.000 1.002 577 N HN 0.154 nan 8.380 nan 0.000 0.428 578 A N -1.677 121.060 122.820 -0.139 0.000 2.115 578 A HA 0.276 4.595 4.320 -0.001 0.000 0.211 578 A C 1.252 178.360 177.584 -0.794 0.000 1.169 578 A CA 0.233 51.974 52.037 -0.494 0.000 0.787 578 A CB 0.094 18.718 19.000 -0.625 0.000 0.858 578 A HN 0.228 nan 8.150 nan 0.000 0.474 579 F N -2.123 117.684 119.950 -0.238 0.000 2.876 579 F HA 0.342 4.868 4.527 -0.001 0.000 0.344 579 F C 1.691 177.498 175.800 0.011 0.000 1.029 579 F CA 0.442 58.308 58.000 -0.224 0.000 1.154 579 F CB 0.774 39.463 39.000 -0.519 0.000 1.040 579 F HN 0.285 nan 8.300 nan 0.000 0.576 580 G N 1.199 110.181 108.800 0.304 0.000 2.179 580 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.257 580 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.257 580 G C -0.065 175.194 174.900 0.599 0.000 1.010 580 G CA 0.245 45.534 45.100 0.315 0.000 0.736 580 G HN 0.277 nan 8.290 nan 0.000 0.513 581 E N -0.316 120.287 120.200 0.673 0.000 2.263 581 E HA 0.536 4.886 4.350 -0.001 0.000 0.264 581 E C -0.181 176.523 176.600 0.173 0.000 0.923 581 E CA -0.425 56.234 56.400 0.432 0.000 0.802 581 E CB 1.661 31.567 29.700 0.345 0.000 1.228 581 E HN 0.229 nan 8.360 nan 0.000 0.417 582 S N 1.389 117.030 115.700 -0.098 0.000 2.422 582 S HA 0.043 4.513 4.470 -0.001 0.000 0.283 582 S C 0.824 175.329 174.600 -0.158 0.000 1.163 582 S CA -0.351 57.685 58.200 -0.273 0.000 1.054 582 S CB -0.108 62.905 63.200 -0.311 0.000 0.967 582 S HN 0.621 nan 8.310 nan 0.000 0.499 583 Y N 5.603 125.689 120.300 -0.357 0.000 2.165 583 Y HA -0.184 4.365 4.550 -0.001 0.000 0.286 583 Y C 2.434 178.014 175.900 -0.533 0.000 1.155 583 Y CA 2.098 59.708 58.100 -0.816 0.000 1.164 583 Y CB -0.147 37.689 38.460 -1.040 0.000 0.978 583 Y HN 0.782 nan 8.280 nan 0.000 0.513 584 R N 0.422 120.709 120.500 -0.356 0.000 2.103 584 R HA -0.227 4.113 4.340 -0.001 0.000 0.242 584 R C 2.333 178.361 176.300 -0.453 0.000 1.142 584 R CA 1.537 57.434 56.100 -0.340 0.000 0.960 584 R CB -0.606 29.672 30.300 -0.036 0.000 0.858 584 R HN 0.475 nan 8.270 nan 0.000 0.439 585 A N 0.011 122.638 122.820 -0.321 0.000 1.858 585 A HA -0.230 4.090 4.320 -0.001 0.000 0.216 585 A C 2.058 179.434 177.584 -0.347 0.000 1.190 585 A CA 1.429 53.311 52.037 -0.257 0.000 0.617 585 A CB -1.105 17.804 19.000 -0.152 0.000 0.827 585 A HN 0.652 nan 8.150 nan 0.000 0.443 586 Y N 0.376 120.373 120.300 -0.504 0.000 2.298 586 Y HA -0.257 4.293 4.550 -0.001 0.000 0.287 586 Y C 2.318 177.766 175.900 -0.754 0.000 1.164 586 Y CA 2.113 59.890 58.100 -0.537 0.000 1.229 586 Y CB -0.060 38.104 38.460 -0.494 0.000 0.977 586 Y HN 0.149 nan 8.280 nan 0.000 0.538 587 R N 0.615 120.414 120.500 -1.170 0.000 2.062 587 R HA -0.042 4.298 4.340 -0.001 0.000 0.226 587 R C 2.163 177.813 176.300 -1.084 0.000 1.125 587 R CA 1.577 56.766 56.100 -1.518 0.000 0.966 587 R CB -0.758 27.919 30.300 -2.704 0.000 0.861 587 R HN 0.505 nan 8.270 nan 0.000 0.433 588 E N 0.626 120.324 120.200 -0.838 0.000 2.153 588 E HA -0.177 4.173 4.350 -0.001 0.000 0.194 588 E C 1.503 177.919 176.600 -0.306 0.000 0.988 588 E CA 1.104 57.266 56.400 -0.396 0.000 0.811 588 E CB -0.025 29.553 29.700 -0.204 0.000 0.746 588 E HN 0.243 nan 8.360 nan 0.000 0.466 589 D N 0.421 120.606 120.400 -0.358 0.000 2.084 589 D HA -0.167 4.473 4.640 -0.001 0.000 0.194 589 D C 1.918 178.037 176.300 -0.302 0.000 0.990 589 D CA 0.983 54.816 54.000 -0.278 0.000 0.826 589 D CB -0.053 40.586 40.800 -0.269 0.000 0.971 589 D HN 0.139 nan 8.370 nan 0.000 0.453 590 M N 0.485 119.807 119.600 -0.464 0.000 2.213 590 M HA -0.125 4.354 4.480 -0.001 0.000 0.263 590 M C 2.226 178.363 176.300 -0.271 0.000 1.062 590 M CA 0.750 55.798 55.300 -0.419 0.000 1.105 590 M CB -0.001 32.204 32.600 -0.658 0.000 1.385 590 M HN 0.057 nan 8.290 nan 0.000 0.417 591 L N 0.310 121.370 121.223 -0.272 0.000 2.042 591 L HA -0.282 4.058 4.340 -0.001 0.000 0.210 591 L C 2.348 179.167 176.870 -0.084 0.000 1.076 591 L CA 1.778 56.546 54.840 -0.120 0.000 0.749 591 L CB -0.489 41.544 42.059 -0.043 0.000 0.893 591 L HN 0.386 nan 8.230 nan 0.000 0.432 592 K N -0.341 119.996 120.400 -0.104 0.000 2.025 592 K HA -0.211 4.109 4.320 -0.001 0.000 0.207 592 K C 2.201 178.768 176.600 -0.055 0.000 1.049 592 K CA 1.300 57.545 56.287 -0.070 0.000 0.933 592 K CB 0.030 32.485 32.500 -0.075 0.000 0.714 592 K HN 0.236 nan 8.250 nan 0.000 0.438 593 R N 0.584 121.042 120.500 -0.070 0.000 2.073 593 R HA -0.120 4.220 4.340 -0.001 0.000 0.234 593 R C 1.856 178.161 176.300 0.008 0.000 1.134 593 R CA 1.933 58.011 56.100 -0.037 0.000 0.952 593 R CB -0.172 30.094 30.300 -0.057 0.000 0.850 593 R HN 0.209 nan 8.270 nan 0.000 0.433 594 D N -0.734 119.675 120.400 0.015 0.000 2.264 594 D HA -0.083 4.556 4.640 -0.001 0.000 0.208 594 D C 1.589 177.909 176.300 0.033 0.000 0.966 594 D CA 1.168 55.235 54.000 0.112 0.000 0.864 594 D CB -0.129 40.764 40.800 0.154 0.000 0.933 594 D HN 0.206 nan 8.370 nan 0.000 0.499 595 T N 1.142 115.682 114.554 -0.023 0.000 2.777 595 T HA -0.058 4.292 4.350 -0.001 0.000 0.266 595 T C 1.953 176.624 174.700 -0.048 0.000 1.040 595 T CA 0.203 62.265 62.100 -0.063 0.000 1.141 595 T CB -0.014 68.824 68.868 -0.051 0.000 0.868 595 T HN 0.072 nan 8.240 nan 0.000 0.444 596 L N 1.176 122.391 121.223 -0.015 0.000 1.970 596 L HA -0.100 4.240 4.340 -0.001 0.000 0.212 596 L C 2.681 179.574 176.870 0.040 0.000 1.071 596 L CA 1.943 56.785 54.840 0.004 0.000 0.751 596 L CB -1.196 40.869 42.059 0.010 0.000 0.889 596 L HN 0.274 nan 8.230 nan 0.000 0.432 597 E N -0.071 120.186 120.200 0.094 0.000 2.267 597 E HA -0.244 4.106 4.350 -0.001 0.000 0.197 597 E C 1.950 178.721 176.600 0.286 0.000 0.998 597 E CA 0.778 57.308 56.400 0.216 0.000 0.830 597 E CB -0.205 29.664 29.700 0.282 0.000 0.751 597 E HN 0.289 nan 8.360 nan 0.000 0.491 598 L N 0.023 121.258 121.223 0.019 0.000 2.072 598 L HA -0.075 4.264 4.340 -0.001 0.000 0.205 598 L C 2.175 179.028 176.870 -0.027 0.000 1.079 598 L CA 1.968 56.662 54.840 -0.243 0.000 0.752 598 L CB -0.892 40.834 42.059 -0.556 0.000 0.906 598 L HN 0.244 nan 8.230 nan 0.000 0.436 599 S N -0.803 114.886 115.700 -0.020 0.000 2.402 599 S HA -0.252 4.218 4.470 -0.001 0.000 0.233 599 S C 2.142 176.752 174.600 0.015 0.000 1.030 599 S CA 0.893 59.087 58.200 -0.011 0.000 1.003 599 S CB -0.695 62.495 63.200 -0.016 0.000 0.813 599 S HN 0.461 nan 8.310 nan 0.000 0.477 600 R N 0.344 120.877 120.500 0.055 0.000 2.083 600 R HA -0.054 4.286 4.340 -0.001 0.000 0.237 600 R C 1.810 178.054 176.300 -0.093 0.000 1.137 600 R CA 1.792 57.875 56.100 -0.028 0.000 0.951 600 R CB -0.776 29.503 30.300 -0.036 0.000 0.851 600 R HN 0.624 nan 8.270 nan 0.000 0.434 601 Y N -0.702 119.616 120.300 0.030 0.000 2.523 601 Y HA 0.065 4.614 4.550 -0.001 0.000 0.279 601 Y C 0.929 176.829 175.900 -0.001 0.000 1.139 601 Y CA 0.164 58.292 58.100 0.047 0.000 1.296 601 Y CB 0.724 39.271 38.460 0.144 0.000 1.045 601 Y HN -0.270 nan 8.280 nan 0.000 0.538 602 V N 0.232 120.200 119.914 0.089 0.000 2.326 602 V HA 0.343 4.462 4.120 -0.001 0.000 0.254 602 V C 1.183 177.275 176.094 -0.004 0.000 1.022 602 V CA -0.126 62.188 62.300 0.024 0.000 1.074 602 V CB -0.084 31.730 31.823 -0.015 0.000 1.305 602 V HN 0.308 nan 8.190 nan 0.000 0.506 603 A N 1.087 123.901 122.820 -0.010 0.000 2.054 603 A HA -0.197 4.122 4.320 -0.001 0.000 0.223 603 A C 2.107 179.678 177.584 -0.022 0.000 1.169 603 A CA 2.325 54.349 52.037 -0.022 0.000 0.655 603 A CB -0.247 18.736 19.000 -0.027 0.000 0.812 603 A HN 0.578 nan 8.150 nan 0.000 0.462 604 S N -1.151 114.537 115.700 -0.019 0.000 2.881 604 S HA 0.130 4.599 4.470 -0.001 0.000 0.228 604 S C 1.239 175.823 174.600 -0.027 0.000 0.965 604 S CA 0.759 58.946 58.200 -0.022 0.000 0.998 604 S CB -0.376 62.812 63.200 -0.021 0.000 0.795 604 S HN 0.688 nan 8.310 nan 0.000 0.518 605 M N 0.819 120.401 119.600 -0.029 0.000 2.731 605 M HA 0.343 4.822 4.480 -0.001 0.000 0.231 605 M C 0.093 176.375 176.300 -0.030 0.000 1.295 605 M CA 0.697 55.977 55.300 -0.034 0.000 1.283 605 M CB 0.235 32.810 32.600 -0.041 0.000 1.146 605 M HN 0.160 nan 8.290 nan 0.000 0.523 606 A N 1.726 124.529 122.820 -0.027 0.000 2.842 606 A HA 0.591 4.911 4.320 -0.001 0.000 0.339 606 A C -0.630 176.939 177.584 -0.026 0.000 1.177 606 A CA -0.392 51.628 52.037 -0.027 0.000 0.797 606 A CB 0.207 19.192 19.000 -0.025 0.000 1.094 606 A HN 0.668 nan 8.150 nan 0.000 0.474 607 R N 1.624 122.107 120.500 -0.029 0.000 1.108 607 R HA -0.104 4.236 4.340 -0.001 0.000 0.425 607 R C -1.201 175.084 176.300 -0.025 0.000 1.347 607 R CA 0.493 56.578 56.100 -0.026 0.000 1.080 607 R CB -0.486 29.801 30.300 -0.021 0.000 3.248 607 R HN 1.013 nan 8.270 nan 0.000 0.507 608 Q N -0.309 119.476 119.800 -0.026 0.000 2.205 608 Q HA -0.158 4.181 4.340 -0.001 0.000 0.295 608 Q C -0.826 175.157 176.000 -0.028 0.000 1.133 608 Q CA 1.024 56.812 55.803 -0.024 0.000 0.628 608 Q CB -1.660 27.065 28.738 -0.021 0.000 0.880 608 Q HN 0.925 nan 8.270 nan 0.000 0.329 609 A N -0.355 122.447 122.820 -0.030 0.000 1.472 609 A HA 0.481 4.801 4.320 -0.001 0.000 0.214 609 A C 1.134 178.697 177.584 -0.035 0.000 1.836 609 A CA 1.095 53.111 52.037 -0.034 0.000 1.436 609 A CB -0.300 18.677 19.000 -0.039 0.000 1.362 609 A HN 0.682 nan 8.150 nan 0.000 0.359 610 G N -0.325 108.454 108.800 -0.036 0.000 2.808 610 G HA2 0.309 4.269 3.960 -0.001 0.000 0.210 610 G HA3 0.309 4.269 3.960 -0.001 0.000 0.210 610 G C 1.218 176.089 174.900 -0.047 0.000 1.177 610 G CA 0.684 45.761 45.100 -0.038 0.000 0.853 610 G HN 0.245 nan 8.290 nan 0.000 0.625 611 L N 0.857 122.052 121.223 -0.047 0.000 2.492 611 L HA 0.322 4.662 4.340 -0.001 0.000 0.223 611 L C 2.127 178.962 176.870 -0.058 0.000 1.132 611 L CA 0.521 55.327 54.840 -0.057 0.000 0.850 611 L CB -0.133 41.896 42.059 -0.049 0.000 0.966 611 L HN 0.520 nan 8.230 nan 0.000 0.454 612 A N 0.644 123.434 122.820 -0.050 0.000 5.382 612 A HA -0.346 3.974 4.320 -0.001 0.000 0.307 612 A C 1.335 178.886 177.584 -0.055 0.000 1.937 612 A CA 1.698 53.705 52.037 -0.050 0.000 0.715 612 A CB -1.203 17.767 19.000 -0.050 0.000 1.293 612 A HN 0.409 nan 8.150 nan 0.000 0.374 613 E N 0.452 120.618 120.200 -0.057 0.000 2.502 613 E HA 0.210 4.560 4.350 -0.001 0.000 0.194 613 E C 0.140 176.696 176.600 -0.072 0.000 1.062 613 E CA 0.156 56.520 56.400 -0.060 0.000 0.867 613 E CB -0.263 29.403 29.700 -0.056 0.000 0.888 613 E HN 0.553 nan 8.360 nan 0.000 0.510 614 L N 2.648 123.825 121.223 -0.077 0.000 2.410 614 L HA 0.061 4.401 4.340 -0.001 0.000 0.273 614 L C 1.139 177.948 176.870 -0.102 0.000 1.144 614 L CA -0.210 54.576 54.840 -0.091 0.000 0.863 614 L CB 0.446 42.451 42.059 -0.091 0.000 1.140 614 L HN 0.007 nan 8.230 nan 0.000 0.463 615 T N 0.141 114.619 114.554 -0.127 0.000 2.788 615 T HA 0.222 4.572 4.350 -0.001 0.000 0.287 615 T C -1.795 172.804 174.700 -0.169 0.000 1.007 615 T CA -1.616 60.392 62.100 -0.153 0.000 1.005 615 T CB 1.175 69.926 68.868 -0.194 0.000 1.012 615 T HN 0.331 nan 8.240 nan 0.000 0.530 616 P HA -0.004 nan 4.420 nan 0.000 0.216 616 P C 1.701 178.856 177.300 -0.240 0.000 1.150 616 P CA 0.896 63.898 63.100 -0.162 0.000 0.837 616 P CB -0.129 31.482 31.700 -0.149 0.000 0.786 617 I N -0.250 120.043 120.570 -0.463 0.000 2.151 617 I HA -0.294 3.876 4.170 -0.001 0.000 0.243 617 I C 1.837 177.654 176.117 -0.500 0.000 1.080 617 I CA 1.712 62.453 61.300 -0.931 0.000 1.339 617 I CB -0.818 36.474 38.000 -1.180 0.000 1.039 617 I HN -0.033 nan 8.210 nan 0.000 0.409 618 D N 1.053 121.270 120.400 -0.305 0.000 2.103 618 D HA -0.193 4.447 4.640 -0.001 0.000 0.190 618 D C 2.316 178.573 176.300 -0.071 0.000 0.997 618 D CA 1.351 55.261 54.000 -0.150 0.000 0.833 618 D CB -0.598 40.126 40.800 -0.126 0.000 0.961 618 D HN 0.279 nan 8.370 nan 0.000 0.447 619 L N 0.831 122.011 121.223 -0.072 0.000 2.081 619 L HA -0.183 4.156 4.340 -0.001 0.000 0.212 619 L C 2.407 179.315 176.870 0.064 0.000 1.080 619 L CA 1.213 56.045 54.840 -0.013 0.000 0.754 619 L CB -0.379 41.668 42.059 -0.020 0.000 0.893 619 L HN 0.069 nan 8.230 nan 0.000 0.433 620 E N -0.398 119.867 120.200 0.107 0.000 2.107 620 E HA -0.136 4.214 4.350 -0.001 0.000 0.191 620 E C 2.336 179.087 176.600 0.251 0.000 0.982 620 E CA 0.947 57.487 56.400 0.233 0.000 0.809 620 E CB -0.044 29.904 29.700 0.413 0.000 0.756 620 E HN 0.320 nan 8.360 nan 0.000 0.459 621 V N 1.587 121.655 119.914 0.256 0.000 2.427 621 V HA -0.204 3.916 4.120 -0.001 0.000 0.248 621 V C 2.422 178.589 176.094 0.122 0.000 1.051 621 V CA 1.120 63.542 62.300 0.203 0.000 1.048 621 V CB -0.363 31.569 31.823 0.181 0.000 0.666 621 V HN 0.204 nan 8.190 nan 0.000 0.456 622 L N -0.060 121.229 121.223 0.110 0.000 2.141 622 L HA -0.104 4.235 4.340 -0.001 0.000 0.209 622 L C 2.504 179.490 176.870 0.194 0.000 1.094 622 L CA 1.469 56.399 54.840 0.149 0.000 0.763 622 L CB -0.535 41.579 42.059 0.092 0.000 0.908 622 L HN 0.361 nan 8.230 nan 0.000 0.437 623 A N -1.827 121.089 122.820 0.159 0.000 2.123 623 A HA -0.074 4.246 4.320 -0.001 0.000 0.214 623 A C 0.433 178.082 177.584 0.108 0.000 1.152 623 A CA 0.812 52.939 52.037 0.150 0.000 0.728 623 A CB 0.038 19.135 19.000 0.161 0.000 0.814 623 A HN 0.339 nan 8.150 nan 0.000 0.464 624 D N -2.057 118.399 120.400 0.094 0.000 2.634 624 D HA 0.212 4.851 4.640 -0.001 0.000 0.236 624 D C -2.735 173.578 176.300 0.022 0.000 1.323 624 D CA -0.969 53.067 54.000 0.061 0.000 0.884 624 D CB 0.995 41.846 40.800 0.085 0.000 1.496 624 D HN -0.062 nan 8.370 nan 0.000 0.525 625 P HA 0.045 nan 4.420 nan 0.000 0.233 625 P C 1.180 178.431 177.300 -0.082 0.000 1.167 625 P CA 0.198 63.283 63.100 -0.024 0.000 0.770 625 P CB 0.243 31.921 31.700 -0.037 0.000 0.837 626 N N 0.307 118.946 118.700 -0.101 0.000 2.585 626 N HA -0.107 4.632 4.740 -0.001 0.000 0.188 626 N C 1.054 176.280 175.510 -0.473 0.000 1.102 626 N CA 0.797 53.755 53.050 -0.152 0.000 0.920 626 N CB 0.042 38.523 38.487 -0.011 0.000 0.963 626 N HN 0.190 nan 8.380 nan 0.000 0.447 627 K N 0.022 120.144 120.400 -0.464 0.000 2.444 627 K HA 0.136 4.456 4.320 -0.001 0.000 0.193 627 K C 1.725 178.103 176.600 -0.369 0.000 1.024 627 K CA -0.064 55.786 56.287 -0.729 0.000 1.077 627 K CB 0.368 32.588 32.500 -0.467 0.000 0.833 627 K HN 0.162 nan 8.250 nan 0.000 0.517 628 L N 1.149 122.274 121.223 -0.162 0.000 2.093 628 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 628 L C 1.775 178.624 176.870 -0.035 0.000 1.085 628 L CA 1.197 56.029 54.840 -0.013 0.000 0.755 628 L CB -0.191 41.886 42.059 0.030 0.000 0.904 628 L HN 0.272 nan 8.230 nan 0.000 0.435 629 Q N -0.963 118.772 119.800 -0.108 0.000 2.225 629 Q HA 0.066 4.405 4.340 -0.001 0.000 0.259 629 Q C 0.158 176.180 176.000 0.036 0.000 0.872 629 Q CA -0.157 55.639 55.803 -0.013 0.000 1.042 629 Q CB 0.428 29.177 28.738 0.019 0.000 1.142 629 Q HN 0.624 nan 8.270 nan 0.000 0.463 630 Y N -2.523 117.759 120.300 -0.030 0.000 2.508 630 Y HA 0.332 4.882 4.550 -0.001 0.000 0.292 630 Y C 1.000 176.807 175.900 -0.154 0.000 1.038 630 Y CA -0.077 57.979 58.100 -0.073 0.000 0.969 630 Y CB 0.019 38.434 38.460 -0.075 0.000 1.388 630 Y HN -0.037 nan 8.280 nan 0.000 0.570 631 K N -0.389 120.006 120.400 -0.008 0.000 2.214 631 K HA 0.218 4.537 4.320 -0.001 0.000 0.210 631 K C -0.087 176.328 176.600 -0.309 0.000 1.036 631 K CA 0.415 56.549 56.287 -0.254 0.000 0.958 631 K CB 0.470 32.588 32.500 -0.637 0.000 0.973 631 K HN 0.118 nan 8.250 nan 0.000 0.466 632 W N 1.582 122.821 121.300 -0.102 0.000 2.671 632 W HA 0.363 5.023 4.660 -0.001 0.000 0.360 632 W C -0.511 175.954 176.519 -0.091 0.000 1.128 632 W CA -0.632 56.637 57.345 -0.125 0.000 1.184 632 W CB 0.895 30.287 29.460 -0.114 0.000 1.415 632 W HN 0.074 nan 8.180 nan 0.000 0.604 633 T N -2.030 112.617 114.554 0.155 0.000 2.906 633 T HA 0.209 4.558 4.350 -0.001 0.000 0.295 633 T C 0.794 175.533 174.700 0.065 0.000 1.061 633 T CA -0.693 61.470 62.100 0.104 0.000 1.000 633 T CB 2.874 71.783 68.868 0.067 0.000 1.103 633 T HN 0.429 nan 8.240 nan 0.000 0.486 634 E N 1.342 121.575 120.200 0.056 0.000 2.755 634 E HA -0.408 3.942 4.350 -0.001 0.000 0.241 634 E C 2.032 178.520 176.600 -0.185 0.000 0.977 634 E CA 2.560 58.862 56.400 -0.163 0.000 1.398 634 E CB -0.767 28.828 29.700 -0.176 0.000 1.343 634 E HN 0.931 nan 8.360 nan 0.000 0.482 635 A N 0.602 123.363 122.820 -0.098 0.000 2.239 635 A HA -0.117 4.203 4.320 -0.001 0.000 0.209 635 A C 1.120 178.656 177.584 -0.079 0.000 1.171 635 A CA 1.146 53.130 52.037 -0.089 0.000 0.768 635 A CB -0.056 18.913 19.000 -0.051 0.000 0.790 635 A HN 0.185 nan 8.150 nan 0.000 0.478 636 D N -0.784 119.562 120.400 -0.090 0.000 2.350 636 D HA 0.144 4.784 4.640 -0.001 0.000 0.213 636 D C 0.073 176.232 176.300 -0.235 0.000 1.031 636 D CA 0.487 54.380 54.000 -0.178 0.000 0.861 636 D CB 0.429 41.094 40.800 -0.226 0.000 0.926 636 D HN 0.193 nan 8.370 nan 0.000 0.520 637 V N 1.093 120.917 119.914 -0.150 0.000 2.459 637 V HA 0.217 4.337 4.120 -0.001 0.000 0.295 637 V C 0.450 176.488 176.094 -0.093 0.000 1.029 637 V CA -0.987 61.245 62.300 -0.113 0.000 0.874 637 V CB 1.928 33.763 31.823 0.020 0.000 0.985 637 V HN -0.092 nan 8.190 nan 0.000 0.438 638 S N 2.968 118.615 115.700 -0.088 0.000 2.573 638 S HA 0.105 4.575 4.470 -0.001 0.000 0.297 638 S C 1.500 176.081 174.600 -0.031 0.000 1.280 638 S CA 0.249 58.409 58.200 -0.068 0.000 1.061 638 S CB 0.979 64.139 63.200 -0.068 0.000 0.812 638 S HN 1.067 nan 8.310 nan 0.000 0.500 639 A N 3.448 126.245 122.820 -0.037 0.000 1.972 639 A HA -0.159 4.161 4.320 -0.001 0.000 0.219 639 A C 1.940 179.537 177.584 0.022 0.000 1.169 639 A CA 1.503 53.531 52.037 -0.016 0.000 0.635 639 A CB -0.530 18.449 19.000 -0.034 0.000 0.810 639 A HN 0.894 nan 8.150 nan 0.000 0.446 640 N N -0.146 118.554 118.700 0.001 0.000 2.463 640 N HA -0.033 4.707 4.740 -0.001 0.000 0.181 640 N C 1.162 176.679 175.510 0.012 0.000 1.078 640 N CA 0.797 53.848 53.050 0.002 0.000 0.902 640 N CB -0.259 38.219 38.487 -0.015 0.000 0.970 640 N HN 0.372 nan 8.380 nan 0.000 0.451 641 I N 0.919 121.500 120.570 0.018 0.000 2.480 641 I HA -0.091 4.078 4.170 -0.001 0.000 0.251 641 I C 2.333 178.488 176.117 0.063 0.000 1.124 641 I CA 0.630 61.941 61.300 0.019 0.000 1.444 641 I CB -1.195 36.802 38.000 -0.005 0.000 1.098 641 I HN 0.277 nan 8.210 nan 0.000 0.428 642 H N 2.055 121.112 119.070 -0.022 0.000 2.289 642 H HA -0.222 4.333 4.556 -0.001 0.000 0.296 642 H C 1.718 177.045 175.328 -0.002 0.000 1.091 642 H CA 2.244 58.288 56.048 -0.008 0.000 1.274 642 H CB 0.293 30.048 29.762 -0.011 0.000 1.364 642 H HN 0.470 nan 8.280 nan 0.000 0.490 643 E N 0.232 120.465 120.200 0.055 0.000 2.455 643 E HA -0.086 4.263 4.350 -0.001 0.000 0.202 643 E C 2.147 178.738 176.600 -0.016 0.000 1.045 643 E CA 0.865 57.253 56.400 -0.019 0.000 0.872 643 E CB -0.094 29.589 29.700 -0.029 0.000 0.792 643 E HN 0.226 nan 8.360 nan 0.000 0.542 644 V N 1.141 121.062 119.914 0.012 0.000 2.379 644 V HA -0.182 3.937 4.120 -0.001 0.000 0.245 644 V C 2.128 178.241 176.094 0.032 0.000 1.044 644 V CA 1.334 63.670 62.300 0.061 0.000 1.036 644 V CB -0.287 31.584 31.823 0.081 0.000 0.664 644 V HN 0.323 nan 8.190 nan 0.000 0.453 645 L N -1.475 119.725 121.223 -0.039 0.000 2.298 645 L HA 0.166 4.506 4.340 -0.001 0.000 0.209 645 L C 0.925 177.731 176.870 -0.106 0.000 1.084 645 L CA 0.575 55.370 54.840 -0.074 0.000 0.816 645 L CB -0.083 41.910 42.059 -0.110 0.000 0.967 645 L HN 0.276 nan 8.230 nan 0.000 0.460 646 M N -1.445 118.051 119.600 -0.174 0.000 2.777 646 M HA 0.440 4.920 4.480 -0.001 0.000 0.307 646 M C -0.876 175.421 176.300 -0.005 0.000 1.228 646 M CA -0.339 54.877 55.300 -0.140 0.000 0.871 646 M CB 1.759 34.144 32.600 -0.359 0.000 1.721 646 M HN -0.105 nan 8.290 nan 0.000 0.487 647 H N -0.531 118.525 119.070 -0.023 0.000 2.947 647 H HA 0.585 5.141 4.556 -0.001 0.000 0.354 647 H C -0.881 174.470 175.328 0.038 0.000 1.085 647 H CA -0.235 55.819 56.048 0.011 0.000 1.253 647 H CB 1.941 31.703 29.762 0.000 0.000 1.757 647 H HN 0.816 nan 8.280 nan 0.000 0.523 648 G N 1.686 110.644 108.800 0.262 0.000 2.537 648 G HA2 0.511 4.471 3.960 -0.001 0.000 0.297 648 G HA3 0.511 4.471 3.960 -0.001 0.000 0.297 648 G C -0.843 174.198 174.900 0.235 0.000 1.310 648 G CA -0.394 44.830 45.100 0.206 0.000 1.027 648 G HN 0.380 nan 8.290 nan 0.000 0.505 649 V N -0.547 119.452 119.914 0.142 0.000 2.876 649 V HA 0.458 4.578 4.120 -0.001 0.000 0.312 649 V C 0.645 176.787 176.094 0.081 0.000 1.085 649 V CA -0.844 61.520 62.300 0.105 0.000 0.945 649 V CB 1.693 33.562 31.823 0.078 0.000 1.017 649 V HN 1.009 nan 8.190 nan 0.000 0.428 650 S N 2.085 117.825 115.700 0.067 0.000 4.004 650 S HA -0.079 4.391 4.470 -0.001 0.000 0.480 650 S C 1.206 175.838 174.600 0.053 0.000 1.098 650 S CA 0.302 58.534 58.200 0.054 0.000 1.033 650 S CB 0.012 63.238 63.200 0.044 0.000 0.714 650 S HN 0.636 nan 8.310 nan 0.000 0.501 651 V N 5.380 125.324 119.914 0.049 0.000 2.515 651 V HA -0.135 3.985 4.120 -0.001 0.000 0.250 651 V C 2.240 178.364 176.094 0.049 0.000 1.058 651 V CA 2.230 64.558 62.300 0.048 0.000 1.064 651 V CB -0.907 30.939 31.823 0.038 0.000 0.675 651 V HN 0.830 nan 8.190 nan 0.000 0.461 652 E N 0.405 120.630 120.200 0.043 0.000 2.118 652 E HA -0.217 4.133 4.350 -0.001 0.000 0.195 652 E C 2.221 178.857 176.600 0.059 0.000 0.992 652 E CA 1.280 57.706 56.400 0.043 0.000 0.804 652 E CB -0.244 29.477 29.700 0.035 0.000 0.741 652 E HN 0.557 nan 8.360 nan 0.000 0.458 653 K N -0.135 120.302 120.400 0.062 0.000 2.116 653 K HA -0.045 4.275 4.320 -0.001 0.000 0.203 653 K C 2.283 178.954 176.600 0.117 0.000 1.052 653 K CA 1.570 57.903 56.287 0.077 0.000 0.952 653 K CB -0.044 32.487 32.500 0.053 0.000 0.729 653 K HN 0.260 nan 8.250 nan 0.000 0.446 654 T N -0.197 114.419 114.554 0.103 0.000 2.737 654 T HA -0.175 4.174 4.350 -0.001 0.000 0.265 654 T C 1.872 176.686 174.700 0.189 0.000 1.038 654 T CA 1.182 63.371 62.100 0.150 0.000 1.144 654 T CB -0.316 68.614 68.868 0.103 0.000 0.866 654 T HN 0.278 nan 8.240 nan 0.000 0.434 655 E N 1.388 121.656 120.200 0.113 0.000 2.070 655 E HA -0.259 4.091 4.350 -0.001 0.000 0.197 655 E C 2.470 179.119 176.600 0.082 0.000 1.004 655 E CA 1.238 57.686 56.400 0.080 0.000 0.805 655 E CB -0.142 29.587 29.700 0.048 0.000 0.744 655 E HN 0.513 nan 8.360 nan 0.000 0.451 656 R N -0.531 120.028 120.500 0.098 0.000 2.073 656 R HA -0.183 4.157 4.340 -0.001 0.000 0.234 656 R C 2.262 178.636 176.300 0.123 0.000 1.134 656 R CA 1.735 57.889 56.100 0.091 0.000 0.952 656 R CB -0.528 29.825 30.300 0.089 0.000 0.850 656 R HN 0.304 nan 8.270 nan 0.000 0.433 657 F N 0.539 120.515 119.950 0.044 0.000 2.102 657 F HA -0.166 4.360 4.527 -0.001 0.000 0.298 657 F C 1.754 177.591 175.800 0.062 0.000 1.105 657 F CA 1.250 59.298 58.000 0.079 0.000 1.239 657 F CB -0.401 38.655 39.000 0.094 0.000 0.991 657 F HN 0.060 nan 8.300 nan 0.000 0.474 658 L N 1.025 122.281 121.223 0.055 0.000 2.042 658 L HA -0.192 4.148 4.340 -0.001 0.000 0.210 658 L C 2.687 179.412 176.870 -0.241 0.000 1.076 658 L CA 1.958 56.719 54.840 -0.132 0.000 0.749 658 L CB -0.947 41.115 42.059 0.006 0.000 0.893 658 L HN 0.172 nan 8.230 nan 0.000 0.432 659 R N -0.748 119.675 120.500 -0.129 0.000 2.117 659 R HA -0.194 4.146 4.340 -0.001 0.000 0.243 659 R C 2.296 178.504 176.300 -0.154 0.000 1.143 659 R CA 1.763 57.789 56.100 -0.124 0.000 0.968 659 R CB -0.304 29.961 30.300 -0.057 0.000 0.863 659 R HN 0.581 nan 8.270 nan 0.000 0.444 660 S N -1.275 114.339 115.700 -0.142 0.000 2.561 660 S HA 0.017 4.486 4.470 -0.001 0.000 0.225 660 S C 1.637 176.160 174.600 -0.128 0.000 0.977 660 S CA 0.611 58.779 58.200 -0.053 0.000 0.926 660 S CB 0.542 63.788 63.200 0.078 0.000 0.769 660 S HN 0.155 nan 8.310 nan 0.000 0.533 661 V N 1.205 120.885 119.914 -0.391 0.000 2.581 661 V HA 0.281 4.400 4.120 -0.001 0.000 0.240 661 V C 1.273 176.958 176.094 -0.682 0.000 1.054 661 V CA 0.764 62.674 62.300 -0.650 0.000 1.076 661 V CB -0.240 31.024 31.823 -0.931 0.000 0.748 661 V HN 0.489 nan 8.190 nan 0.000 0.474 662 M N 0.312 119.525 119.600 -0.645 0.000 2.291 662 M HA 0.265 4.745 4.480 -0.001 0.000 0.324 662 M C -1.436 174.523 176.300 -0.568 0.000 1.148 662 M CA -1.487 53.311 55.300 -0.838 0.000 1.104 662 M CB 0.596 32.829 32.600 -0.612 0.000 1.483 662 M HN -0.068 nan 8.290 nan 0.000 0.467 663 P HA -0.081 nan 4.420 nan 0.000 0.210 663 P C 0.053 177.231 177.300 -0.203 0.000 1.185 663 P CA 1.519 64.441 63.100 -0.297 0.000 0.924 663 P CB 0.242 31.812 31.700 -0.216 0.000 0.786 664 R N 0.000 120.389 120.500 -0.185 0.000 2.786 664 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 664 R CA 0.000 56.026 56.100 -0.123 0.000 0.921 664 R CB 0.000 30.253 30.300 -0.079 0.000 0.687 664 R HN 0.000 nan 8.270 nan 0.000 0.535