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 1v7v_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKYGYFDNDN REYVITRPDV PAPWTNYLGT EKFCTVISHN AGGYSFYNSP DATA SEQUENCE EYNRVTKFRP NATFDRPGHY VYLRDDDSGD YWSISWQPVA KSLDEAQYQI DATA SEQUENCE RHGLSYSKFQ CDYNGIHARK TLFVPKGEDA EIWDVVIKNT SDQVRTISAF DATA SEQUENCE SFVEFSFSHI QSDNQNHQMS LYSAGTAYRP GLIEYDLYYN TDDFEGFYYL DATA SEQUENCE ASTFDPDSYD GQRDRFLGLY RDEANPLAVE QGRCSNSAQT CYNHCGSLHK DATA SEQUENCE QFTLQPGEEI RFAYILGIGK GNGERLREHY QDVANIDAAF AAIKAHWDER DATA SEQUENCE CAKFQVKSPN QGLDTMINAW TLYQAETCVV WSRFASFIEV GGRTGLGYRD DATA SEQUENCE TAQDAISVPH ANPEMTRKRI VDLLRGQVKA GYGLHLFDPD WFDPXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXIHGI KDTcSDDHLW LIPTICKYVM ETGETSFFDQ DATA SEQUENCE MIPYADGGEA SVYEHMKAAL DFSAEYVGQT GICKGLRADW NDcLNLGGGE DATA SEQUENCE SSMVSFLHFW ALQEFIDLAK FLGKDQDVNT YTEMAANVRE ACETHLWDDE DATA SEQUENCE GGWYIRGLTK NGDKIGTAQQ QEGRVHLESN TLAVLSGLAS QERGEQAMDA DATA SEQUENCE VDEHLFSPYG LHLNAPSFST PNDDIGFVTR VYQGVKENGA IFSHPNPWAW DATA SEQUENCE VAETKLGRGD RAMKFYDALN PYNQNDIIEK RIAEPYSYVQ FIMGRDHQDH DATA SEQUENCE GRANHPWLTG TSGWAYFAVT NYILGVQSGF TGLSVDPCIP SDWPGFEVTR DATA SEQUENCE QWRGATYHIQ VENPDHVSKG VKSITLNGAP IQGRIPPQAQ GSDNQVVVVL DATA SEQUENCE G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.287 176.300 -0.022 0.000 1.140 1 M CA 0.000 55.269 55.300 -0.051 0.000 0.988 1 M CB 0.000 32.565 32.600 -0.058 0.000 1.302 2 K N 2.030 122.350 120.400 -0.132 0.000 2.435 2 K HA 0.659 4.980 4.320 0.001 0.000 0.251 2 K C -1.325 175.132 176.600 -0.238 0.000 0.954 2 K CA -0.675 55.608 56.287 -0.007 0.000 0.820 2 K CB 1.778 34.307 32.500 0.049 0.000 1.292 2 K HN 0.750 nan 8.250 nan 0.000 0.436 3 Y N -0.273 120.086 120.300 0.098 0.000 2.527 3 Y HA 0.359 4.909 4.550 0.001 0.000 0.247 3 Y C 0.655 176.595 175.900 0.067 0.000 1.138 3 Y CA -0.039 58.049 58.100 -0.020 0.000 1.228 3 Y CB 2.063 40.349 38.460 -0.289 0.000 1.252 3 Y HN 0.974 nan 8.280 nan 0.000 0.531 4 G N -0.492 108.475 108.800 0.277 0.000 2.427 4 G HA2 0.444 4.404 3.960 0.001 0.000 0.306 4 G HA3 0.444 4.404 3.960 0.001 0.000 0.306 4 G C -2.131 172.762 174.900 -0.012 0.000 1.280 4 G CA -0.499 44.642 45.100 0.067 0.000 0.837 4 G HN 0.014 nan 8.290 nan 0.000 0.482 5 Y N -2.269 117.653 120.300 -0.631 0.000 2.656 5 Y HA 0.761 5.311 4.550 0.001 0.000 0.334 5 Y C -1.582 173.888 175.900 -0.716 0.000 1.179 5 Y CA -2.151 55.685 58.100 -0.439 0.000 1.050 5 Y CB 0.860 39.227 38.460 -0.155 0.000 1.308 5 Y HN 0.482 nan 8.280 nan 0.000 0.456 6 F N 2.085 121.980 119.950 -0.091 0.000 2.438 6 F HA 0.259 4.786 4.527 0.001 0.000 0.356 6 F C 0.333 176.245 175.800 0.186 0.000 1.099 6 F CA -0.025 57.992 58.000 0.029 0.000 1.185 6 F CB 0.810 39.988 39.000 0.297 0.000 1.115 6 F HN 0.526 nan 8.300 nan 0.000 0.526 7 D N 3.576 124.129 120.400 0.254 0.000 2.485 7 D HA 0.142 4.783 4.640 0.001 0.000 0.221 7 D C 0.534 177.024 176.300 0.316 0.000 1.112 7 D CA -0.146 54.023 54.000 0.282 0.000 0.911 7 D CB 0.194 41.083 40.800 0.150 0.000 1.019 7 D HN 0.461 nan 8.370 nan 0.000 0.516 8 N N 1.974 120.867 118.700 0.321 0.000 2.166 8 N HA -0.141 4.600 4.740 0.001 0.000 0.186 8 N C 0.997 176.621 175.510 0.189 0.000 1.019 8 N CA 0.927 54.139 53.050 0.270 0.000 0.856 8 N CB 0.188 38.806 38.487 0.218 0.000 0.993 8 N HN 0.432 nan 8.380 nan 0.000 0.426 9 D N 0.285 120.783 120.400 0.164 0.000 2.117 9 D HA -0.095 4.545 4.640 0.001 0.000 0.197 9 D C 0.664 177.037 176.300 0.122 0.000 0.987 9 D CA 1.137 55.212 54.000 0.125 0.000 0.829 9 D CB -0.362 40.504 40.800 0.110 0.000 0.961 9 D HN 0.436 nan 8.370 nan 0.000 0.460 10 N N -0.153 118.633 118.700 0.143 0.000 2.230 10 N HA 0.111 4.851 4.740 0.001 0.000 0.202 10 N C -0.237 175.360 175.510 0.146 0.000 1.119 10 N CA -0.190 52.946 53.050 0.143 0.000 0.851 10 N CB 0.504 39.082 38.487 0.151 0.000 0.990 10 N HN -0.051 nan 8.380 nan 0.000 0.497 11 R N 1.006 121.592 120.500 0.143 0.000 3.264 11 R HA -0.202 4.139 4.340 0.001 0.000 0.251 11 R C -1.331 175.034 176.300 0.109 0.000 0.971 11 R CA 0.762 56.907 56.100 0.075 0.000 0.658 11 R CB -1.528 28.718 30.300 -0.090 0.000 1.095 11 R HN 0.459 nan 8.270 nan 0.000 0.443 12 E N -0.227 120.162 120.200 0.315 0.000 2.393 12 E HA 0.241 4.592 4.350 0.001 0.000 0.273 12 E C -1.545 175.231 176.600 0.294 0.000 0.918 12 E CA -0.924 55.678 56.400 0.336 0.000 0.773 12 E CB 1.577 31.370 29.700 0.155 0.000 1.275 12 E HN 0.201 nan 8.360 nan 0.000 0.451 13 Y N 1.338 121.614 120.300 -0.040 0.000 2.331 13 Y HA 0.376 4.926 4.550 0.001 0.000 0.338 13 Y C -1.091 174.568 175.900 -0.402 0.000 0.976 13 Y CA -0.711 57.088 58.100 -0.501 0.000 1.137 13 Y CB 0.967 38.821 38.460 -1.010 0.000 1.172 13 Y HN 0.234 nan 8.280 nan 0.000 0.478 14 V N 8.388 127.647 119.914 -1.093 0.000 2.364 14 V HA 0.286 4.407 4.120 0.001 0.000 0.272 14 V C 0.042 175.736 176.094 -0.666 0.000 1.036 14 V CA -0.659 61.151 62.300 -0.816 0.000 0.880 14 V CB 0.783 31.954 31.823 -1.088 0.000 0.991 14 V HN 0.648 nan 8.190 nan 0.000 0.460 15 I N 4.959 125.383 120.570 -0.244 0.000 2.304 15 I HA 0.217 4.387 4.170 0.001 0.000 0.291 15 I C 1.428 177.517 176.117 -0.048 0.000 1.018 15 I CA -0.076 61.198 61.300 -0.044 0.000 1.260 15 I CB 1.741 39.747 38.000 0.009 0.000 1.390 15 I HN 0.787 nan 8.210 nan 0.000 0.475 16 T N 2.583 117.132 114.554 -0.009 0.000 3.044 16 T HA 0.241 4.591 4.350 0.001 0.000 0.250 16 T C 0.812 175.521 174.700 0.014 0.000 1.081 16 T CA 0.029 62.143 62.100 0.023 0.000 1.040 16 T CB 0.137 69.041 68.868 0.061 0.000 0.962 16 T HN 0.474 nan 8.240 nan 0.000 0.506 17 R N 1.579 122.082 120.500 0.005 0.000 2.514 17 R HA 0.328 4.669 4.340 0.001 0.000 0.296 17 R C -2.491 173.776 176.300 -0.056 0.000 1.012 17 R CA -1.836 54.245 56.100 -0.031 0.000 0.897 17 R CB 2.110 32.402 30.300 -0.014 0.000 1.184 17 R HN -0.009 nan 8.270 nan 0.000 0.440 18 P HA -0.059 nan 4.420 nan 0.000 0.245 18 P C -0.240 177.025 177.300 -0.058 0.000 1.206 18 P CA 0.618 63.694 63.100 -0.040 0.000 0.781 18 P CB 0.298 31.977 31.700 -0.037 0.000 0.994 19 D N 0.484 120.704 120.400 -0.301 0.000 2.870 19 D HA 0.045 4.685 4.640 0.001 0.000 0.241 19 D C 0.304 176.488 176.300 -0.193 0.000 1.234 19 D CA -0.623 53.291 54.000 -0.142 0.000 0.844 19 D CB -0.752 39.923 40.800 -0.209 0.000 1.051 19 D HN -0.067 nan 8.370 nan 0.000 0.469 20 V N 2.086 121.717 119.914 -0.473 0.000 2.872 20 V HA 0.015 4.135 4.120 0.001 0.000 0.307 20 V C -0.593 175.135 176.094 -0.610 0.000 1.072 20 V CA -0.881 60.720 62.300 -1.165 0.000 1.148 20 V CB 0.849 31.723 31.823 -1.582 0.000 0.954 20 V HN 0.215 nan 8.190 nan 0.000 0.490 21 P HA 0.060 nan 4.420 nan 0.000 0.236 21 P C 0.060 177.291 177.300 -0.114 0.000 1.172 21 P CA 1.074 64.035 63.100 -0.231 0.000 0.759 21 P CB 0.385 31.991 31.700 -0.157 0.000 0.843 22 A N -0.797 121.944 122.820 -0.132 0.000 2.610 22 A HA 0.639 4.959 4.320 0.001 0.000 0.291 22 A C -3.191 174.485 177.584 0.153 0.000 1.086 22 A CA -1.608 50.463 52.037 0.057 0.000 0.677 22 A CB 0.579 19.658 19.000 0.132 0.000 1.278 22 A HN -0.254 nan 8.150 nan 0.000 0.414 23 P HA 0.281 nan 4.420 nan 0.000 0.276 23 P C -1.302 176.286 177.300 0.481 0.000 1.243 23 P CA 0.263 63.589 63.100 0.377 0.000 0.768 23 P CB 0.247 32.190 31.700 0.404 0.000 0.856 24 W N 3.578 125.096 121.300 0.363 0.000 2.291 24 W HA 0.307 4.968 4.660 0.001 0.000 0.312 24 W C 0.494 177.183 176.519 0.284 0.000 1.061 24 W CA -0.466 57.001 57.345 0.203 0.000 1.296 24 W CB 0.409 29.931 29.460 0.104 0.000 1.223 24 W HN 0.260 nan 8.180 nan 0.000 0.421 25 T N 0.372 115.069 114.554 0.239 0.000 2.936 25 T HA 0.674 5.025 4.350 0.001 0.000 0.282 25 T C -0.516 174.083 174.700 -0.169 0.000 1.003 25 T CA -0.608 61.401 62.100 -0.151 0.000 1.005 25 T CB 2.352 70.799 68.868 -0.702 0.000 1.097 25 T HN 0.223 nan 8.240 nan 0.000 0.532 26 N N -1.289 117.037 118.700 -0.623 0.000 2.494 26 N HA 0.418 5.159 4.740 0.001 0.000 0.270 26 N C -2.359 172.667 175.510 -0.806 0.000 1.285 26 N CA -0.784 51.926 53.050 -0.567 0.000 0.812 26 N CB 1.387 39.505 38.487 -0.614 0.000 1.557 26 N HN 0.691 nan 8.380 nan 0.000 0.487 27 Y N 0.860 120.718 120.300 -0.736 0.000 2.335 27 Y HA 0.521 5.071 4.550 0.001 0.000 0.338 27 Y C -0.261 175.516 175.900 -0.204 0.000 0.977 27 Y CA -0.568 57.181 58.100 -0.584 0.000 1.114 27 Y CB 1.233 39.280 38.460 -0.689 0.000 1.182 27 Y HN 0.261 nan 8.280 nan 0.000 0.463 28 L N 3.094 124.230 121.223 -0.144 0.000 2.325 28 L HA 0.904 5.244 4.340 0.001 0.000 0.278 28 L C 0.319 177.218 176.870 0.047 0.000 1.023 28 L CA -0.933 53.937 54.840 0.049 0.000 0.811 28 L CB 1.629 43.721 42.059 0.055 0.000 1.249 28 L HN 0.831 nan 8.230 nan 0.000 0.431 29 G N 0.855 109.801 108.800 0.244 0.000 2.770 29 G HA2 -0.006 3.955 3.960 0.001 0.000 0.686 29 G HA3 -0.006 3.955 3.960 0.001 0.000 0.686 29 G C -0.078 175.188 174.900 0.611 0.000 1.180 29 G CA -0.173 45.139 45.100 0.352 0.000 0.767 29 G HN 0.858 nan 8.290 nan 0.000 0.646 30 T N -2.364 112.473 114.554 0.473 0.000 3.087 30 T HA 0.461 4.812 4.350 0.001 0.000 0.283 30 T C 0.906 175.651 174.700 0.076 0.000 0.956 30 T CA 1.075 63.326 62.100 0.250 0.000 0.894 30 T CB 0.558 69.330 68.868 -0.160 0.000 1.160 30 T HN 0.624 nan 8.240 nan 0.000 0.532 31 E N 0.834 121.154 120.200 0.199 0.000 2.907 31 E HA 0.376 4.727 4.350 0.001 0.000 0.197 31 E C 1.149 177.788 176.600 0.064 0.000 1.150 31 E CA -0.394 56.043 56.400 0.060 0.000 1.134 31 E CB 0.515 30.291 29.700 0.126 0.000 2.214 31 E HN -0.066 nan 8.360 nan 0.000 0.541 32 K N -0.152 120.440 120.400 0.319 0.000 2.504 32 K HA 0.234 4.554 4.320 0.001 0.000 0.203 32 K C -0.143 176.677 176.600 0.367 0.000 1.350 32 K CA -0.144 56.301 56.287 0.262 0.000 0.953 32 K CB 0.478 32.998 32.500 0.033 0.000 1.243 32 K HN 0.013 nan 8.250 nan 0.000 0.534 33 F N 1.873 121.996 119.950 0.289 0.000 2.420 33 F HA 0.237 4.764 4.527 0.001 0.000 0.352 33 F C -0.209 175.433 175.800 -0.262 0.000 1.108 33 F CA -0.550 57.493 58.000 0.072 0.000 1.162 33 F CB 0.730 39.824 39.000 0.156 0.000 1.118 33 F HN -0.050 nan 8.300 nan 0.000 0.510 34 C N 5.080 123.713 119.300 -1.112 0.000 2.712 34 C HA 0.823 5.283 4.460 0.001 0.000 0.308 34 C C -0.856 173.459 174.990 -1.126 0.000 1.201 34 C CA -0.072 58.128 59.018 -1.363 0.000 1.554 34 C CB 1.244 27.491 27.740 -2.489 0.000 2.117 34 C HN 0.923 nan 8.230 nan 0.000 0.480 35 T N 4.002 118.104 114.554 -0.753 0.000 2.879 35 T HA 0.473 4.823 4.350 0.001 0.000 0.290 35 T C -0.918 173.287 174.700 -0.825 0.000 0.993 35 T CA -0.327 61.387 62.100 -0.643 0.000 0.975 35 T CB 1.480 70.169 68.868 -0.300 0.000 0.981 35 T HN 0.579 nan 8.240 nan 0.000 0.439 36 V N 4.507 123.802 119.914 -1.032 0.000 2.318 36 V HA 0.520 4.640 4.120 0.001 0.000 0.271 36 V C -0.306 175.305 176.094 -0.805 0.000 1.030 36 V CA -0.647 60.934 62.300 -1.199 0.000 0.844 36 V CB 0.631 31.724 31.823 -1.216 0.000 1.015 36 V HN 0.750 nan 8.190 nan 0.000 0.460 37 I N 4.906 125.078 120.570 -0.662 0.000 2.509 37 I HA 0.654 4.825 4.170 0.001 0.000 0.293 37 I C 0.488 176.481 176.117 -0.207 0.000 1.020 37 I CA 0.350 61.442 61.300 -0.346 0.000 1.088 37 I CB 2.345 40.227 38.000 -0.196 0.000 1.267 37 I HN 0.714 nan 8.210 nan 0.000 0.430 38 S N 5.445 121.150 115.700 0.009 0.000 2.738 38 S HA 0.317 4.787 4.470 0.001 0.000 0.284 38 S C 1.159 176.006 174.600 0.412 0.000 1.146 38 S CA -0.053 58.231 58.200 0.140 0.000 0.997 38 S CB 0.654 63.947 63.200 0.155 0.000 1.081 38 S HN 0.777 nan 8.310 nan 0.000 0.553 39 H N 0.252 119.575 119.070 0.421 0.000 2.559 39 H HA 0.158 4.715 4.556 0.001 0.000 0.273 39 H C 0.143 175.740 175.328 0.448 0.000 1.000 39 H CA 0.556 56.816 56.048 0.353 0.000 1.195 39 H CB -0.467 29.395 29.762 0.167 0.000 1.368 39 H HN 0.498 nan 8.280 nan 0.000 0.592 40 N N 0.531 119.192 118.700 -0.065 0.000 2.234 40 N HA 0.232 4.972 4.740 0.001 0.000 0.227 40 N C 0.654 176.199 175.510 0.059 0.000 1.151 40 N CA 0.669 53.704 53.050 -0.026 0.000 0.865 40 N CB 0.818 39.211 38.487 -0.156 0.000 1.066 40 N HN 0.480 nan 8.380 nan 0.000 0.515 41 A N -0.601 122.262 122.820 0.071 0.000 2.861 41 A HA -0.153 4.168 4.320 0.001 0.000 0.261 41 A C 0.963 178.524 177.584 -0.038 0.000 1.351 41 A CA 1.112 53.055 52.037 -0.158 0.000 0.904 41 A CB -2.042 16.717 19.000 -0.402 0.000 1.076 41 A HN 0.380 nan 8.150 nan 0.000 0.729 42 G N -2.117 106.767 108.800 0.141 0.000 2.507 42 G HA2 0.775 4.736 3.960 0.001 0.000 0.271 42 G HA3 0.775 4.736 3.960 0.001 0.000 0.271 42 G C 0.701 175.683 174.900 0.136 0.000 1.189 42 G CA 0.737 45.959 45.100 0.204 0.000 0.859 42 G HN 2.381 nan 8.290 nan 0.000 0.542 43 G N -0.677 108.127 108.800 0.007 0.000 2.325 43 G HA2 0.527 4.487 3.960 0.001 0.000 0.285 43 G HA3 0.527 4.487 3.960 0.001 0.000 0.285 43 G C -1.082 173.614 174.900 -0.340 0.000 1.303 43 G CA -0.049 44.858 45.100 -0.322 0.000 0.970 43 G HN 1.962 nan 8.290 nan 0.000 0.490 44 Y N -2.381 117.615 120.300 -0.507 0.000 2.689 44 Y HA 0.866 5.416 4.550 0.001 0.000 0.333 44 Y C -0.255 175.477 175.900 -0.280 0.000 1.208 44 Y CA -0.804 57.101 58.100 -0.325 0.000 1.055 44 Y CB 0.976 39.301 38.460 -0.225 0.000 1.304 44 Y HN 0.877 nan 8.280 nan 0.000 0.455 45 S N 1.291 116.971 115.700 -0.034 0.000 2.600 45 S HA 0.844 5.314 4.470 0.001 0.000 0.300 45 S C -1.422 173.085 174.600 -0.156 0.000 1.087 45 S CA -0.694 57.319 58.200 -0.312 0.000 0.965 45 S CB 1.563 64.548 63.200 -0.359 0.000 1.089 45 S HN 0.793 nan 8.310 nan 0.000 0.496 46 F N -0.389 119.268 119.950 -0.489 0.000 2.662 46 F HA 0.737 5.265 4.527 0.001 0.000 0.312 46 F C -1.757 173.856 175.800 -0.312 0.000 1.113 46 F CA -1.409 56.430 58.000 -0.268 0.000 0.951 46 F CB 1.023 39.985 39.000 -0.064 0.000 1.344 46 F HN 0.546 nan 8.300 nan 0.000 0.462 47 Y N 3.185 123.511 120.300 0.044 0.000 2.338 47 Y HA 0.389 4.939 4.550 0.001 0.000 0.328 47 Y C 0.680 176.803 175.900 0.372 0.000 0.965 47 Y CA -0.432 57.729 58.100 0.103 0.000 1.208 47 Y CB 0.860 39.427 38.460 0.178 0.000 1.132 47 Y HN 1.037 nan 8.280 nan 0.000 0.469 48 N N 1.878 120.511 118.700 -0.111 0.000 2.568 48 N HA -0.290 4.450 4.740 0.001 0.000 0.218 48 N C -0.638 175.057 175.510 0.309 0.000 0.244 48 N CA 2.177 55.245 53.050 0.029 0.000 4.081 48 N CB -1.275 37.065 38.487 -0.245 0.000 0.872 48 N HN 0.537 nan 8.380 nan 0.000 0.235 49 S N 0.216 116.087 115.700 0.284 0.000 2.438 49 S HA 0.518 4.988 4.470 0.001 0.000 0.316 49 S C -1.807 172.796 174.600 0.006 0.000 1.084 49 S CA -1.196 57.092 58.200 0.147 0.000 1.107 49 S CB 1.702 65.019 63.200 0.196 0.000 0.981 49 S HN 0.320 nan 8.310 nan 0.000 0.466 50 P HA -0.078 nan 4.420 nan 0.000 0.219 50 P C 1.005 178.103 177.300 -0.338 0.000 1.150 50 P CA 0.854 63.530 63.100 -0.708 0.000 0.814 50 P CB 0.332 31.421 31.700 -1.018 0.000 0.787 51 E N -0.372 119.604 120.200 -0.374 0.000 2.107 51 E HA -0.146 4.204 4.350 0.001 0.000 0.191 51 E C 1.135 177.354 176.600 -0.635 0.000 0.982 51 E CA 1.311 57.370 56.400 -0.567 0.000 0.809 51 E CB -0.570 28.617 29.700 -0.855 0.000 0.756 51 E HN 0.249 nan 8.360 nan 0.000 0.459 52 Y N -0.798 119.469 120.300 -0.056 0.000 2.445 52 Y HA 0.398 4.948 4.550 0.001 0.000 0.247 52 Y C 0.358 176.392 175.900 0.223 0.000 1.129 52 Y CA -0.170 57.900 58.100 -0.049 0.000 1.251 52 Y CB 0.697 39.073 38.460 -0.140 0.000 1.176 52 Y HN -0.017 nan 8.280 nan 0.000 0.522 53 N N 0.747 119.649 118.700 0.337 0.000 2.622 53 N HA 0.101 4.842 4.740 0.001 0.000 0.304 53 N C -0.461 175.267 175.510 0.362 0.000 1.844 53 N CA -0.206 53.099 53.050 0.425 0.000 0.886 53 N CB 0.792 39.579 38.487 0.500 0.000 1.366 53 N HN 0.187 nan 8.380 nan 0.000 0.491 54 R N 0.550 121.217 120.500 0.279 0.000 2.543 54 R HA 0.198 4.539 4.340 0.001 0.000 0.277 54 R C 0.699 177.100 176.300 0.168 0.000 1.074 54 R CA -0.045 56.177 56.100 0.204 0.000 1.076 54 R CB 0.886 31.243 30.300 0.095 0.000 0.993 54 R HN -0.138 nan 8.270 nan 0.000 0.459 55 V N 2.158 122.053 119.914 -0.031 0.000 2.672 55 V HA 0.020 4.140 4.120 0.001 0.000 0.242 55 V C 0.629 176.654 176.094 -0.115 0.000 1.059 55 V CA 1.476 63.553 62.300 -0.370 0.000 1.081 55 V CB 0.500 31.988 31.823 -0.558 0.000 0.752 55 V HN 0.993 nan 8.190 nan 0.000 0.472 56 T N -1.450 113.088 114.554 -0.026 0.000 2.907 56 T HA 0.528 4.879 4.350 0.001 0.000 0.292 56 T C -0.620 174.088 174.700 0.013 0.000 1.043 56 T CA -0.812 61.264 62.100 -0.041 0.000 1.003 56 T CB 2.366 71.222 68.868 -0.020 0.000 1.084 56 T HN 0.118 nan 8.240 nan 0.000 0.483 57 K N 0.505 120.879 120.400 -0.043 0.000 2.120 57 K HA 0.587 4.907 4.320 0.001 0.000 0.245 57 K C -1.234 175.427 176.600 0.101 0.000 1.024 57 K CA -0.582 55.698 56.287 -0.012 0.000 0.906 57 K CB 0.460 32.924 32.500 -0.059 0.000 1.051 57 K HN 0.565 nan 8.250 nan 0.000 0.491 58 F N 0.741 120.591 119.950 -0.167 0.000 2.605 58 F HA 0.259 4.787 4.527 0.001 0.000 0.320 58 F C -1.135 174.562 175.800 -0.171 0.000 1.159 58 F CA -0.720 57.167 58.000 -0.189 0.000 0.999 58 F CB 1.372 40.187 39.000 -0.309 0.000 1.258 58 F HN 0.297 nan 8.300 nan 0.000 0.464 59 R N 6.923 127.004 120.500 -0.699 0.000 2.280 59 R HA 0.360 4.700 4.340 0.001 0.000 0.326 59 R C -2.579 173.167 176.300 -0.923 0.000 1.080 59 R CA -1.597 54.178 56.100 -0.543 0.000 1.002 59 R CB 0.862 30.981 30.300 -0.302 0.000 1.136 59 R HN 0.342 nan 8.270 nan 0.000 0.509 60 P HA 0.043 nan 4.420 nan 0.000 0.276 60 P C -0.368 176.779 177.300 -0.255 0.000 1.261 60 P CA -0.398 62.374 63.100 -0.547 0.000 0.800 60 P CB 0.612 32.211 31.700 -0.168 0.000 1.066 61 N N -1.941 116.688 118.700 -0.118 0.000 2.721 61 N HA -0.195 4.545 4.740 0.001 0.000 0.249 61 N C -0.898 174.573 175.510 -0.064 0.000 1.072 61 N CA 1.013 54.039 53.050 -0.041 0.000 0.710 61 N CB -1.475 37.000 38.487 -0.019 0.000 0.993 61 N HN 0.670 nan 8.380 nan 0.000 0.547 62 A N -1.657 121.105 122.820 -0.097 0.000 2.344 62 A HA 0.689 5.010 4.320 0.001 0.000 0.307 62 A C 1.533 179.065 177.584 -0.087 0.000 1.151 62 A CA 0.134 52.119 52.037 -0.088 0.000 0.842 62 A CB 0.316 19.256 19.000 -0.100 0.000 1.350 62 A HN 0.601 nan 8.150 nan 0.000 0.459 63 T N -1.936 112.529 114.554 -0.147 0.000 2.962 63 T HA 0.102 4.452 4.350 0.001 0.000 0.270 63 T C 0.046 174.506 174.700 -0.401 0.000 1.088 63 T CA 1.114 63.037 62.100 -0.295 0.000 1.127 63 T CB -0.512 68.091 68.868 -0.442 0.000 0.883 63 T HN 0.274 nan 8.240 nan 0.000 0.493 64 F N 2.362 122.282 119.950 -0.050 0.000 2.546 64 F HA 0.445 4.973 4.527 0.001 0.000 0.320 64 F C -0.540 175.229 175.800 -0.050 0.000 1.076 64 F CA -2.430 55.539 58.000 -0.051 0.000 0.928 64 F CB 1.564 40.517 39.000 -0.079 0.000 1.189 64 F HN 0.063 nan 8.300 nan 0.000 0.465 65 D N 2.105 122.651 120.400 0.243 0.000 2.499 65 D HA 0.321 4.962 4.640 0.001 0.000 0.225 65 D C -0.331 176.103 176.300 0.222 0.000 1.124 65 D CA -0.401 53.716 54.000 0.195 0.000 0.938 65 D CB 0.147 41.204 40.800 0.427 0.000 1.014 65 D HN 0.466 nan 8.370 nan 0.000 0.517 66 R N 1.607 122.136 120.500 0.047 0.000 2.854 66 R HA 0.569 4.909 4.340 0.001 0.000 0.271 66 R C -2.497 173.805 176.300 0.003 0.000 0.994 66 R CA -1.781 54.397 56.100 0.130 0.000 0.945 66 R CB 2.399 32.771 30.300 0.121 0.000 1.194 66 R HN 0.201 nan 8.270 nan 0.000 0.476 67 P HA 0.328 nan 4.420 nan 0.000 0.307 67 P C -0.519 176.818 177.300 0.062 0.000 1.306 67 P CA -0.169 63.064 63.100 0.221 0.000 0.742 67 P CB 0.868 32.715 31.700 0.244 0.000 1.349 68 G N -2.254 106.294 108.800 -0.420 0.000 2.753 68 G HA2 0.339 4.299 3.960 0.001 0.000 0.303 68 G HA3 0.339 4.299 3.960 0.001 0.000 0.303 68 G C -1.600 172.831 174.900 -0.781 0.000 1.242 68 G CA -0.545 44.109 45.100 -0.744 0.000 0.810 68 G HN 0.568 nan 8.290 nan 0.000 0.515 69 H N 0.416 118.925 119.070 -0.936 0.000 2.683 69 H HA 0.409 4.966 4.556 0.001 0.000 0.270 69 H C -1.024 173.801 175.328 -0.837 0.000 1.201 69 H CA -0.382 55.169 56.048 -0.829 0.000 1.277 69 H CB 0.617 29.802 29.762 -0.962 0.000 1.400 69 H HN 0.255 nan 8.280 nan 0.000 0.504 70 Y N 0.972 121.222 120.300 -0.083 0.000 2.420 70 Y HA 0.384 4.934 4.550 0.001 0.000 0.334 70 Y C 0.115 176.047 175.900 0.054 0.000 1.094 70 Y CA -1.200 56.806 58.100 -0.157 0.000 1.126 70 Y CB 1.338 39.639 38.460 -0.265 0.000 1.217 70 Y HN 0.182 nan 8.280 nan 0.000 0.462 71 V N 3.493 123.485 119.914 0.130 0.000 2.443 71 V HA 0.342 4.462 4.120 0.001 0.000 0.293 71 V C -1.220 174.943 176.094 0.115 0.000 1.021 71 V CA -1.208 61.276 62.300 0.307 0.000 0.848 71 V CB 0.640 32.723 31.823 0.433 0.000 0.998 71 V HN 0.597 nan 8.190 nan 0.000 0.424 72 Y N 4.926 125.414 120.300 0.315 0.000 2.342 72 Y HA 0.659 5.209 4.550 0.001 0.000 0.334 72 Y C 0.173 176.160 175.900 0.145 0.000 1.067 72 Y CA -0.623 57.571 58.100 0.156 0.000 1.128 72 Y CB 1.410 39.923 38.460 0.089 0.000 1.200 72 Y HN 0.401 nan 8.280 nan 0.000 0.464 73 L N 4.194 125.354 121.223 -0.105 0.000 2.334 73 L HA 0.674 5.015 4.340 0.001 0.000 0.276 73 L C -0.370 176.213 176.870 -0.478 0.000 1.014 73 L CA -0.961 53.662 54.840 -0.361 0.000 0.815 73 L CB 2.182 43.721 42.059 -0.866 0.000 1.268 73 L HN 0.581 nan 8.230 nan 0.000 0.428 74 R N 1.339 121.787 120.500 -0.087 0.000 2.621 74 R HA 0.232 4.572 4.340 0.001 0.000 0.284 74 R C -1.486 174.974 176.300 0.266 0.000 0.998 74 R CA -0.673 55.521 56.100 0.157 0.000 0.895 74 R CB 1.973 32.442 30.300 0.282 0.000 1.195 74 R HN 0.579 nan 8.270 nan 0.000 0.450 75 D N 2.892 123.548 120.400 0.426 0.000 2.365 75 D HA 0.048 4.688 4.640 0.001 0.000 0.237 75 D C -0.211 176.241 176.300 0.252 0.000 1.190 75 D CA -0.104 54.119 54.000 0.371 0.000 0.867 75 D CB 1.216 42.255 40.800 0.399 0.000 1.050 75 D HN 0.493 nan 8.370 nan 0.000 0.491 76 D N 2.646 123.164 120.400 0.197 0.000 2.378 76 D HA -0.082 4.558 4.640 0.001 0.000 0.227 76 D C 0.732 177.101 176.300 0.115 0.000 1.012 76 D CA 0.437 54.525 54.000 0.147 0.000 0.905 76 D CB 0.480 41.352 40.800 0.120 0.000 0.895 76 D HN 0.493 nan 8.370 nan 0.000 0.532 77 D N -0.694 119.777 120.400 0.119 0.000 2.240 77 D HA -0.039 4.601 4.640 0.001 0.000 0.206 77 D C 2.020 178.372 176.300 0.087 0.000 0.963 77 D CA 0.742 54.795 54.000 0.089 0.000 0.863 77 D CB 0.294 41.142 40.800 0.081 0.000 0.973 77 D HN 0.212 nan 8.370 nan 0.000 0.501 78 S N -1.483 114.285 115.700 0.112 0.000 2.514 78 S HA 0.329 4.799 4.470 0.001 0.000 0.223 78 S C 1.771 176.443 174.600 0.121 0.000 1.046 78 S CA 0.788 59.050 58.200 0.104 0.000 0.914 78 S CB 1.212 64.474 63.200 0.104 0.000 0.807 78 S HN 0.222 nan 8.310 nan 0.000 0.497 79 G N 1.331 110.227 108.800 0.161 0.000 2.175 79 G HA2 -0.237 3.724 3.960 0.001 0.000 0.244 79 G HA3 -0.237 3.724 3.960 0.001 0.000 0.244 79 G C -0.239 174.816 174.900 0.258 0.000 0.982 79 G CA 0.144 45.349 45.100 0.176 0.000 0.641 79 G HN 0.707 nan 8.290 nan 0.000 0.527 80 D N 0.527 121.090 120.400 0.273 0.000 2.382 80 D HA 0.528 5.168 4.640 0.001 0.000 0.245 80 D C 0.310 176.939 176.300 0.548 0.000 1.120 80 D CA 0.218 54.406 54.000 0.314 0.000 0.890 80 D CB 0.150 41.132 40.800 0.304 0.000 1.201 80 D HN 0.662 nan 8.370 nan 0.000 0.433 81 Y N 0.263 120.828 120.300 0.441 0.000 2.588 81 Y HA 0.739 5.290 4.550 0.001 0.000 0.343 81 Y C -1.368 174.870 175.900 0.564 0.000 1.065 81 Y CA -1.481 56.869 58.100 0.417 0.000 1.038 81 Y CB 0.817 39.330 38.460 0.089 0.000 1.297 81 Y HN 0.531 nan 8.280 nan 0.000 0.467 82 W N 0.303 121.821 121.300 0.364 0.000 3.066 82 W HA 0.791 5.452 4.660 0.001 0.000 0.330 82 W C -1.899 174.781 176.519 0.268 0.000 1.253 82 W CA -1.109 56.361 57.345 0.208 0.000 1.187 82 W CB 0.778 30.263 29.460 0.042 0.000 1.434 82 W HN 0.779 nan 8.180 nan 0.000 0.572 83 S N 0.514 116.351 115.700 0.229 0.000 2.638 83 S HA 0.479 4.949 4.470 0.001 0.000 0.298 83 S C 0.424 175.176 174.600 0.254 0.000 1.111 83 S CA -0.887 57.319 58.200 0.010 0.000 1.027 83 S CB 1.833 64.864 63.200 -0.283 0.000 1.064 83 S HN 0.614 nan 8.310 nan 0.000 0.525 84 I N 1.143 121.815 120.570 0.169 0.000 2.315 84 I HA -0.098 4.072 4.170 0.001 0.000 0.248 84 I C 1.278 177.639 176.117 0.405 0.000 1.117 84 I CA 0.623 62.113 61.300 0.316 0.000 1.404 84 I CB -0.461 37.663 38.000 0.206 0.000 1.071 84 I HN 0.726 nan 8.210 nan 0.000 0.419 85 S N -0.528 115.260 115.700 0.147 0.000 2.610 85 S HA 0.007 4.477 4.470 0.001 0.000 0.273 85 S C 0.346 174.927 174.600 -0.032 0.000 1.274 85 S CA -0.779 57.481 58.200 0.100 0.000 1.023 85 S CB 1.299 64.413 63.200 -0.143 0.000 0.962 85 S HN 0.384 nan 8.310 nan 0.000 0.523 86 W N 2.335 123.303 121.300 -0.554 0.000 2.329 86 W HA -0.049 4.612 4.660 0.001 0.000 0.324 86 W C 0.891 177.145 176.519 -0.443 0.000 1.222 86 W CA 1.367 58.118 57.345 -0.991 0.000 1.270 86 W CB -0.641 28.287 29.460 -0.887 0.000 1.167 86 W HN 0.585 nan 8.180 nan 0.000 0.467 87 Q N 0.848 120.336 119.800 -0.520 0.000 2.368 87 Q HA 0.046 4.386 4.340 0.001 0.000 0.237 87 Q C -1.123 174.508 176.000 -0.615 0.000 0.987 87 Q CA -0.999 54.402 55.803 -0.671 0.000 0.896 87 Q CB 0.170 28.622 28.738 -0.477 0.000 1.241 87 Q HN 0.152 nan 8.270 nan 0.000 0.485 88 P HA -0.014 nan 4.420 nan 0.000 0.235 88 P C 1.040 178.023 177.300 -0.528 0.000 1.177 88 P CA 0.482 63.152 63.100 -0.716 0.000 0.785 88 P CB 0.436 31.672 31.700 -0.772 0.000 0.885 89 V N 0.977 120.675 119.914 -0.360 0.000 2.515 89 V HA -0.039 4.082 4.120 0.001 0.000 0.250 89 V C 1.507 177.419 176.094 -0.302 0.000 1.058 89 V CA 1.253 63.447 62.300 -0.175 0.000 1.064 89 V CB -1.838 30.022 31.823 0.061 0.000 0.675 89 V HN 0.296 nan 8.190 nan 0.000 0.461 90 A N -0.034 122.467 122.820 -0.532 0.000 2.667 90 A HA -0.220 4.101 4.320 0.001 0.000 0.298 90 A C 0.539 178.050 177.584 -0.122 0.000 1.483 90 A CA 0.531 52.096 52.037 -0.785 0.000 0.738 90 A CB -1.657 16.843 19.000 -0.834 0.000 1.067 90 A HN 0.354 nan 8.150 nan 0.000 0.451 91 K N 0.791 121.239 120.400 0.081 0.000 2.436 91 K HA 0.186 4.507 4.320 0.001 0.000 0.275 91 K C 1.027 177.809 176.600 0.303 0.000 0.999 91 K CA 0.726 57.074 56.287 0.101 0.000 0.980 91 K CB 0.795 33.239 32.500 -0.093 0.000 0.919 91 K HN 0.856 nan 8.250 nan 0.000 0.484 92 S N 2.835 118.632 115.700 0.162 0.000 2.593 92 S HA -0.066 4.405 4.470 0.001 0.000 0.300 92 S C 1.508 176.209 174.600 0.169 0.000 1.267 92 S CA -0.217 58.091 58.200 0.179 0.000 1.065 92 S CB 0.114 63.375 63.200 0.101 0.000 0.807 92 S HN 0.479 nan 8.310 nan 0.000 0.499 93 L N 3.640 124.939 121.223 0.126 0.000 2.622 93 L HA 0.022 4.362 4.340 0.001 0.000 0.233 93 L C 1.301 178.184 176.870 0.021 0.000 1.156 93 L CA 0.471 55.324 54.840 0.021 0.000 0.866 93 L CB -0.298 41.678 42.059 -0.139 0.000 0.980 93 L HN 0.638 nan 8.230 nan 0.000 0.448 94 D N -0.270 120.156 120.400 0.043 0.000 2.354 94 D HA -0.038 4.602 4.640 0.001 0.000 0.209 94 D C 1.572 177.899 176.300 0.045 0.000 1.015 94 D CA 0.623 54.641 54.000 0.031 0.000 0.867 94 D CB 0.595 41.413 40.800 0.030 0.000 0.933 94 D HN 0.460 nan 8.370 nan 0.000 0.520 95 E N -0.022 120.223 120.200 0.075 0.000 2.332 95 E HA 0.257 4.607 4.350 0.001 0.000 0.202 95 E C 0.435 177.133 176.600 0.165 0.000 0.877 95 E CA -0.024 56.452 56.400 0.126 0.000 0.979 95 E CB 1.058 30.876 29.700 0.197 0.000 0.969 95 E HN -0.020 nan 8.360 nan 0.000 0.495 96 A N 1.487 124.355 122.820 0.081 0.000 2.350 96 A HA 0.414 4.734 4.320 0.001 0.000 0.324 96 A C -0.903 176.615 177.584 -0.110 0.000 1.118 96 A CA -0.460 51.553 52.037 -0.039 0.000 0.783 96 A CB 1.308 20.167 19.000 -0.235 0.000 1.236 96 A HN 0.039 nan 8.150 nan 0.000 0.457 97 Q N 1.622 121.296 119.800 -0.210 0.000 2.325 97 Q HA 0.562 4.903 4.340 0.001 0.000 0.262 97 Q C -1.946 173.892 176.000 -0.270 0.000 0.968 97 Q CA -0.294 55.427 55.803 -0.137 0.000 0.877 97 Q CB 0.855 29.561 28.738 -0.054 0.000 1.253 97 Q HN 0.702 nan 8.270 nan 0.000 0.448 98 Y N 1.550 121.867 120.300 0.029 0.000 2.468 98 Y HA 0.405 4.955 4.550 0.001 0.000 0.342 98 Y C -0.250 175.681 175.900 0.051 0.000 1.021 98 Y CA -0.621 57.523 58.100 0.073 0.000 1.079 98 Y CB 2.206 40.717 38.460 0.086 0.000 1.226 98 Y HN 0.561 nan 8.280 nan 0.000 0.460 99 Q N 2.557 122.494 119.800 0.228 0.000 2.315 99 Q HA 0.640 4.981 4.340 0.001 0.000 0.273 99 Q C -2.190 173.854 176.000 0.073 0.000 1.053 99 Q CA -0.802 55.068 55.803 0.111 0.000 0.817 99 Q CB 2.031 30.812 28.738 0.071 0.000 1.326 99 Q HN 0.722 nan 8.270 nan 0.000 0.423 100 I N 2.585 123.130 120.570 -0.043 0.000 2.466 100 I HA 0.473 4.644 4.170 0.001 0.000 0.289 100 I C -0.705 175.238 176.117 -0.290 0.000 1.026 100 I CA -0.322 60.837 61.300 -0.235 0.000 1.078 100 I CB 2.070 39.894 38.000 -0.294 0.000 1.249 100 I HN 0.437 nan 8.210 nan 0.000 0.429 101 R N 4.528 124.854 120.500 -0.289 0.000 2.320 101 R HA 0.444 4.784 4.340 0.001 0.000 0.319 101 R C -1.030 175.192 176.300 -0.130 0.000 0.969 101 R CA -0.895 55.102 56.100 -0.171 0.000 0.857 101 R CB 0.884 31.166 30.300 -0.030 0.000 1.160 101 R HN 0.480 nan 8.270 nan 0.000 0.491 102 H N 1.246 120.264 119.070 -0.086 0.000 2.668 102 H HA 0.322 4.878 4.556 0.001 0.000 0.303 102 H C 0.518 175.788 175.328 -0.098 0.000 1.074 102 H CA -0.206 55.783 56.048 -0.097 0.000 1.406 102 H CB 1.650 31.353 29.762 -0.098 0.000 1.442 102 H HN 0.814 nan 8.280 nan 0.000 0.482 103 G N 1.636 110.224 108.800 -0.354 0.000 3.016 103 G HA2 0.394 4.355 3.960 0.001 0.000 0.270 103 G HA3 0.394 4.355 3.960 0.001 0.000 0.270 103 G C -0.836 173.496 174.900 -0.947 0.000 1.352 103 G CA -0.837 43.742 45.100 -0.868 0.000 1.060 103 G HN 0.378 nan 8.290 nan 0.000 0.538 104 L N 1.240 121.779 121.223 -1.139 0.000 2.433 104 L HA 0.308 4.648 4.340 0.001 0.000 0.284 104 L C 0.989 177.488 176.870 -0.618 0.000 1.120 104 L CA 0.684 54.651 54.840 -1.455 0.000 0.879 104 L CB 0.296 41.228 42.059 -1.878 0.000 1.232 104 L HN 0.640 nan 8.230 nan 0.000 0.454 105 S N 2.241 117.834 115.700 -0.180 0.000 3.593 105 S HA -0.191 4.280 4.470 0.001 0.000 0.301 105 S C -0.395 174.389 174.600 0.306 0.000 1.209 105 S CA 1.311 59.657 58.200 0.243 0.000 0.878 105 S CB -2.063 61.418 63.200 0.469 0.000 1.000 105 S HN 0.758 nan 8.310 nan 0.000 0.578 106 Y N -2.653 117.747 120.300 0.166 0.000 2.604 106 Y HA 0.766 5.316 4.550 0.001 0.000 0.331 106 Y C -0.889 175.147 175.900 0.227 0.000 1.158 106 Y CA -1.090 57.160 58.100 0.249 0.000 1.056 106 Y CB 0.771 39.388 38.460 0.262 0.000 1.330 106 Y HN -0.018 nan 8.280 nan 0.000 0.457 107 S N 2.031 117.990 115.700 0.432 0.000 2.571 107 S HA 0.543 5.013 4.470 0.001 0.000 0.284 107 S C -1.413 173.283 174.600 0.160 0.000 1.128 107 S CA -1.122 57.213 58.200 0.225 0.000 0.970 107 S CB 1.412 64.731 63.200 0.198 0.000 1.039 107 S HN 0.548 nan 8.310 nan 0.000 0.485 108 K N 2.175 122.566 120.400 -0.014 0.000 2.235 108 K HA 0.538 4.859 4.320 0.001 0.000 0.266 108 K C -1.368 175.080 176.600 -0.254 0.000 0.980 108 K CA -0.267 56.020 56.287 0.002 0.000 0.849 108 K CB 1.073 33.619 32.500 0.076 0.000 1.098 108 K HN 0.411 nan 8.250 nan 0.000 0.445 109 F N 1.574 121.587 119.950 0.106 0.000 2.469 109 F HA 0.351 4.878 4.527 0.001 0.000 0.332 109 F C 0.246 176.110 175.800 0.106 0.000 1.103 109 F CA -0.626 57.443 58.000 0.115 0.000 0.979 109 F CB 1.991 41.063 39.000 0.120 0.000 1.137 109 F HN 0.360 nan 8.300 nan 0.000 0.463 110 Q N 2.409 122.377 119.800 0.280 0.000 2.359 110 Q HA 0.632 4.973 4.340 0.001 0.000 0.274 110 Q C -1.908 174.197 176.000 0.174 0.000 1.074 110 Q CA -0.656 55.245 55.803 0.162 0.000 0.810 110 Q CB 2.696 31.503 28.738 0.114 0.000 1.342 110 Q HN 0.879 nan 8.270 nan 0.000 0.427 111 C N 3.339 122.675 119.300 0.059 0.000 2.551 111 C HA 0.552 5.013 4.460 0.001 0.000 0.332 111 C C -1.681 173.283 174.990 -0.043 0.000 1.139 111 C CA -0.382 58.583 59.018 -0.089 0.000 1.328 111 C CB 1.099 28.878 27.740 0.065 0.000 1.903 111 C HN 0.848 nan 8.230 nan 0.000 0.459 112 D N 4.251 124.596 120.400 -0.091 0.000 2.440 112 D HA 0.387 5.027 4.640 0.001 0.000 0.239 112 D C -1.477 174.809 176.300 -0.024 0.000 1.084 112 D CA 0.171 54.186 54.000 0.025 0.000 0.843 112 D CB 1.677 42.520 40.800 0.073 0.000 1.097 112 D HN 0.677 nan 8.370 nan 0.000 0.531 113 Y N 2.514 122.683 120.300 -0.219 0.000 2.401 113 Y HA 0.166 4.716 4.550 0.001 0.000 0.330 113 Y C 0.021 175.702 175.900 -0.365 0.000 1.071 113 Y CA -1.058 56.821 58.100 -0.368 0.000 1.049 113 Y CB 0.954 39.017 38.460 -0.661 0.000 1.239 113 Y HN 0.315 nan 8.280 nan 0.000 0.437 114 N N 4.163 122.383 118.700 -0.801 0.000 2.698 114 N HA -0.184 4.556 4.740 0.001 0.000 0.258 114 N C 0.804 176.070 175.510 -0.407 0.000 0.978 114 N CA 2.394 55.008 53.050 -0.727 0.000 0.777 114 N CB -1.056 36.721 38.487 -1.183 0.000 0.907 114 N HN 1.752 nan 8.380 nan 0.000 0.543 115 G N -1.625 107.044 108.800 -0.219 0.000 2.176 115 G HA2 -0.237 3.723 3.960 0.001 0.000 0.253 115 G HA3 -0.237 3.723 3.960 0.001 0.000 0.253 115 G C -0.107 174.791 174.900 -0.004 0.000 0.979 115 G CA 0.338 45.384 45.100 -0.091 0.000 0.641 115 G HN 0.450 nan 8.290 nan 0.000 0.530 116 I N 0.857 121.433 120.570 0.010 0.000 2.436 116 I HA 0.403 4.573 4.170 0.001 0.000 0.289 116 I C -0.127 176.126 176.117 0.227 0.000 1.010 116 I CA -1.243 60.164 61.300 0.178 0.000 1.098 116 I CB 1.466 39.687 38.000 0.369 0.000 1.266 116 I HN 0.262 nan 8.210 nan 0.000 0.434 117 H N 5.644 124.799 119.070 0.142 0.000 2.476 117 H HA 0.783 5.340 4.556 0.001 0.000 0.328 117 H C -0.999 174.431 175.328 0.171 0.000 1.073 117 H CA -0.388 55.736 56.048 0.126 0.000 1.229 117 H CB 1.418 31.223 29.762 0.073 0.000 1.432 117 H HN 0.737 nan 8.280 nan 0.000 0.477 118 A N 5.700 128.330 122.820 -0.317 0.000 2.422 118 A HA 0.713 5.033 4.320 0.001 0.000 0.302 118 A C -0.891 176.550 177.584 -0.238 0.000 1.041 118 A CA -0.948 50.998 52.037 -0.152 0.000 0.708 118 A CB 1.357 20.446 19.000 0.149 0.000 1.257 118 A HN 0.810 nan 8.150 nan 0.000 0.414 119 R N 1.044 121.467 120.500 -0.130 0.000 2.686 119 R HA 0.635 4.976 4.340 0.001 0.000 0.283 119 R C -1.105 175.225 176.300 0.051 0.000 0.978 119 R CA -0.792 55.293 56.100 -0.026 0.000 0.897 119 R CB 2.751 33.038 30.300 -0.022 0.000 1.192 119 R HN 0.685 nan 8.270 nan 0.000 0.457 120 K N 1.785 122.277 120.400 0.155 0.000 2.578 120 K HA 0.292 4.613 4.320 0.001 0.000 0.250 120 K C -1.460 175.317 176.600 0.294 0.000 0.955 120 K CA -0.317 56.087 56.287 0.195 0.000 0.825 120 K CB 2.113 34.732 32.500 0.199 0.000 1.151 120 K HN 0.509 nan 8.250 nan 0.000 0.432 121 T N 5.119 119.814 114.554 0.235 0.000 2.758 121 T HA 0.391 4.741 4.350 0.001 0.000 0.285 121 T C -0.340 174.611 174.700 0.417 0.000 0.981 121 T CA -0.549 61.731 62.100 0.301 0.000 0.965 121 T CB 0.449 69.395 68.868 0.131 0.000 0.927 121 T HN 0.387 nan 8.240 nan 0.000 0.448 122 L N 5.606 127.102 121.223 0.453 0.000 2.296 122 L HA 0.780 5.120 4.340 0.001 0.000 0.286 122 L C -0.597 176.595 176.870 0.537 0.000 1.023 122 L CA -0.960 54.091 54.840 0.352 0.000 0.812 122 L CB 0.665 42.829 42.059 0.176 0.000 1.223 122 L HN 0.729 nan 8.230 nan 0.000 0.421 123 F N 1.227 121.322 119.950 0.242 0.000 2.688 123 F HA 0.601 5.129 4.527 0.001 0.000 0.308 123 F C -1.513 174.403 175.800 0.193 0.000 1.117 123 F CA -1.144 57.008 58.000 0.255 0.000 0.976 123 F CB 1.180 40.390 39.000 0.350 0.000 1.291 123 F HN -0.051 nan 8.300 nan 0.000 0.439 124 V N 4.316 124.364 119.914 0.225 0.000 2.333 124 V HA 0.403 4.523 4.120 0.001 0.000 0.274 124 V C -1.956 174.242 176.094 0.172 0.000 1.028 124 V CA -1.667 60.689 62.300 0.093 0.000 0.851 124 V CB 1.033 32.983 31.823 0.211 0.000 1.000 124 V HN 0.632 nan 8.190 nan 0.000 0.456 125 P HA 0.183 nan 4.420 nan 0.000 0.271 125 P C -0.481 176.921 177.300 0.170 0.000 1.216 125 P CA -0.443 62.780 63.100 0.205 0.000 0.776 125 P CB 0.947 32.743 31.700 0.160 0.000 0.881 126 K N 1.163 121.663 120.400 0.167 0.000 2.382 126 K HA 0.315 4.635 4.320 0.001 0.000 0.275 126 K C 1.306 177.978 176.600 0.120 0.000 1.009 126 K CA 0.702 57.061 56.287 0.120 0.000 0.970 126 K CB -0.215 32.339 32.500 0.089 0.000 0.934 126 K HN 0.830 nan 8.250 nan 0.000 0.479 127 G N 1.326 110.189 108.800 0.105 0.000 2.195 127 G HA2 -0.192 3.768 3.960 0.001 0.000 0.246 127 G HA3 -0.192 3.768 3.960 0.001 0.000 0.246 127 G C -0.180 174.773 174.900 0.089 0.000 0.984 127 G CA -0.132 45.020 45.100 0.086 0.000 0.633 127 G HN 0.542 nan 8.290 nan 0.000 0.525 128 E N 0.405 120.671 120.200 0.111 0.000 2.343 128 E HA 0.458 4.809 4.350 0.001 0.000 0.270 128 E C -1.351 175.318 176.600 0.115 0.000 0.895 128 E CA -0.751 55.711 56.400 0.104 0.000 0.767 128 E CB 1.349 31.106 29.700 0.095 0.000 1.248 128 E HN 0.183 nan 8.360 nan 0.000 0.440 129 D N 1.175 121.655 120.400 0.132 0.000 2.772 129 D HA 0.493 5.134 4.640 0.001 0.000 0.273 129 D C -0.532 175.552 176.300 -0.361 0.000 1.233 129 D CA -0.010 54.086 54.000 0.159 0.000 0.984 129 D CB 0.651 41.730 40.800 0.466 0.000 1.000 129 D HN 0.408 nan 8.370 nan 0.000 0.514 130 A N 0.854 123.257 122.820 -0.695 0.000 2.599 130 A HA 0.539 4.860 4.320 0.001 0.000 0.290 130 A C -1.264 175.851 177.584 -0.782 0.000 1.101 130 A CA -0.802 50.658 52.037 -0.962 0.000 0.674 130 A CB 2.136 20.954 19.000 -0.304 0.000 1.277 130 A HN 0.143 nan 8.150 nan 0.000 0.419 131 E N 0.809 120.693 120.200 -0.527 0.000 2.176 131 E HA 0.612 4.963 4.350 0.001 0.000 0.267 131 E C -1.388 175.200 176.600 -0.020 0.000 0.893 131 E CA -0.489 55.828 56.400 -0.139 0.000 0.761 131 E CB 1.033 30.837 29.700 0.174 0.000 1.133 131 E HN 0.535 nan 8.360 nan 0.000 0.409 132 I N 3.957 124.408 120.570 -0.198 0.000 2.396 132 I HA 0.214 4.385 4.170 0.001 0.000 0.292 132 I C -0.763 175.476 176.117 0.203 0.000 0.999 132 I CA -0.678 60.496 61.300 -0.210 0.000 1.310 132 I CB 0.713 38.238 38.000 -0.791 0.000 1.404 132 I HN 0.492 nan 8.210 nan 0.000 0.496 133 W N 4.833 126.095 121.300 -0.064 0.000 2.347 133 W HA 0.265 4.925 4.660 0.001 0.000 0.321 133 W C -0.229 176.303 176.519 0.022 0.000 0.971 133 W CA -1.285 56.102 57.345 0.071 0.000 1.508 133 W CB 0.079 29.659 29.460 0.199 0.000 1.299 133 W HN 0.301 nan 8.180 nan 0.000 0.399 134 D N 2.532 123.064 120.400 0.221 0.000 2.352 134 D HA 0.295 4.935 4.640 0.001 0.000 0.245 134 D C -0.632 175.654 176.300 -0.023 0.000 1.224 134 D CA 0.134 54.174 54.000 0.067 0.000 0.879 134 D CB 0.893 41.762 40.800 0.115 0.000 1.057 134 D HN -0.002 nan 8.370 nan 0.000 0.491 135 V N 4.150 123.919 119.914 -0.242 0.000 2.483 135 V HA 0.475 4.596 4.120 0.001 0.000 0.295 135 V C 0.111 175.925 176.094 -0.467 0.000 1.035 135 V CA -0.839 61.227 62.300 -0.389 0.000 0.896 135 V CB 1.897 33.294 31.823 -0.711 0.000 0.986 135 V HN 0.313 nan 8.190 nan 0.000 0.447 136 V N 6.065 125.837 119.914 -0.237 0.000 2.531 136 V HA 0.545 4.666 4.120 0.001 0.000 0.301 136 V C -0.472 175.584 176.094 -0.062 0.000 1.034 136 V CA -0.359 61.854 62.300 -0.145 0.000 0.865 136 V CB 1.932 33.725 31.823 -0.051 0.000 0.995 136 V HN 0.698 nan 8.190 nan 0.000 0.424 137 I N 4.665 125.222 120.570 -0.022 0.000 2.436 137 I HA 0.549 4.719 4.170 0.001 0.000 0.289 137 I C -0.372 175.803 176.117 0.098 0.000 1.010 137 I CA -0.576 60.766 61.300 0.070 0.000 1.098 137 I CB 1.895 39.960 38.000 0.108 0.000 1.266 137 I HN 0.514 nan 8.210 nan 0.000 0.434 138 K N 4.829 125.331 120.400 0.169 0.000 2.397 138 K HA 0.349 4.669 4.320 0.001 0.000 0.253 138 K C -0.816 175.883 176.600 0.165 0.000 0.932 138 K CA -0.727 55.657 56.287 0.163 0.000 0.795 138 K CB 1.584 34.203 32.500 0.198 0.000 1.159 138 K HN 0.468 nan 8.250 nan 0.000 0.424 139 N N 2.468 121.240 118.700 0.119 0.000 2.439 139 N HA 0.023 4.763 4.740 0.001 0.000 0.243 139 N C 0.047 175.601 175.510 0.074 0.000 1.088 139 N CA -0.099 53.015 53.050 0.106 0.000 0.940 139 N CB 1.089 39.632 38.487 0.092 0.000 1.180 139 N HN 0.665 nan 8.380 nan 0.000 0.505 140 T N -0.614 113.982 114.554 0.070 0.000 3.122 140 T HA 0.117 4.467 4.350 0.001 0.000 0.250 140 T C 0.842 175.551 174.700 0.014 0.000 1.067 140 T CA -0.337 61.783 62.100 0.033 0.000 0.966 140 T CB -0.390 68.494 68.868 0.027 0.000 1.002 140 T HN 0.370 nan 8.240 nan 0.000 0.542 141 S N 1.780 117.491 115.700 0.018 0.000 2.686 141 S HA 0.339 4.810 4.470 0.001 0.000 0.270 141 S C 0.507 175.111 174.600 0.007 0.000 1.194 141 S CA -0.236 57.965 58.200 0.002 0.000 0.990 141 S CB 1.022 64.220 63.200 -0.003 0.000 1.029 141 S HN 0.352 nan 8.310 nan 0.000 0.560 142 D N -1.083 119.318 120.400 0.001 0.000 2.325 142 D HA 0.109 4.749 4.640 0.001 0.000 0.225 142 D C 0.494 176.800 176.300 0.010 0.000 1.096 142 D CA -0.143 53.860 54.000 0.004 0.000 0.844 142 D CB -0.352 40.447 40.800 -0.001 0.000 0.925 142 D HN 0.750 nan 8.370 nan 0.000 0.513 143 Q N -1.079 118.730 119.800 0.015 0.000 2.484 143 Q HA 0.531 4.871 4.340 0.001 0.000 0.285 143 Q C -0.993 175.027 176.000 0.034 0.000 1.097 143 Q CA -1.267 54.548 55.803 0.021 0.000 0.802 143 Q CB 1.618 30.367 28.738 0.018 0.000 1.444 143 Q HN -0.138 nan 8.270 nan 0.000 0.429 144 V N 2.142 122.078 119.914 0.037 0.000 2.585 144 V HA 0.209 4.329 4.120 0.001 0.000 0.296 144 V C 0.026 176.157 176.094 0.062 0.000 1.035 144 V CA 0.029 62.359 62.300 0.049 0.000 1.084 144 V CB 0.278 32.127 31.823 0.044 0.000 0.953 144 V HN 0.613 nan 8.190 nan 0.000 0.483 145 R N 2.691 123.240 120.500 0.082 0.000 2.740 145 R HA 0.585 4.925 4.340 0.001 0.000 0.282 145 R C -0.633 175.742 176.300 0.125 0.000 0.969 145 R CA -0.595 55.569 56.100 0.107 0.000 0.918 145 R CB 2.024 32.400 30.300 0.128 0.000 1.175 145 R HN 0.646 nan 8.270 nan 0.000 0.464 146 T N 3.469 118.104 114.554 0.135 0.000 2.842 146 T HA 0.489 4.839 4.350 0.001 0.000 0.308 146 T C -0.016 174.789 174.700 0.176 0.000 1.041 146 T CA -0.493 61.687 62.100 0.134 0.000 0.964 146 T CB 0.547 69.472 68.868 0.095 0.000 0.972 146 T HN 0.195 nan 8.240 nan 0.000 0.460 147 I N 2.482 123.179 120.570 0.211 0.000 2.433 147 I HA 0.458 4.628 4.170 0.001 0.000 0.292 147 I C 0.401 176.647 176.117 0.216 0.000 1.001 147 I CA -0.677 60.772 61.300 0.249 0.000 1.119 147 I CB 1.842 40.026 38.000 0.307 0.000 1.289 147 I HN 0.457 nan 8.210 nan 0.000 0.438 148 S N 3.883 119.693 115.700 0.183 0.000 2.549 148 S HA 0.830 5.300 4.470 0.001 0.000 0.297 148 S C -0.101 174.599 174.600 0.168 0.000 1.115 148 S CA -0.549 57.706 58.200 0.090 0.000 1.059 148 S CB 1.972 65.274 63.200 0.171 0.000 1.046 148 S HN 0.740 nan 8.310 nan 0.000 0.506 149 A N 2.473 125.328 122.820 0.058 0.000 2.355 149 A HA 0.866 5.187 4.320 0.001 0.000 0.317 149 A C -1.310 176.405 177.584 0.218 0.000 1.094 149 A CA -0.553 51.678 52.037 0.323 0.000 0.764 149 A CB 0.474 19.808 19.000 0.557 0.000 1.230 149 A HN 0.690 nan 8.150 nan 0.000 0.448 150 F N 1.298 121.553 119.950 0.508 0.000 2.547 150 F HA 0.529 5.056 4.527 0.001 0.000 0.316 150 F C 0.810 176.881 175.800 0.452 0.000 1.121 150 F CA -0.392 57.903 58.000 0.491 0.000 0.911 150 F CB 2.593 41.849 39.000 0.426 0.000 1.179 150 F HN 0.648 nan 8.300 nan 0.000 0.443 151 S N 2.234 118.105 115.700 0.285 0.000 2.690 151 S HA 0.827 5.297 4.470 0.001 0.000 0.291 151 S C -1.226 173.436 174.600 0.102 0.000 1.138 151 S CA -0.547 57.595 58.200 -0.096 0.000 1.013 151 S CB 2.205 64.691 63.200 -1.191 0.000 1.053 151 S HN 0.564 nan 8.310 nan 0.000 0.539 152 F N 0.667 120.620 119.950 0.005 0.000 2.622 152 F HA 0.567 5.094 4.527 0.001 0.000 0.318 152 F C -1.507 174.244 175.800 -0.083 0.000 1.135 152 F CA -0.547 57.379 58.000 -0.123 0.000 1.015 152 F CB 1.587 40.682 39.000 0.159 0.000 1.275 152 F HN 0.825 nan 8.300 nan 0.000 0.457 153 V N 2.068 121.221 119.914 -1.269 0.000 3.048 153 V HA 0.619 4.740 4.120 0.001 0.000 0.303 153 V C -1.470 173.716 176.094 -1.514 0.000 1.214 153 V CA -0.851 60.771 62.300 -1.129 0.000 0.984 153 V CB 1.684 33.000 31.823 -0.845 0.000 1.054 153 V HN 0.910 nan 8.190 nan 0.000 0.430 154 E N 2.744 122.323 120.200 -1.035 0.000 2.113 154 E HA 0.538 4.888 4.350 0.001 0.000 0.273 154 E C -1.345 174.921 176.600 -0.556 0.000 0.924 154 E CA -0.744 55.242 56.400 -0.689 0.000 0.764 154 E CB 1.013 30.545 29.700 -0.279 0.000 1.104 154 E HN 0.612 nan 8.360 nan 0.000 0.406 155 F N 2.449 122.118 119.950 -0.468 0.000 2.529 155 F HA 0.067 4.595 4.527 0.001 0.000 0.365 155 F C 1.178 176.672 175.800 -0.510 0.000 1.102 155 F CA 0.114 57.757 58.000 -0.596 0.000 1.271 155 F CB 1.216 39.458 39.000 -1.264 0.000 1.120 155 F HN 0.291 nan 8.300 nan 0.000 0.579 156 S N 2.166 117.831 115.700 -0.058 0.000 2.617 156 S HA 0.310 4.781 4.470 0.001 0.000 0.269 156 S C 0.557 175.210 174.600 0.087 0.000 1.292 156 S CA -0.598 57.574 58.200 -0.046 0.000 1.010 156 S CB 0.316 63.581 63.200 0.108 0.000 0.944 156 S HN 0.389 nan 8.310 nan 0.000 0.536 157 F N 2.553 122.667 119.950 0.273 0.000 2.769 157 F HA 0.156 4.683 4.527 0.001 0.000 0.304 157 F C 2.044 177.969 175.800 0.208 0.000 1.158 157 F CA 0.549 58.693 58.000 0.239 0.000 1.398 157 F CB -1.192 37.906 39.000 0.162 0.000 1.094 157 F HN 0.887 nan 8.300 nan 0.000 0.553 158 S N -1.702 114.249 115.700 0.419 0.000 1.537 158 S HA -0.310 4.161 4.470 0.001 0.000 0.241 158 S C 0.274 175.158 174.600 0.473 0.000 0.763 158 S CA 0.850 59.317 58.200 0.445 0.000 1.304 158 S CB -2.048 61.395 63.200 0.405 0.000 1.584 158 S HN 0.525 nan 8.310 nan 0.000 0.514 159 H N 1.833 121.054 119.070 0.251 0.000 2.562 159 H HA 0.502 5.058 4.556 0.001 0.000 0.314 159 H C 1.580 176.970 175.328 0.104 0.000 1.079 159 H CA -0.014 56.147 56.048 0.188 0.000 1.349 159 H CB 0.651 30.554 29.762 0.236 0.000 1.432 159 H HN 0.277 nan 8.280 nan 0.000 0.479 160 I N 1.688 122.307 120.570 0.082 0.000 2.194 160 I HA -0.346 3.825 4.170 0.001 0.000 0.246 160 I C 2.019 178.164 176.117 0.047 0.000 1.093 160 I CA 1.146 62.451 61.300 0.009 0.000 1.355 160 I CB -0.165 37.766 38.000 -0.116 0.000 1.046 160 I HN 0.673 nan 8.210 nan 0.000 0.413 161 Q N 0.190 120.021 119.800 0.051 0.000 2.170 161 Q HA -0.141 4.199 4.340 0.001 0.000 0.203 161 Q C 2.335 178.368 176.000 0.055 0.000 0.976 161 Q CA 1.437 57.268 55.803 0.046 0.000 0.858 161 Q CB -0.557 28.215 28.738 0.058 0.000 0.907 161 Q HN 0.446 nan 8.270 nan 0.000 0.433 162 S N 1.129 116.911 115.700 0.138 0.000 2.453 162 S HA -0.072 4.399 4.470 0.001 0.000 0.231 162 S C 1.100 175.829 174.600 0.215 0.000 1.005 162 S CA 0.765 59.033 58.200 0.114 0.000 0.949 162 S CB 0.060 63.366 63.200 0.177 0.000 0.774 162 S HN 0.308 nan 8.310 nan 0.000 0.510 163 D N 1.434 121.994 120.400 0.267 0.000 2.213 163 D HA 0.081 4.721 4.640 0.001 0.000 0.205 163 D C 1.478 177.962 176.300 0.307 0.000 0.961 163 D CA 0.738 54.948 54.000 0.351 0.000 0.853 163 D CB -0.320 40.587 40.800 0.178 0.000 0.967 163 D HN 0.413 nan 8.370 nan 0.000 0.496 164 N N -0.341 118.434 118.700 0.125 0.000 2.395 164 N HA -0.009 4.731 4.740 0.001 0.000 0.175 164 N C 0.729 176.256 175.510 0.029 0.000 1.029 164 N CA 0.348 53.455 53.050 0.096 0.000 0.897 164 N CB 0.482 38.986 38.487 0.029 0.000 0.991 164 N HN 0.288 nan 8.380 nan 0.000 0.441 165 Q N -1.496 118.158 119.800 -0.243 0.000 2.832 165 Q HA 0.251 4.591 4.340 0.001 0.000 0.331 165 Q C -1.115 174.553 176.000 -0.553 0.000 0.833 165 Q CA -0.844 54.731 55.803 -0.379 0.000 0.794 165 Q CB 0.632 29.304 28.738 -0.109 0.000 1.387 165 Q HN -0.106 nan 8.270 nan 0.000 0.508 166 N N -0.433 118.088 118.700 -0.298 0.000 2.735 166 N HA -0.199 4.542 4.740 0.001 0.000 0.248 166 N C 0.017 175.402 175.510 -0.208 0.000 1.083 166 N CA 1.163 54.108 53.050 -0.175 0.000 0.703 166 N CB -1.143 37.283 38.487 -0.102 0.000 1.005 166 N HN 0.720 nan 8.380 nan 0.000 0.550 167 H N -0.471 118.596 119.070 -0.005 0.000 2.521 167 H HA -0.100 4.456 4.556 0.001 0.000 0.286 167 H C 1.825 177.122 175.328 -0.052 0.000 1.034 167 H CA 1.590 57.598 56.048 -0.067 0.000 1.278 167 H CB 0.151 29.904 29.762 -0.016 0.000 1.386 167 H HN 0.756 nan 8.280 nan 0.000 0.567 168 Q N -0.193 119.682 119.800 0.126 0.000 2.291 168 Q HA -0.113 4.227 4.340 0.001 0.000 0.206 168 Q C 2.110 178.249 176.000 0.231 0.000 0.976 168 Q CA 1.358 57.282 55.803 0.200 0.000 0.875 168 Q CB -0.057 28.757 28.738 0.126 0.000 0.927 168 Q HN 0.271 nan 8.270 nan 0.000 0.450 169 M N 0.466 120.121 119.600 0.090 0.000 2.906 169 M HA 0.095 4.576 4.480 0.001 0.000 0.252 169 M C 1.867 178.146 176.300 -0.036 0.000 1.359 169 M CA 1.760 57.114 55.300 0.089 0.000 1.239 169 M CB -0.437 32.178 32.600 0.025 0.000 1.229 169 M HN 0.368 nan 8.290 nan 0.000 0.547 170 S N 1.078 116.636 115.700 -0.238 0.000 2.399 170 S HA -0.104 4.366 4.470 0.001 0.000 0.231 170 S C 1.915 175.891 174.600 -1.040 0.000 1.022 170 S CA 1.095 58.912 58.200 -0.639 0.000 0.983 170 S CB -1.215 61.545 63.200 -0.733 0.000 0.803 170 S HN 0.613 nan 8.310 nan 0.000 0.480 171 L N -0.522 120.201 121.223 -0.833 0.000 2.549 171 L HA 0.014 4.354 4.340 0.001 0.000 0.229 171 L C 0.772 176.876 176.870 -1.277 0.000 1.158 171 L CA 0.864 55.098 54.840 -1.009 0.000 0.842 171 L CB -0.387 41.036 42.059 -1.060 0.000 0.952 171 L HN 0.418 nan 8.230 nan 0.000 0.452 172 Y N -2.930 117.212 120.300 -0.262 0.000 2.719 172 Y HA 0.133 4.683 4.550 0.001 0.000 0.251 172 Y C 1.728 177.482 175.900 -0.244 0.000 1.159 172 Y CA -0.284 57.680 58.100 -0.227 0.000 1.166 172 Y CB -0.122 38.246 38.460 -0.153 0.000 1.219 172 Y HN 0.053 nan 8.280 nan 0.000 0.551 173 S N -0.950 114.576 115.700 -0.290 0.000 2.540 173 S HA 0.738 5.209 4.470 0.001 0.000 0.218 173 S C 0.562 174.904 174.600 -0.430 0.000 0.977 173 S CA 0.205 58.118 58.200 -0.477 0.000 0.918 173 S CB 0.278 63.316 63.200 -0.270 0.000 0.806 173 S HN 0.197 nan 8.310 nan 0.000 0.496 174 A N -0.320 122.343 122.820 -0.262 0.000 2.602 174 A HA 0.913 5.234 4.320 0.001 0.000 0.290 174 A C -0.253 177.067 177.584 -0.440 0.000 1.114 174 A CA -0.448 51.341 52.037 -0.414 0.000 0.683 174 A CB 1.046 19.830 19.000 -0.359 0.000 1.281 174 A HN 0.934 nan 8.150 nan 0.000 0.416 175 G N -0.851 107.491 108.800 -0.764 0.000 2.677 175 G HA2 0.728 4.689 3.960 0.001 0.000 0.291 175 G HA3 0.728 4.689 3.960 0.001 0.000 0.291 175 G C -0.808 173.792 174.900 -0.498 0.000 1.435 175 G CA 0.256 45.038 45.100 -0.531 0.000 0.826 175 G HN 1.500 nan 8.290 nan 0.000 0.491 176 T N -2.119 112.364 114.554 -0.118 0.000 2.908 176 T HA 0.888 5.239 4.350 0.001 0.000 0.290 176 T C -0.191 174.557 174.700 0.080 0.000 1.034 176 T CA -0.265 61.858 62.100 0.038 0.000 1.010 176 T CB 2.058 71.087 68.868 0.268 0.000 1.068 176 T HN 1.883 nan 8.240 nan 0.000 0.481 177 A N 1.289 124.157 122.820 0.079 0.000 2.556 177 A HA 0.767 5.088 4.320 0.001 0.000 0.294 177 A C -2.002 175.629 177.584 0.080 0.000 1.091 177 A CA -0.968 51.118 52.037 0.083 0.000 0.704 177 A CB 1.578 20.601 19.000 0.039 0.000 1.300 177 A HN 0.969 nan 8.150 nan 0.000 0.406 178 Y N 0.865 121.099 120.300 -0.110 0.000 2.409 178 Y HA 0.747 5.297 4.550 0.001 0.000 0.343 178 Y C -0.063 175.721 175.900 -0.195 0.000 0.973 178 Y CA -0.543 57.390 58.100 -0.278 0.000 1.064 178 Y CB 1.533 39.535 38.460 -0.763 0.000 1.207 178 Y HN 0.771 nan 8.280 nan 0.000 0.452 179 R N 5.058 124.924 120.500 -1.056 0.000 2.795 179 R HA 0.395 4.736 4.340 0.001 0.000 0.275 179 R C -2.906 172.682 176.300 -1.187 0.000 0.981 179 R CA -2.391 53.241 56.100 -0.779 0.000 0.917 179 R CB 1.903 31.961 30.300 -0.403 0.000 1.202 179 R HN 0.480 nan 8.270 nan 0.000 0.469 180 P HA -0.122 nan 4.420 nan 0.000 0.255 180 P C 0.389 177.521 177.300 -0.280 0.000 1.151 180 P CA 1.503 64.409 63.100 -0.322 0.000 0.767 180 P CB 0.107 31.735 31.700 -0.120 0.000 0.736 181 G N 2.187 110.928 108.800 -0.098 0.000 2.225 181 G HA2 -0.213 3.747 3.960 0.001 0.000 0.267 181 G HA3 -0.213 3.747 3.960 0.001 0.000 0.267 181 G C -0.359 174.471 174.900 -0.117 0.000 1.024 181 G CA 0.128 45.207 45.100 -0.035 0.000 0.784 181 G HN 0.616 nan 8.290 nan 0.000 0.507 182 L N -0.218 120.857 121.223 -0.247 0.000 2.580 182 L HA 0.677 5.017 4.340 0.001 0.000 0.266 182 L C -0.550 176.240 176.870 -0.133 0.000 0.955 182 L CA -0.851 53.882 54.840 -0.178 0.000 0.886 182 L CB 1.331 43.237 42.059 -0.253 0.000 1.263 182 L HN 0.104 nan 8.230 nan 0.000 0.406 183 I N 3.861 124.491 120.570 0.100 0.000 2.304 183 I HA 0.344 4.515 4.170 0.001 0.000 0.291 183 I C -0.056 176.159 176.117 0.164 0.000 1.018 183 I CA -0.312 61.098 61.300 0.183 0.000 1.260 183 I CB 1.537 39.713 38.000 0.293 0.000 1.390 183 I HN 0.665 nan 8.210 nan 0.000 0.475 184 E N 6.680 126.935 120.200 0.092 0.000 2.134 184 E HA 0.176 4.527 4.350 0.001 0.000 0.278 184 E C -1.557 175.055 176.600 0.020 0.000 0.959 184 E CA -0.627 55.830 56.400 0.094 0.000 0.783 184 E CB 1.028 30.775 29.700 0.078 0.000 1.095 184 E HN 0.447 nan 8.360 nan 0.000 0.399 185 Y N 4.283 124.410 120.300 -0.288 0.000 2.353 185 Y HA 0.296 4.846 4.550 0.001 0.000 0.340 185 Y C -1.057 174.490 175.900 -0.588 0.000 0.972 185 Y CA -1.041 56.705 58.100 -0.590 0.000 1.157 185 Y CB 1.086 38.791 38.460 -1.259 0.000 1.157 185 Y HN 0.474 nan 8.280 nan 0.000 0.495 186 D N 6.110 125.861 120.400 -1.082 0.000 2.303 186 D HA 0.244 4.885 4.640 0.001 0.000 0.236 186 D C -1.133 174.402 176.300 -1.275 0.000 1.068 186 D CA -0.258 52.954 54.000 -1.314 0.000 0.830 186 D CB 0.868 41.129 40.800 -0.898 0.000 1.109 186 D HN 0.684 nan 8.370 nan 0.000 0.496 187 L N 5.511 126.037 121.223 -1.162 0.000 2.334 187 L HA 0.123 4.463 4.340 0.001 0.000 0.286 187 L C 0.864 177.406 176.870 -0.547 0.000 1.108 187 L CA -0.604 53.780 54.840 -0.759 0.000 0.875 187 L CB 0.359 42.077 42.059 -0.568 0.000 1.246 187 L HN 0.548 nan 8.230 nan 0.000 0.439 188 Y N 3.007 122.905 120.300 -0.671 0.000 2.241 188 Y HA -0.284 4.267 4.550 0.001 0.000 0.286 188 Y C 1.537 177.225 175.900 -0.353 0.000 1.166 188 Y CA 1.727 59.493 58.100 -0.556 0.000 1.203 188 Y CB -0.051 38.030 38.460 -0.631 0.000 0.977 188 Y HN 0.497 nan 8.280 nan 0.000 0.529 189 Y N -1.381 118.823 120.300 -0.160 0.000 2.490 189 Y HA 0.094 4.645 4.550 0.001 0.000 0.281 189 Y C 0.780 176.581 175.900 -0.166 0.000 1.174 189 Y CA -0.144 57.848 58.100 -0.180 0.000 1.295 189 Y CB -0.471 37.917 38.460 -0.120 0.000 1.062 189 Y HN 0.003 nan 8.280 nan 0.000 0.522 190 N N 0.631 119.292 118.700 -0.065 0.000 2.546 190 N HA 0.025 4.765 4.740 0.001 0.000 0.238 190 N C 0.813 176.290 175.510 -0.055 0.000 0.984 190 N CA 0.255 53.276 53.050 -0.047 0.000 0.935 190 N CB 1.009 39.456 38.487 -0.066 0.000 1.122 190 N HN 0.234 nan 8.380 nan 0.000 0.510 191 T N -0.588 113.958 114.554 -0.014 0.000 3.085 191 T HA -0.066 4.285 4.350 0.001 0.000 0.263 191 T C 0.558 175.311 174.700 0.088 0.000 1.127 191 T CA 0.023 62.133 62.100 0.017 0.000 1.103 191 T CB -0.130 68.734 68.868 -0.007 0.000 0.921 191 T HN 0.368 nan 8.240 nan 0.000 0.510 192 D N 1.938 122.398 120.400 0.100 0.000 2.434 192 D HA 0.033 4.673 4.640 0.001 0.000 0.252 192 D C 0.723 177.141 176.300 0.198 0.000 1.185 192 D CA -0.177 53.906 54.000 0.139 0.000 0.886 192 D CB 0.455 41.351 40.800 0.160 0.000 1.148 192 D HN 0.045 nan 8.370 nan 0.000 0.483 193 D N 3.145 123.633 120.400 0.146 0.000 2.309 193 D HA -0.149 4.492 4.640 0.001 0.000 0.212 193 D C 1.167 177.537 176.300 0.117 0.000 0.968 193 D CA 0.609 54.640 54.000 0.052 0.000 0.882 193 D CB 0.064 40.820 40.800 -0.074 0.000 0.918 193 D HN 0.472 nan 8.370 nan 0.000 0.503 194 F N 1.495 121.480 119.950 0.058 0.000 2.202 194 F HA 0.090 4.617 4.527 0.001 0.000 0.279 194 F C 2.169 178.032 175.800 0.105 0.000 1.077 194 F CA 0.790 58.824 58.000 0.056 0.000 1.193 194 F CB -0.180 38.834 39.000 0.023 0.000 1.090 194 F HN -0.274 nan 8.300 nan 0.000 0.516 195 E N -0.185 119.949 120.200 -0.111 0.000 2.268 195 E HA -0.052 4.299 4.350 0.001 0.000 0.195 195 E C 1.768 178.321 176.600 -0.078 0.000 0.995 195 E CA 0.770 57.065 56.400 -0.175 0.000 0.836 195 E CB -0.444 29.332 29.700 0.127 0.000 0.763 195 E HN 0.534 nan 8.360 nan 0.000 0.491 196 G N -0.105 108.693 108.800 -0.003 0.000 3.314 196 G HA2 0.132 4.093 3.960 0.001 0.000 0.238 196 G HA3 0.132 4.093 3.960 0.001 0.000 0.238 196 G C -0.301 174.382 174.900 -0.362 0.000 1.184 196 G CA -0.153 44.862 45.100 -0.142 0.000 0.806 196 G HN -0.042 nan 8.290 nan 0.000 0.536 197 F N -0.563 119.182 119.950 -0.341 0.000 2.574 197 F HA 0.583 5.111 4.527 0.001 0.000 0.313 197 F C -0.928 174.803 175.800 -0.116 0.000 1.130 197 F CA -1.278 56.547 58.000 -0.291 0.000 0.936 197 F CB 1.830 40.751 39.000 -0.133 0.000 1.219 197 F HN -0.090 nan 8.300 nan 0.000 0.445 198 Y N 1.717 122.052 120.300 0.059 0.000 2.659 198 Y HA 0.726 5.276 4.550 0.001 0.000 0.333 198 Y C -0.584 175.321 175.900 0.009 0.000 1.064 198 Y CA -2.112 55.974 58.100 -0.023 0.000 1.141 198 Y CB 1.500 39.913 38.460 -0.079 0.000 1.316 198 Y HN 0.529 nan 8.280 nan 0.000 0.509 199 Y N -0.943 119.475 120.300 0.197 0.000 2.677 199 Y HA 0.684 5.234 4.550 0.001 0.000 0.334 199 Y C -2.548 173.489 175.900 0.229 0.000 1.196 199 Y CA -1.621 56.567 58.100 0.147 0.000 1.059 199 Y CB 1.237 39.737 38.460 0.067 0.000 1.315 199 Y HN 0.526 nan 8.280 nan 0.000 0.455 200 L N 2.946 124.416 121.223 0.412 0.000 2.441 200 L HA 0.926 5.266 4.340 0.001 0.000 0.270 200 L C -1.259 175.709 176.870 0.164 0.000 0.973 200 L CA -0.361 54.557 54.840 0.131 0.000 0.842 200 L CB 1.022 43.053 42.059 -0.047 0.000 1.239 200 L HN 1.175 nan 8.230 nan 0.000 0.406 201 A N 3.497 126.397 122.820 0.133 0.000 2.387 201 A HA 0.938 5.259 4.320 0.001 0.000 0.303 201 A C -0.647 176.912 177.584 -0.042 0.000 1.145 201 A CA -0.256 51.806 52.037 0.041 0.000 0.801 201 A CB 1.840 20.847 19.000 0.011 0.000 1.342 201 A HN 0.827 nan 8.150 nan 0.000 0.440 202 S N -1.233 114.359 115.700 -0.179 0.000 2.541 202 S HA 0.504 4.974 4.470 0.001 0.000 0.280 202 S C 0.532 174.873 174.600 -0.432 0.000 1.112 202 S CA 0.216 58.116 58.200 -0.499 0.000 0.925 202 S CB 1.177 63.677 63.200 -1.166 0.000 1.067 202 S HN 1.412 nan 8.310 nan 0.000 0.479 203 T N -0.373 113.974 114.554 -0.346 0.000 2.995 203 T HA 0.109 4.459 4.350 0.001 0.000 0.269 203 T C 0.600 175.267 174.700 -0.055 0.000 1.091 203 T CA 0.357 62.394 62.100 -0.106 0.000 1.128 203 T CB -0.917 67.978 68.868 0.044 0.000 0.891 203 T HN 0.707 nan 8.240 nan 0.000 0.492 204 F N 1.313 121.260 119.950 -0.005 0.000 2.370 204 F HA 0.684 5.212 4.527 0.001 0.000 0.319 204 F C -0.425 175.351 175.800 -0.040 0.000 1.129 204 F CA -2.561 55.419 58.000 -0.033 0.000 1.109 204 F CB 0.164 39.099 39.000 -0.108 0.000 1.262 204 F HN -0.213 nan 8.300 nan 0.000 0.534 205 D N 2.835 123.431 120.400 0.327 0.000 2.347 205 D HA 0.281 4.921 4.640 0.001 0.000 0.235 205 D C -2.414 174.055 176.300 0.282 0.000 1.149 205 D CA -1.200 52.934 54.000 0.224 0.000 0.850 205 D CB 0.957 41.821 40.800 0.107 0.000 1.061 205 D HN 0.280 nan 8.370 nan 0.000 0.487 206 P HA 0.008 nan 4.420 nan 0.000 0.267 206 P C 0.377 177.686 177.300 0.015 0.000 1.201 206 P CA -0.053 63.208 63.100 0.268 0.000 0.775 206 P CB 1.018 32.961 31.700 0.404 0.000 0.854 207 D N -0.850 119.430 120.400 -0.200 0.000 2.338 207 D HA 0.035 4.675 4.640 0.001 0.000 0.208 207 D C 0.571 176.846 176.300 -0.042 0.000 0.997 207 D CA 0.987 54.864 54.000 -0.205 0.000 0.880 207 D CB 0.264 40.794 40.800 -0.450 0.000 0.980 207 D HN 0.465 nan 8.370 nan 0.000 0.509 208 S N -0.855 114.870 115.700 0.042 0.000 2.615 208 S HA 0.605 5.075 4.470 0.001 0.000 0.269 208 S C -1.355 173.340 174.600 0.159 0.000 1.161 208 S CA -1.017 57.228 58.200 0.075 0.000 0.817 208 S CB 1.755 65.037 63.200 0.137 0.000 1.131 208 S HN 0.170 nan 8.310 nan 0.000 0.467 209 Y N -1.184 119.096 120.300 -0.032 0.000 2.638 209 Y HA 0.883 5.434 4.550 0.001 0.000 0.335 209 Y C -2.030 173.890 175.900 0.033 0.000 1.155 209 Y CA -0.932 57.154 58.100 -0.024 0.000 1.046 209 Y CB 1.179 39.465 38.460 -0.290 0.000 1.303 209 Y HN 0.640 nan 8.280 nan 0.000 0.460 210 D N 0.070 120.656 120.400 0.309 0.000 2.970 210 D HA 0.400 5.041 4.640 0.001 0.000 0.230 210 D C -0.082 176.395 176.300 0.296 0.000 1.276 210 D CA -0.216 53.935 54.000 0.252 0.000 0.910 210 D CB 2.146 43.117 40.800 0.285 0.000 1.590 210 D HN 1.001 nan 8.370 nan 0.000 0.551 211 G N 1.290 110.291 108.800 0.334 0.000 2.939 211 G HA2 -0.031 3.930 3.960 0.001 0.000 0.216 211 G HA3 -0.031 3.930 3.960 0.001 0.000 0.216 211 G C 0.423 175.515 174.900 0.321 0.000 1.125 211 G CA 0.033 45.342 45.100 0.349 0.000 0.766 211 G HN 0.180 nan 8.290 nan 0.000 0.541 212 Q N 0.680 120.624 119.800 0.239 0.000 2.340 212 Q HA 0.298 4.639 4.340 0.001 0.000 0.259 212 Q C 0.853 176.950 176.000 0.162 0.000 0.964 212 Q CA -0.480 55.418 55.803 0.159 0.000 0.900 212 Q CB 2.172 30.978 28.738 0.112 0.000 1.228 212 Q HN 0.329 nan 8.270 nan 0.000 0.449 213 R N 2.764 123.350 120.500 0.143 0.000 2.103 213 R HA -0.181 4.160 4.340 0.001 0.000 0.242 213 R C 0.315 176.697 176.300 0.137 0.000 1.142 213 R CA 1.837 58.061 56.100 0.206 0.000 0.960 213 R CB 0.367 30.765 30.300 0.163 0.000 0.858 213 R HN 0.570 nan 8.270 nan 0.000 0.439 214 D N -0.225 120.200 120.400 0.041 0.000 2.264 214 D HA -0.123 4.517 4.640 0.001 0.000 0.208 214 D C 1.876 178.152 176.300 -0.039 0.000 0.966 214 D CA 0.725 54.706 54.000 -0.033 0.000 0.864 214 D CB -0.020 40.726 40.800 -0.091 0.000 0.933 214 D HN 0.171 nan 8.370 nan 0.000 0.499 215 R N -0.295 120.213 120.500 0.014 0.000 2.112 215 R HA 0.027 4.367 4.340 0.001 0.000 0.216 215 R C 2.093 178.391 176.300 -0.003 0.000 1.080 215 R CA 0.091 56.188 56.100 -0.005 0.000 0.996 215 R CB -0.874 29.439 30.300 0.021 0.000 0.902 215 R HN 0.238 nan 8.270 nan 0.000 0.449 216 F N 1.508 121.421 119.950 -0.063 0.000 2.084 216 F HA -0.076 4.451 4.527 0.001 0.000 0.296 216 F C 2.017 177.679 175.800 -0.230 0.000 1.111 216 F CA 1.369 59.306 58.000 -0.106 0.000 1.224 216 F CB -0.247 38.763 39.000 0.015 0.000 0.991 216 F HN -0.146 nan 8.300 nan 0.000 0.471 217 L N -0.205 120.914 121.223 -0.174 0.000 2.072 217 L HA 0.175 4.516 4.340 0.001 0.000 0.205 217 L C 1.290 177.970 176.870 -0.318 0.000 1.079 217 L CA 0.592 55.225 54.840 -0.345 0.000 0.752 217 L CB -1.362 40.584 42.059 -0.188 0.000 0.906 217 L HN 0.404 nan 8.230 nan 0.000 0.436 218 G N 0.282 108.953 108.800 -0.215 0.000 2.730 218 G HA2 -0.205 3.755 3.960 0.001 0.000 0.686 218 G HA3 -0.205 3.755 3.960 0.001 0.000 0.686 218 G C -1.023 173.772 174.900 -0.176 0.000 1.343 218 G CA -0.700 44.285 45.100 -0.192 0.000 0.826 218 G HN 0.020 nan 8.290 nan 0.000 0.582 219 L N 0.776 121.905 121.223 -0.157 0.000 2.455 219 L HA 0.561 4.901 4.340 0.001 0.000 0.272 219 L C 0.937 177.741 176.870 -0.110 0.000 1.174 219 L CA 0.492 55.206 54.840 -0.211 0.000 0.869 219 L CB -0.552 41.421 42.059 -0.144 0.000 1.130 219 L HN 1.182 nan 8.230 nan 0.000 0.474 220 Y N 2.953 123.204 120.300 -0.082 0.000 3.589 220 Y HA -0.286 4.264 4.550 0.001 0.000 0.218 220 Y C 0.515 176.360 175.900 -0.092 0.000 1.234 220 Y CA 0.873 58.927 58.100 -0.075 0.000 1.576 220 Y CB -1.653 36.769 38.460 -0.063 0.000 1.487 220 Y HN 0.608 nan 8.280 nan 0.000 0.616 221 R N -0.108 120.364 120.500 -0.047 0.000 2.836 221 R HA 0.647 4.988 4.340 0.001 0.000 0.269 221 R C -0.583 175.637 176.300 -0.133 0.000 1.010 221 R CA -0.514 55.528 56.100 -0.098 0.000 0.930 221 R CB 1.914 32.115 30.300 -0.164 0.000 1.218 221 R HN 0.136 nan 8.270 nan 0.000 0.473 222 D N -0.924 119.379 120.400 -0.161 0.000 2.958 222 D HA 0.124 4.764 4.640 0.001 0.000 0.306 222 D C 0.110 176.268 176.300 -0.236 0.000 1.226 222 D CA -0.691 53.206 54.000 -0.171 0.000 1.032 222 D CB 0.001 40.723 40.800 -0.129 0.000 1.400 222 D HN 0.353 nan 8.370 nan 0.000 0.587 223 E N -0.480 119.592 120.200 -0.214 0.000 2.267 223 E HA -0.006 4.345 4.350 0.001 0.000 0.197 223 E C 1.736 178.220 176.600 -0.193 0.000 0.998 223 E CA 1.568 57.844 56.400 -0.207 0.000 0.830 223 E CB -0.412 29.243 29.700 -0.075 0.000 0.751 223 E HN 0.480 nan 8.360 nan 0.000 0.491 224 A N 1.598 124.267 122.820 -0.252 0.000 2.014 224 A HA -0.077 4.244 4.320 0.001 0.000 0.218 224 A C 0.860 178.391 177.584 -0.089 0.000 1.163 224 A CA 1.108 53.011 52.037 -0.223 0.000 0.652 224 A CB -0.100 18.719 19.000 -0.303 0.000 0.808 224 A HN 0.330 nan 8.150 nan 0.000 0.449 225 N N -1.540 117.061 118.700 -0.165 0.000 2.673 225 N HA 0.248 4.989 4.740 0.001 0.000 0.265 225 N C -3.592 171.670 175.510 -0.414 0.000 1.709 225 N CA -1.581 51.373 53.050 -0.160 0.000 0.792 225 N CB -0.213 38.250 38.487 -0.040 0.000 1.286 225 N HN -0.103 nan 8.380 nan 0.000 0.506 226 P HA 0.006 nan 4.420 nan 0.000 0.264 226 P C 1.330 178.098 177.300 -0.888 0.000 1.193 226 P CA -0.495 62.041 63.100 -0.941 0.000 0.763 226 P CB 0.981 31.765 31.700 -1.527 0.000 0.810 227 L N 5.203 126.016 121.223 -0.683 0.000 2.042 227 L HA -0.223 4.118 4.340 0.001 0.000 0.210 227 L C 2.118 178.616 176.870 -0.620 0.000 1.076 227 L CA 2.451 56.979 54.840 -0.521 0.000 0.749 227 L CB -1.464 40.379 42.059 -0.361 0.000 0.893 227 L HN 0.421 nan 8.230 nan 0.000 0.432 228 A N -1.181 121.156 122.820 -0.805 0.000 1.908 228 A HA -0.172 4.148 4.320 0.001 0.000 0.218 228 A C 2.254 179.261 177.584 -0.962 0.000 1.181 228 A CA 2.213 53.812 52.037 -0.730 0.000 0.627 228 A CB -1.139 17.442 19.000 -0.699 0.000 0.818 228 A HN 0.336 nan 8.150 nan 0.000 0.445 229 V N -0.084 118.984 119.914 -1.411 0.000 2.358 229 V HA -0.241 3.879 4.120 0.001 0.000 0.246 229 V C 2.516 177.959 176.094 -1.085 0.000 1.047 229 V CA 2.199 63.513 62.300 -1.643 0.000 1.035 229 V CB -0.726 30.054 31.823 -1.738 0.000 0.658 229 V HN 0.794 nan 8.190 nan 0.000 0.452 230 E N 0.862 120.497 120.200 -0.942 0.000 2.051 230 E HA -0.306 4.044 4.350 0.001 0.000 0.192 230 E C 2.251 178.687 176.600 -0.274 0.000 0.991 230 E CA 1.734 57.832 56.400 -0.503 0.000 0.799 230 E CB -0.107 29.403 29.700 -0.317 0.000 0.748 230 E HN 0.849 nan 8.360 nan 0.000 0.449 231 Q N -0.947 118.671 119.800 -0.304 0.000 2.435 231 Q HA 0.074 4.414 4.340 0.001 0.000 0.207 231 Q C 1.225 177.147 176.000 -0.131 0.000 0.956 231 Q CA 0.790 56.486 55.803 -0.179 0.000 0.917 231 Q CB 0.333 28.968 28.738 -0.172 0.000 0.997 231 Q HN 0.321 nan 8.270 nan 0.000 0.497 232 G N 1.019 109.713 108.800 -0.177 0.000 2.137 232 G HA2 -0.303 3.658 3.960 0.001 0.000 0.237 232 G HA3 -0.303 3.658 3.960 0.001 0.000 0.237 232 G C -0.158 174.743 174.900 0.002 0.000 1.002 232 G CA 0.213 45.311 45.100 -0.003 0.000 0.702 232 G HN 0.438 nan 8.290 nan 0.000 0.515 233 R N -1.355 119.110 120.500 -0.059 0.000 2.644 233 R HA 0.446 4.787 4.340 0.001 0.000 0.257 233 R C -0.089 176.203 176.300 -0.012 0.000 1.082 233 R CA -0.279 55.785 56.100 -0.059 0.000 0.927 233 R CB 0.276 30.564 30.300 -0.020 0.000 1.258 233 R HN 0.255 nan 8.270 nan 0.000 0.459 234 C N 0.794 120.135 119.300 0.070 0.000 2.470 234 C HA 0.298 4.758 4.460 0.001 0.000 0.350 234 C C 1.557 176.510 174.990 -0.062 0.000 1.341 234 C CA -0.391 58.665 59.018 0.065 0.000 2.440 234 C CB 1.466 29.303 27.740 0.161 0.000 2.295 234 C HN 0.860 nan 8.230 nan 0.000 0.645 235 S N 1.209 116.856 115.700 -0.088 0.000 2.577 235 S HA 0.035 4.505 4.470 0.001 0.000 0.219 235 S C 0.350 174.802 174.600 -0.246 0.000 0.962 235 S CA 0.050 58.171 58.200 -0.132 0.000 0.921 235 S CB -0.511 62.639 63.200 -0.084 0.000 0.789 235 S HN 0.787 nan 8.310 nan 0.000 0.497 236 N N 2.447 120.859 118.700 -0.481 0.000 2.727 236 N HA -0.132 4.608 4.740 0.001 0.000 0.249 236 N C -0.234 174.956 175.510 -0.534 0.000 1.048 236 N CA 0.993 53.383 53.050 -1.100 0.000 0.714 236 N CB -1.704 36.263 38.487 -0.868 0.000 0.959 236 N HN 0.666 nan 8.380 nan 0.000 0.544 237 S N -0.800 114.793 115.700 -0.179 0.000 2.584 237 S HA 0.788 5.258 4.470 0.001 0.000 0.273 237 S C 0.305 175.075 174.600 0.284 0.000 1.311 237 S CA -0.032 58.212 58.200 0.073 0.000 1.034 237 S CB 2.683 65.932 63.200 0.081 0.000 0.939 237 S HN 0.718 nan 8.310 nan 0.000 0.513 238 A N 2.399 125.380 122.820 0.268 0.000 2.534 238 A HA 0.628 4.949 4.320 0.001 0.000 0.300 238 A C -0.777 176.937 177.584 0.218 0.000 1.054 238 A CA -0.773 51.443 52.037 0.298 0.000 0.858 238 A CB 0.796 20.005 19.000 0.348 0.000 1.333 238 A HN 1.256 nan 8.150 nan 0.000 0.391 239 Q N -0.070 119.866 119.800 0.227 0.000 2.841 239 Q HA 0.736 5.077 4.340 0.001 0.000 0.309 239 Q C -0.653 175.466 176.000 0.199 0.000 0.868 239 Q CA -0.477 55.431 55.803 0.174 0.000 0.760 239 Q CB 0.882 29.721 28.738 0.170 0.000 1.454 239 Q HN 1.228 nan 8.270 nan 0.000 0.449 240 T N -1.264 113.356 114.554 0.110 0.000 2.909 240 T HA 0.714 5.064 4.350 0.001 0.000 0.286 240 T C 0.108 174.879 174.700 0.119 0.000 1.002 240 T CA 0.283 62.414 62.100 0.053 0.000 1.074 240 T CB 0.634 69.422 68.868 -0.134 0.000 0.984 240 T HN 1.102 nan 8.240 nan 0.000 0.495 241 C N 0.667 120.039 119.300 0.121 0.000 0.168 241 C HA 0.026 4.487 4.460 0.001 0.000 0.017 241 C C 0.135 175.035 174.990 -0.150 0.000 0.171 241 C CA -0.568 58.386 59.018 -0.107 0.000 0.499 241 C CB -2.503 25.052 27.740 -0.309 0.000 3.212 241 C HN 1.358 nan 8.230 nan 0.000 1.118 242 Y N -1.522 118.727 120.300 -0.086 0.000 2.926 242 Y HA -0.217 4.334 4.550 0.001 0.000 0.463 242 Y C 0.622 176.437 175.900 -0.142 0.000 1.225 242 Y CA 0.703 58.724 58.100 -0.131 0.000 2.393 242 Y CB -0.622 37.773 38.460 -0.108 0.000 1.300 242 Y HN 0.870 nan 8.280 nan 0.000 0.633 243 N N 1.539 120.275 118.700 0.061 0.000 2.455 243 N HA 0.273 5.013 4.740 0.001 0.000 0.280 243 N C -1.167 174.236 175.510 -0.178 0.000 1.055 243 N CA -0.376 52.681 53.050 0.013 0.000 0.961 243 N CB 0.794 39.321 38.487 0.067 0.000 1.121 243 N HN 0.378 nan 8.380 nan 0.000 0.476 244 H N -0.437 118.735 119.070 0.170 0.000 2.533 244 H HA 0.575 5.132 4.556 0.001 0.000 0.343 244 H C 0.172 175.546 175.328 0.076 0.000 1.160 244 H CA -0.678 55.493 56.048 0.206 0.000 1.218 244 H CB 1.215 31.201 29.762 0.374 0.000 1.566 244 H HN 0.663 nan 8.280 nan 0.000 0.522 245 C N -0.252 119.165 119.300 0.194 0.000 3.154 245 C HA 0.906 5.367 4.460 0.001 0.000 0.312 245 C C 0.568 175.442 174.990 -0.193 0.000 1.349 245 C CA -0.933 57.947 59.018 -0.231 0.000 1.518 245 C CB 1.037 28.680 27.740 -0.162 0.000 1.934 245 C HN 1.009 nan 8.230 nan 0.000 0.462 246 G N 1.400 109.833 108.800 -0.611 0.000 3.302 246 G HA2 0.563 4.524 3.960 0.001 0.000 0.338 246 G HA3 0.563 4.524 3.960 0.001 0.000 0.338 246 G C -0.649 174.050 174.900 -0.335 0.000 1.405 246 G CA -0.086 44.814 45.100 -0.333 0.000 1.090 246 G HN 0.864 nan 8.290 nan 0.000 0.482 247 S N 1.650 117.248 115.700 -0.170 0.000 2.530 247 S HA 0.590 5.060 4.470 0.001 0.000 0.322 247 S C -0.330 174.341 174.600 0.118 0.000 1.085 247 S CA -0.453 57.650 58.200 -0.162 0.000 1.096 247 S CB 1.250 64.167 63.200 -0.472 0.000 0.988 247 S HN 0.438 nan 8.310 nan 0.000 0.466 248 L N 4.103 125.433 121.223 0.178 0.000 2.362 248 L HA 0.544 4.884 4.340 0.001 0.000 0.275 248 L C -0.151 177.037 176.870 0.530 0.000 0.998 248 L CA -0.651 54.420 54.840 0.387 0.000 0.820 248 L CB 1.667 43.959 42.059 0.388 0.000 1.270 248 L HN 0.692 nan 8.230 nan 0.000 0.415 249 H N 3.580 122.793 119.070 0.238 0.000 2.572 249 H HA 0.601 5.157 4.556 0.001 0.000 0.359 249 H C -1.581 173.481 175.328 -0.443 0.000 1.134 249 H CA -0.902 55.028 56.048 -0.197 0.000 1.187 249 H CB 2.552 32.026 29.762 -0.480 0.000 1.597 249 H HN 0.459 nan 8.280 nan 0.000 0.524 250 K N 2.977 122.566 120.400 -1.352 0.000 2.525 250 K HA 0.163 4.484 4.320 0.001 0.000 0.254 250 K C -1.534 174.130 176.600 -1.560 0.000 0.934 250 K CA -0.627 54.621 56.287 -1.731 0.000 0.802 250 K CB 2.172 33.144 32.500 -2.547 0.000 1.295 250 K HN 0.728 nan 8.250 nan 0.000 0.433 251 Q N 3.553 122.593 119.800 -1.267 0.000 2.241 251 Q HA 0.510 4.851 4.340 0.001 0.000 0.254 251 Q C -1.234 174.236 176.000 -0.883 0.000 0.917 251 Q CA -0.567 54.778 55.803 -0.764 0.000 0.919 251 Q CB 0.671 29.186 28.738 -0.372 0.000 1.237 251 Q HN 0.501 nan 8.270 nan 0.000 0.434 252 F N 0.596 120.458 119.950 -0.146 0.000 2.551 252 F HA 0.402 4.930 4.527 0.001 0.000 0.316 252 F C -0.165 175.626 175.800 -0.016 0.000 1.089 252 F CA -0.706 57.241 58.000 -0.088 0.000 0.915 252 F CB 2.501 41.468 39.000 -0.055 0.000 1.186 252 F HN 0.299 nan 8.300 nan 0.000 0.456 253 T N 4.335 119.000 114.554 0.186 0.000 2.770 253 T HA 0.641 4.991 4.350 0.001 0.000 0.283 253 T C -0.571 174.205 174.700 0.128 0.000 0.988 253 T CA -0.483 61.691 62.100 0.124 0.000 0.957 253 T CB 0.425 69.338 68.868 0.074 0.000 0.930 253 T HN 0.308 nan 8.240 nan 0.000 0.443 254 L N 3.589 124.884 121.223 0.120 0.000 2.333 254 L HA 0.456 4.796 4.340 0.001 0.000 0.280 254 L C 0.309 177.225 176.870 0.076 0.000 1.004 254 L CA -1.196 53.703 54.840 0.099 0.000 0.820 254 L CB 1.533 43.658 42.059 0.110 0.000 1.247 254 L HN 0.364 nan 8.230 nan 0.000 0.416 255 Q N 2.647 122.483 119.800 0.060 0.000 2.368 255 Q HA 0.298 4.638 4.340 0.001 0.000 0.237 255 Q C -2.270 173.757 176.000 0.045 0.000 0.987 255 Q CA -1.935 53.897 55.803 0.047 0.000 0.896 255 Q CB 0.378 29.139 28.738 0.038 0.000 1.241 255 Q HN 0.271 nan 8.270 nan 0.000 0.485 256 P HA -0.039 nan 4.420 nan 0.000 0.262 256 P C 0.548 177.866 177.300 0.029 0.000 1.182 256 P CA 1.360 64.479 63.100 0.032 0.000 0.761 256 P CB 0.222 31.935 31.700 0.023 0.000 0.795 257 G N 1.790 110.609 108.800 0.031 0.000 2.212 257 G HA2 -0.299 3.661 3.960 0.001 0.000 0.266 257 G HA3 -0.299 3.661 3.960 0.001 0.000 0.266 257 G C 0.245 175.163 174.900 0.030 0.000 0.978 257 G CA 0.198 45.313 45.100 0.025 0.000 0.632 257 G HN 0.639 nan 8.290 nan 0.000 0.537 258 E N 1.257 121.481 120.200 0.039 0.000 2.343 258 E HA 0.515 4.866 4.350 0.001 0.000 0.269 258 E C 0.386 177.014 176.600 0.046 0.000 1.047 258 E CA -0.098 56.326 56.400 0.039 0.000 0.874 258 E CB 0.300 30.026 29.700 0.042 0.000 1.033 258 E HN 0.632 nan 8.360 nan 0.000 0.409 259 E N 4.271 124.492 120.200 0.035 0.000 2.343 259 E HA 0.537 4.888 4.350 0.001 0.000 0.270 259 E C -0.494 176.108 176.600 0.003 0.000 0.895 259 E CA -0.940 55.480 56.400 0.033 0.000 0.767 259 E CB 1.473 31.201 29.700 0.046 0.000 1.248 259 E HN 0.536 nan 8.360 nan 0.000 0.440 260 I N -1.501 119.050 120.570 -0.031 0.000 2.892 260 I HA 0.706 4.877 4.170 0.001 0.000 0.306 260 I C -0.812 175.266 176.117 -0.066 0.000 1.078 260 I CA -1.277 59.981 61.300 -0.070 0.000 1.032 260 I CB 2.394 40.264 38.000 -0.217 0.000 1.229 260 I HN 0.577 nan 8.210 nan 0.000 0.435 261 R N 3.463 123.949 120.500 -0.024 0.000 2.621 261 R HA 0.741 5.081 4.340 0.001 0.000 0.284 261 R C -1.946 174.394 176.300 0.066 0.000 0.998 261 R CA -0.424 55.636 56.100 -0.067 0.000 0.895 261 R CB 2.063 32.334 30.300 -0.047 0.000 1.195 261 R HN 0.804 nan 8.270 nan 0.000 0.450 262 F N 0.555 120.486 119.950 -0.031 0.000 2.779 262 F HA 0.877 5.404 4.527 0.001 0.000 0.316 262 F C -1.932 173.842 175.800 -0.044 0.000 1.164 262 F CA -0.997 57.002 58.000 -0.002 0.000 0.924 262 F CB 1.133 40.198 39.000 0.110 0.000 1.348 262 F HN 0.586 nan 8.300 nan 0.000 0.467 263 A N 0.344 123.241 122.820 0.127 0.000 2.539 263 A HA 0.803 5.124 4.320 0.001 0.000 0.296 263 A C -2.450 175.054 177.584 -0.133 0.000 1.073 263 A CA -0.723 51.297 52.037 -0.029 0.000 0.700 263 A CB 1.168 20.153 19.000 -0.025 0.000 1.296 263 A HN 0.743 nan 8.150 nan 0.000 0.405 264 Y N -0.314 119.973 120.300 -0.021 0.000 2.487 264 Y HA 0.732 5.282 4.550 0.001 0.000 0.337 264 Y C -0.276 175.368 175.900 -0.427 0.000 1.076 264 Y CA -0.751 57.146 58.100 -0.338 0.000 1.115 264 Y CB 1.901 39.935 38.460 -0.709 0.000 1.235 264 Y HN 0.474 nan 8.280 nan 0.000 0.468 265 I N 3.079 123.516 120.570 -0.221 0.000 2.512 265 I HA 0.283 4.453 4.170 0.001 0.000 0.287 265 I C -1.438 174.562 176.117 -0.195 0.000 1.069 265 I CA -0.508 60.712 61.300 -0.134 0.000 1.056 265 I CB 1.803 39.884 38.000 0.136 0.000 1.229 265 I HN 0.321 nan 8.210 nan 0.000 0.429 266 L N 6.442 127.493 121.223 -0.288 0.000 2.272 266 L HA 1.002 5.343 4.340 0.001 0.000 0.289 266 L C 0.032 176.578 176.870 -0.541 0.000 1.032 266 L CA 0.499 55.130 54.840 -0.348 0.000 0.810 266 L CB 0.866 42.825 42.059 -0.166 0.000 1.205 266 L HN 0.713 nan 8.230 nan 0.000 0.422 267 G N 4.744 112.914 108.800 -1.049 0.000 2.663 267 G HA2 0.590 4.550 3.960 0.001 0.000 0.299 267 G HA3 0.590 4.550 3.960 0.001 0.000 0.299 267 G C -1.632 172.816 174.900 -0.752 0.000 1.372 267 G CA -0.727 43.766 45.100 -1.011 0.000 0.781 267 G HN 0.588 nan 8.290 nan 0.000 0.491 268 I N 0.141 120.579 120.570 -0.219 0.000 2.646 268 I HA 0.691 4.862 4.170 0.001 0.000 0.299 268 I C 0.439 176.586 176.117 0.051 0.000 1.036 268 I CA -0.295 60.976 61.300 -0.047 0.000 1.074 268 I CB 2.061 39.898 38.000 -0.272 0.000 1.258 268 I HN 1.268 nan 8.210 nan 0.000 0.430 269 G N 3.935 112.748 108.800 0.022 0.000 3.055 269 G HA2 -0.126 3.834 3.960 0.001 0.000 0.686 269 G HA3 -0.126 3.834 3.960 0.001 0.000 0.686 269 G C -0.883 174.109 174.900 0.153 0.000 1.087 269 G CA -0.979 44.198 45.100 0.129 0.000 0.779 269 G HN 0.599 nan 8.290 nan 0.000 0.599 270 K N 0.769 121.144 120.400 -0.043 0.000 2.414 270 K HA 0.444 4.765 4.320 0.001 0.000 0.272 270 K C 1.662 178.183 176.600 -0.131 0.000 0.993 270 K CA 0.952 57.106 56.287 -0.220 0.000 0.964 270 K CB 0.802 32.996 32.500 -0.510 0.000 0.925 270 K HN 2.133 nan 8.250 nan 0.000 0.487 271 G N 1.895 110.586 108.800 -0.181 0.000 2.347 271 G HA2 -0.325 3.636 3.960 0.001 0.000 0.247 271 G HA3 -0.325 3.636 3.960 0.001 0.000 0.247 271 G C 0.870 175.660 174.900 -0.182 0.000 1.037 271 G CA 0.354 45.355 45.100 -0.165 0.000 0.622 271 G HN 0.671 nan 8.290 nan 0.000 0.521 272 N N 1.382 119.986 118.700 -0.160 0.000 2.216 272 N HA -0.027 4.714 4.740 0.001 0.000 0.183 272 N C 2.316 177.568 175.510 -0.430 0.000 1.017 272 N CA 1.764 54.717 53.050 -0.161 0.000 0.861 272 N CB -0.788 37.752 38.487 0.088 0.000 0.986 272 N HN 0.590 nan 8.380 nan 0.000 0.428 273 G N 1.443 109.662 108.800 -0.969 0.000 2.421 273 G HA2 -0.235 3.726 3.960 0.001 0.000 0.216 273 G HA3 -0.235 3.726 3.960 0.001 0.000 0.216 273 G C 1.435 176.031 174.900 -0.507 0.000 1.171 273 G CA 0.717 45.076 45.100 -1.234 0.000 0.775 273 G HN 0.307 nan 8.290 nan 0.000 0.543 274 E N -0.191 119.781 120.200 -0.379 0.000 2.153 274 E HA -0.034 4.317 4.350 0.001 0.000 0.194 274 E C 2.366 178.853 176.600 -0.190 0.000 0.988 274 E CA 0.877 57.131 56.400 -0.243 0.000 0.811 274 E CB -0.126 29.450 29.700 -0.207 0.000 0.746 274 E HN 0.481 nan 8.360 nan 0.000 0.466 275 R N 0.578 120.959 120.500 -0.199 0.000 2.057 275 R HA -0.041 4.299 4.340 0.001 0.000 0.229 275 R C 2.075 178.279 176.300 -0.160 0.000 1.136 275 R CA 1.034 57.037 56.100 -0.161 0.000 0.952 275 R CB -0.205 29.997 30.300 -0.162 0.000 0.848 275 R HN 0.176 nan 8.270 nan 0.000 0.430 276 L N 1.169 122.289 121.223 -0.172 0.000 2.141 276 L HA -0.100 4.240 4.340 0.001 0.000 0.209 276 L C 2.726 179.553 176.870 -0.072 0.000 1.094 276 L CA 1.381 56.118 54.840 -0.170 0.000 0.763 276 L CB -0.477 41.580 42.059 -0.004 0.000 0.908 276 L HN 0.325 nan 8.230 nan 0.000 0.437 277 R N 0.466 120.936 120.500 -0.050 0.000 2.120 277 R HA -0.205 4.135 4.340 0.001 0.000 0.234 277 R C 1.920 178.208 176.300 -0.019 0.000 1.123 277 R CA 1.662 57.754 56.100 -0.013 0.000 0.975 277 R CB -0.431 29.822 30.300 -0.079 0.000 0.866 277 R HN 0.424 nan 8.270 nan 0.000 0.446 278 E N 0.284 120.452 120.200 -0.053 0.000 2.076 278 E HA -0.218 4.132 4.350 0.001 0.000 0.190 278 E C 1.794 178.373 176.600 -0.035 0.000 0.979 278 E CA 0.763 57.140 56.400 -0.039 0.000 0.807 278 E CB -0.102 29.568 29.700 -0.050 0.000 0.761 278 E HN 0.514 nan 8.360 nan 0.000 0.454 279 H N -0.652 118.293 119.070 -0.208 0.000 2.352 279 H HA -0.167 4.389 4.556 0.001 0.000 0.299 279 H C 0.989 176.176 175.328 -0.234 0.000 1.097 279 H CA 2.085 57.958 56.048 -0.293 0.000 1.311 279 H CB -0.146 29.305 29.762 -0.519 0.000 1.377 279 H HN 0.242 nan 8.280 nan 0.000 0.504 280 Y N 0.614 120.918 120.300 0.008 0.000 2.529 280 Y HA 0.051 4.601 4.550 0.001 0.000 0.290 280 Y C 2.064 177.947 175.900 -0.027 0.000 1.177 280 Y CA 0.218 58.298 58.100 -0.032 0.000 1.305 280 Y CB -0.261 38.216 38.460 0.027 0.000 1.047 280 Y HN 0.392 nan 8.280 nan 0.000 0.522 281 Q N -0.321 119.522 119.800 0.073 0.000 2.291 281 Q HA -0.123 4.217 4.340 0.001 0.000 0.205 281 Q C 0.270 176.296 176.000 0.044 0.000 0.970 281 Q CA 0.887 56.727 55.803 0.062 0.000 0.876 281 Q CB 0.097 28.855 28.738 0.033 0.000 0.935 281 Q HN 0.247 nan 8.270 nan 0.000 0.455 282 D N 0.535 120.936 120.400 0.002 0.000 2.411 282 D HA 0.030 4.671 4.640 0.001 0.000 0.225 282 D C 1.103 177.415 176.300 0.022 0.000 1.156 282 D CA -0.274 53.719 54.000 -0.011 0.000 0.874 282 D CB 1.408 42.166 40.800 -0.069 0.000 1.034 282 D HN -0.018 nan 8.370 nan 0.000 0.502 283 V N 2.858 122.799 119.914 0.045 0.000 2.828 283 V HA -0.182 3.938 4.120 0.001 0.000 0.260 283 V C 2.017 178.146 176.094 0.059 0.000 1.101 283 V CA 1.730 64.066 62.300 0.060 0.000 1.123 283 V CB -1.074 30.771 31.823 0.038 0.000 0.704 283 V HN 0.468 nan 8.190 nan 0.000 0.493 284 A N 0.997 123.840 122.820 0.038 0.000 1.972 284 A HA -0.166 4.154 4.320 0.001 0.000 0.219 284 A C 2.063 179.688 177.584 0.068 0.000 1.169 284 A CA 1.910 53.971 52.037 0.041 0.000 0.635 284 A CB -0.770 18.243 19.000 0.022 0.000 0.810 284 A HN 0.620 nan 8.150 nan 0.000 0.446 285 N N 0.000 118.731 118.700 0.051 0.000 2.331 285 N HA -0.024 4.716 4.740 0.001 0.000 0.180 285 N C 1.575 177.269 175.510 0.306 0.000 1.019 285 N CA 1.141 54.247 53.050 0.094 0.000 0.881 285 N CB -0.300 38.033 38.487 -0.257 0.000 0.972 285 N HN 0.587 nan 8.380 nan 0.000 0.435 286 I N 1.061 121.792 120.570 0.269 0.000 2.233 286 I HA -0.194 3.976 4.170 0.001 0.000 0.243 286 I C 1.519 177.787 176.117 0.252 0.000 1.093 286 I CA 0.987 62.420 61.300 0.222 0.000 1.380 286 I CB -0.182 37.877 38.000 0.099 0.000 1.067 286 I HN -0.043 nan 8.210 nan 0.000 0.413 287 D N 1.334 121.825 120.400 0.151 0.000 2.144 287 D HA -0.160 4.480 4.640 0.001 0.000 0.199 287 D C 2.240 178.640 176.300 0.166 0.000 0.984 287 D CA 1.610 55.681 54.000 0.118 0.000 0.834 287 D CB -0.087 40.749 40.800 0.060 0.000 0.955 287 D HN 0.352 nan 8.370 nan 0.000 0.465 288 A N 1.180 124.102 122.820 0.169 0.000 1.898 288 A HA -0.025 4.295 4.320 0.001 0.000 0.216 288 A C 2.347 180.053 177.584 0.203 0.000 1.181 288 A CA 2.061 54.195 52.037 0.162 0.000 0.620 288 A CB -0.588 18.504 19.000 0.154 0.000 0.819 288 A HN 0.239 nan 8.150 nan 0.000 0.442 289 A N -1.301 121.700 122.820 0.301 0.000 1.902 289 A HA -0.038 4.283 4.320 0.001 0.000 0.217 289 A C 2.045 179.826 177.584 0.327 0.000 1.181 289 A CA 1.568 53.832 52.037 0.378 0.000 0.623 289 A CB -0.705 18.609 19.000 0.523 0.000 0.818 289 A HN 0.615 nan 8.150 nan 0.000 0.443 290 F N 0.926 120.893 119.950 0.028 0.000 2.171 290 F HA -0.044 4.484 4.527 0.001 0.000 0.300 290 F C 2.511 178.187 175.800 -0.207 0.000 1.090 290 F CA 1.037 58.778 58.000 -0.432 0.000 1.293 290 F CB -0.329 38.300 39.000 -0.619 0.000 1.013 290 F HN 0.244 nan 8.300 nan 0.000 0.486 291 A N 0.160 122.992 122.820 0.021 0.000 1.972 291 A HA -0.069 4.251 4.320 0.001 0.000 0.219 291 A C 2.372 179.928 177.584 -0.046 0.000 1.169 291 A CA 1.627 53.654 52.037 -0.017 0.000 0.635 291 A CB -1.453 17.582 19.000 0.059 0.000 0.810 291 A HN 0.457 nan 8.150 nan 0.000 0.446 292 A N -0.315 122.509 122.820 0.006 0.000 1.969 292 A HA -0.001 4.319 4.320 0.001 0.000 0.218 292 A C 1.970 179.560 177.584 0.010 0.000 1.169 292 A CA 1.415 53.472 52.037 0.034 0.000 0.635 292 A CB -0.373 18.681 19.000 0.090 0.000 0.810 292 A HN 0.401 nan 8.150 nan 0.000 0.445 293 I N -0.254 120.271 120.570 -0.075 0.000 2.353 293 I HA -0.133 4.037 4.170 0.001 0.000 0.248 293 I C 2.066 178.161 176.117 -0.037 0.000 1.119 293 I CA 1.229 62.489 61.300 -0.067 0.000 1.417 293 I CB -0.807 37.096 38.000 -0.161 0.000 1.078 293 I HN 0.243 nan 8.210 nan 0.000 0.421 294 K N 1.006 121.278 120.400 -0.213 0.000 2.057 294 K HA -0.029 4.291 4.320 0.001 0.000 0.206 294 K C 2.164 178.782 176.600 0.030 0.000 1.050 294 K CA 1.375 57.603 56.287 -0.097 0.000 0.935 294 K CB -0.446 31.951 32.500 -0.172 0.000 0.715 294 K HN 0.253 nan 8.250 nan 0.000 0.439 295 A N 1.507 124.331 122.820 0.008 0.000 1.902 295 A HA -0.224 4.096 4.320 0.001 0.000 0.217 295 A C 2.166 179.756 177.584 0.010 0.000 1.181 295 A CA 1.633 53.680 52.037 0.018 0.000 0.623 295 A CB -0.851 18.156 19.000 0.011 0.000 0.818 295 A HN 0.408 nan 8.150 nan 0.000 0.443 296 H N -1.740 117.268 119.070 -0.104 0.000 2.319 296 H HA -0.237 4.320 4.556 0.001 0.000 0.297 296 H C 1.894 177.005 175.328 -0.360 0.000 1.097 296 H CA 2.424 58.321 56.048 -0.252 0.000 1.285 296 H CB -0.256 29.320 29.762 -0.310 0.000 1.368 296 H HN 0.716 nan 8.280 nan 0.000 0.495 297 W N 0.943 122.291 121.300 0.081 0.000 2.576 297 W HA -0.007 4.653 4.660 0.001 0.000 0.270 297 W C 2.326 178.816 176.519 -0.049 0.000 1.255 297 W CA 0.104 57.442 57.345 -0.010 0.000 1.314 297 W CB 0.190 29.619 29.460 -0.052 0.000 1.101 297 W HN 0.175 nan 8.180 nan 0.000 0.595 298 D N 0.711 121.195 120.400 0.140 0.000 2.117 298 D HA -0.182 4.459 4.640 0.001 0.000 0.197 298 D C 1.682 178.009 176.300 0.046 0.000 0.987 298 D CA 1.556 55.608 54.000 0.086 0.000 0.829 298 D CB -0.419 40.414 40.800 0.055 0.000 0.961 298 D HN 0.338 nan 8.370 nan 0.000 0.460 299 E N 0.490 120.679 120.200 -0.019 0.000 2.077 299 E HA -0.146 4.205 4.350 0.001 0.000 0.193 299 E C 2.278 178.845 176.600 -0.055 0.000 0.989 299 E CA 0.750 57.117 56.400 -0.055 0.000 0.800 299 E CB -0.010 29.614 29.700 -0.127 0.000 0.746 299 E HN 0.226 nan 8.360 nan 0.000 0.452 300 R N 0.225 120.666 120.500 -0.098 0.000 2.062 300 R HA -0.051 4.289 4.340 0.001 0.000 0.229 300 R C 2.560 178.921 176.300 0.101 0.000 1.128 300 R CA 1.351 57.409 56.100 -0.071 0.000 0.960 300 R CB -0.464 29.739 30.300 -0.160 0.000 0.855 300 R HN 0.220 nan 8.270 nan 0.000 0.432 301 C N 0.352 119.756 119.300 0.173 0.000 2.425 301 C HA -0.062 4.398 4.460 0.001 0.000 0.277 301 C C 2.853 177.968 174.990 0.209 0.000 1.280 301 C CA 0.735 59.880 59.018 0.212 0.000 1.744 301 C CB -0.958 26.881 27.740 0.164 0.000 1.989 301 C HN 0.591 nan 8.230 nan 0.000 0.491 302 A N 0.327 123.235 122.820 0.147 0.000 2.125 302 A HA -0.177 4.143 4.320 0.001 0.000 0.219 302 A C 2.052 179.731 177.584 0.158 0.000 1.156 302 A CA 1.328 53.444 52.037 0.131 0.000 0.671 302 A CB -0.431 18.619 19.000 0.085 0.000 0.794 302 A HN 0.737 nan 8.150 nan 0.000 0.459 303 K N -2.442 118.084 120.400 0.210 0.000 2.439 303 K HA 0.120 4.440 4.320 0.001 0.000 0.197 303 K C -0.550 176.300 176.600 0.416 0.000 1.041 303 K CA 0.475 56.933 56.287 0.285 0.000 0.970 303 K CB 0.036 32.704 32.500 0.280 0.000 0.773 303 K HN 0.477 nan 8.250 nan 0.000 0.479 304 F N 1.278 121.389 119.950 0.270 0.000 2.991 304 F HA 0.173 4.701 4.527 0.001 0.000 0.355 304 F C -1.551 174.354 175.800 0.175 0.000 1.262 304 F CA -0.930 57.189 58.000 0.198 0.000 1.127 304 F CB 1.337 40.438 39.000 0.167 0.000 1.447 304 F HN -0.268 nan 8.300 nan 0.000 0.584 305 Q N 4.448 124.317 119.800 0.115 0.000 2.375 305 Q HA 0.628 4.968 4.340 0.001 0.000 0.271 305 Q C -1.490 174.552 176.000 0.071 0.000 1.074 305 Q CA -0.778 55.129 55.803 0.173 0.000 0.808 305 Q CB 3.217 32.024 28.738 0.115 0.000 1.327 305 Q HN 0.548 nan 8.270 nan 0.000 0.441 306 V N 1.783 121.791 119.914 0.156 0.000 2.735 306 V HA 0.629 4.750 4.120 0.001 0.000 0.310 306 V C -1.368 174.769 176.094 0.070 0.000 1.061 306 V CA -0.619 61.752 62.300 0.119 0.000 0.913 306 V CB 2.158 34.088 31.823 0.178 0.000 1.005 306 V HN 0.707 nan 8.190 nan 0.000 0.428 307 K N 4.230 124.667 120.400 0.061 0.000 2.559 307 K HA 0.712 5.032 4.320 0.001 0.000 0.249 307 K C -0.678 175.904 176.600 -0.030 0.000 0.958 307 K CA -0.159 56.133 56.287 0.007 0.000 0.901 307 K CB 1.472 33.980 32.500 0.012 0.000 1.124 307 K HN 0.978 nan 8.250 nan 0.000 0.437 308 S N 2.385 117.990 115.700 -0.159 0.000 2.732 308 S HA 0.549 5.019 4.470 0.001 0.000 0.293 308 S C -2.322 171.975 174.600 -0.506 0.000 1.159 308 S CA -1.180 56.774 58.200 -0.410 0.000 0.847 308 S CB 1.541 64.374 63.200 -0.613 0.000 1.169 308 S HN 0.376 nan 8.310 nan 0.000 0.501 309 P HA 0.160 nan 4.420 nan 0.000 0.233 309 P C -0.295 176.785 177.300 -0.367 0.000 1.167 309 P CA 0.536 63.269 63.100 -0.613 0.000 0.770 309 P CB -0.056 31.114 31.700 -0.884 0.000 0.837 310 N N 0.568 119.059 118.700 -0.348 0.000 2.500 310 N HA 0.019 4.759 4.740 0.001 0.000 0.236 310 N C 0.933 176.370 175.510 -0.121 0.000 1.022 310 N CA 0.019 53.016 53.050 -0.088 0.000 0.935 310 N CB 0.927 39.480 38.487 0.110 0.000 1.147 310 N HN -0.193 nan 8.380 nan 0.000 0.512 311 Q N 3.278 123.010 119.800 -0.113 0.000 2.124 311 Q HA 0.009 4.349 4.340 0.001 0.000 0.202 311 Q C 1.621 177.377 176.000 -0.407 0.000 0.977 311 Q CA 2.061 57.761 55.803 -0.170 0.000 0.850 311 Q CB -0.533 28.161 28.738 -0.073 0.000 0.901 311 Q HN 0.763 nan 8.270 nan 0.000 0.429 312 G N 0.662 109.197 108.800 -0.441 0.000 2.418 312 G HA2 -0.242 3.719 3.960 0.001 0.000 0.217 312 G HA3 -0.242 3.719 3.960 0.001 0.000 0.217 312 G C 1.432 176.110 174.900 -0.371 0.000 1.158 312 G CA 0.803 45.403 45.100 -0.832 0.000 0.771 312 G HN 0.425 nan 8.290 nan 0.000 0.545 313 L N 0.232 121.416 121.223 -0.064 0.000 2.027 313 L HA -0.038 4.302 4.340 0.001 0.000 0.206 313 L C 2.417 179.262 176.870 -0.042 0.000 1.074 313 L CA 1.943 56.797 54.840 0.023 0.000 0.745 313 L CB -0.297 41.694 42.059 -0.113 0.000 0.898 313 L HN 0.071 nan 8.230 nan 0.000 0.433 314 D N -0.559 119.784 120.400 -0.095 0.000 2.104 314 D HA -0.196 4.445 4.640 0.001 0.000 0.194 314 D C 2.126 178.413 176.300 -0.022 0.000 0.994 314 D CA 1.987 55.958 54.000 -0.048 0.000 0.830 314 D CB -0.489 40.270 40.800 -0.068 0.000 0.959 314 D HN 0.342 nan 8.370 nan 0.000 0.452 315 T N 0.793 115.265 114.554 -0.138 0.000 2.720 315 T HA -0.143 4.207 4.350 0.001 0.000 0.268 315 T C 1.886 176.668 174.700 0.136 0.000 1.037 315 T CA 1.099 63.162 62.100 -0.062 0.000 1.144 315 T CB -0.052 68.593 68.868 -0.371 0.000 0.864 315 T HN 0.085 nan 8.240 nan 0.000 0.444 316 M N 0.385 120.033 119.600 0.079 0.000 2.160 316 M HA 0.102 4.582 4.480 0.001 0.000 0.264 316 M C 2.283 178.768 176.300 0.307 0.000 1.073 316 M CA 1.046 56.508 55.300 0.271 0.000 1.142 316 M CB -1.001 31.740 32.600 0.234 0.000 1.358 316 M HN 0.180 nan 8.290 nan 0.000 0.422 317 I N 0.978 121.692 120.570 0.242 0.000 2.315 317 I HA -0.237 3.934 4.170 0.001 0.000 0.248 317 I C 1.693 177.997 176.117 0.311 0.000 1.117 317 I CA 1.167 62.626 61.300 0.266 0.000 1.404 317 I CB -1.507 36.549 38.000 0.092 0.000 1.071 317 I HN 0.311 nan 8.210 nan 0.000 0.419 318 N N 0.573 119.407 118.700 0.225 0.000 2.512 318 N HA 0.007 4.748 4.740 0.001 0.000 0.183 318 N C 1.246 176.835 175.510 0.131 0.000 1.073 318 N CA 1.108 54.282 53.050 0.207 0.000 0.911 318 N CB 0.610 39.187 38.487 0.150 0.000 0.964 318 N HN 0.449 nan 8.380 nan 0.000 0.447 319 A N -1.047 121.819 122.820 0.075 0.000 1.687 319 A HA 0.159 4.479 4.320 0.001 0.000 0.158 319 A C 1.043 178.489 177.584 -0.230 0.000 1.516 319 A CA -0.187 51.738 52.037 -0.186 0.000 1.427 319 A CB -0.901 17.825 19.000 -0.457 0.000 1.263 319 A HN 0.161 nan 8.150 nan 0.000 0.837 320 W N 1.688 123.081 121.300 0.154 0.000 2.321 320 W HA -0.110 4.551 4.660 0.001 0.000 0.306 320 W C 2.296 178.901 176.519 0.144 0.000 1.217 320 W CA 2.293 59.741 57.345 0.171 0.000 1.257 320 W CB -0.578 29.013 29.460 0.217 0.000 1.145 320 W HN 0.345 nan 8.180 nan 0.000 0.509 321 T N 0.606 115.388 114.554 0.380 0.000 2.942 321 T HA -0.114 4.236 4.350 0.001 0.000 0.265 321 T C 1.725 176.548 174.700 0.205 0.000 1.062 321 T CA 1.115 63.435 62.100 0.367 0.000 1.139 321 T CB -0.480 68.716 68.868 0.546 0.000 0.883 321 T HN 0.021 nan 8.240 nan 0.000 0.468 322 L N 0.539 121.831 121.223 0.114 0.000 2.017 322 L HA 0.001 4.342 4.340 0.001 0.000 0.208 322 L C 2.097 178.985 176.870 0.030 0.000 1.073 322 L CA 1.640 56.364 54.840 -0.193 0.000 0.745 322 L CB -0.799 41.234 42.059 -0.045 0.000 0.894 322 L HN 0.370 nan 8.230 nan 0.000 0.432 323 Y N -0.209 120.011 120.300 -0.133 0.000 2.128 323 Y HA -0.361 4.190 4.550 0.001 0.000 0.284 323 Y C 2.814 178.710 175.900 -0.006 0.000 1.154 323 Y CA 1.908 59.848 58.100 -0.265 0.000 1.149 323 Y CB -0.024 38.121 38.460 -0.525 0.000 0.976 323 Y HN 0.435 nan 8.280 nan 0.000 0.505 324 Q N 0.233 119.999 119.800 -0.057 0.000 2.084 324 Q HA -0.204 4.137 4.340 0.001 0.000 0.202 324 Q C 2.347 178.346 176.000 -0.002 0.000 0.978 324 Q CA 1.436 57.160 55.803 -0.132 0.000 0.844 324 Q CB -0.291 28.352 28.738 -0.160 0.000 0.898 324 Q HN 0.606 nan 8.270 nan 0.000 0.426 325 A N 0.885 123.721 122.820 0.027 0.000 1.877 325 A HA -0.255 4.066 4.320 0.001 0.000 0.216 325 A C 1.883 179.482 177.584 0.026 0.000 1.186 325 A CA 1.751 53.796 52.037 0.014 0.000 0.620 325 A CB -0.744 18.233 19.000 -0.037 0.000 0.822 325 A HN 0.606 nan 8.150 nan 0.000 0.443 326 E N -0.949 119.301 120.200 0.084 0.000 2.150 326 E HA -0.131 4.220 4.350 0.001 0.000 0.193 326 E C 1.861 178.554 176.600 0.155 0.000 0.985 326 E CA 1.396 57.881 56.400 0.142 0.000 0.814 326 E CB -0.123 29.766 29.700 0.314 0.000 0.752 326 E HN 0.559 nan 8.360 nan 0.000 0.466 327 T N -0.142 114.517 114.554 0.175 0.000 2.746 327 T HA -0.179 4.171 4.350 0.001 0.000 0.267 327 T C 1.890 176.634 174.700 0.072 0.000 1.039 327 T CA 1.231 63.427 62.100 0.160 0.000 1.142 327 T CB -0.379 68.498 68.868 0.014 0.000 0.866 327 T HN 0.353 nan 8.240 nan 0.000 0.444 328 C N 0.849 120.159 119.300 0.017 0.000 2.429 328 C HA -0.000 4.460 4.460 0.001 0.000 0.277 328 C C 2.847 177.813 174.990 -0.040 0.000 1.262 328 C CA 0.169 59.176 59.018 -0.019 0.000 1.733 328 C CB -1.116 26.612 27.740 -0.021 0.000 2.010 328 C HN 0.361 nan 8.230 nan 0.000 0.483 329 V N 0.516 120.404 119.914 -0.043 0.000 2.343 329 V HA -0.165 3.956 4.120 0.001 0.000 0.247 329 V C 2.354 178.368 176.094 -0.133 0.000 1.051 329 V CA 1.983 64.235 62.300 -0.080 0.000 1.036 329 V CB -0.601 31.180 31.823 -0.069 0.000 0.654 329 V HN 0.462 nan 8.190 nan 0.000 0.451 330 V N -1.662 118.145 119.914 -0.179 0.000 2.302 330 V HA -0.174 3.947 4.120 0.001 0.000 0.243 330 V C 1.857 177.640 176.094 -0.518 0.000 1.036 330 V CA 1.849 63.897 62.300 -0.420 0.000 1.020 330 V CB -0.559 30.909 31.823 -0.593 0.000 0.657 330 V HN 0.673 nan 8.190 nan 0.000 0.453 331 W N -0.633 120.670 121.300 0.004 0.000 3.278 331 W HA 0.514 5.174 4.660 0.001 0.000 0.308 331 W C 1.399 177.911 176.519 -0.011 0.000 1.253 331 W CA 0.710 58.080 57.345 0.041 0.000 1.759 331 W CB 0.196 29.701 29.460 0.075 0.000 1.093 331 W HN 0.262 nan 8.180 nan 0.000 0.648 332 S N 0.291 116.027 115.700 0.061 0.000 3.630 332 S HA -0.239 4.231 4.470 0.001 0.000 0.634 332 S C 0.860 175.340 174.600 -0.200 0.000 2.333 332 S CA 0.861 59.013 58.200 -0.081 0.000 2.607 332 S CB -0.696 62.474 63.200 -0.050 0.000 0.329 332 S HN 0.292 nan 8.310 nan 0.000 1.712 333 R N 0.075 120.234 120.500 -0.567 0.000 2.543 333 R HA 0.287 4.627 4.340 0.001 0.000 0.323 333 R C 0.130 175.932 176.300 -0.829 0.000 1.002 333 R CA 0.300 55.971 56.100 -0.715 0.000 1.106 333 R CB -0.394 29.399 30.300 -0.845 0.000 1.280 333 R HN 0.492 nan 8.270 nan 0.000 0.549 334 F N 0.321 120.264 119.950 -0.011 0.000 2.708 334 F HA 0.468 4.996 4.527 0.001 0.000 0.300 334 F C 0.523 176.279 175.800 -0.073 0.000 1.118 334 F CA -0.905 57.063 58.000 -0.052 0.000 1.307 334 F CB 0.752 39.688 39.000 -0.106 0.000 0.986 334 F HN -0.169 nan 8.300 nan 0.000 0.522 335 A N 0.489 123.358 122.820 0.081 0.000 2.605 335 A HA 0.714 5.034 4.320 0.001 0.000 0.293 335 A C -0.047 177.667 177.584 0.217 0.000 1.216 335 A CA -0.057 52.042 52.037 0.104 0.000 0.742 335 A CB 0.367 19.338 19.000 -0.048 0.000 1.170 335 A HN 0.198 nan 8.150 nan 0.000 0.443 336 S N 0.368 116.206 115.700 0.231 0.000 3.287 336 S HA 0.721 5.192 4.470 0.001 0.000 0.324 336 S C -0.297 174.534 174.600 0.386 0.000 1.205 336 S CA -0.300 58.032 58.200 0.220 0.000 1.020 336 S CB 0.239 63.566 63.200 0.212 0.000 1.398 336 S HN 0.343 nan 8.310 nan 0.000 0.679 337 F N 0.500 120.468 119.950 0.030 0.000 2.749 337 F HA 0.501 5.028 4.527 0.001 0.000 0.300 337 F C 1.413 177.305 175.800 0.153 0.000 1.103 337 F CA -0.680 57.393 58.000 0.122 0.000 1.342 337 F CB -0.133 38.944 39.000 0.128 0.000 1.098 337 F HN 0.323 nan 8.300 nan 0.000 0.586 338 I N -1.181 119.531 120.570 0.235 0.000 3.300 338 I HA 0.059 4.229 4.170 0.001 0.000 0.279 338 I C 0.490 176.627 176.117 0.034 0.000 1.172 338 I CA 0.677 62.011 61.300 0.057 0.000 1.431 338 I CB -0.431 37.478 38.000 -0.152 0.000 1.240 338 I HN -0.231 nan 8.210 nan 0.000 0.453 339 E N 2.617 122.861 120.200 0.072 0.000 2.001 339 E HA 0.227 4.578 4.350 0.001 0.000 0.279 339 E C 0.287 176.933 176.600 0.077 0.000 1.045 339 E CA -0.025 56.423 56.400 0.081 0.000 0.833 339 E CB 1.394 31.170 29.700 0.126 0.000 1.077 339 E HN 0.114 nan 8.360 nan 0.000 0.397 340 V N 0.286 120.212 119.914 0.021 0.000 3.017 340 V HA 0.689 4.810 4.120 0.001 0.000 0.354 340 V C 0.377 176.407 176.094 -0.106 0.000 1.389 340 V CA -0.021 62.249 62.300 -0.050 0.000 1.163 340 V CB 0.461 32.283 31.823 -0.002 0.000 1.178 340 V HN 0.521 nan 8.190 nan 0.000 0.547 341 G N -1.852 106.890 108.800 -0.096 0.000 2.318 341 G HA2 0.560 4.520 3.960 0.001 0.000 0.302 341 G HA3 0.560 4.520 3.960 0.001 0.000 0.302 341 G C 0.065 174.893 174.900 -0.119 0.000 1.633 341 G CA 0.366 45.388 45.100 -0.130 0.000 0.965 341 G HN 1.769 nan 8.290 nan 0.000 0.698 342 G N 0.940 109.645 108.800 -0.158 0.000 3.597 342 G HA2 -0.124 3.836 3.960 0.001 0.000 0.256 342 G HA3 -0.124 3.836 3.960 0.001 0.000 0.256 342 G C 0.470 175.245 174.900 -0.208 0.000 1.792 342 G CA 0.287 45.303 45.100 -0.141 0.000 1.219 342 G HN 1.117 nan 8.290 nan 0.000 0.577 343 R N 1.526 121.875 120.500 -0.251 0.000 2.537 343 R HA 0.535 4.875 4.340 0.001 0.000 0.280 343 R C -0.059 175.804 176.300 -0.727 0.000 1.058 343 R CA 1.118 56.909 56.100 -0.515 0.000 1.057 343 R CB 0.935 30.877 30.300 -0.597 0.000 0.973 343 R HN 0.577 nan 8.270 nan 0.000 0.438 344 T N 0.319 114.388 114.554 -0.808 0.000 2.821 344 T HA 0.584 4.934 4.350 0.001 0.000 0.306 344 T C -0.010 174.406 174.700 -0.473 0.000 1.313 344 T CA 0.509 62.282 62.100 -0.545 0.000 1.012 344 T CB 1.655 70.328 68.868 -0.325 0.000 1.298 344 T HN 0.842 nan 8.240 nan 0.000 0.502 345 G N 1.474 110.169 108.800 -0.175 0.000 2.578 345 G HA2 -0.061 3.899 3.960 0.001 0.000 0.232 345 G HA3 -0.061 3.899 3.960 0.001 0.000 0.232 345 G C -1.422 173.440 174.900 -0.063 0.000 1.176 345 G CA -0.141 44.817 45.100 -0.237 0.000 0.968 345 G HN 0.974 nan 8.290 nan 0.000 0.583 346 L N 1.198 122.225 121.223 -0.326 0.000 2.386 346 L HA 0.681 5.021 4.340 0.001 0.000 0.271 346 L C 0.762 177.558 176.870 -0.123 0.000 0.993 346 L CA -0.454 54.239 54.840 -0.244 0.000 0.819 346 L CB 2.236 43.939 42.059 -0.592 0.000 1.294 346 L HN 1.014 nan 8.230 nan 0.000 0.414 347 G N 0.154 109.023 108.800 0.116 0.000 2.325 347 G HA2 0.206 4.167 3.960 0.001 0.000 0.298 347 G HA3 0.206 4.167 3.960 0.001 0.000 0.298 347 G C 0.044 175.019 174.900 0.125 0.000 1.134 347 G CA -0.129 45.049 45.100 0.130 0.000 0.876 347 G HN 0.666 nan 8.290 nan 0.000 0.452 348 Y N 2.712 123.115 120.300 0.172 0.000 2.053 348 Y HA -0.308 4.242 4.550 0.001 0.000 0.277 348 Y C 3.062 179.106 175.900 0.239 0.000 1.159 348 Y CA 2.662 60.943 58.100 0.301 0.000 1.125 348 Y CB 0.171 38.862 38.460 0.385 0.000 0.969 348 Y HN 0.658 nan 8.280 nan 0.000 0.492 349 R N 0.110 120.890 120.500 0.467 0.000 2.115 349 R HA -0.138 4.202 4.340 0.001 0.000 0.230 349 R C 1.543 177.908 176.300 0.108 0.000 1.111 349 R CA 1.843 58.160 56.100 0.360 0.000 0.976 349 R CB -0.607 29.912 30.300 0.366 0.000 0.870 349 R HN 0.295 nan 8.270 nan 0.000 0.445 350 D N 0.648 121.090 120.400 0.070 0.000 2.078 350 D HA -0.119 4.521 4.640 0.001 0.000 0.193 350 D C 1.744 178.039 176.300 -0.008 0.000 0.990 350 D CA 2.075 56.076 54.000 0.001 0.000 0.827 350 D CB -0.457 40.320 40.800 -0.039 0.000 0.975 350 D HN 0.276 nan 8.370 nan 0.000 0.451 351 T N 0.980 115.518 114.554 -0.028 0.000 2.904 351 T HA -0.011 4.339 4.350 0.001 0.000 0.267 351 T C 2.019 176.696 174.700 -0.038 0.000 1.059 351 T CA 1.076 63.141 62.100 -0.058 0.000 1.137 351 T CB -0.156 68.653 68.868 -0.099 0.000 0.879 351 T HN 0.179 nan 8.240 nan 0.000 0.467 352 A N 1.555 124.378 122.820 0.004 0.000 1.908 352 A HA -0.191 4.130 4.320 0.001 0.000 0.218 352 A C 2.275 179.921 177.584 0.103 0.000 1.181 352 A CA 1.516 53.602 52.037 0.083 0.000 0.627 352 A CB -0.528 18.631 19.000 0.265 0.000 0.818 352 A HN 0.547 nan 8.150 nan 0.000 0.445 353 Q N -0.712 119.132 119.800 0.074 0.000 2.062 353 Q HA -0.131 4.209 4.340 0.001 0.000 0.196 353 Q C 1.542 177.481 176.000 -0.102 0.000 0.967 353 Q CA 1.185 57.007 55.803 0.032 0.000 0.832 353 Q CB -0.239 28.544 28.738 0.076 0.000 0.899 353 Q HN 0.562 nan 8.270 nan 0.000 0.442 354 D N 1.234 121.603 120.400 -0.051 0.000 2.133 354 D HA -0.161 4.480 4.640 0.001 0.000 0.195 354 D C 1.648 177.883 176.300 -0.108 0.000 0.997 354 D CA 1.467 55.422 54.000 -0.077 0.000 0.840 354 D CB -0.254 40.518 40.800 -0.047 0.000 0.947 354 D HN 0.263 nan 8.370 nan 0.000 0.452 355 A N 0.336 123.101 122.820 -0.091 0.000 2.225 355 A HA -0.069 4.251 4.320 0.001 0.000 0.215 355 A C 2.117 179.641 177.584 -0.099 0.000 1.164 355 A CA 0.350 52.336 52.037 -0.085 0.000 0.710 355 A CB -0.688 18.267 19.000 -0.076 0.000 0.780 355 A HN 0.310 nan 8.150 nan 0.000 0.473 356 I N -0.210 120.241 120.570 -0.199 0.000 3.226 356 I HA -0.120 4.050 4.170 0.001 0.000 0.277 356 I C 2.403 178.330 176.117 -0.317 0.000 1.243 356 I CA 1.199 62.308 61.300 -0.320 0.000 1.459 356 I CB 0.080 37.710 38.000 -0.617 0.000 1.093 356 I HN 0.470 nan 8.210 nan 0.000 0.453 357 S N 0.431 116.013 115.700 -0.197 0.000 2.395 357 S HA -0.061 4.410 4.470 0.001 0.000 0.225 357 S C 1.233 175.947 174.600 0.189 0.000 1.027 357 S CA 0.848 59.055 58.200 0.012 0.000 0.965 357 S CB -0.239 62.967 63.200 0.009 0.000 0.812 357 S HN 0.308 nan 8.310 nan 0.000 0.482 358 V N -1.879 118.105 119.914 0.117 0.000 2.838 358 V HA 0.507 4.627 4.120 0.001 0.000 0.363 358 V C -2.042 174.134 176.094 0.136 0.000 1.324 358 V CA -1.116 61.293 62.300 0.183 0.000 1.220 358 V CB 0.637 32.453 31.823 -0.010 0.000 1.328 358 V HN 0.180 nan 8.190 nan 0.000 0.595 359 P HA -0.149 nan 4.420 nan 0.000 0.226 359 P C 1.369 178.755 177.300 0.142 0.000 1.153 359 P CA 1.740 64.935 63.100 0.158 0.000 0.777 359 P CB -0.104 31.709 31.700 0.188 0.000 0.794 360 H N -0.380 118.759 119.070 0.115 0.000 2.470 360 H HA 0.226 4.783 4.556 0.001 0.000 0.289 360 H C 1.489 176.880 175.328 0.105 0.000 1.033 360 H CA 1.328 57.462 56.048 0.143 0.000 1.331 360 H CB -0.708 29.186 29.762 0.219 0.000 1.414 360 H HN 0.069 nan 8.280 nan 0.000 0.545 361 A N 0.457 122.816 122.820 -0.768 0.000 1.973 361 A HA 0.042 4.363 4.320 0.001 0.000 0.210 361 A C 1.144 178.551 177.584 -0.296 0.000 1.200 361 A CA 0.534 52.235 52.037 -0.561 0.000 0.707 361 A CB 0.234 18.852 19.000 -0.637 0.000 0.862 361 A HN 0.355 nan 8.150 nan 0.000 0.461 362 N N -0.280 118.292 118.700 -0.213 0.000 2.752 362 N HA 0.204 4.945 4.740 0.001 0.000 0.260 362 N C -2.403 173.065 175.510 -0.070 0.000 1.562 362 N CA -1.616 51.341 53.050 -0.154 0.000 0.788 362 N CB 1.321 39.713 38.487 -0.159 0.000 1.192 362 N HN 0.057 nan 8.380 nan 0.000 0.503 363 P HA -0.092 nan 4.420 nan 0.000 0.218 363 P C 0.547 177.888 177.300 0.069 0.000 1.149 363 P CA 1.159 64.311 63.100 0.086 0.000 0.817 363 P CB 0.773 32.506 31.700 0.055 0.000 0.785 364 E N -0.381 119.810 120.200 -0.016 0.000 2.051 364 E HA -0.152 4.198 4.350 0.001 0.000 0.192 364 E C 2.128 178.674 176.600 -0.091 0.000 0.991 364 E CA 1.249 57.620 56.400 -0.049 0.000 0.799 364 E CB -0.823 28.843 29.700 -0.057 0.000 0.748 364 E HN 0.114 nan 8.360 nan 0.000 0.449 365 M N 0.209 119.749 119.600 -0.099 0.000 2.254 365 M HA -0.056 4.424 4.480 0.001 0.000 0.265 365 M C 1.818 178.036 176.300 -0.137 0.000 1.066 365 M CA 1.531 56.757 55.300 -0.124 0.000 1.123 365 M CB -0.302 32.217 32.600 -0.135 0.000 1.388 365 M HN 0.008 nan 8.290 nan 0.000 0.425 366 T N -0.042 114.441 114.554 -0.118 0.000 2.746 366 T HA -0.154 4.196 4.350 0.001 0.000 0.267 366 T C 1.923 176.427 174.700 -0.326 0.000 1.039 366 T CA 1.639 63.654 62.100 -0.142 0.000 1.142 366 T CB -0.295 68.564 68.868 -0.015 0.000 0.866 366 T HN 0.433 nan 8.240 nan 0.000 0.444 367 R N 0.919 121.149 120.500 -0.450 0.000 2.081 367 R HA -0.077 4.264 4.340 0.001 0.000 0.235 367 R C 2.519 178.593 176.300 -0.377 0.000 1.131 367 R CA 1.172 56.828 56.100 -0.740 0.000 0.960 367 R CB -0.106 29.826 30.300 -0.613 0.000 0.856 367 R HN 0.088 nan 8.270 nan 0.000 0.436 368 K N 0.658 120.924 120.400 -0.222 0.000 2.032 368 K HA -0.151 4.169 4.320 0.001 0.000 0.209 368 K C 1.939 178.476 176.600 -0.105 0.000 1.048 368 K CA 1.400 57.611 56.287 -0.127 0.000 0.927 368 K CB -0.093 32.346 32.500 -0.103 0.000 0.712 368 K HN 0.095 nan 8.250 nan 0.000 0.441 369 R N 0.667 121.090 120.500 -0.128 0.000 2.096 369 R HA -0.005 4.335 4.340 0.001 0.000 0.235 369 R C 2.447 178.694 176.300 -0.088 0.000 1.127 369 R CA 0.860 56.900 56.100 -0.099 0.000 0.968 369 R CB -0.709 29.523 30.300 -0.114 0.000 0.861 369 R HN 0.364 nan 8.270 nan 0.000 0.440 370 I N 0.220 120.707 120.570 -0.138 0.000 2.252 370 I HA -0.223 3.947 4.170 0.001 0.000 0.245 370 I C 2.197 178.304 176.117 -0.016 0.000 1.102 370 I CA 0.991 62.235 61.300 -0.094 0.000 1.385 370 I CB -0.240 37.645 38.000 -0.191 0.000 1.064 370 I HN -0.122 nan 8.210 nan 0.000 0.414 371 V N 0.679 120.587 119.914 -0.010 0.000 2.427 371 V HA -0.271 3.849 4.120 0.001 0.000 0.248 371 V C 2.055 178.158 176.094 0.014 0.000 1.051 371 V CA 1.803 64.118 62.300 0.024 0.000 1.048 371 V CB -0.671 31.176 31.823 0.040 0.000 0.666 371 V HN 0.388 nan 8.190 nan 0.000 0.456 372 D N 0.282 120.710 120.400 0.047 0.000 2.104 372 D HA -0.153 4.488 4.640 0.001 0.000 0.194 372 D C 2.142 178.553 176.300 0.184 0.000 0.994 372 D CA 1.349 55.446 54.000 0.161 0.000 0.830 372 D CB -0.257 40.642 40.800 0.165 0.000 0.959 372 D HN 0.339 nan 8.370 nan 0.000 0.452 373 L N 0.174 121.442 121.223 0.075 0.000 2.093 373 L HA -0.121 4.219 4.340 0.001 0.000 0.208 373 L C 2.567 179.437 176.870 -0.001 0.000 1.085 373 L CA 0.535 55.338 54.840 -0.062 0.000 0.755 373 L CB -0.289 41.615 42.059 -0.258 0.000 0.904 373 L HN 0.036 nan 8.230 nan 0.000 0.435 374 L N -0.694 120.504 121.223 -0.043 0.000 2.093 374 L HA -0.170 4.171 4.340 0.001 0.000 0.208 374 L C 2.706 179.464 176.870 -0.187 0.000 1.085 374 L CA 1.153 55.901 54.840 -0.153 0.000 0.755 374 L CB -0.368 41.461 42.059 -0.384 0.000 0.904 374 L HN 0.183 nan 8.230 nan 0.000 0.435 375 R N -0.381 120.007 120.500 -0.187 0.000 2.189 375 R HA -0.028 4.312 4.340 0.001 0.000 0.218 375 R C 1.915 177.841 176.300 -0.624 0.000 1.074 375 R CA 0.907 56.843 56.100 -0.275 0.000 0.991 375 R CB -0.305 29.934 30.300 -0.102 0.000 0.883 375 R HN 0.338 nan 8.270 nan 0.000 0.457 376 G N 0.231 108.691 108.800 -0.567 0.000 3.233 376 G HA2 -0.084 3.876 3.960 0.001 0.000 0.227 376 G HA3 -0.084 3.876 3.960 0.001 0.000 0.227 376 G C 0.039 174.702 174.900 -0.396 0.000 1.175 376 G CA -0.319 44.221 45.100 -0.934 0.000 0.781 376 G HN 0.187 nan 8.290 nan 0.000 0.542 377 Q N 0.847 120.548 119.800 -0.165 0.000 2.245 377 Q HA 0.511 4.852 4.340 0.001 0.000 0.256 377 Q C -0.106 175.825 176.000 -0.115 0.000 0.942 377 Q CA -0.732 55.020 55.803 -0.084 0.000 0.896 377 Q CB 2.092 30.927 28.738 0.162 0.000 1.272 377 Q HN 0.101 nan 8.270 nan 0.000 0.442 378 V N 1.126 120.802 119.914 -0.397 0.000 2.973 378 V HA 0.323 4.444 4.120 0.001 0.000 0.314 378 V C 0.830 176.499 176.094 -0.709 0.000 1.066 378 V CA -0.447 61.555 62.300 -0.497 0.000 1.021 378 V CB 1.392 32.764 31.823 -0.751 0.000 1.076 378 V HN 0.943 nan 8.190 nan 0.000 0.462 379 K N 1.769 121.631 120.400 -0.897 0.000 2.113 379 K HA -0.132 4.188 4.320 0.001 0.000 0.208 379 K C 2.223 178.384 176.600 -0.733 0.000 1.047 379 K CA 1.755 57.295 56.287 -1.245 0.000 0.928 379 K CB -0.590 31.439 32.500 -0.784 0.000 0.716 379 K HN 0.909 nan 8.250 nan 0.000 0.446 380 A N 0.284 122.787 122.820 -0.528 0.000 2.032 380 A HA -0.110 4.210 4.320 0.001 0.000 0.221 380 A C 1.836 179.266 177.584 -0.256 0.000 1.165 380 A CA 2.092 53.969 52.037 -0.268 0.000 0.645 380 A CB -0.502 18.422 19.000 -0.127 0.000 0.807 380 A HN 0.522 nan 8.150 nan 0.000 0.453 381 G N -3.026 105.457 108.800 -0.529 0.000 2.380 381 G HA2 -0.182 3.778 3.960 0.001 0.000 0.197 381 G HA3 -0.182 3.778 3.960 0.001 0.000 0.197 381 G C 0.259 174.709 174.900 -0.750 0.000 1.001 381 G CA 0.197 45.020 45.100 -0.461 0.000 0.668 381 G HN 1.204 nan 8.290 nan 0.000 0.483 382 Y N 0.919 120.604 120.300 -1.024 0.000 2.334 382 Y HA 0.736 5.286 4.550 0.001 0.000 0.325 382 Y C 0.798 176.337 175.900 -0.602 0.000 1.308 382 Y CA -1.190 56.263 58.100 -1.079 0.000 1.389 382 Y CB 0.485 38.200 38.460 -1.241 0.000 1.328 382 Y HN 0.426 nan 8.280 nan 0.000 0.532 383 G N 0.714 109.287 108.800 -0.378 0.000 2.441 383 G HA2 0.533 4.494 3.960 0.001 0.000 0.334 383 G HA3 0.533 4.494 3.960 0.001 0.000 0.334 383 G C -1.418 173.392 174.900 -0.151 0.000 1.161 383 G CA -1.325 43.349 45.100 -0.710 0.000 0.935 383 G HN 0.796 nan 8.290 nan 0.000 0.488 384 L N 1.473 122.667 121.223 -0.049 0.000 2.433 384 L HA 0.096 4.436 4.340 0.001 0.000 0.275 384 L C 1.687 178.915 176.870 0.598 0.000 1.128 384 L CA -0.578 54.351 54.840 0.149 0.000 0.875 384 L CB 0.793 42.910 42.059 0.096 0.000 1.171 384 L HN 0.810 nan 8.230 nan 0.000 0.463 385 H N 3.494 122.952 119.070 0.647 0.000 2.357 385 H HA -0.110 4.447 4.556 0.001 0.000 0.296 385 H C -0.133 175.503 175.328 0.513 0.000 1.108 385 H CA 1.669 58.023 56.048 0.510 0.000 1.273 385 H CB 0.233 30.208 29.762 0.355 0.000 1.367 385 H HN 0.380 nan 8.280 nan 0.000 0.498 386 L N 0.641 122.155 121.223 0.486 0.000 2.470 386 L HA 0.388 4.729 4.340 0.001 0.000 0.268 386 L C -1.656 175.463 176.870 0.415 0.000 0.964 386 L CA -0.841 54.166 54.840 0.279 0.000 0.839 386 L CB 1.200 43.329 42.059 0.116 0.000 1.276 386 L HN 0.192 nan 8.230 nan 0.000 0.403 387 F N 1.255 121.246 119.950 0.069 0.000 2.711 387 F HA 0.634 5.162 4.527 0.001 0.000 0.313 387 F C -1.386 174.099 175.800 -0.526 0.000 1.141 387 F CA -0.953 56.980 58.000 -0.111 0.000 0.941 387 F CB 1.197 40.394 39.000 0.328 0.000 1.349 387 F HN 0.416 nan 8.300 nan 0.000 0.464 388 D N 3.106 122.706 120.400 -1.334 0.000 2.373 388 D HA 0.349 4.990 4.640 0.001 0.000 0.227 388 D C -1.706 174.269 176.300 -0.542 0.000 1.091 388 D CA -2.625 50.666 54.000 -1.180 0.000 0.840 388 D CB 2.017 41.756 40.800 -1.769 0.000 1.060 388 D HN 0.321 nan 8.370 nan 0.000 0.502 389 P HA -0.137 nan 4.420 nan 0.000 0.219 389 P C 0.489 177.859 177.300 0.118 0.000 1.146 389 P CA 0.765 63.969 63.100 0.174 0.000 0.808 389 P CB 0.580 32.318 31.700 0.063 0.000 0.779 390 D N -1.285 119.091 120.400 -0.040 0.000 2.264 390 D HA -0.130 4.510 4.640 0.001 0.000 0.208 390 D C 1.810 178.171 176.300 0.102 0.000 0.966 390 D CA 0.675 54.696 54.000 0.035 0.000 0.864 390 D CB -0.630 40.185 40.800 0.026 0.000 0.933 390 D HN 0.227 nan 8.370 nan 0.000 0.499 391 W N 0.195 121.402 121.300 -0.156 0.000 2.363 391 W HA -0.074 4.587 4.660 0.001 0.000 0.296 391 W C 1.369 177.597 176.519 -0.485 0.000 1.212 391 W CA 0.427 57.513 57.345 -0.430 0.000 1.260 391 W CB -1.033 27.935 29.460 -0.820 0.000 1.131 391 W HN 0.019 nan 8.180 nan 0.000 0.530 392 F N -0.621 119.533 119.950 0.339 0.000 2.653 392 F HA 0.140 4.668 4.527 0.001 0.000 0.304 392 F C 0.372 176.257 175.800 0.142 0.000 1.092 392 F CA -0.588 57.535 58.000 0.206 0.000 1.279 392 F CB -0.488 38.618 39.000 0.177 0.000 1.044 392 F HN -0.364 nan 8.300 nan 0.000 0.564 393 D N 3.323 123.865 120.400 0.237 0.000 2.365 393 D HA 0.163 4.803 4.640 0.001 0.000 0.237 393 D C -1.645 174.731 176.300 0.127 0.000 1.190 393 D CA -1.630 52.468 54.000 0.164 0.000 0.867 393 D CB 0.849 41.725 40.800 0.127 0.000 1.050 393 D HN 0.071 nan 8.370 nan 0.000 0.491 418 H N 3.122 122.296 119.070 0.174 0.000 2.651 418 H HA 0.870 5.427 4.556 0.001 0.000 0.353 418 H C -0.084 175.335 175.328 0.153 0.000 1.178 418 H CA -0.776 55.356 56.048 0.141 0.000 1.224 418 H CB 2.489 32.333 29.762 0.136 0.000 1.702 418 H HN 0.584 nan 8.280 nan 0.000 0.550 419 G N 0.063 109.053 108.800 0.317 0.000 2.532 419 G HA2 0.292 4.252 3.960 0.001 0.000 0.291 419 G HA3 0.292 4.252 3.960 0.001 0.000 0.291 419 G C 0.916 175.846 174.900 0.050 0.000 1.349 419 G CA -0.364 44.862 45.100 0.210 0.000 1.038 419 G HN 0.655 nan 8.290 nan 0.000 0.518 420 I N -0.980 119.564 120.570 -0.044 0.000 2.756 420 I HA -0.023 4.148 4.170 0.001 0.000 0.262 420 I C 2.277 178.276 176.117 -0.197 0.000 1.225 420 I CA 1.283 62.449 61.300 -0.224 0.000 1.472 420 I CB -0.816 37.153 38.000 -0.053 0.000 1.094 420 I HN 0.619 nan 8.210 nan 0.000 0.454 421 K N 0.681 121.007 120.400 -0.123 0.000 2.155 421 K HA -0.054 4.267 4.320 0.001 0.000 0.203 421 K C 0.943 177.424 176.600 -0.199 0.000 1.052 421 K CA 1.588 57.802 56.287 -0.122 0.000 0.948 421 K CB -0.356 32.101 32.500 -0.072 0.000 0.728 421 K HN 0.302 nan 8.250 nan 0.000 0.448 422 D N 0.980 121.201 120.400 -0.299 0.000 2.368 422 D HA 0.043 4.683 4.640 0.001 0.000 0.218 422 D C -0.383 175.498 176.300 -0.697 0.000 1.112 422 D CA 0.211 53.937 54.000 -0.457 0.000 0.834 422 D CB 0.573 41.094 40.800 -0.466 0.000 0.953 422 D HN 0.164 nan 8.370 nan 0.000 0.505 423 T N 0.999 115.220 114.554 -0.556 0.000 2.869 423 T HA 0.215 4.565 4.350 0.001 0.000 0.295 423 T C 0.313 174.846 174.700 -0.279 0.000 0.987 423 T CA -0.169 61.649 62.100 -0.471 0.000 1.109 423 T CB 1.264 69.695 68.868 -0.729 0.000 0.932 423 T HN 0.097 nan 8.240 nan 0.000 0.518 424 c N 3.337 121.846 118.600 -0.151 0.000 2.264 424 c HA 0.305 4.875 4.570 0.001 0.000 0.324 424 c C 2.080 176.201 174.090 0.051 0.000 1.267 424 c CA -0.914 55.377 56.329 -0.063 0.000 1.618 424 c CB -0.126 42.349 42.510 -0.058 0.000 2.278 424 c HN 1.103 nan 8.230 nan 0.000 0.499 425 S N 1.268 117.005 115.700 0.062 0.000 2.488 425 S HA -0.222 4.248 4.470 0.001 0.000 0.246 425 S C 1.181 175.829 174.600 0.081 0.000 0.992 425 S CA 2.052 60.339 58.200 0.146 0.000 0.963 425 S CB -0.236 63.034 63.200 0.116 0.000 0.754 425 S HN 0.909 nan 8.310 nan 0.000 0.519 426 D N 0.333 120.773 120.400 0.067 0.000 2.423 426 D HA 0.004 4.644 4.640 0.001 0.000 0.212 426 D C 0.792 177.110 176.300 0.031 0.000 1.060 426 D CA 0.346 54.333 54.000 -0.022 0.000 0.872 426 D CB -0.614 40.298 40.800 0.187 0.000 1.012 426 D HN 0.145 nan 8.370 nan 0.000 0.503 427 D N 1.816 122.366 120.400 0.250 0.000 2.230 427 D HA -0.275 4.365 4.640 0.001 0.000 0.189 427 D C 1.993 178.517 176.300 0.373 0.000 1.006 427 D CA 2.344 56.601 54.000 0.428 0.000 0.853 427 D CB -1.006 39.991 40.800 0.328 0.000 0.959 427 D HN 0.677 nan 8.370 nan 0.000 0.449 428 H N -0.333 118.786 119.070 0.082 0.000 2.421 428 H HA 0.047 4.604 4.556 0.001 0.000 0.298 428 H C 2.239 177.666 175.328 0.164 0.000 1.087 428 H CA 0.766 56.864 56.048 0.083 0.000 1.330 428 H CB -0.733 28.946 29.762 -0.138 0.000 1.388 428 H HN 0.160 nan 8.280 nan 0.000 0.526 429 L N -0.733 120.248 121.223 -0.402 0.000 2.141 429 L HA -0.117 4.224 4.340 0.001 0.000 0.209 429 L C 1.845 178.664 176.870 -0.085 0.000 1.094 429 L CA 1.083 55.770 54.840 -0.255 0.000 0.763 429 L CB -0.495 41.301 42.059 -0.438 0.000 0.908 429 L HN 0.369 nan 8.230 nan 0.000 0.437 430 W N -0.412 120.971 121.300 0.139 0.000 2.392 430 W HA -0.200 4.461 4.660 0.001 0.000 0.279 430 W C 2.285 178.889 176.519 0.142 0.000 1.225 430 W CA 0.040 57.511 57.345 0.210 0.000 1.233 430 W CB -0.250 29.392 29.460 0.305 0.000 1.122 430 W HN 0.097 nan 8.180 nan 0.000 0.561 431 L N 0.332 121.779 121.223 0.373 0.000 2.131 431 L HA -0.201 4.140 4.340 0.001 0.000 0.210 431 L C 2.035 179.012 176.870 0.179 0.000 1.092 431 L CA 1.622 56.625 54.840 0.272 0.000 0.759 431 L CB -0.835 41.420 42.059 0.326 0.000 0.903 431 L HN -0.089 nan 8.230 nan 0.000 0.435 432 I N 0.431 121.072 120.570 0.119 0.000 2.099 432 I HA -0.189 3.981 4.170 0.001 0.000 0.239 432 I C 0.003 176.133 176.117 0.020 0.000 1.066 432 I CA 1.611 62.956 61.300 0.075 0.000 1.324 432 I CB -2.776 35.221 38.000 -0.004 0.000 1.037 432 I HN 0.219 nan 8.210 nan 0.000 0.401 433 P HA -0.081 nan 4.420 nan 0.000 0.218 433 P C 1.771 179.036 177.300 -0.058 0.000 1.149 433 P CA 1.499 64.432 63.100 -0.279 0.000 0.817 433 P CB -0.097 31.089 31.700 -0.857 0.000 0.785 434 T N -0.656 113.903 114.554 0.008 0.000 2.777 434 T HA -0.078 4.273 4.350 0.001 0.000 0.266 434 T C 1.734 176.506 174.700 0.119 0.000 1.040 434 T CA 1.042 63.162 62.100 0.033 0.000 1.141 434 T CB -0.786 68.112 68.868 0.050 0.000 0.868 434 T HN 0.072 nan 8.240 nan 0.000 0.444 435 I N 0.664 121.348 120.570 0.190 0.000 2.252 435 I HA -0.174 3.997 4.170 0.001 0.000 0.245 435 I C 2.646 178.999 176.117 0.393 0.000 1.102 435 I CA 0.782 62.267 61.300 0.308 0.000 1.385 435 I CB -0.452 37.783 38.000 0.392 0.000 1.064 435 I HN 0.326 nan 8.210 nan 0.000 0.414 436 C N 0.734 120.263 119.300 0.383 0.000 2.413 436 C HA -0.198 4.262 4.460 0.001 0.000 0.276 436 C C 2.863 177.972 174.990 0.199 0.000 1.248 436 C CA 1.125 60.416 59.018 0.454 0.000 1.742 436 C CB -0.883 27.065 27.740 0.346 0.000 2.017 436 C HN 0.433 nan 8.230 nan 0.000 0.481 437 K N 0.218 120.681 120.400 0.104 0.000 2.057 437 K HA -0.185 4.136 4.320 0.001 0.000 0.207 437 K C 1.940 178.577 176.600 0.061 0.000 1.049 437 K CA 1.539 57.845 56.287 0.033 0.000 0.931 437 K CB -0.731 31.788 32.500 0.031 0.000 0.714 437 K HN 0.588 nan 8.250 nan 0.000 0.440 438 Y N 0.245 120.554 120.300 0.014 0.000 2.128 438 Y HA -0.210 4.340 4.550 0.001 0.000 0.284 438 Y C 1.710 177.607 175.900 -0.006 0.000 1.154 438 Y CA 1.839 59.922 58.100 -0.027 0.000 1.149 438 Y CB -0.366 38.029 38.460 -0.109 0.000 0.976 438 Y HN -0.095 nan 8.280 nan 0.000 0.505 439 V N 0.513 120.409 119.914 -0.031 0.000 2.427 439 V HA -0.339 3.782 4.120 0.001 0.000 0.248 439 V C 2.420 178.540 176.094 0.044 0.000 1.051 439 V CA 2.145 64.430 62.300 -0.026 0.000 1.048 439 V CB -0.648 31.343 31.823 0.280 0.000 0.666 439 V HN 0.474 nan 8.190 nan 0.000 0.456 440 M N -0.318 119.279 119.600 -0.006 0.000 2.080 440 M HA -0.225 4.255 4.480 0.001 0.000 0.260 440 M C 2.307 178.690 176.300 0.139 0.000 1.068 440 M CA 2.144 57.373 55.300 -0.118 0.000 1.109 440 M CB -0.411 31.947 32.600 -0.403 0.000 1.342 440 M HN 0.308 nan 8.290 nan 0.000 0.405 441 E N 0.228 120.470 120.200 0.070 0.000 2.047 441 E HA -0.144 4.206 4.350 0.001 0.000 0.191 441 E C 1.904 178.579 176.600 0.125 0.000 0.987 441 E CA 2.245 58.774 56.400 0.215 0.000 0.799 441 E CB -0.151 29.599 29.700 0.084 0.000 0.752 441 E HN 0.554 nan 8.360 nan 0.000 0.449 442 T N -4.177 110.263 114.554 -0.190 0.000 3.051 442 T HA 0.247 4.598 4.350 0.001 0.000 0.255 442 T C 1.617 176.202 174.700 -0.193 0.000 1.085 442 T CA 0.683 62.623 62.100 -0.266 0.000 1.109 442 T CB 0.104 68.651 68.868 -0.535 0.000 0.921 442 T HN 0.354 nan 8.240 nan 0.000 0.488 443 G N 1.535 110.267 108.800 -0.113 0.000 2.159 443 G HA2 -0.272 3.688 3.960 0.001 0.000 0.256 443 G HA3 -0.272 3.688 3.960 0.001 0.000 0.256 443 G C 0.005 174.908 174.900 0.006 0.000 0.977 443 G CA 0.251 45.338 45.100 -0.021 0.000 0.652 443 G HN 0.709 nan 8.290 nan 0.000 0.531 444 E N 1.685 121.846 120.200 -0.065 0.000 2.222 444 E HA 0.280 4.631 4.350 0.001 0.000 0.312 444 E C 2.012 178.657 176.600 0.075 0.000 1.263 444 E CA 0.497 56.895 56.400 -0.003 0.000 1.356 444 E CB -0.433 29.246 29.700 -0.035 0.000 1.180 444 E HN 0.509 nan 8.360 nan 0.000 0.494 445 T N -1.736 112.912 114.554 0.158 0.000 2.962 445 T HA -0.183 4.168 4.350 0.001 0.000 0.270 445 T C 1.826 176.667 174.700 0.235 0.000 1.088 445 T CA 1.200 63.466 62.100 0.277 0.000 1.127 445 T CB -0.149 68.938 68.868 0.365 0.000 0.883 445 T HN 0.276 nan 8.240 nan 0.000 0.493 446 S N 0.543 116.340 115.700 0.160 0.000 2.474 446 S HA -0.002 4.468 4.470 0.001 0.000 0.235 446 S C 1.579 176.268 174.600 0.147 0.000 0.997 446 S CA 0.083 58.366 58.200 0.139 0.000 0.949 446 S CB -1.023 62.239 63.200 0.103 0.000 0.766 446 S HN 0.433 nan 8.310 nan 0.000 0.517 447 F N 2.363 122.276 119.950 -0.060 0.000 2.161 447 F HA 0.018 4.545 4.527 0.001 0.000 0.300 447 F C 1.422 177.171 175.800 -0.085 0.000 1.089 447 F CA 0.450 58.383 58.000 -0.112 0.000 1.282 447 F CB -0.661 38.233 39.000 -0.177 0.000 1.010 447 F HN 0.175 nan 8.300 nan 0.000 0.485 448 F N 0.561 120.572 119.950 0.101 0.000 2.333 448 F HA -0.177 4.350 4.527 0.001 0.000 0.300 448 F C 2.203 177.987 175.800 -0.027 0.000 1.083 448 F CA 1.366 59.384 58.000 0.030 0.000 1.395 448 F CB -0.814 38.258 39.000 0.120 0.000 1.056 448 F HN 0.024 nan 8.300 nan 0.000 0.529 449 D N -0.553 119.917 120.400 0.116 0.000 2.350 449 D HA -0.053 4.587 4.640 0.001 0.000 0.213 449 D C 0.941 177.237 176.300 -0.007 0.000 1.031 449 D CA 0.150 54.184 54.000 0.056 0.000 0.861 449 D CB -0.199 40.630 40.800 0.048 0.000 0.926 449 D HN 0.327 nan 8.370 nan 0.000 0.520 450 Q N 0.907 120.652 119.800 -0.091 0.000 2.311 450 Q HA 0.039 4.379 4.340 0.001 0.000 0.272 450 Q C -0.275 175.652 176.000 -0.122 0.000 1.012 450 Q CA -0.056 55.676 55.803 -0.118 0.000 0.891 450 Q CB 0.564 29.185 28.738 -0.195 0.000 1.201 450 Q HN -0.141 nan 8.270 nan 0.000 0.391 451 M N 5.295 124.856 119.600 -0.065 0.000 2.120 451 M HA 0.351 4.831 4.480 0.001 0.000 0.354 451 M C -0.573 175.679 176.300 -0.079 0.000 1.287 451 M CA 0.107 55.378 55.300 -0.048 0.000 1.103 451 M CB 0.104 32.695 32.600 -0.014 0.000 1.623 451 M HN 0.537 nan 8.290 nan 0.000 0.471 452 I N 6.277 126.783 120.570 -0.107 0.000 2.498 452 I HA 0.387 4.557 4.170 0.001 0.000 0.290 452 I C -2.123 173.946 176.117 -0.080 0.000 1.032 452 I CA -1.963 59.247 61.300 -0.150 0.000 1.073 452 I CB 2.757 40.534 38.000 -0.372 0.000 1.251 452 I HN 0.370 nan 8.210 nan 0.000 0.426 453 P HA 0.086 nan 4.420 nan 0.000 0.275 453 P C -1.256 175.986 177.300 -0.097 0.000 1.228 453 P CA 0.025 63.092 63.100 -0.055 0.000 0.786 453 P CB 0.577 32.280 31.700 0.005 0.000 0.927 454 Y N 0.755 121.041 120.300 -0.023 0.000 2.301 454 Y HA 0.242 4.792 4.550 0.001 0.000 0.328 454 Y C 2.069 177.848 175.900 -0.201 0.000 1.242 454 Y CA 0.125 58.157 58.100 -0.114 0.000 1.323 454 Y CB 0.262 38.608 38.460 -0.191 0.000 1.266 454 Y HN 0.467 nan 8.280 nan 0.000 0.527 455 A N 0.993 123.709 122.820 -0.172 0.000 2.019 455 A HA -0.170 4.151 4.320 0.001 0.000 0.219 455 A C 1.257 178.795 177.584 -0.077 0.000 1.164 455 A CA 1.852 53.658 52.037 -0.385 0.000 0.644 455 A CB -0.586 18.053 19.000 -0.600 0.000 0.805 455 A HN 0.795 nan 8.150 nan 0.000 0.449 456 D N -1.656 118.705 120.400 -0.065 0.000 2.525 456 D HA 0.400 5.040 4.640 0.001 0.000 0.229 456 D C 0.588 176.882 176.300 -0.009 0.000 1.202 456 D CA 0.457 54.436 54.000 -0.036 0.000 0.828 456 D CB -0.639 40.102 40.800 -0.097 0.000 1.008 456 D HN 0.901 nan 8.370 nan 0.000 0.493 457 G N -0.917 107.903 108.800 0.034 0.000 2.697 457 G HA2 0.445 4.405 3.960 0.001 0.000 0.686 457 G HA3 0.445 4.405 3.960 0.001 0.000 0.686 457 G C 0.221 175.166 174.900 0.075 0.000 1.179 457 G CA -0.233 44.894 45.100 0.045 0.000 0.765 457 G HN 1.212 nan 8.290 nan 0.000 0.649 458 G N 0.295 109.143 108.800 0.080 0.000 2.757 458 G HA2 0.562 4.522 3.960 0.001 0.000 0.638 458 G HA3 0.562 4.522 3.960 0.001 0.000 0.638 458 G C -0.261 174.725 174.900 0.143 0.000 1.344 458 G CA 0.736 45.900 45.100 0.107 0.000 0.855 458 G HN 2.650 nan 8.290 nan 0.000 0.537 459 E N -1.325 118.951 120.200 0.125 0.000 2.445 459 E HA 0.862 5.213 4.350 0.001 0.000 0.279 459 E C -0.361 176.241 176.600 0.002 0.000 1.018 459 E CA -0.707 55.700 56.400 0.011 0.000 0.816 459 E CB 1.709 31.412 29.700 0.005 0.000 1.356 459 E HN 2.366 nan 8.360 nan 0.000 0.462 460 A N 0.596 123.357 122.820 -0.099 0.000 2.586 460 A HA 0.615 4.935 4.320 0.001 0.000 0.291 460 A C -0.644 176.983 177.584 0.071 0.000 1.062 460 A CA -0.375 51.652 52.037 -0.016 0.000 0.666 460 A CB 1.129 20.107 19.000 -0.037 0.000 1.281 460 A HN 0.960 nan 8.150 nan 0.000 0.421 461 S N -0.063 115.700 115.700 0.106 0.000 2.589 461 S HA 0.354 4.824 4.470 0.001 0.000 0.265 461 S C 1.208 175.903 174.600 0.159 0.000 1.342 461 S CA 0.109 58.370 58.200 0.102 0.000 1.005 461 S CB 0.774 64.055 63.200 0.135 0.000 0.909 461 S HN 1.375 nan 8.310 nan 0.000 0.555 462 V N 1.228 121.143 119.914 0.002 0.000 2.332 462 V HA -0.183 3.938 4.120 0.001 0.000 0.248 462 V C 2.013 178.250 176.094 0.239 0.000 1.055 462 V CA 2.307 64.575 62.300 -0.053 0.000 1.038 462 V CB -1.459 30.142 31.823 -0.371 0.000 0.651 462 V HN 0.927 nan 8.190 nan 0.000 0.450 463 Y N 1.203 121.628 120.300 0.207 0.000 2.128 463 Y HA -0.226 4.325 4.550 0.001 0.000 0.284 463 Y C 2.635 178.661 175.900 0.210 0.000 1.154 463 Y CA 2.022 60.270 58.100 0.247 0.000 1.149 463 Y CB -0.093 38.466 38.460 0.165 0.000 0.976 463 Y HN 0.239 nan 8.280 nan 0.000 0.505 464 E N -0.893 119.445 120.200 0.231 0.000 2.150 464 E HA -0.197 4.154 4.350 0.001 0.000 0.193 464 E C 2.206 178.853 176.600 0.077 0.000 0.985 464 E CA 1.134 57.601 56.400 0.111 0.000 0.814 464 E CB -0.539 29.251 29.700 0.150 0.000 0.752 464 E HN 0.681 nan 8.360 nan 0.000 0.466 465 H N 0.075 119.163 119.070 0.030 0.000 2.352 465 H HA -0.044 4.513 4.556 0.001 0.000 0.299 465 H C 2.210 177.543 175.328 0.009 0.000 1.097 465 H CA 1.406 57.482 56.048 0.046 0.000 1.311 465 H CB 0.063 29.793 29.762 -0.054 0.000 1.377 465 H HN 0.168 nan 8.280 nan 0.000 0.504 466 M N 0.422 120.072 119.600 0.084 0.000 2.086 466 M HA -0.165 4.316 4.480 0.001 0.000 0.261 466 M C 2.292 178.377 176.300 -0.358 0.000 1.067 466 M CA 1.566 56.816 55.300 -0.083 0.000 1.116 466 M CB -0.131 32.453 32.600 -0.027 0.000 1.348 466 M HN 0.083 nan 8.290 nan 0.000 0.407 467 K N 0.379 120.504 120.400 -0.458 0.000 2.147 467 K HA -0.052 4.268 4.320 0.001 0.000 0.205 467 K C 2.086 178.579 176.600 -0.177 0.000 1.049 467 K CA 1.283 57.272 56.287 -0.496 0.000 0.936 467 K CB -0.265 32.054 32.500 -0.300 0.000 0.722 467 K HN 0.301 nan 8.250 nan 0.000 0.446 468 A N 1.487 124.253 122.820 -0.090 0.000 1.930 468 A HA -0.091 4.229 4.320 0.001 0.000 0.217 468 A C 2.342 179.904 177.584 -0.036 0.000 1.175 468 A CA 1.742 53.750 52.037 -0.048 0.000 0.627 468 A CB -0.550 18.410 19.000 -0.066 0.000 0.815 468 A HN 0.321 nan 8.150 nan 0.000 0.443 469 A N -0.155 122.644 122.820 -0.035 0.000 1.873 469 A HA 0.030 4.350 4.320 0.001 0.000 0.215 469 A C 2.142 179.804 177.584 0.131 0.000 1.186 469 A CA 1.354 53.417 52.037 0.042 0.000 0.616 469 A CB -0.595 18.505 19.000 0.166 0.000 0.823 469 A HN 0.450 nan 8.150 nan 0.000 0.442 470 L N -0.331 120.899 121.223 0.011 0.000 2.046 470 L HA -0.195 4.146 4.340 0.001 0.000 0.208 470 L C 1.964 178.969 176.870 0.224 0.000 1.077 470 L CA 1.439 56.335 54.840 0.093 0.000 0.747 470 L CB -0.690 41.254 42.059 -0.192 0.000 0.896 470 L HN 0.303 nan 8.230 nan 0.000 0.432 471 D N -0.360 120.139 120.400 0.166 0.000 2.144 471 D HA -0.193 4.448 4.640 0.001 0.000 0.200 471 D C 1.897 178.286 176.300 0.149 0.000 0.978 471 D CA 1.002 55.106 54.000 0.173 0.000 0.833 471 D CB -0.211 40.662 40.800 0.122 0.000 0.961 471 D HN 0.211 nan 8.370 nan 0.000 0.470 472 F N 1.790 121.740 119.950 0.000 0.000 2.095 472 F HA -0.221 4.306 4.527 0.001 0.000 0.298 472 F C 2.314 178.163 175.800 0.083 0.000 1.104 472 F CA 1.349 59.354 58.000 0.008 0.000 1.232 472 F CB -0.074 38.795 39.000 -0.218 0.000 0.987 472 F HN -0.176 nan 8.300 nan 0.000 0.475 473 S N 0.150 115.931 115.700 0.135 0.000 2.423 473 S HA -0.055 4.416 4.470 0.001 0.000 0.231 473 S C 2.170 176.706 174.600 -0.107 0.000 1.014 473 S CA 0.748 58.886 58.200 -0.104 0.000 0.965 473 S CB -0.576 62.290 63.200 -0.556 0.000 0.785 473 S HN 0.526 nan 8.310 nan 0.000 0.495 474 A N 1.203 124.059 122.820 0.059 0.000 1.968 474 A HA -0.051 4.270 4.320 0.001 0.000 0.217 474 A C 2.008 179.610 177.584 0.031 0.000 1.169 474 A CA 1.238 53.388 52.037 0.188 0.000 0.638 474 A CB -0.323 18.817 19.000 0.233 0.000 0.812 474 A HN 0.557 nan 8.150 nan 0.000 0.446 475 E N -1.300 118.872 120.200 -0.047 0.000 2.051 475 E HA -0.098 4.252 4.350 0.001 0.000 0.189 475 E C -0.262 176.153 176.600 -0.309 0.000 0.979 475 E CA 0.340 56.636 56.400 -0.172 0.000 0.803 475 E CB -0.069 29.511 29.700 -0.200 0.000 0.761 475 E HN 0.614 nan 8.360 nan 0.000 0.451 476 Y N 1.727 121.807 120.300 -0.366 0.000 2.623 476 Y HA 0.151 4.701 4.550 0.001 0.000 0.341 476 Y C -0.000 175.798 175.900 -0.169 0.000 1.292 476 Y CA -0.502 57.408 58.100 -0.316 0.000 1.840 476 Y CB 0.128 38.297 38.460 -0.486 0.000 1.865 476 Y HN -0.071 nan 8.280 nan 0.000 0.440 477 V N -1.680 118.186 119.914 -0.080 0.000 3.141 477 V HA 1.011 5.132 4.120 0.001 0.000 0.312 477 V C 0.403 176.454 176.094 -0.070 0.000 1.157 477 V CA -1.014 61.262 62.300 -0.041 0.000 1.041 477 V CB 1.384 33.198 31.823 -0.015 0.000 1.071 477 V HN 0.424 nan 8.190 nan 0.000 0.441 478 G N 0.175 108.939 108.800 -0.060 0.000 2.525 478 G HA2 0.411 4.371 3.960 0.001 0.000 0.287 478 G HA3 0.411 4.371 3.960 0.001 0.000 0.287 478 G C 0.426 175.277 174.900 -0.082 0.000 1.350 478 G CA 0.068 45.123 45.100 -0.075 0.000 1.039 478 G HN 1.115 nan 8.290 nan 0.000 0.513 479 Q N -1.836 117.912 119.800 -0.087 0.000 2.437 479 Q HA -0.066 4.274 4.340 0.001 0.000 0.210 479 Q C 1.598 177.539 176.000 -0.098 0.000 0.972 479 Q CA 1.721 57.476 55.803 -0.081 0.000 0.903 479 Q CB -0.323 28.373 28.738 -0.070 0.000 0.967 479 Q HN 0.485 nan 8.270 nan 0.000 0.486 480 T N -4.185 110.273 114.554 -0.160 0.000 3.086 480 T HA 0.428 4.778 4.350 0.001 0.000 0.250 480 T C 1.220 175.850 174.700 -0.117 0.000 1.074 480 T CA 0.153 62.096 62.100 -0.262 0.000 0.988 480 T CB 0.712 69.151 68.868 -0.715 0.000 0.988 480 T HN 0.546 nan 8.240 nan 0.000 0.530 481 G N 1.544 110.306 108.800 -0.063 0.000 2.130 481 G HA2 -0.137 3.823 3.960 0.001 0.000 0.216 481 G HA3 -0.137 3.823 3.960 0.001 0.000 0.216 481 G C -0.184 174.722 174.900 0.009 0.000 0.999 481 G CA -0.235 44.863 45.100 -0.002 0.000 0.686 481 G HN 0.515 nan 8.290 nan 0.000 0.515 482 I N 0.767 121.320 120.570 -0.028 0.000 2.437 482 I HA 0.360 4.530 4.170 0.001 0.000 0.298 482 I C 1.311 177.418 176.117 -0.018 0.000 0.984 482 I CA -1.239 60.044 61.300 -0.027 0.000 1.214 482 I CB 1.013 38.979 38.000 -0.056 0.000 1.365 482 I HN 0.109 nan 8.210 nan 0.000 0.469 483 C N 5.543 124.841 119.300 -0.003 0.000 2.642 483 C HA 0.064 4.525 4.460 0.001 0.000 0.420 483 C C 1.174 176.166 174.990 0.004 0.000 1.349 483 C CA -0.538 58.487 59.018 0.013 0.000 1.821 483 C CB -0.820 26.931 27.740 0.020 0.000 2.637 483 C HN 0.632 nan 8.230 nan 0.000 0.605 484 K N 1.742 122.158 120.400 0.028 0.000 2.295 484 K HA 0.510 4.831 4.320 0.001 0.000 0.270 484 K C 0.356 176.975 176.600 0.032 0.000 1.011 484 K CA 0.359 56.664 56.287 0.029 0.000 0.953 484 K CB 0.668 33.205 32.500 0.062 0.000 0.956 484 K HN 1.041 nan 8.250 nan 0.000 0.477 485 G N 1.833 110.641 108.800 0.013 0.000 2.026 485 G HA2 0.293 4.253 3.960 0.001 0.000 0.208 485 G HA3 0.293 4.253 3.960 0.001 0.000 0.208 485 G C -1.955 172.945 174.900 -0.001 0.000 1.640 485 G CA -0.907 44.200 45.100 0.012 0.000 0.946 485 G HN 0.485 nan 8.290 nan 0.000 0.709 486 L N 1.630 122.847 121.223 -0.010 0.000 2.549 486 L HA 0.716 5.056 4.340 0.001 0.000 0.259 486 L C -0.170 176.687 176.870 -0.022 0.000 0.934 486 L CA -1.018 53.812 54.840 -0.018 0.000 0.865 486 L CB 1.896 43.938 42.059 -0.029 0.000 1.352 486 L HN 0.642 nan 8.230 nan 0.000 0.410 487 R N 3.156 123.649 120.500 -0.012 0.000 2.248 487 R HA 0.451 4.792 4.340 0.001 0.000 0.337 487 R C 0.501 176.800 176.300 -0.000 0.000 1.085 487 R CA 0.820 56.917 56.100 -0.004 0.000 0.934 487 R CB 1.238 31.555 30.300 0.029 0.000 1.034 487 R HN 0.841 nan 8.270 nan 0.000 0.465 488 A N 3.818 126.616 122.820 -0.037 0.000 1.901 488 A HA -0.006 4.315 4.320 0.001 0.000 0.210 488 A C 0.334 177.873 177.584 -0.075 0.000 1.208 488 A CA 0.773 52.782 52.037 -0.045 0.000 0.644 488 A CB -0.030 18.924 19.000 -0.078 0.000 0.863 488 A HN 0.812 nan 8.150 nan 0.000 0.454 489 D N -1.975 118.305 120.400 -0.200 0.000 2.529 489 D HA 0.217 4.857 4.640 0.001 0.000 0.273 489 D C 0.722 176.629 176.300 -0.657 0.000 1.197 489 D CA -0.546 53.167 54.000 -0.479 0.000 1.070 489 D CB -0.439 40.058 40.800 -0.505 0.000 1.134 489 D HN 0.452 nan 8.370 nan 0.000 0.590 490 W N -0.914 119.756 121.300 -1.050 0.000 2.825 490 W HA 0.180 4.840 4.660 0.001 0.000 0.243 490 W C -0.588 175.720 176.519 -0.352 0.000 1.293 490 W CA -0.839 55.852 57.345 -1.090 0.000 1.403 490 W CB -1.909 27.008 29.460 -0.905 0.000 1.134 490 W HN -0.020 nan 8.180 nan 0.000 0.666 491 N N 2.637 121.444 118.700 0.179 0.000 2.458 491 N HA 0.043 4.784 4.740 0.001 0.000 0.270 491 N C -0.176 175.390 175.510 0.094 0.000 1.102 491 N CA 0.018 53.170 53.050 0.169 0.000 0.967 491 N CB 0.534 39.104 38.487 0.137 0.000 1.078 491 N HN 0.029 nan 8.380 nan 0.000 0.471 492 D N 1.031 121.517 120.400 0.143 0.000 2.662 492 D HA -0.007 4.633 4.640 0.001 0.000 0.228 492 D C -0.663 175.706 176.300 0.114 0.000 1.090 492 D CA -0.339 53.735 54.000 0.123 0.000 1.118 492 D CB -0.562 40.325 40.800 0.145 0.000 1.129 492 D HN 0.184 nan 8.370 nan 0.000 0.472 493 c N 2.707 121.312 118.600 0.010 0.000 2.431 493 c HA 0.454 5.024 4.570 0.001 0.000 0.321 493 c C -0.148 173.908 174.090 -0.057 0.000 1.202 493 c CA -1.002 55.269 56.329 -0.097 0.000 1.398 493 c CB 0.156 42.474 42.510 -0.321 0.000 2.047 493 c HN 0.593 nan 8.230 nan 0.000 0.465 494 L N 7.271 128.485 121.223 -0.015 0.000 2.395 494 L HA 0.247 4.588 4.340 0.001 0.000 0.268 494 L C 0.417 177.265 176.870 -0.036 0.000 1.223 494 L CA 0.031 54.870 54.840 -0.001 0.000 1.093 494 L CB -0.590 41.498 42.059 0.048 0.000 1.349 494 L HN 0.704 nan 8.230 nan 0.000 0.427 495 N N 2.818 121.479 118.700 -0.065 0.000 2.344 495 N HA 0.038 4.778 4.740 0.001 0.000 0.236 495 N C 0.641 176.123 175.510 -0.046 0.000 1.279 495 N CA 0.083 53.084 53.050 -0.083 0.000 0.882 495 N CB 1.287 39.719 38.487 -0.091 0.000 1.110 495 N HN 0.492 nan 8.380 nan 0.000 0.436 496 L N 0.254 121.449 121.223 -0.046 0.000 2.741 496 L HA 0.235 4.575 4.340 0.001 0.000 0.237 496 L C 1.682 178.559 176.870 0.011 0.000 1.178 496 L CA -0.129 54.715 54.840 0.007 0.000 0.973 496 L CB 0.126 42.202 42.059 0.028 0.000 1.255 496 L HN 0.609 nan 8.230 nan 0.000 0.498 497 G N 0.126 108.913 108.800 -0.021 0.000 3.279 497 G HA2 0.395 4.356 3.960 0.001 0.000 0.230 497 G HA3 0.395 4.356 3.960 0.001 0.000 0.230 497 G C 0.668 175.553 174.900 -0.023 0.000 1.230 497 G CA 0.497 45.583 45.100 -0.024 0.000 0.891 497 G HN 0.411 nan 8.290 nan 0.000 0.518 498 G N -1.602 107.188 108.800 -0.017 0.000 3.101 498 G HA2 0.563 4.524 3.960 0.001 0.000 0.672 498 G HA3 0.563 4.524 3.960 0.001 0.000 0.672 498 G C -0.062 174.823 174.900 -0.025 0.000 1.331 498 G CA -0.134 44.953 45.100 -0.023 0.000 0.925 498 G HN 2.020 nan 8.290 nan 0.000 0.596 499 G N 0.766 109.551 108.800 -0.025 0.000 2.841 499 G HA2 0.474 4.435 3.960 0.001 0.000 0.684 499 G HA3 0.474 4.435 3.960 0.001 0.000 0.684 499 G C -0.670 174.216 174.900 -0.023 0.000 1.273 499 G CA -0.080 45.003 45.100 -0.027 0.000 0.811 499 G HN 1.009 nan 8.290 nan 0.000 0.631 500 E N 0.180 120.363 120.200 -0.028 0.000 2.195 500 E HA 0.640 4.991 4.350 0.001 0.000 0.271 500 E C -0.285 176.294 176.600 -0.035 0.000 0.923 500 E CA -0.838 55.543 56.400 -0.031 0.000 0.790 500 E CB 2.177 31.853 29.700 -0.041 0.000 1.155 500 E HN 0.491 nan 8.360 nan 0.000 0.402 501 S N 1.235 116.912 115.700 -0.039 0.000 2.498 501 S HA 0.193 4.664 4.470 0.001 0.000 0.317 501 S C 0.631 175.166 174.600 -0.108 0.000 1.090 501 S CA -0.551 57.621 58.200 -0.045 0.000 1.089 501 S CB 1.284 64.478 63.200 -0.010 0.000 0.997 501 S HN 0.484 nan 8.310 nan 0.000 0.470 502 S N 5.028 120.646 115.700 -0.136 0.000 2.356 502 S HA -0.153 4.318 4.470 0.001 0.000 0.223 502 S C 1.937 176.276 174.600 -0.435 0.000 1.032 502 S CA 1.649 59.631 58.200 -0.363 0.000 1.005 502 S CB -0.490 62.609 63.200 -0.169 0.000 0.867 502 S HN 0.895 nan 8.310 nan 0.000 0.449 503 M N 1.585 121.153 119.600 -0.054 0.000 2.106 503 M HA -0.135 4.346 4.480 0.001 0.000 0.259 503 M C 1.780 178.096 176.300 0.027 0.000 1.068 503 M CA 1.645 57.010 55.300 0.109 0.000 1.100 503 M CB -0.352 32.366 32.600 0.196 0.000 1.351 503 M HN 0.152 nan 8.290 nan 0.000 0.404 504 V N -0.140 119.762 119.914 -0.019 0.000 2.427 504 V HA -0.203 3.917 4.120 0.001 0.000 0.248 504 V C 2.412 178.496 176.094 -0.015 0.000 1.051 504 V CA 2.010 64.295 62.300 -0.026 0.000 1.048 504 V CB -0.809 31.009 31.823 -0.008 0.000 0.666 504 V HN 0.552 nan 8.190 nan 0.000 0.456 505 S N -0.271 115.374 115.700 -0.091 0.000 2.368 505 S HA -0.106 4.364 4.470 0.001 0.000 0.224 505 S C 1.773 176.409 174.600 0.060 0.000 1.029 505 S CA 1.450 59.624 58.200 -0.043 0.000 0.988 505 S CB -0.345 62.732 63.200 -0.204 0.000 0.838 505 S HN 0.521 nan 8.310 nan 0.000 0.462 506 F N 1.275 121.257 119.950 0.054 0.000 2.146 506 F HA 0.019 4.547 4.527 0.001 0.000 0.298 506 F C 2.027 177.889 175.800 0.103 0.000 1.096 506 F CA 0.120 58.142 58.000 0.036 0.000 1.275 506 F CB -1.136 37.818 39.000 -0.077 0.000 1.008 506 F HN 0.179 nan 8.300 nan 0.000 0.480 507 L N -0.327 121.002 121.223 0.177 0.000 2.046 507 L HA -0.217 4.123 4.340 0.001 0.000 0.208 507 L C 2.478 179.441 176.870 0.156 0.000 1.077 507 L CA 1.977 56.833 54.840 0.028 0.000 0.747 507 L CB -1.154 40.702 42.059 -0.338 0.000 0.896 507 L HN 0.309 nan 8.230 nan 0.000 0.432 508 H N -1.932 117.170 119.070 0.053 0.000 2.353 508 H HA -0.257 4.300 4.556 0.001 0.000 0.300 508 H C 2.103 177.525 175.328 0.157 0.000 1.090 508 H CA 1.712 57.804 56.048 0.073 0.000 1.327 508 H CB -0.098 29.718 29.762 0.091 0.000 1.383 508 H HN 0.452 nan 8.280 nan 0.000 0.508 509 F N 0.254 120.283 119.950 0.131 0.000 2.134 509 F HA -0.234 4.293 4.527 0.001 0.000 0.299 509 F C 2.294 178.205 175.800 0.186 0.000 1.097 509 F CA 1.653 59.709 58.000 0.093 0.000 1.264 509 F CB -0.499 38.593 39.000 0.154 0.000 1.001 509 F HN 0.292 nan 8.300 nan 0.000 0.479 510 W N 1.197 122.585 121.300 0.147 0.000 2.355 510 W HA -0.141 4.520 4.660 0.001 0.000 0.309 510 W C 2.365 178.892 176.519 0.014 0.000 1.206 510 W CA 2.423 59.810 57.345 0.070 0.000 1.284 510 W CB -1.120 28.385 29.460 0.075 0.000 1.145 510 W HN 0.069 nan 8.180 nan 0.000 0.502 511 A N 0.168 122.950 122.820 -0.063 0.000 1.933 511 A HA -0.167 4.154 4.320 0.001 0.000 0.218 511 A C 2.204 179.722 177.584 -0.111 0.000 1.175 511 A CA 1.829 53.749 52.037 -0.195 0.000 0.628 511 A CB -1.015 17.940 19.000 -0.075 0.000 0.814 511 A HN 0.380 nan 8.150 nan 0.000 0.444 512 L N -0.914 120.245 121.223 -0.106 0.000 2.056 512 L HA -0.203 4.137 4.340 0.001 0.000 0.207 512 L C 2.896 179.700 176.870 -0.109 0.000 1.078 512 L CA 1.104 55.874 54.840 -0.116 0.000 0.749 512 L CB -0.488 41.434 42.059 -0.228 0.000 0.901 512 L HN 0.362 nan 8.230 nan 0.000 0.433 513 Q N -0.082 119.581 119.800 -0.229 0.000 2.084 513 Q HA -0.199 4.141 4.340 0.001 0.000 0.202 513 Q C 2.144 178.132 176.000 -0.020 0.000 0.978 513 Q CA 1.299 57.015 55.803 -0.145 0.000 0.844 513 Q CB -0.240 28.430 28.738 -0.112 0.000 0.898 513 Q HN 0.475 nan 8.270 nan 0.000 0.426 514 E N -0.105 120.064 120.200 -0.052 0.000 2.051 514 E HA -0.135 4.216 4.350 0.001 0.000 0.192 514 E C 1.812 178.462 176.600 0.083 0.000 0.991 514 E CA 0.601 56.998 56.400 -0.005 0.000 0.799 514 E CB -0.375 29.235 29.700 -0.152 0.000 0.748 514 E HN 0.281 nan 8.360 nan 0.000 0.449 515 F N 1.329 121.226 119.950 -0.088 0.000 2.186 515 F HA -0.103 4.424 4.527 0.001 0.000 0.299 515 F C 2.208 177.977 175.800 -0.051 0.000 1.090 515 F CA 0.862 58.798 58.000 -0.106 0.000 1.307 515 F CB -0.149 38.691 39.000 -0.265 0.000 1.019 515 F HN -0.087 nan 8.300 nan 0.000 0.489 516 I N 0.000 120.594 120.570 0.039 0.000 2.179 516 I HA -0.321 3.849 4.170 0.001 0.000 0.242 516 I C 2.013 178.114 176.117 -0.028 0.000 1.088 516 I CA 1.548 62.859 61.300 0.017 0.000 1.357 516 I CB -0.592 37.445 38.000 0.062 0.000 1.051 516 I HN 0.069 nan 8.210 nan 0.000 0.409 517 D N 0.691 121.109 120.400 0.029 0.000 2.144 517 D HA -0.178 4.462 4.640 0.001 0.000 0.199 517 D C 2.013 178.348 176.300 0.057 0.000 0.984 517 D CA 1.154 55.212 54.000 0.096 0.000 0.834 517 D CB -0.267 40.645 40.800 0.187 0.000 0.955 517 D HN 0.199 nan 8.370 nan 0.000 0.465 518 L N 1.210 122.400 121.223 -0.054 0.000 1.976 518 L HA -0.079 4.261 4.340 0.001 0.000 0.209 518 L C 2.201 178.848 176.870 -0.371 0.000 1.071 518 L CA 2.092 56.739 54.840 -0.322 0.000 0.746 518 L CB -0.973 40.846 42.059 -0.399 0.000 0.890 518 L HN -0.024 nan 8.230 nan 0.000 0.432 519 A N -0.643 121.909 122.820 -0.447 0.000 1.940 519 A HA -0.298 4.023 4.320 0.001 0.000 0.219 519 A C 2.465 179.944 177.584 -0.175 0.000 1.176 519 A CA 2.153 54.001 52.037 -0.316 0.000 0.631 519 A CB -0.700 18.149 19.000 -0.251 0.000 0.814 519 A HN 0.561 nan 8.150 nan 0.000 0.446 520 K N -1.604 118.736 120.400 -0.100 0.000 2.057 520 K HA -0.141 4.180 4.320 0.001 0.000 0.206 520 K C 1.767 178.351 176.600 -0.026 0.000 1.050 520 K CA 1.588 57.856 56.287 -0.031 0.000 0.935 520 K CB -0.319 32.198 32.500 0.027 0.000 0.715 520 K HN 0.422 nan 8.250 nan 0.000 0.439 521 F N 1.355 121.190 119.950 -0.192 0.000 2.186 521 F HA -0.065 4.462 4.527 0.001 0.000 0.299 521 F C 1.330 176.990 175.800 -0.233 0.000 1.090 521 F CA 1.230 59.103 58.000 -0.212 0.000 1.307 521 F CB 0.012 38.778 39.000 -0.390 0.000 1.019 521 F HN -0.041 nan 8.300 nan 0.000 0.489 522 L N -0.130 120.810 121.223 -0.472 0.000 2.591 522 L HA 0.233 4.574 4.340 0.001 0.000 0.228 522 L C 1.648 178.298 176.870 -0.366 0.000 1.133 522 L CA 0.581 55.099 54.840 -0.537 0.000 0.880 522 L CB -1.005 40.752 42.059 -0.502 0.000 1.033 522 L HN 0.392 nan 8.230 nan 0.000 0.450 523 G N 0.698 109.340 108.800 -0.264 0.000 2.176 523 G HA2 -0.290 3.670 3.960 0.001 0.000 0.252 523 G HA3 -0.290 3.670 3.960 0.001 0.000 0.252 523 G C 0.162 174.982 174.900 -0.133 0.000 1.024 523 G CA 0.005 45.002 45.100 -0.172 0.000 0.755 523 G HN 0.200 nan 8.290 nan 0.000 0.507 524 K N 1.402 121.722 120.400 -0.134 0.000 2.333 524 K HA 0.315 4.636 4.320 0.001 0.000 0.241 524 K C 1.350 177.950 176.600 -0.001 0.000 1.193 524 K CA -0.218 56.029 56.287 -0.066 0.000 1.142 524 K CB 0.224 32.694 32.500 -0.050 0.000 1.731 524 K HN 0.293 nan 8.250 nan 0.000 0.344 525 D N 0.550 120.945 120.400 -0.009 0.000 2.149 525 D HA -0.252 4.388 4.640 0.001 0.000 0.194 525 D C 1.533 177.855 176.300 0.038 0.000 1.001 525 D CA 1.299 55.306 54.000 0.011 0.000 0.849 525 D CB 0.313 41.113 40.800 0.000 0.000 0.939 525 D HN 0.360 nan 8.370 nan 0.000 0.449 526 Q N 1.007 120.834 119.800 0.045 0.000 2.061 526 Q HA -0.150 4.190 4.340 0.001 0.000 0.204 526 Q C 1.438 177.493 176.000 0.091 0.000 0.984 526 Q CA 1.620 57.456 55.803 0.055 0.000 0.846 526 Q CB -0.194 28.577 28.738 0.055 0.000 0.902 526 Q HN 0.168 nan 8.270 nan 0.000 0.421 527 D N -1.014 119.490 120.400 0.174 0.000 2.178 527 D HA -0.094 4.546 4.640 0.001 0.000 0.202 527 D C 1.876 178.375 176.300 0.330 0.000 0.974 527 D CA 0.972 55.174 54.000 0.338 0.000 0.841 527 D CB -0.017 41.107 40.800 0.539 0.000 0.953 527 D HN 0.157 nan 8.370 nan 0.000 0.478 528 V N 1.924 121.948 119.914 0.183 0.000 2.295 528 V HA -0.237 3.884 4.120 0.001 0.000 0.246 528 V C 2.109 178.271 176.094 0.114 0.000 1.049 528 V CA 1.466 63.848 62.300 0.138 0.000 1.024 528 V CB -0.398 31.463 31.823 0.064 0.000 0.648 528 V HN 0.186 nan 8.190 nan 0.000 0.447 529 N N -0.076 118.665 118.700 0.068 0.000 2.106 529 N HA -0.127 4.613 4.740 0.001 0.000 0.188 529 N C 1.928 177.434 175.510 -0.007 0.000 1.029 529 N CA 1.942 55.010 53.050 0.031 0.000 0.848 529 N CB -0.667 37.830 38.487 0.015 0.000 1.007 529 N HN 0.439 nan 8.380 nan 0.000 0.423 530 T N 0.757 115.274 114.554 -0.062 0.000 2.652 530 T HA -0.133 4.218 4.350 0.001 0.000 0.267 530 T C 1.636 176.141 174.700 -0.324 0.000 1.039 530 T CA 1.283 63.238 62.100 -0.242 0.000 1.153 530 T CB -0.419 68.192 68.868 -0.428 0.000 0.863 530 T HN 0.271 nan 8.240 nan 0.000 0.428 531 Y N 1.131 121.481 120.300 0.083 0.000 2.457 531 Y HA 0.046 4.596 4.550 0.001 0.000 0.292 531 Y C 2.863 178.783 175.900 0.033 0.000 1.125 531 Y CA 0.399 58.541 58.100 0.070 0.000 1.254 531 Y CB -0.852 37.708 38.460 0.165 0.000 1.012 531 Y HN 0.159 nan 8.280 nan 0.000 0.555 532 T N -0.430 114.200 114.554 0.127 0.000 2.812 532 T HA -0.182 4.168 4.350 0.001 0.000 0.264 532 T C 1.819 176.555 174.700 0.061 0.000 1.042 532 T CA 1.479 63.628 62.100 0.083 0.000 1.140 532 T CB -0.093 68.818 68.868 0.071 0.000 0.870 532 T HN 0.457 nan 8.240 nan 0.000 0.445 533 E N 0.666 120.885 120.200 0.032 0.000 2.072 533 E HA -0.125 4.226 4.350 0.001 0.000 0.191 533 E C 2.242 178.860 176.600 0.029 0.000 0.985 533 E CA 0.886 57.299 56.400 0.022 0.000 0.801 533 E CB -0.190 29.504 29.700 -0.010 0.000 0.750 533 E HN 0.434 nan 8.360 nan 0.000 0.452 534 M N 0.306 119.912 119.600 0.011 0.000 2.086 534 M HA -0.157 4.323 4.480 0.001 0.000 0.261 534 M C 2.257 178.584 176.300 0.046 0.000 1.067 534 M CA 1.831 57.145 55.300 0.024 0.000 1.116 534 M CB -0.112 32.507 32.600 0.032 0.000 1.348 534 M HN 0.236 nan 8.290 nan 0.000 0.407 535 A N 0.220 123.069 122.820 0.049 0.000 1.902 535 A HA -0.068 4.253 4.320 0.001 0.000 0.217 535 A C 2.294 180.045 177.584 0.278 0.000 1.181 535 A CA 1.874 53.965 52.037 0.090 0.000 0.623 535 A CB -1.175 17.764 19.000 -0.101 0.000 0.818 535 A HN 0.654 nan 8.150 nan 0.000 0.443 536 A N 0.432 123.363 122.820 0.185 0.000 1.908 536 A HA -0.232 4.089 4.320 0.001 0.000 0.218 536 A C 1.933 179.603 177.584 0.143 0.000 1.181 536 A CA 1.858 53.999 52.037 0.174 0.000 0.627 536 A CB -0.658 18.408 19.000 0.109 0.000 0.818 536 A HN 0.571 nan 8.150 nan 0.000 0.445 537 N N 0.031 118.799 118.700 0.113 0.000 2.188 537 N HA -0.100 4.640 4.740 0.001 0.000 0.184 537 N C 1.724 177.302 175.510 0.113 0.000 1.018 537 N CA 1.516 54.623 53.050 0.094 0.000 0.858 537 N CB -0.465 38.065 38.487 0.071 0.000 0.989 537 N HN 0.290 nan 8.380 nan 0.000 0.426 538 V N 1.451 121.454 119.914 0.148 0.000 2.307 538 V HA -0.176 3.944 4.120 0.001 0.000 0.245 538 V C 2.576 178.743 176.094 0.121 0.000 1.045 538 V CA 1.426 63.822 62.300 0.160 0.000 1.024 538 V CB -0.432 31.528 31.823 0.228 0.000 0.651 538 V HN 0.262 nan 8.190 nan 0.000 0.449 539 R N 0.090 120.658 120.500 0.114 0.000 2.073 539 R HA -0.235 4.106 4.340 0.001 0.000 0.234 539 R C 2.409 178.720 176.300 0.018 0.000 1.134 539 R CA 2.165 58.230 56.100 -0.058 0.000 0.952 539 R CB -0.301 29.955 30.300 -0.074 0.000 0.850 539 R HN 0.680 nan 8.270 nan 0.000 0.433 540 E N -0.295 119.940 120.200 0.059 0.000 2.077 540 E HA -0.210 4.141 4.350 0.001 0.000 0.193 540 E C 1.750 178.397 176.600 0.079 0.000 0.989 540 E CA 1.298 57.732 56.400 0.056 0.000 0.800 540 E CB -0.129 29.607 29.700 0.059 0.000 0.746 540 E HN 0.483 nan 8.360 nan 0.000 0.452 541 A N 0.359 123.248 122.820 0.115 0.000 1.898 541 A HA -0.176 4.145 4.320 0.001 0.000 0.216 541 A C 2.464 180.173 177.584 0.208 0.000 1.181 541 A CA 1.389 53.543 52.037 0.195 0.000 0.620 541 A CB -0.826 18.268 19.000 0.158 0.000 0.819 541 A HN 0.530 nan 8.150 nan 0.000 0.442 542 C N -0.674 118.710 119.300 0.140 0.000 2.446 542 C HA -0.025 4.436 4.460 0.001 0.000 0.277 542 C C 2.628 177.781 174.990 0.272 0.000 1.275 542 C CA 0.949 60.069 59.018 0.171 0.000 1.727 542 C CB -0.962 26.863 27.740 0.142 0.000 2.010 542 C HN 0.581 nan 8.230 nan 0.000 0.486 543 E N 0.498 120.814 120.200 0.193 0.000 2.204 543 E HA -0.120 4.231 4.350 0.001 0.000 0.194 543 E C 2.148 178.817 176.600 0.114 0.000 0.989 543 E CA 1.296 57.804 56.400 0.180 0.000 0.824 543 E CB -0.464 29.271 29.700 0.059 0.000 0.756 543 E HN 0.613 nan 8.360 nan 0.000 0.477 544 T N 0.025 114.599 114.554 0.032 0.000 2.894 544 T HA -0.032 4.318 4.350 0.001 0.000 0.258 544 T C 1.471 176.035 174.700 -0.226 0.000 1.043 544 T CA 0.773 62.784 62.100 -0.148 0.000 1.141 544 T CB -0.006 68.670 68.868 -0.319 0.000 0.873 544 T HN 0.257 nan 8.240 nan 0.000 0.449 545 H N -0.093 119.053 119.070 0.128 0.000 2.639 545 H HA 0.350 4.906 4.556 0.001 0.000 0.267 545 H C 1.668 177.088 175.328 0.153 0.000 0.958 545 H CA 0.426 56.542 56.048 0.114 0.000 1.221 545 H CB 0.442 30.248 29.762 0.072 0.000 1.446 545 H HN 0.273 nan 8.280 nan 0.000 0.512 546 L N -0.432 120.996 121.223 0.341 0.000 2.585 546 L HA 0.112 4.452 4.340 0.001 0.000 0.226 546 L C 0.703 177.855 176.870 0.470 0.000 1.113 546 L CA -0.089 54.987 54.840 0.393 0.000 0.876 546 L CB 0.462 42.779 42.059 0.430 0.000 1.072 546 L HN 0.220 nan 8.230 nan 0.000 0.468 547 W N 2.622 124.008 121.300 0.144 0.000 2.316 547 W HA 0.154 4.815 4.660 0.001 0.000 0.311 547 W C -0.821 175.625 176.519 -0.121 0.000 1.217 547 W CA -0.143 57.134 57.345 -0.113 0.000 1.199 547 W CB 1.185 30.521 29.460 -0.207 0.000 1.202 547 W HN -0.088 nan 8.180 nan 0.000 0.528 548 D N 5.128 124.942 120.400 -0.975 0.000 2.427 548 D HA -0.022 4.619 4.640 0.001 0.000 0.226 548 D C 0.711 176.278 176.300 -1.221 0.000 1.076 548 D CA -0.130 53.350 54.000 -0.866 0.000 0.849 548 D CB 0.947 41.229 40.800 -0.864 0.000 1.052 548 D HN 0.461 nan 8.370 nan 0.000 0.515 549 D N 2.360 122.375 120.400 -0.642 0.000 2.349 549 D HA -0.085 4.556 4.640 0.001 0.000 0.224 549 D C 0.836 176.951 176.300 -0.309 0.000 1.029 549 D CA 0.514 54.321 54.000 -0.321 0.000 0.879 549 D CB 0.225 41.061 40.800 0.061 0.000 0.906 549 D HN 0.499 nan 8.370 nan 0.000 0.528 550 E N 0.031 119.973 120.200 -0.430 0.000 2.127 550 E HA 0.098 4.448 4.350 0.001 0.000 0.191 550 E C 2.053 178.361 176.600 -0.486 0.000 0.964 550 E CA 0.730 56.923 56.400 -0.344 0.000 0.832 550 E CB 0.025 29.560 29.700 -0.275 0.000 0.790 550 E HN 0.421 nan 8.360 nan 0.000 0.465 551 G N 0.292 108.539 108.800 -0.922 0.000 2.539 551 G HA2 0.145 4.105 3.960 0.001 0.000 0.215 551 G HA3 0.145 4.105 3.960 0.001 0.000 0.215 551 G C 0.965 175.252 174.900 -1.022 0.000 1.141 551 G CA 0.334 44.605 45.100 -1.382 0.000 0.806 551 G HN 0.377 nan 8.290 nan 0.000 0.533 552 G N -0.893 107.267 108.800 -1.066 0.000 2.370 552 G HA2 0.059 4.019 3.960 0.001 0.000 0.268 552 G HA3 0.059 4.019 3.960 0.001 0.000 0.268 552 G C -0.194 174.330 174.900 -0.627 0.000 1.122 552 G CA 0.247 44.951 45.100 -0.661 0.000 0.963 552 G HN 1.463 nan 8.290 nan 0.000 0.500 553 W N -1.916 118.646 121.300 -1.229 0.000 2.926 553 W HA 0.735 5.396 4.660 0.001 0.000 0.361 553 W C -1.262 174.836 176.519 -0.703 0.000 1.195 553 W CA -2.972 53.968 57.345 -0.675 0.000 1.177 553 W CB 0.553 29.913 29.460 -0.167 0.000 1.453 553 W HN 0.160 nan 8.180 nan 0.000 0.571 554 Y N 3.389 123.948 120.300 0.432 0.000 2.308 554 Y HA 0.441 4.992 4.550 0.001 0.000 0.329 554 Y C 1.479 177.663 175.900 0.474 0.000 1.111 554 Y CA -1.035 57.339 58.100 0.456 0.000 1.179 554 Y CB 0.962 39.752 38.460 0.550 0.000 1.201 554 Y HN 0.455 nan 8.280 nan 0.000 0.483 555 I N 0.654 121.524 120.570 0.499 0.000 3.138 555 I HA 0.273 4.444 4.170 0.001 0.000 0.288 555 I C 1.486 177.753 176.117 0.249 0.000 1.148 555 I CA -0.675 60.842 61.300 0.362 0.000 1.315 555 I CB 0.864 39.005 38.000 0.235 0.000 1.426 555 I HN 0.631 nan 8.210 nan 0.000 0.615 556 R N 2.080 122.612 120.500 0.054 0.000 2.119 556 R HA 0.207 4.547 4.340 0.001 0.000 0.222 556 R C 0.582 176.853 176.300 -0.049 0.000 1.088 556 R CA 1.102 57.126 56.100 -0.126 0.000 0.984 556 R CB -0.087 29.809 30.300 -0.673 0.000 0.884 556 R HN 1.063 nan 8.270 nan 0.000 0.447 557 G N -0.670 108.120 108.800 -0.017 0.000 2.367 557 G HA2 0.262 4.223 3.960 0.001 0.000 0.272 557 G HA3 0.262 4.223 3.960 0.001 0.000 0.272 557 G C -2.092 172.809 174.900 0.001 0.000 1.271 557 G CA -0.813 44.278 45.100 -0.014 0.000 0.893 557 G HN 0.063 nan 8.290 nan 0.000 0.485 558 L N 0.715 121.932 121.223 -0.011 0.000 2.388 558 L HA 0.691 5.031 4.340 0.001 0.000 0.264 558 L C 1.023 177.882 176.870 -0.018 0.000 0.998 558 L CA -0.487 54.349 54.840 -0.006 0.000 0.817 558 L CB 2.029 44.082 42.059 -0.010 0.000 1.338 558 L HN 1.024 nan 8.230 nan 0.000 0.414 559 T N -2.300 112.245 114.554 -0.015 0.000 2.726 559 T HA 0.191 4.542 4.350 0.001 0.000 0.294 559 T C 1.038 175.722 174.700 -0.025 0.000 1.013 559 T CA -0.116 61.971 62.100 -0.023 0.000 0.996 559 T CB 0.486 69.343 68.868 -0.020 0.000 1.016 559 T HN 0.778 nan 8.240 nan 0.000 0.529 560 K N 0.655 121.038 120.400 -0.028 0.000 2.280 560 K HA -0.086 4.235 4.320 0.001 0.000 0.202 560 K C 1.194 177.778 176.600 -0.027 0.000 1.047 560 K CA 1.126 57.396 56.287 -0.029 0.000 0.942 560 K CB -0.297 32.185 32.500 -0.030 0.000 0.739 560 K HN 0.398 nan 8.250 nan 0.000 0.457 561 N N 0.648 119.334 118.700 -0.023 0.000 2.322 561 N HA 0.040 4.780 4.740 0.001 0.000 0.194 561 N C 0.587 176.087 175.510 -0.016 0.000 1.126 561 N CA 0.904 53.943 53.050 -0.019 0.000 0.845 561 N CB 1.030 39.508 38.487 -0.015 0.000 0.976 561 N HN 0.576 nan 8.380 nan 0.000 0.475 562 G N 1.223 110.012 108.800 -0.018 0.000 2.143 562 G HA2 -0.261 3.700 3.960 0.001 0.000 0.249 562 G HA3 -0.261 3.700 3.960 0.001 0.000 0.249 562 G C -0.299 174.600 174.900 -0.001 0.000 0.981 562 G CA 0.139 45.230 45.100 -0.015 0.000 0.665 562 G HN 0.430 nan 8.290 nan 0.000 0.528 563 D N 0.754 121.156 120.400 0.003 0.000 2.277 563 D HA 0.472 5.113 4.640 0.001 0.000 0.249 563 D C 0.739 177.054 176.300 0.026 0.000 1.134 563 D CA -0.336 53.673 54.000 0.016 0.000 0.863 563 D CB 0.444 41.253 40.800 0.016 0.000 1.143 563 D HN 0.262 nan 8.370 nan 0.000 0.458 564 K N 3.282 123.706 120.400 0.040 0.000 2.401 564 K HA 0.264 4.584 4.320 0.001 0.000 0.278 564 K C -0.163 176.481 176.600 0.073 0.000 1.018 564 K CA -0.015 56.306 56.287 0.057 0.000 0.981 564 K CB 0.893 33.434 32.500 0.069 0.000 0.933 564 K HN 0.473 nan 8.250 nan 0.000 0.477 565 I N 1.275 121.889 120.570 0.073 0.000 2.362 565 I HA 0.273 4.444 4.170 0.001 0.000 0.289 565 I C 0.626 176.823 176.117 0.133 0.000 0.994 565 I CA -0.266 61.093 61.300 0.098 0.000 1.158 565 I CB 1.690 39.714 38.000 0.039 0.000 1.315 565 I HN 0.883 nan 8.210 nan 0.000 0.451 566 G N 3.419 112.368 108.800 0.248 0.000 2.580 566 G HA2 -0.147 3.814 3.960 0.001 0.000 0.204 566 G HA3 -0.147 3.814 3.960 0.001 0.000 0.204 566 G C -0.148 175.021 174.900 0.448 0.000 1.107 566 G CA -0.151 45.168 45.100 0.365 0.000 0.881 566 G HN 0.791 nan 8.290 nan 0.000 0.497 567 T N -2.892 111.866 114.554 0.340 0.000 2.950 567 T HA 0.815 5.166 4.350 0.001 0.000 0.288 567 T C 1.542 176.442 174.700 0.334 0.000 1.035 567 T CA 0.251 62.522 62.100 0.284 0.000 1.028 567 T CB 2.016 70.948 68.868 0.107 0.000 1.109 567 T HN 1.449 nan 8.240 nan 0.000 0.514 568 A N 0.335 123.228 122.820 0.122 0.000 2.121 568 A HA -0.010 4.311 4.320 0.001 0.000 0.218 568 A C 2.170 179.791 177.584 0.062 0.000 1.154 568 A CA 0.772 52.865 52.037 0.095 0.000 0.679 568 A CB -0.669 18.149 19.000 -0.303 0.000 0.795 568 A HN 0.736 nan 8.150 nan 0.000 0.458 569 Q N -0.004 119.815 119.800 0.031 0.000 2.424 569 Q HA 0.057 4.397 4.340 0.001 0.000 0.204 569 Q C 0.344 176.367 176.000 0.037 0.000 0.933 569 Q CA 0.428 56.242 55.803 0.020 0.000 0.929 569 Q CB 0.060 28.799 28.738 0.002 0.000 1.037 569 Q HN 0.786 nan 8.270 nan 0.000 0.511 570 Q N 0.082 119.921 119.800 0.064 0.000 2.312 570 Q HA 0.117 4.457 4.340 0.001 0.000 0.236 570 Q C 0.908 176.922 176.000 0.024 0.000 0.965 570 Q CA -0.019 55.818 55.803 0.057 0.000 0.894 570 Q CB 0.706 29.499 28.738 0.092 0.000 1.225 570 Q HN 0.147 nan 8.270 nan 0.000 0.478 571 Q N 0.368 120.175 119.800 0.012 0.000 2.302 571 Q HA -0.018 4.322 4.340 0.001 0.000 0.202 571 Q C -0.363 175.596 176.000 -0.067 0.000 0.936 571 Q CA 0.843 56.634 55.803 -0.020 0.000 0.886 571 Q CB 0.543 29.278 28.738 -0.006 0.000 0.986 571 Q HN 0.537 nan 8.270 nan 0.000 0.487 572 E N -0.634 119.525 120.200 -0.067 0.000 2.288 572 E HA 0.455 4.806 4.350 0.001 0.000 0.268 572 E C -0.468 175.917 176.600 -0.358 0.000 0.885 572 E CA -0.613 55.659 56.400 -0.213 0.000 0.767 572 E CB 1.752 31.389 29.700 -0.106 0.000 1.220 572 E HN 0.183 nan 8.360 nan 0.000 0.427 573 G N 2.032 110.369 108.800 -0.771 0.000 2.372 573 G HA2 -0.333 3.628 3.960 0.001 0.000 0.297 573 G HA3 -0.333 3.628 3.960 0.001 0.000 0.297 573 G C 0.534 175.287 174.900 -0.245 0.000 1.005 573 G CA 0.636 45.254 45.100 -0.802 0.000 1.173 573 G HN 0.533 nan 8.290 nan 0.000 0.511 574 R N -1.206 119.091 120.500 -0.338 0.000 2.064 574 R HA 0.152 4.492 4.340 0.001 0.000 0.221 574 R C 1.008 177.012 176.300 -0.493 0.000 1.136 574 R CA 1.200 57.174 56.100 -0.211 0.000 0.980 574 R CB 0.257 30.432 30.300 -0.209 0.000 0.876 574 R HN 0.361 nan 8.270 nan 0.000 0.437 575 V N 2.573 122.005 119.914 -0.805 0.000 2.398 575 V HA 0.218 4.339 4.120 0.001 0.000 0.286 575 V C -0.403 175.308 176.094 -0.638 0.000 1.026 575 V CA -0.594 61.169 62.300 -0.895 0.000 0.868 575 V CB 1.438 32.746 31.823 -0.859 0.000 0.982 575 V HN 0.269 nan 8.190 nan 0.000 0.443 576 H N 4.433 123.365 119.070 -0.229 0.000 2.489 576 H HA 0.291 4.848 4.556 0.001 0.000 0.343 576 H C 0.501 175.834 175.328 0.009 0.000 1.086 576 H CA -0.674 55.341 56.048 -0.055 0.000 1.198 576 H CB 2.792 32.574 29.762 0.034 0.000 1.490 576 H HN 0.545 nan 8.280 nan 0.000 0.504 577 L N 3.187 124.466 121.223 0.094 0.000 2.027 577 L HA -0.116 4.224 4.340 0.001 0.000 0.206 577 L C 1.909 178.882 176.870 0.171 0.000 1.074 577 L CA 1.798 56.689 54.840 0.085 0.000 0.745 577 L CB -0.273 41.797 42.059 0.018 0.000 0.898 577 L HN 0.634 nan 8.230 nan 0.000 0.433 578 E N -0.631 119.706 120.200 0.228 0.000 2.031 578 E HA -0.221 4.130 4.350 0.001 0.000 0.193 578 E C 2.216 179.027 176.600 0.353 0.000 0.994 578 E CA 1.688 58.311 56.400 0.372 0.000 0.800 578 E CB -0.285 29.643 29.700 0.381 0.000 0.752 578 E HN 0.714 nan 8.360 nan 0.000 0.447 579 S N 1.300 117.199 115.700 0.332 0.000 2.356 579 S HA -0.161 4.309 4.470 0.001 0.000 0.223 579 S C 1.790 176.579 174.600 0.314 0.000 1.032 579 S CA 1.124 59.580 58.200 0.427 0.000 1.005 579 S CB -0.383 63.073 63.200 0.427 0.000 0.867 579 S HN 0.167 nan 8.310 nan 0.000 0.449 580 N N 1.784 120.652 118.700 0.280 0.000 2.188 580 N HA -0.079 4.661 4.740 0.001 0.000 0.184 580 N C 2.146 177.705 175.510 0.082 0.000 1.018 580 N CA 2.006 55.199 53.050 0.238 0.000 0.858 580 N CB -0.754 37.901 38.487 0.280 0.000 0.989 580 N HN 0.844 nan 8.380 nan 0.000 0.426 581 T N -0.374 114.235 114.554 0.093 0.000 2.812 581 T HA 0.043 4.393 4.350 0.001 0.000 0.264 581 T C 2.191 176.823 174.700 -0.113 0.000 1.042 581 T CA 0.512 62.637 62.100 0.042 0.000 1.140 581 T CB -0.528 68.424 68.868 0.140 0.000 0.870 581 T HN 0.062 nan 8.240 nan 0.000 0.445 582 L N 0.950 122.093 121.223 -0.133 0.000 2.201 582 L HA 0.114 4.455 4.340 0.001 0.000 0.212 582 L C 3.299 179.835 176.870 -0.555 0.000 1.105 582 L CA 0.879 55.530 54.840 -0.315 0.000 0.775 582 L CB -0.761 41.210 42.059 -0.146 0.000 0.913 582 L HN 0.388 nan 8.230 nan 0.000 0.440 583 A N -0.212 122.028 122.820 -0.966 0.000 1.940 583 A HA -0.139 4.182 4.320 0.001 0.000 0.219 583 A C 2.257 179.412 177.584 -0.715 0.000 1.176 583 A CA 1.868 52.939 52.037 -1.611 0.000 0.631 583 A CB -0.528 17.384 19.000 -1.815 0.000 0.814 583 A HN 0.232 nan 8.150 nan 0.000 0.446 584 V N -0.640 119.032 119.914 -0.405 0.000 2.426 584 V HA -0.091 4.030 4.120 0.001 0.000 0.242 584 V C 2.387 178.351 176.094 -0.218 0.000 1.036 584 V CA 1.273 63.443 62.300 -0.218 0.000 1.044 584 V CB -0.740 31.024 31.823 -0.098 0.000 0.688 584 V HN 0.611 nan 8.190 nan 0.000 0.462 585 L N 1.154 122.199 121.223 -0.295 0.000 2.079 585 L HA -0.210 4.131 4.340 0.001 0.000 0.210 585 L C 2.624 179.242 176.870 -0.420 0.000 1.081 585 L CA 2.275 56.872 54.840 -0.405 0.000 0.752 585 L CB -0.299 41.411 42.059 -0.583 0.000 0.896 585 L HN 0.565 nan 8.230 nan 0.000 0.433 586 S N -0.926 114.581 115.700 -0.322 0.000 2.447 586 S HA 0.027 4.498 4.470 0.001 0.000 0.233 586 S C 1.592 176.355 174.600 0.272 0.000 1.006 586 S CA 0.649 58.845 58.200 -0.008 0.000 0.957 586 S CB -0.227 63.086 63.200 0.187 0.000 0.773 586 S HN 0.793 nan 8.310 nan 0.000 0.507 587 G N 0.811 109.670 108.800 0.099 0.000 2.157 587 G HA2 -0.254 3.707 3.960 0.001 0.000 0.239 587 G HA3 -0.254 3.707 3.960 0.001 0.000 0.239 587 G C 0.428 175.412 174.900 0.140 0.000 0.982 587 G CA 0.374 45.583 45.100 0.182 0.000 0.650 587 G HN 0.563 nan 8.290 nan 0.000 0.527 588 L N 0.571 121.707 121.223 -0.146 0.000 2.068 588 L HA 0.603 4.943 4.340 0.001 0.000 0.204 588 L C 2.114 178.782 176.870 -0.336 0.000 1.076 588 L CA 1.477 55.941 54.840 -0.627 0.000 0.753 588 L CB -0.359 41.200 42.059 -0.833 0.000 0.910 588 L HN 0.577 nan 8.230 nan 0.000 0.439 589 A N 0.150 122.794 122.820 -0.293 0.000 2.462 589 A HA 0.297 4.617 4.320 0.001 0.000 0.243 589 A C 0.582 178.121 177.584 -0.075 0.000 1.076 589 A CA 0.278 52.230 52.037 -0.141 0.000 0.773 589 A CB -0.039 18.900 19.000 -0.102 0.000 1.010 589 A HN 0.539 nan 8.150 nan 0.000 0.493 590 S N 1.154 116.815 115.700 -0.066 0.000 2.600 590 S HA 0.165 4.635 4.470 0.001 0.000 0.265 590 S C 0.963 175.535 174.600 -0.048 0.000 1.325 590 S CA 0.392 58.553 58.200 -0.065 0.000 1.002 590 S CB 0.749 63.888 63.200 -0.102 0.000 0.921 590 S HN 0.829 nan 8.310 nan 0.000 0.554 591 Q N 0.709 120.490 119.800 -0.032 0.000 2.084 591 Q HA -0.158 4.182 4.340 0.001 0.000 0.202 591 Q C 1.641 177.629 176.000 -0.021 0.000 0.978 591 Q CA 2.234 58.028 55.803 -0.015 0.000 0.844 591 Q CB -0.520 28.213 28.738 -0.008 0.000 0.898 591 Q HN 0.861 nan 8.270 nan 0.000 0.426 592 E N -0.114 120.054 120.200 -0.052 0.000 2.031 592 E HA -0.127 4.223 4.350 0.001 0.000 0.193 592 E C 2.109 178.655 176.600 -0.089 0.000 0.994 592 E CA 1.497 57.859 56.400 -0.064 0.000 0.800 592 E CB -0.153 29.491 29.700 -0.094 0.000 0.752 592 E HN 0.303 nan 8.360 nan 0.000 0.447 593 R N -0.090 120.280 120.500 -0.217 0.000 2.115 593 R HA -0.026 4.315 4.340 0.001 0.000 0.230 593 R C 2.424 178.742 176.300 0.029 0.000 1.111 593 R CA 1.077 56.945 56.100 -0.386 0.000 0.976 593 R CB -0.495 29.303 30.300 -0.837 0.000 0.870 593 R HN 0.279 nan 8.270 nan 0.000 0.445 594 G N 1.171 110.008 108.800 0.062 0.000 2.421 594 G HA2 -0.273 3.687 3.960 0.001 0.000 0.216 594 G HA3 -0.273 3.687 3.960 0.001 0.000 0.216 594 G C 1.131 176.119 174.900 0.146 0.000 1.171 594 G CA 0.590 45.769 45.100 0.132 0.000 0.775 594 G HN 0.324 nan 8.290 nan 0.000 0.543 595 E N -0.221 120.039 120.200 0.099 0.000 2.077 595 E HA -0.186 4.164 4.350 0.001 0.000 0.193 595 E C 2.461 179.152 176.600 0.150 0.000 0.989 595 E CA 1.130 57.591 56.400 0.101 0.000 0.800 595 E CB -0.135 29.602 29.700 0.061 0.000 0.746 595 E HN 0.607 nan 8.360 nan 0.000 0.452 596 Q N 0.390 120.304 119.800 0.190 0.000 2.119 596 Q HA -0.128 4.212 4.340 0.001 0.000 0.201 596 Q C 2.093 178.290 176.000 0.330 0.000 0.972 596 Q CA 1.264 57.221 55.803 0.256 0.000 0.847 596 Q CB -0.055 28.877 28.738 0.323 0.000 0.903 596 Q HN 0.222 nan 8.270 nan 0.000 0.433 597 A N 0.513 123.583 122.820 0.418 0.000 1.902 597 A HA -0.160 4.161 4.320 0.001 0.000 0.217 597 A C 1.991 179.764 177.584 0.315 0.000 1.181 597 A CA 1.401 53.702 52.037 0.440 0.000 0.623 597 A CB -0.401 18.948 19.000 0.582 0.000 0.818 597 A HN 0.399 nan 8.150 nan 0.000 0.443 598 M N -0.083 119.673 119.600 0.259 0.000 2.394 598 M HA -0.071 4.410 4.480 0.001 0.000 0.264 598 M C 1.024 177.449 176.300 0.209 0.000 1.073 598 M CA 1.039 56.473 55.300 0.223 0.000 1.111 598 M CB -1.308 31.416 32.600 0.206 0.000 1.401 598 M HN 0.309 nan 8.290 nan 0.000 0.448 599 D N 0.492 121.002 120.400 0.183 0.000 2.183 599 D HA 0.018 4.658 4.640 0.001 0.000 0.203 599 D C 1.975 178.344 176.300 0.115 0.000 0.969 599 D CA 1.200 55.280 54.000 0.134 0.000 0.842 599 D CB 0.074 40.941 40.800 0.112 0.000 0.957 599 D HN 0.292 nan 8.370 nan 0.000 0.484 600 A N 0.275 123.204 122.820 0.182 0.000 1.929 600 A HA -0.081 4.239 4.320 0.001 0.000 0.216 600 A C 2.450 180.097 177.584 0.107 0.000 1.176 600 A CA 0.791 52.947 52.037 0.198 0.000 0.628 600 A CB -0.584 18.668 19.000 0.420 0.000 0.816 600 A HN 0.120 nan 8.150 nan 0.000 0.444 601 V N 0.589 120.578 119.914 0.125 0.000 2.295 601 V HA -0.273 3.847 4.120 0.001 0.000 0.246 601 V C 2.371 178.535 176.094 0.117 0.000 1.049 601 V CA 2.594 64.948 62.300 0.090 0.000 1.024 601 V CB -0.723 31.158 31.823 0.096 0.000 0.648 601 V HN 0.752 nan 8.190 nan 0.000 0.447 602 D N -0.144 120.370 120.400 0.190 0.000 2.084 602 D HA -0.247 4.394 4.640 0.001 0.000 0.194 602 D C 2.218 178.613 176.300 0.158 0.000 0.990 602 D CA 1.827 55.987 54.000 0.268 0.000 0.826 602 D CB -0.161 40.789 40.800 0.250 0.000 0.971 602 D HN 0.559 nan 8.370 nan 0.000 0.453 603 E N -1.434 118.757 120.200 -0.014 0.000 2.077 603 E HA -0.228 4.122 4.350 0.001 0.000 0.193 603 E C 1.558 178.022 176.600 -0.226 0.000 0.989 603 E CA 1.110 57.403 56.400 -0.179 0.000 0.800 603 E CB -0.007 29.452 29.700 -0.401 0.000 0.746 603 E HN 0.507 nan 8.360 nan 0.000 0.452 604 H N -1.004 118.092 119.070 0.043 0.000 2.595 604 H HA 0.158 4.715 4.556 0.001 0.000 0.265 604 H C 1.684 176.982 175.328 -0.050 0.000 0.953 604 H CA 0.518 56.542 56.048 -0.039 0.000 1.197 604 H CB 0.627 30.306 29.762 -0.138 0.000 1.438 604 H HN 0.233 nan 8.280 nan 0.000 0.531 605 L N -0.765 120.529 121.223 0.118 0.000 2.672 605 L HA 0.157 4.498 4.340 0.001 0.000 0.236 605 L C 0.429 177.452 176.870 0.255 0.000 1.092 605 L CA -0.198 54.722 54.840 0.135 0.000 0.887 605 L CB 0.347 42.451 42.059 0.074 0.000 1.168 605 L HN -0.061 nan 8.230 nan 0.000 0.502 606 F N 2.312 122.332 119.950 0.116 0.000 2.471 606 F HA 0.317 4.844 4.527 0.001 0.000 0.353 606 F C 0.672 176.599 175.800 0.212 0.000 1.113 606 F CA -0.433 57.659 58.000 0.153 0.000 1.262 606 F CB 0.789 39.917 39.000 0.212 0.000 1.146 606 F HN -0.004 nan 8.300 nan 0.000 0.578 607 S N 4.544 119.702 115.700 -0.903 0.000 2.607 607 S HA 0.511 4.982 4.470 0.001 0.000 0.273 607 S C -2.574 171.471 174.600 -0.925 0.000 1.148 607 S CA -1.266 56.613 58.200 -0.535 0.000 0.833 607 S CB 1.889 65.143 63.200 0.089 0.000 1.130 607 S HN 0.313 nan 8.310 nan 0.000 0.470 608 P HA 0.027 nan 4.420 nan 0.000 0.226 608 P C 0.031 177.040 177.300 -0.484 0.000 1.146 608 P CA 1.065 63.898 63.100 -0.444 0.000 0.773 608 P CB -0.225 31.223 31.700 -0.419 0.000 0.772 609 Y N -1.654 118.504 120.300 -0.236 0.000 2.458 609 Y HA 0.444 4.994 4.550 0.001 0.000 0.256 609 Y C 1.592 177.393 175.900 -0.165 0.000 1.159 609 Y CA 0.539 58.524 58.100 -0.191 0.000 1.261 609 Y CB 0.284 38.602 38.460 -0.237 0.000 1.119 609 Y HN -0.084 nan 8.280 nan 0.000 0.524 610 G N -0.280 108.456 108.800 -0.107 0.000 2.347 610 G HA2 -0.008 3.953 3.960 0.001 0.000 0.341 610 G HA3 -0.008 3.953 3.960 0.001 0.000 0.341 610 G C -1.714 173.104 174.900 -0.137 0.000 1.287 610 G CA -1.263 43.811 45.100 -0.042 0.000 0.984 610 G HN -0.035 nan 8.290 nan 0.000 0.526 611 L N 1.095 122.275 121.223 -0.072 0.000 2.276 611 L HA 0.456 4.796 4.340 0.001 0.000 0.286 611 L C 0.659 177.481 176.870 -0.080 0.000 1.061 611 L CA -0.864 53.933 54.840 -0.072 0.000 0.807 611 L CB 0.959 42.929 42.059 -0.149 0.000 1.177 611 L HN 0.575 nan 8.230 nan 0.000 0.429 612 H N 1.684 120.739 119.070 -0.025 0.000 2.771 612 H HA -0.018 4.539 4.556 0.001 0.000 0.364 612 H C 0.624 175.935 175.328 -0.029 0.000 1.133 612 H CA -0.171 55.870 56.048 -0.013 0.000 1.423 612 H CB 1.044 30.783 29.762 -0.037 0.000 1.425 612 H HN 0.461 nan 8.280 nan 0.000 0.606 613 L N 1.541 122.829 121.223 0.108 0.000 2.156 613 L HA -0.018 4.322 4.340 0.001 0.000 0.208 613 L C -0.188 176.677 176.870 -0.008 0.000 1.095 613 L CA 1.322 56.194 54.840 0.053 0.000 0.770 613 L CB -0.421 41.676 42.059 0.063 0.000 0.914 613 L HN 0.933 nan 8.230 nan 0.000 0.439 614 N N -1.860 116.800 118.700 -0.067 0.000 2.961 614 N HA 0.659 5.399 4.740 0.001 0.000 0.245 614 N C -1.366 173.955 175.510 -0.316 0.000 1.404 614 N CA -0.153 52.717 53.050 -0.299 0.000 0.880 614 N CB 1.116 39.354 38.487 -0.414 0.000 1.461 614 N HN 0.078 nan 8.380 nan 0.000 0.510 615 A N -0.528 122.015 122.820 -0.462 0.000 2.577 615 A HA 0.767 5.087 4.320 0.001 0.000 0.297 615 A C -3.233 174.076 177.584 -0.458 0.000 1.060 615 A CA -1.062 50.731 52.037 -0.406 0.000 0.697 615 A CB 1.116 19.928 19.000 -0.314 0.000 1.281 615 A HN 0.542 nan 8.150 nan 0.000 0.402 616 P HA 0.384 nan 4.420 nan 0.000 0.274 616 P C 0.036 177.086 177.300 -0.416 0.000 1.256 616 P CA -0.128 62.772 63.100 -0.332 0.000 0.795 616 P CB 0.705 32.257 31.700 -0.247 0.000 1.038 617 S N -0.035 115.488 115.700 -0.296 0.000 2.584 617 S HA 0.248 4.719 4.470 0.001 0.000 0.270 617 S C -0.041 174.396 174.600 -0.272 0.000 1.346 617 S CA -0.077 57.968 58.200 -0.259 0.000 1.018 617 S CB -0.364 62.784 63.200 -0.086 0.000 0.899 617 S HN 0.172 nan 8.310 nan 0.000 0.542 618 F N 1.459 121.389 119.950 -0.033 0.000 2.429 618 F HA 0.271 4.798 4.527 0.001 0.000 0.348 618 F C 1.620 177.404 175.800 -0.027 0.000 1.109 618 F CA -0.192 57.792 58.000 -0.028 0.000 1.232 618 F CB 0.954 39.937 39.000 -0.028 0.000 1.157 618 F HN 0.659 nan 8.300 nan 0.000 0.564 619 S N -1.338 114.461 115.700 0.165 0.000 2.787 619 S HA 0.197 4.667 4.470 0.001 0.000 0.255 619 S C 0.129 174.767 174.600 0.063 0.000 1.051 619 S CA -0.248 58.003 58.200 0.085 0.000 1.124 619 S CB 0.033 63.261 63.200 0.047 0.000 1.104 619 S HN 0.461 nan 8.310 nan 0.000 0.623 620 T N 5.644 120.248 114.554 0.084 0.000 2.791 620 T HA 0.506 4.856 4.350 0.001 0.000 0.288 620 T C -3.063 171.637 174.700 0.001 0.000 0.999 620 T CA -1.459 60.665 62.100 0.040 0.000 0.952 620 T CB 1.748 70.645 68.868 0.049 0.000 0.938 620 T HN 0.120 nan 8.240 nan 0.000 0.444 621 P HA 0.124 nan 4.420 nan 0.000 0.267 621 P C -0.635 176.623 177.300 -0.070 0.000 1.209 621 P CA -0.129 62.925 63.100 -0.077 0.000 0.763 621 P CB 0.472 32.128 31.700 -0.072 0.000 0.816 622 N N 3.183 121.818 118.700 -0.107 0.000 2.621 622 N HA 0.059 4.799 4.740 0.001 0.000 0.271 622 N C 0.152 175.597 175.510 -0.108 0.000 1.181 622 N CA -0.239 52.755 53.050 -0.092 0.000 0.805 622 N CB 0.751 39.184 38.487 -0.090 0.000 1.351 622 N HN 0.125 nan 8.380 nan 0.000 0.539 623 D N 1.346 121.702 120.400 -0.074 0.000 2.310 623 D HA -0.099 4.541 4.640 0.001 0.000 0.212 623 D C 0.351 176.613 176.300 -0.063 0.000 0.965 623 D CA 0.927 54.890 54.000 -0.062 0.000 0.879 623 D CB 0.499 41.272 40.800 -0.044 0.000 0.921 623 D HN 0.572 nan 8.370 nan 0.000 0.510 624 D N 0.020 120.382 120.400 -0.062 0.000 2.183 624 D HA 0.003 4.643 4.640 0.001 0.000 0.203 624 D C 2.122 178.380 176.300 -0.070 0.000 0.969 624 D CA 0.405 54.373 54.000 -0.054 0.000 0.842 624 D CB 0.168 40.944 40.800 -0.040 0.000 0.957 624 D HN 0.244 nan 8.370 nan 0.000 0.484 625 I N -0.719 119.787 120.570 -0.107 0.000 2.400 625 I HA 0.197 4.368 4.170 0.001 0.000 0.248 625 I C 1.244 177.263 176.117 -0.163 0.000 1.109 625 I CA 0.533 61.740 61.300 -0.154 0.000 1.425 625 I CB 0.078 37.915 38.000 -0.272 0.000 1.094 625 I HN 0.081 nan 8.210 nan 0.000 0.425 626 G N -0.385 108.323 108.800 -0.152 0.000 2.361 626 G HA2 -0.159 3.801 3.960 0.001 0.000 0.331 626 G HA3 -0.159 3.801 3.960 0.001 0.000 0.331 626 G C -0.296 174.568 174.900 -0.060 0.000 1.324 626 G CA -0.420 44.630 45.100 -0.084 0.000 0.984 626 G HN -0.041 nan 8.290 nan 0.000 0.586 627 F N 0.226 120.103 119.950 -0.122 0.000 2.307 627 F HA 0.025 4.552 4.527 0.001 0.000 0.301 627 F C 2.616 178.362 175.800 -0.089 0.000 1.076 627 F CA 2.289 60.236 58.000 -0.089 0.000 1.383 627 F CB 0.033 39.010 39.000 -0.038 0.000 1.055 627 F HN 0.480 nan 8.300 nan 0.000 0.526 628 V N 0.355 120.202 119.914 -0.111 0.000 2.568 628 V HA -0.290 3.831 4.120 0.001 0.000 0.253 628 V C 2.243 178.187 176.094 -0.250 0.000 1.072 628 V CA 2.676 64.882 62.300 -0.156 0.000 1.084 628 V CB -0.920 30.851 31.823 -0.087 0.000 0.676 628 V HN 0.626 nan 8.190 nan 0.000 0.469 629 T N -2.808 111.518 114.554 -0.380 0.000 3.160 629 T HA -0.006 4.345 4.350 0.001 0.000 0.257 629 T C 1.566 176.123 174.700 -0.239 0.000 1.147 629 T CA 0.701 62.620 62.100 -0.302 0.000 1.064 629 T CB -0.346 68.318 68.868 -0.341 0.000 0.949 629 T HN 0.575 nan 8.240 nan 0.000 0.526 630 R N 0.276 120.530 120.500 -0.410 0.000 2.509 630 R HA 0.410 4.751 4.340 0.001 0.000 0.300 630 R C -0.547 175.426 176.300 -0.545 0.000 0.985 630 R CA -0.201 55.613 56.100 -0.477 0.000 1.092 630 R CB 0.884 30.817 30.300 -0.612 0.000 1.237 630 R HN 0.266 nan 8.270 nan 0.000 0.546 631 V N 0.879 120.543 119.914 -0.417 0.000 2.612 631 V HA 0.216 4.336 4.120 0.001 0.000 0.301 631 V C 0.088 176.117 176.094 -0.108 0.000 1.046 631 V CA -0.934 61.196 62.300 -0.283 0.000 0.946 631 V CB 1.274 33.003 31.823 -0.157 0.000 1.003 631 V HN 0.106 nan 8.190 nan 0.000 0.459 632 Y N 1.827 122.131 120.300 0.007 0.000 2.702 632 Y HA 0.011 4.561 4.550 0.001 0.000 0.336 632 Y C 1.204 177.146 175.900 0.070 0.000 1.235 632 Y CA 0.144 58.278 58.100 0.056 0.000 1.492 632 Y CB 0.315 38.843 38.460 0.112 0.000 1.308 632 Y HN 0.560 nan 8.280 nan 0.000 0.589 633 Q N 1.452 121.409 119.800 0.263 0.000 2.311 633 Q HA 0.164 4.504 4.340 0.001 0.000 0.272 633 Q C 0.959 177.069 176.000 0.183 0.000 1.012 633 Q CA 0.777 56.677 55.803 0.161 0.000 0.891 633 Q CB 0.682 29.479 28.738 0.098 0.000 1.201 633 Q HN 1.052 nan 8.270 nan 0.000 0.391 634 G N 1.347 110.233 108.800 0.144 0.000 2.159 634 G HA2 -0.238 3.723 3.960 0.001 0.000 0.256 634 G HA3 -0.238 3.723 3.960 0.001 0.000 0.256 634 G C -0.093 174.907 174.900 0.167 0.000 0.977 634 G CA 0.069 45.273 45.100 0.173 0.000 0.652 634 G HN 0.456 nan 8.290 nan 0.000 0.531 635 V N 0.532 120.522 119.914 0.128 0.000 2.680 635 V HA 0.707 4.828 4.120 0.001 0.000 0.309 635 V C 1.169 177.176 176.094 -0.145 0.000 1.052 635 V CA -0.518 61.799 62.300 0.028 0.000 0.908 635 V CB 1.794 33.694 31.823 0.128 0.000 1.001 635 V HN 0.447 nan 8.190 nan 0.000 0.431 636 K N 2.587 122.603 120.400 -0.640 0.000 1.824 636 K HA -0.319 4.001 4.320 0.001 0.000 0.120 636 K C 1.334 177.912 176.600 -0.038 0.000 1.268 636 K CA 2.050 58.021 56.287 -0.526 0.000 0.420 636 K CB -0.822 31.530 32.500 -0.246 0.000 0.586 636 K HN 0.874 nan 8.250 nan 0.000 0.907 637 E N 1.191 121.369 120.200 -0.038 0.000 2.338 637 E HA -0.080 4.271 4.350 0.001 0.000 0.197 637 E C 0.751 177.374 176.600 0.037 0.000 1.007 637 E CA 0.840 57.191 56.400 -0.083 0.000 0.849 637 E CB -0.223 29.430 29.700 -0.078 0.000 0.774 637 E HN 0.337 nan 8.360 nan 0.000 0.506 638 N N 0.190 118.929 118.700 0.066 0.000 2.918 638 N HA 0.216 4.957 4.740 0.001 0.000 0.247 638 N C 0.135 175.704 175.510 0.097 0.000 1.117 638 N CA 0.436 53.565 53.050 0.131 0.000 1.005 638 N CB 0.198 38.768 38.487 0.138 0.000 1.297 638 N HN 0.138 nan 8.380 nan 0.000 0.513 639 G N 0.986 109.832 108.800 0.076 0.000 2.143 639 G HA2 -0.184 3.776 3.960 0.001 0.000 0.249 639 G HA3 -0.184 3.776 3.960 0.001 0.000 0.249 639 G C 0.315 175.335 174.900 0.201 0.000 0.981 639 G CA 0.220 45.369 45.100 0.081 0.000 0.665 639 G HN 0.855 nan 8.290 nan 0.000 0.528 640 A N -0.593 122.327 122.820 0.168 0.000 2.242 640 A HA 0.811 5.131 4.320 0.001 0.000 0.304 640 A C 0.518 178.181 177.584 0.131 0.000 1.100 640 A CA -0.476 51.669 52.037 0.180 0.000 0.860 640 A CB 0.584 19.672 19.000 0.147 0.000 1.168 640 A HN 0.712 nan 8.150 nan 0.000 0.503 641 I N 0.984 121.573 120.570 0.032 0.000 2.256 641 I HA 0.120 4.290 4.170 0.001 0.000 0.294 641 I C -0.945 175.207 176.117 0.058 0.000 1.127 641 I CA 0.246 61.503 61.300 -0.071 0.000 1.247 641 I CB -0.287 37.600 38.000 -0.188 0.000 1.460 641 I HN 0.473 nan 8.210 nan 0.000 0.511 642 F N 4.701 124.635 119.950 -0.028 0.000 2.438 642 F HA 0.109 4.637 4.527 0.001 0.000 0.360 642 F C 1.685 177.436 175.800 -0.083 0.000 1.118 642 F CA 0.374 58.368 58.000 -0.009 0.000 1.164 642 F CB 1.001 39.972 39.000 -0.049 0.000 1.131 642 F HN 0.434 nan 8.300 nan 0.000 0.527 643 S N 2.691 118.318 115.700 -0.121 0.000 2.370 643 S HA -0.293 4.177 4.470 0.001 0.000 0.226 643 S C 1.921 176.390 174.600 -0.219 0.000 1.033 643 S CA 1.611 59.730 58.200 -0.135 0.000 1.011 643 S CB -0.581 62.549 63.200 -0.116 0.000 0.852 643 S HN 0.875 nan 8.310 nan 0.000 0.457 644 H N 2.462 121.385 119.070 -0.244 0.000 2.292 644 H HA -0.117 4.440 4.556 0.001 0.000 0.292 644 H C -1.082 173.692 175.328 -0.924 0.000 1.100 644 H CA 2.371 58.178 56.048 -0.403 0.000 1.238 644 H CB -1.033 28.607 29.762 -0.204 0.000 1.355 644 H HN 0.322 nan 8.280 nan 0.000 0.484 645 P HA -0.041 nan 4.420 nan 0.000 0.233 645 P C 0.894 177.650 177.300 -0.907 0.000 1.167 645 P CA 0.951 63.197 63.100 -1.422 0.000 0.770 645 P CB 0.094 31.321 31.700 -0.788 0.000 0.837 646 N N 0.058 118.357 118.700 -0.668 0.000 2.069 646 N HA -0.115 4.625 4.740 0.001 0.000 0.191 646 N C -0.871 174.012 175.510 -1.045 0.000 1.031 646 N CA 1.714 54.426 53.050 -0.564 0.000 0.852 646 N CB -1.439 36.870 38.487 -0.298 0.000 1.018 646 N HN 0.225 nan 8.380 nan 0.000 0.423 647 P HA -0.107 nan 4.420 nan 0.000 0.219 647 P C 0.832 177.741 177.300 -0.652 0.000 1.146 647 P CA 0.912 63.030 63.100 -1.637 0.000 0.808 647 P CB -0.167 30.969 31.700 -0.941 0.000 0.779 648 W N -0.031 120.845 121.300 -0.707 0.000 2.374 648 W HA 0.064 4.724 4.660 0.001 0.000 0.288 648 W C 2.410 178.743 176.519 -0.310 0.000 1.218 648 W CA 0.655 57.671 57.345 -0.549 0.000 1.245 648 W CB -1.918 27.209 29.460 -0.556 0.000 1.126 648 W HN -0.027 nan 8.180 nan 0.000 0.545 649 A N -0.435 122.354 122.820 -0.052 0.000 1.930 649 A HA -0.139 4.181 4.320 0.001 0.000 0.217 649 A C 1.781 179.587 177.584 0.369 0.000 1.175 649 A CA 1.415 53.522 52.037 0.116 0.000 0.627 649 A CB -1.199 17.800 19.000 -0.003 0.000 0.815 649 A HN 0.247 nan 8.150 nan 0.000 0.443 650 W N -0.043 121.369 121.300 0.187 0.000 2.379 650 W HA -0.056 4.604 4.660 0.001 0.000 0.307 650 W C 2.226 178.779 176.519 0.056 0.000 1.200 650 W CA 0.717 58.169 57.345 0.177 0.000 1.297 650 W CB -1.636 27.929 29.460 0.175 0.000 1.140 650 W HN 0.148 nan 8.180 nan 0.000 0.507 651 V N 1.324 121.340 119.914 0.171 0.000 2.287 651 V HA -0.297 3.824 4.120 0.001 0.000 0.248 651 V C 2.632 178.665 176.094 -0.102 0.000 1.053 651 V CA 2.511 64.736 62.300 -0.126 0.000 1.027 651 V CB -1.684 29.893 31.823 -0.410 0.000 0.646 651 V HN 0.145 nan 8.190 nan 0.000 0.447 652 A N -0.343 122.453 122.820 -0.040 0.000 1.892 652 A HA -0.251 4.070 4.320 0.001 0.000 0.218 652 A C 2.198 179.807 177.584 0.042 0.000 1.188 652 A CA 1.922 53.949 52.037 -0.017 0.000 0.631 652 A CB -0.520 18.496 19.000 0.026 0.000 0.822 652 A HN 0.520 nan 8.150 nan 0.000 0.447 653 E N -0.339 119.928 120.200 0.113 0.000 2.110 653 E HA -0.153 4.198 4.350 0.001 0.000 0.193 653 E C 2.340 178.960 176.600 0.033 0.000 0.988 653 E CA 1.839 58.288 56.400 0.081 0.000 0.804 653 E CB -0.863 28.891 29.700 0.090 0.000 0.745 653 E HN 0.865 nan 8.360 nan 0.000 0.458 654 T N -0.953 113.628 114.554 0.046 0.000 2.821 654 T HA -0.059 4.292 4.350 0.001 0.000 0.267 654 T C 1.774 176.502 174.700 0.046 0.000 1.046 654 T CA 0.880 63.005 62.100 0.041 0.000 1.139 654 T CB -0.053 68.875 68.868 0.100 0.000 0.871 654 T HN 0.050 nan 8.240 nan 0.000 0.454 655 K N 0.728 121.149 120.400 0.036 0.000 2.283 655 K HA 0.185 4.505 4.320 0.001 0.000 0.202 655 K C 1.943 178.559 176.600 0.026 0.000 1.048 655 K CA 0.730 57.039 56.287 0.037 0.000 0.948 655 K CB -0.229 32.276 32.500 0.008 0.000 0.742 655 K HN 0.403 nan 8.250 nan 0.000 0.458 656 L N -0.364 120.870 121.223 0.019 0.000 2.558 656 L HA 0.102 4.443 4.340 0.001 0.000 0.225 656 L C 1.029 177.901 176.870 0.005 0.000 1.128 656 L CA 0.263 55.112 54.840 0.015 0.000 0.868 656 L CB 0.044 42.117 42.059 0.023 0.000 1.006 656 L HN 0.357 nan 8.230 nan 0.000 0.454 657 G N 1.209 110.009 108.800 0.001 0.000 2.147 657 G HA2 -0.297 3.664 3.960 0.001 0.000 0.244 657 G HA3 -0.297 3.664 3.960 0.001 0.000 0.244 657 G C 0.290 175.168 174.900 -0.037 0.000 1.005 657 G CA -0.212 44.880 45.100 -0.013 0.000 0.713 657 G HN 0.428 nan 8.290 nan 0.000 0.515 658 R N 0.380 120.851 120.500 -0.049 0.000 2.937 658 R HA 0.429 4.770 4.340 0.001 0.000 0.264 658 R C 1.772 177.993 176.300 -0.133 0.000 1.334 658 R CA 0.041 56.089 56.100 -0.086 0.000 1.516 658 R CB 0.665 30.916 30.300 -0.081 0.000 1.187 658 R HN 0.230 nan 8.270 nan 0.000 0.609 659 G N 1.411 110.119 108.800 -0.153 0.000 2.422 659 G HA2 -0.243 3.717 3.960 0.001 0.000 0.218 659 G HA3 -0.243 3.717 3.960 0.001 0.000 0.218 659 G C 0.929 175.656 174.900 -0.288 0.000 1.146 659 G CA 0.534 45.498 45.100 -0.228 0.000 0.769 659 G HN 0.427 nan 8.290 nan 0.000 0.547 660 D N 0.223 120.472 120.400 -0.252 0.000 2.144 660 D HA -0.083 4.557 4.640 0.001 0.000 0.200 660 D C 2.582 178.691 176.300 -0.319 0.000 0.978 660 D CA 0.801 54.646 54.000 -0.259 0.000 0.833 660 D CB 0.036 40.720 40.800 -0.193 0.000 0.961 660 D HN 0.147 nan 8.370 nan 0.000 0.470 661 R N 1.366 121.658 120.500 -0.346 0.000 2.075 661 R HA -0.036 4.304 4.340 0.001 0.000 0.232 661 R C 2.082 177.954 176.300 -0.714 0.000 1.126 661 R CA 1.581 57.348 56.100 -0.555 0.000 0.963 661 R CB -0.734 29.302 30.300 -0.439 0.000 0.858 661 R HN 0.052 nan 8.270 nan 0.000 0.435 662 A N 0.065 122.651 122.820 -0.390 0.000 1.883 662 A HA -0.190 4.130 4.320 0.001 0.000 0.217 662 A C 2.135 179.547 177.584 -0.288 0.000 1.186 662 A CA 1.895 53.802 52.037 -0.218 0.000 0.624 662 A CB -0.559 18.380 19.000 -0.102 0.000 0.822 662 A HN 0.417 nan 8.150 nan 0.000 0.444 663 M N -0.251 119.157 119.600 -0.319 0.000 2.296 663 M HA -0.030 4.450 4.480 0.001 0.000 0.265 663 M C 1.876 178.080 176.300 -0.160 0.000 1.064 663 M CA 1.812 56.961 55.300 -0.253 0.000 1.109 663 M CB -0.406 32.032 32.600 -0.270 0.000 1.396 663 M HN 0.463 nan 8.290 nan 0.000 0.430 664 K N -0.826 119.417 120.400 -0.262 0.000 2.057 664 K HA -0.158 4.163 4.320 0.001 0.000 0.207 664 K C 1.612 178.243 176.600 0.052 0.000 1.049 664 K CA 1.509 57.677 56.287 -0.199 0.000 0.931 664 K CB -0.174 32.056 32.500 -0.449 0.000 0.714 664 K HN 0.240 nan 8.250 nan 0.000 0.440 665 F N 0.097 120.040 119.950 -0.011 0.000 2.146 665 F HA -0.139 4.388 4.527 0.001 0.000 0.298 665 F C 2.367 178.192 175.800 0.042 0.000 1.096 665 F CA 0.674 58.789 58.000 0.191 0.000 1.275 665 F CB -1.377 37.824 39.000 0.334 0.000 1.008 665 F HN 0.113 nan 8.300 nan 0.000 0.480 666 Y N 1.443 121.518 120.300 -0.375 0.000 2.128 666 Y HA -0.257 4.293 4.550 0.001 0.000 0.284 666 Y C 2.199 177.989 175.900 -0.184 0.000 1.154 666 Y CA 1.995 59.649 58.100 -0.744 0.000 1.149 666 Y CB -0.595 37.285 38.460 -0.966 0.000 0.976 666 Y HN -0.030 nan 8.280 nan 0.000 0.505 667 D N 0.077 120.456 120.400 -0.035 0.000 2.149 667 D HA -0.180 4.461 4.640 0.001 0.000 0.198 667 D C 2.237 178.534 176.300 -0.006 0.000 0.990 667 D CA 1.418 55.411 54.000 -0.012 0.000 0.839 667 D CB -0.545 40.303 40.800 0.080 0.000 0.948 667 D HN 0.509 nan 8.370 nan 0.000 0.460 668 A N 0.245 123.132 122.820 0.111 0.000 1.930 668 A HA -0.089 4.231 4.320 0.001 0.000 0.217 668 A C 2.121 179.741 177.584 0.060 0.000 1.175 668 A CA 0.826 52.938 52.037 0.125 0.000 0.627 668 A CB -0.398 18.788 19.000 0.310 0.000 0.815 668 A HN 0.235 nan 8.150 nan 0.000 0.443 669 L N -0.471 120.810 121.223 0.096 0.000 2.416 669 L HA 0.195 4.535 4.340 0.001 0.000 0.216 669 L C 0.648 177.540 176.870 0.038 0.000 1.098 669 L CA 0.219 55.140 54.840 0.136 0.000 0.840 669 L CB -0.350 41.915 42.059 0.344 0.000 0.981 669 L HN 0.325 nan 8.230 nan 0.000 0.462 670 N N 0.661 119.262 118.700 -0.164 0.000 2.417 670 N HA -0.040 4.700 4.740 0.001 0.000 0.272 670 N C -1.785 173.597 175.510 -0.214 0.000 1.304 670 N CA -1.073 51.797 53.050 -0.300 0.000 0.906 670 N CB 1.068 39.288 38.487 -0.444 0.000 1.135 670 N HN 0.054 nan 8.380 nan 0.000 0.483 671 P HA -0.158 nan 4.420 nan 0.000 0.216 671 P C 0.963 178.184 177.300 -0.132 0.000 1.150 671 P CA 1.065 63.988 63.100 -0.294 0.000 0.843 671 P CB -0.093 31.317 31.700 -0.484 0.000 0.787 672 Y N 1.040 121.209 120.300 -0.219 0.000 2.151 672 Y HA -0.256 4.294 4.550 0.001 0.000 0.284 672 Y C 1.703 177.551 175.900 -0.087 0.000 1.166 672 Y CA 1.694 59.680 58.100 -0.190 0.000 1.163 672 Y CB -0.831 37.394 38.460 -0.393 0.000 0.974 672 Y HN -0.071 nan 8.280 nan 0.000 0.511 673 N N 0.359 119.097 118.700 0.063 0.000 2.550 673 N HA -0.105 4.636 4.740 0.001 0.000 0.186 673 N C 0.611 176.090 175.510 -0.052 0.000 1.110 673 N CA 1.052 54.109 53.050 0.012 0.000 0.912 673 N CB -0.129 38.390 38.487 0.052 0.000 0.968 673 N HN 0.644 nan 8.380 nan 0.000 0.448 674 Q N -0.266 119.494 119.800 -0.066 0.000 2.188 674 Q HA 0.188 4.528 4.340 0.001 0.000 0.212 674 Q C 1.059 177.040 176.000 -0.033 0.000 0.846 674 Q CA -0.296 55.478 55.803 -0.048 0.000 0.989 674 Q CB 0.233 28.942 28.738 -0.049 0.000 1.114 674 Q HN 0.301 nan 8.270 nan 0.000 0.488 675 N N 1.268 119.944 118.700 -0.040 0.000 2.272 675 N HA -0.183 4.558 4.740 0.001 0.000 0.185 675 N C 0.431 175.992 175.510 0.086 0.000 1.014 675 N CA 1.183 54.256 53.050 0.038 0.000 0.870 675 N CB 0.268 38.787 38.487 0.054 0.000 0.975 675 N HN 0.158 nan 8.380 nan 0.000 0.433 676 D N -0.077 120.346 120.400 0.039 0.000 2.559 676 D HA 0.118 4.758 4.640 0.001 0.000 0.234 676 D C 0.451 176.777 176.300 0.044 0.000 1.226 676 D CA -0.214 53.812 54.000 0.042 0.000 0.830 676 D CB -0.108 40.698 40.800 0.011 0.000 1.028 676 D HN 0.500 nan 8.370 nan 0.000 0.492 677 I N -2.910 117.698 120.570 0.063 0.000 3.376 677 I HA 0.230 4.400 4.170 0.001 0.000 0.326 677 I C 0.504 176.682 176.117 0.102 0.000 1.538 677 I CA -0.437 60.904 61.300 0.069 0.000 0.989 677 I CB 0.347 38.381 38.000 0.056 0.000 1.413 677 I HN -0.254 nan 8.210 nan 0.000 0.547 678 I N 2.635 123.301 120.570 0.160 0.000 2.335 678 I HA -0.224 3.947 4.170 0.001 0.000 0.251 678 I C 2.836 179.053 176.117 0.166 0.000 1.129 678 I CA 1.497 62.930 61.300 0.222 0.000 1.402 678 I CB -1.091 37.173 38.000 0.440 0.000 1.069 678 I HN 0.627 nan 8.210 nan 0.000 0.424 679 E N 1.808 122.098 120.200 0.151 0.000 2.267 679 E HA -0.237 4.114 4.350 0.001 0.000 0.197 679 E C 1.657 178.291 176.600 0.057 0.000 0.998 679 E CA 1.304 57.767 56.400 0.105 0.000 0.830 679 E CB -0.222 29.528 29.700 0.084 0.000 0.751 679 E HN 0.517 nan 8.360 nan 0.000 0.491 680 K N 0.031 120.462 120.400 0.052 0.000 2.262 680 K HA 0.134 4.455 4.320 0.001 0.000 0.200 680 K C 2.456 179.025 176.600 -0.052 0.000 1.058 680 K CA 0.215 56.507 56.287 0.008 0.000 0.974 680 K CB 0.218 32.753 32.500 0.059 0.000 0.910 680 K HN -0.042 nan 8.250 nan 0.000 0.484 681 R N 1.030 121.520 120.500 -0.016 0.000 2.073 681 R HA -0.092 4.248 4.340 0.001 0.000 0.229 681 R C 0.993 177.249 176.300 -0.072 0.000 1.120 681 R CA 1.501 57.557 56.100 -0.073 0.000 0.967 681 R CB 0.082 30.354 30.300 -0.046 0.000 0.862 681 R HN 0.123 nan 8.270 nan 0.000 0.436 682 I N -1.802 118.777 120.570 0.014 0.000 4.519 682 I HA -0.366 3.804 4.170 0.001 0.000 0.056 682 I C 0.821 177.033 176.117 0.159 0.000 0.610 682 I CA 1.664 62.998 61.300 0.057 0.000 0.951 682 I CB -2.390 35.605 38.000 -0.007 0.000 0.858 682 I HN 0.345 nan 8.210 nan 0.000 0.164 683 A N 1.489 124.298 122.820 -0.019 0.000 2.346 683 A HA 0.350 4.670 4.320 0.001 0.000 0.252 683 A C 0.504 177.731 177.584 -0.595 0.000 1.089 683 A CA 0.002 51.944 52.037 -0.159 0.000 0.797 683 A CB -0.047 18.802 19.000 -0.251 0.000 1.047 683 A HN 0.377 nan 8.150 nan 0.000 0.494 684 E N 1.358 120.838 120.200 -1.199 0.000 2.652 684 E HA 0.037 4.387 4.350 0.001 0.000 0.255 684 E C -1.695 173.992 176.600 -1.523 0.000 0.952 684 E CA -0.320 54.821 56.400 -2.098 0.000 0.947 684 E CB 0.287 28.678 29.700 -2.182 0.000 0.912 684 E HN 0.406 nan 8.360 nan 0.000 0.489 685 P HA -0.094 nan 4.420 nan 0.000 0.245 685 P C -0.218 176.743 177.300 -0.565 0.000 1.212 685 P CA 0.753 63.385 63.100 -0.781 0.000 0.774 685 P CB 0.031 31.427 31.700 -0.507 0.000 0.999 686 Y N -2.908 116.912 120.300 -0.799 0.000 2.481 686 Y HA 0.597 5.147 4.550 0.001 0.000 0.247 686 Y C 0.522 176.088 175.900 -0.557 0.000 1.151 686 Y CA -1.115 56.615 58.100 -0.615 0.000 1.238 686 Y CB -0.293 37.461 38.460 -1.178 0.000 1.179 686 Y HN -0.211 nan 8.280 nan 0.000 0.524 687 S N -0.045 115.165 115.700 -0.817 0.000 2.538 687 S HA 0.501 4.972 4.470 0.001 0.000 0.288 687 S C -1.336 172.921 174.600 -0.572 0.000 1.108 687 S CA -0.587 57.180 58.200 -0.721 0.000 0.971 687 S CB 0.554 63.129 63.200 -1.042 0.000 1.041 687 S HN 0.190 nan 8.310 nan 0.000 0.483 688 Y N 2.176 122.300 120.300 -0.294 0.000 2.326 688 Y HA 0.410 4.960 4.550 0.001 0.000 0.333 688 Y C 0.828 176.591 175.900 -0.228 0.000 1.240 688 Y CA 0.013 57.992 58.100 -0.201 0.000 1.365 688 Y CB 0.853 39.254 38.460 -0.100 0.000 1.289 688 Y HN 0.516 nan 8.280 nan 0.000 0.548 689 V N 0.116 120.005 119.914 -0.043 0.000 3.113 689 V HA 0.375 4.495 4.120 0.001 0.000 0.316 689 V C 0.665 176.677 176.094 -0.137 0.000 1.125 689 V CA -0.903 61.320 62.300 -0.128 0.000 1.026 689 V CB 1.824 33.501 31.823 -0.243 0.000 1.080 689 V HN 0.873 nan 8.190 nan 0.000 0.444 690 Q N 0.846 120.550 119.800 -0.160 0.000 2.050 690 Q HA 0.046 4.387 4.340 0.001 0.000 0.202 690 Q C 0.179 175.927 176.000 -0.420 0.000 0.980 690 Q CA 2.249 57.918 55.803 -0.224 0.000 0.840 690 Q CB 0.092 28.800 28.738 -0.049 0.000 0.898 690 Q HN 0.884 nan 8.270 nan 0.000 0.424 691 F N -2.105 117.514 119.950 -0.552 0.000 2.693 691 F HA 0.574 5.102 4.527 0.001 0.000 0.309 691 F C -1.719 173.874 175.800 -0.346 0.000 1.129 691 F CA -1.526 56.165 58.000 -0.515 0.000 0.948 691 F CB 0.922 39.544 39.000 -0.631 0.000 1.315 691 F HN -0.217 nan 8.300 nan 0.000 0.447 692 I N 3.781 124.252 120.570 -0.166 0.000 2.474 692 I HA 0.356 4.527 4.170 0.001 0.000 0.294 692 I C -0.216 175.880 176.117 -0.035 0.000 1.005 692 I CA -0.941 60.212 61.300 -0.246 0.000 1.113 692 I CB 1.746 39.607 38.000 -0.232 0.000 1.289 692 I HN 0.529 nan 8.210 nan 0.000 0.436 693 M N 3.906 123.450 119.600 -0.095 0.000 2.261 693 M HA 0.124 4.604 4.480 0.001 0.000 0.350 693 M C 0.768 177.176 176.300 0.180 0.000 1.343 693 M CA 0.345 55.675 55.300 0.052 0.000 1.003 693 M CB -0.509 32.056 32.600 -0.057 0.000 1.848 693 M HN 0.801 nan 8.290 nan 0.000 0.456 694 G N 2.286 111.222 108.800 0.228 0.000 2.616 694 G HA2 0.257 4.217 3.960 0.001 0.000 0.268 694 G HA3 0.257 4.217 3.960 0.001 0.000 0.268 694 G C 0.796 175.760 174.900 0.107 0.000 1.213 694 G CA -0.450 44.821 45.100 0.285 0.000 0.926 694 G HN 0.820 nan 8.290 nan 0.000 0.523 695 R N -0.602 119.812 120.500 -0.145 0.000 2.170 695 R HA -0.088 4.252 4.340 0.001 0.000 0.242 695 R C 1.442 177.617 176.300 -0.209 0.000 1.145 695 R CA 1.882 57.624 56.100 -0.597 0.000 0.984 695 R CB -0.193 29.833 30.300 -0.457 0.000 0.869 695 R HN 0.527 nan 8.270 nan 0.000 0.455 696 D N -0.880 119.476 120.400 -0.074 0.000 2.355 696 D HA -0.072 4.568 4.640 0.001 0.000 0.218 696 D C -0.128 176.194 176.300 0.036 0.000 1.004 696 D CA 0.539 54.525 54.000 -0.024 0.000 0.880 696 D CB -0.063 40.728 40.800 -0.014 0.000 0.911 696 D HN 0.326 nan 8.370 nan 0.000 0.528 697 H N 1.230 120.303 119.070 0.006 0.000 2.472 697 H HA 0.094 4.650 4.556 0.001 0.000 0.338 697 H C 1.089 176.433 175.328 0.027 0.000 1.133 697 H CA -0.167 55.893 56.048 0.019 0.000 1.216 697 H CB 1.529 31.320 29.762 0.048 0.000 1.497 697 H HN -0.057 nan 8.280 nan 0.000 0.500 698 Q N 2.017 121.628 119.800 -0.315 0.000 2.364 698 Q HA -0.087 4.253 4.340 0.001 0.000 0.209 698 Q C -0.259 175.801 176.000 0.100 0.000 0.977 698 Q CA 1.321 57.068 55.803 -0.093 0.000 0.885 698 Q CB 0.283 28.915 28.738 -0.176 0.000 0.941 698 Q HN 0.433 nan 8.270 nan 0.000 0.464 699 D N 0.598 121.218 120.400 0.366 0.000 2.388 699 D HA 0.012 4.652 4.640 0.001 0.000 0.221 699 D C -0.498 175.866 176.300 0.107 0.000 1.133 699 D CA -0.182 53.950 54.000 0.219 0.000 0.831 699 D CB -0.257 40.655 40.800 0.187 0.000 0.962 699 D HN 0.313 nan 8.370 nan 0.000 0.502 700 H N 0.619 119.713 119.070 0.039 0.000 3.223 700 H HA 0.112 4.669 4.556 0.001 0.000 0.287 700 H C 1.531 176.654 175.328 -0.343 0.000 0.910 700 H CA 1.568 57.565 56.048 -0.085 0.000 1.406 700 H CB 0.030 29.798 29.762 0.010 0.000 1.377 700 H HN 0.312 nan 8.280 nan 0.000 0.556 701 G N 3.774 112.027 108.800 -0.911 0.000 2.307 701 G HA2 -0.251 3.709 3.960 0.001 0.000 0.210 701 G HA3 -0.251 3.709 3.960 0.001 0.000 0.210 701 G C 0.606 175.074 174.900 -0.721 0.000 1.005 701 G CA -0.029 44.150 45.100 -1.534 0.000 0.634 701 G HN 0.858 nan 8.290 nan 0.000 0.496 702 R N 1.543 121.795 120.500 -0.412 0.000 2.401 702 R HA 0.586 4.926 4.340 0.001 0.000 0.299 702 R C 0.539 176.630 176.300 -0.348 0.000 1.064 702 R CA 0.529 56.455 56.100 -0.290 0.000 1.000 702 R CB 0.327 30.507 30.300 -0.200 0.000 0.973 702 R HN 0.607 nan 8.270 nan 0.000 0.438 703 A N 4.727 127.355 122.820 -0.320 0.000 2.309 703 A HA 0.317 4.637 4.320 0.001 0.000 0.298 703 A C -0.943 176.381 177.584 -0.434 0.000 1.165 703 A CA -0.702 51.109 52.037 -0.377 0.000 0.821 703 A CB 0.570 19.390 19.000 -0.298 0.000 1.102 703 A HN 0.938 nan 8.150 nan 0.000 0.500 704 N N 0.705 118.997 118.700 -0.680 0.000 2.296 704 N HA 0.575 5.315 4.740 0.001 0.000 0.294 704 N C -1.481 173.676 175.510 -0.588 0.000 1.033 704 N CA -0.720 51.883 53.050 -0.745 0.000 0.839 704 N CB 1.000 38.661 38.487 -1.376 0.000 1.395 704 N HN 0.824 nan 8.380 nan 0.000 0.479 705 H N -1.405 117.544 119.070 -0.202 0.000 3.113 705 H HA -0.120 4.437 4.556 0.001 0.000 0.358 705 H C -2.591 172.696 175.328 -0.068 0.000 1.239 705 H CA -0.725 55.276 56.048 -0.078 0.000 1.199 705 H CB -1.191 28.546 29.762 -0.042 0.000 1.577 705 H HN 0.441 nan 8.280 nan 0.000 0.430 706 P HA -0.089 nan 4.420 nan 0.000 0.277 706 P C 0.677 178.074 177.300 0.162 0.000 1.276 706 P CA 0.103 63.190 63.100 -0.023 0.000 0.788 706 P CB 1.008 32.633 31.700 -0.126 0.000 1.114 707 W N -2.256 118.998 121.300 -0.078 0.000 1.577 707 W HA -0.286 4.374 4.660 0.001 0.000 0.285 707 W C 0.976 177.429 176.519 -0.111 0.000 1.832 707 W CA 0.857 58.145 57.345 -0.095 0.000 2.205 707 W CB -2.191 27.235 29.460 -0.057 0.000 0.979 707 W HN 0.150 nan 8.180 nan 0.000 0.446 708 L N 1.896 123.234 121.223 0.193 0.000 2.437 708 L HA 0.358 4.698 4.340 0.001 0.000 0.243 708 L C 0.518 177.407 176.870 0.031 0.000 1.346 708 L CA 0.697 55.567 54.840 0.050 0.000 1.233 708 L CB -0.837 41.218 42.059 -0.007 0.000 1.436 708 L HN 0.043 nan 8.230 nan 0.000 0.416 709 T N -1.199 113.383 114.554 0.046 0.000 2.893 709 T HA 0.438 4.788 4.350 0.001 0.000 0.293 709 T C 1.166 175.926 174.700 0.100 0.000 1.027 709 T CA -0.114 62.025 62.100 0.065 0.000 0.988 709 T CB 1.953 70.852 68.868 0.051 0.000 1.043 709 T HN 0.408 nan 8.240 nan 0.000 0.461 710 G N 1.959 110.886 108.800 0.211 0.000 2.625 710 G HA2 -0.057 3.903 3.960 0.001 0.000 0.214 710 G HA3 -0.057 3.903 3.960 0.001 0.000 0.214 710 G C 1.246 176.248 174.900 0.171 0.000 1.132 710 G CA 1.143 46.436 45.100 0.321 0.000 0.782 710 G HN 0.802 nan 8.290 nan 0.000 0.538 711 T N 1.481 116.072 114.554 0.062 0.000 2.759 711 T HA -0.197 4.153 4.350 0.001 0.000 0.269 711 T C 2.894 177.445 174.700 -0.247 0.000 1.042 711 T CA 1.813 63.791 62.100 -0.202 0.000 1.140 711 T CB -0.302 68.432 68.868 -0.224 0.000 0.864 711 T HN 0.572 nan 8.240 nan 0.000 0.455 712 S N 1.502 117.156 115.700 -0.077 0.000 2.356 712 S HA -0.037 4.433 4.470 0.001 0.000 0.223 712 S C 2.438 177.090 174.600 0.086 0.000 1.032 712 S CA 1.240 59.459 58.200 0.032 0.000 1.005 712 S CB -1.265 62.007 63.200 0.120 0.000 0.867 712 S HN 0.515 nan 8.310 nan 0.000 0.449 713 G N 0.066 108.903 108.800 0.060 0.000 2.418 713 G HA2 -0.168 3.792 3.960 0.001 0.000 0.217 713 G HA3 -0.168 3.792 3.960 0.001 0.000 0.217 713 G C 1.142 176.078 174.900 0.061 0.000 1.158 713 G CA 0.622 45.747 45.100 0.042 0.000 0.771 713 G HN 0.618 nan 8.290 nan 0.000 0.545 714 W N 0.936 122.233 121.300 -0.006 0.000 2.388 714 W HA 0.187 4.848 4.660 0.001 0.000 0.294 714 W C 2.994 179.530 176.519 0.029 0.000 1.212 714 W CA 0.983 58.342 57.345 0.023 0.000 1.271 714 W CB 0.105 29.434 29.460 -0.218 0.000 1.126 714 W HN 0.273 nan 8.180 nan 0.000 0.535 715 A N -0.929 121.966 122.820 0.125 0.000 1.898 715 A HA -0.266 4.054 4.320 0.001 0.000 0.216 715 A C 1.658 179.490 177.584 0.414 0.000 1.181 715 A CA 1.607 53.769 52.037 0.209 0.000 0.620 715 A CB -1.380 17.595 19.000 -0.042 0.000 0.819 715 A HN 0.437 nan 8.150 nan 0.000 0.442 716 Y N -1.028 119.405 120.300 0.221 0.000 2.145 716 Y HA -0.208 4.342 4.550 0.001 0.000 0.286 716 Y C 2.046 178.025 175.900 0.132 0.000 1.145 716 Y CA 2.036 60.231 58.100 0.160 0.000 1.148 716 Y CB -0.510 38.022 38.460 0.121 0.000 0.981 716 Y HN 0.348 nan 8.280 nan 0.000 0.507 717 F N 0.338 120.354 119.950 0.110 0.000 2.102 717 F HA -0.159 4.368 4.527 0.001 0.000 0.298 717 F C 2.327 178.221 175.800 0.156 0.000 1.105 717 F CA 1.509 59.530 58.000 0.034 0.000 1.239 717 F CB -1.050 37.905 39.000 -0.075 0.000 0.991 717 F HN 0.072 nan 8.300 nan 0.000 0.474 718 A N -0.217 122.775 122.820 0.287 0.000 1.877 718 A HA -0.132 4.188 4.320 0.001 0.000 0.216 718 A C 2.341 180.052 177.584 0.212 0.000 1.186 718 A CA 2.197 54.439 52.037 0.341 0.000 0.620 718 A CB -1.370 17.934 19.000 0.506 0.000 0.822 718 A HN 0.263 nan 8.150 nan 0.000 0.443 719 V N 0.513 120.501 119.914 0.124 0.000 2.307 719 V HA -0.225 3.895 4.120 0.001 0.000 0.245 719 V C 3.029 178.965 176.094 -0.263 0.000 1.045 719 V CA 2.469 64.706 62.300 -0.104 0.000 1.024 719 V CB -1.508 30.202 31.823 -0.188 0.000 0.651 719 V HN 0.837 nan 8.190 nan 0.000 0.449 720 T N -1.720 112.551 114.554 -0.471 0.000 2.777 720 T HA -0.191 4.160 4.350 0.001 0.000 0.266 720 T C 1.594 176.084 174.700 -0.349 0.000 1.040 720 T CA 1.876 63.613 62.100 -0.605 0.000 1.141 720 T CB -0.507 67.593 68.868 -1.279 0.000 0.868 720 T HN 0.526 nan 8.240 nan 0.000 0.444 721 N N -0.528 117.894 118.700 -0.463 0.000 2.405 721 N HA 0.107 4.847 4.740 0.001 0.000 0.175 721 N C 0.928 175.921 175.510 -0.862 0.000 1.051 721 N CA 0.703 53.343 53.050 -0.684 0.000 0.899 721 N CB 0.225 38.063 38.487 -1.082 0.000 1.000 721 N HN 0.465 nan 8.380 nan 0.000 0.451 722 Y N 0.154 120.321 120.300 -0.222 0.000 2.673 722 Y HA 0.308 4.859 4.550 0.001 0.000 0.278 722 Y C 2.009 177.844 175.900 -0.109 0.000 1.127 722 Y CA -0.299 57.722 58.100 -0.132 0.000 1.261 722 Y CB 0.113 38.516 38.460 -0.094 0.000 1.412 722 Y HN -0.143 nan 8.280 nan 0.000 0.496 723 I N 0.071 120.638 120.570 -0.004 0.000 2.193 723 I HA -0.235 3.935 4.170 0.001 0.000 0.240 723 I C 1.699 177.700 176.117 -0.194 0.000 1.084 723 I CA 1.531 62.747 61.300 -0.139 0.000 1.365 723 I CB -0.296 37.556 38.000 -0.246 0.000 1.064 723 I HN 0.165 nan 8.210 nan 0.000 0.410 724 L N 0.423 121.523 121.223 -0.206 0.000 2.395 724 L HA 0.104 4.445 4.340 0.001 0.000 0.218 724 L C 1.539 178.444 176.870 0.059 0.000 1.130 724 L CA 0.622 55.356 54.840 -0.177 0.000 0.826 724 L CB -0.747 41.244 42.059 -0.113 0.000 0.941 724 L HN 0.527 nan 8.230 nan 0.000 0.451 725 G N 0.924 109.687 108.800 -0.062 0.000 2.225 725 G HA2 -0.255 3.706 3.960 0.001 0.000 0.267 725 G HA3 -0.255 3.706 3.960 0.001 0.000 0.267 725 G C 0.112 174.934 174.900 -0.130 0.000 1.024 725 G CA 0.215 45.249 45.100 -0.110 0.000 0.784 725 G HN 0.164 nan 8.290 nan 0.000 0.507 726 V N 0.522 120.369 119.914 -0.111 0.000 2.348 726 V HA 0.493 4.613 4.120 0.001 0.000 0.270 726 V C 0.342 176.293 176.094 -0.238 0.000 1.037 726 V CA -0.043 62.184 62.300 -0.122 0.000 0.872 726 V CB 1.395 33.231 31.823 0.023 0.000 1.002 726 V HN 0.463 nan 8.190 nan 0.000 0.464 727 Q N 2.899 122.509 119.800 -0.317 0.000 2.292 727 Q HA 0.453 4.793 4.340 0.001 0.000 0.270 727 Q C -0.239 175.470 176.000 -0.484 0.000 1.024 727 Q CA -0.466 55.120 55.803 -0.361 0.000 0.768 727 Q CB 2.447 30.980 28.738 -0.342 0.000 1.250 727 Q HN 0.863 nan 8.270 nan 0.000 0.447 728 S N 0.758 116.132 115.700 -0.544 0.000 2.585 728 S HA 0.748 5.219 4.470 0.001 0.000 0.273 728 S C 0.298 174.580 174.600 -0.530 0.000 1.339 728 S CA -0.256 57.431 58.200 -0.855 0.000 1.028 728 S CB 1.324 64.073 63.200 -0.751 0.000 0.906 728 S HN 0.683 nan 8.310 nan 0.000 0.528 729 G N -0.144 108.368 108.800 -0.482 0.000 2.798 729 G HA2 0.590 4.551 3.960 0.001 0.000 0.286 729 G HA3 0.590 4.551 3.960 0.001 0.000 0.286 729 G C -0.387 174.385 174.900 -0.214 0.000 1.389 729 G CA -0.958 43.927 45.100 -0.358 0.000 0.894 729 G HN 0.503 nan 8.290 nan 0.000 0.488 730 F N -0.017 119.817 119.950 -0.193 0.000 2.234 730 F HA 0.043 4.571 4.527 0.001 0.000 0.299 730 F C 2.866 178.492 175.800 -0.290 0.000 1.087 730 F CA 1.852 59.574 58.000 -0.464 0.000 1.340 730 F CB -0.024 38.232 39.000 -1.240 0.000 1.031 730 F HN 0.477 nan 8.300 nan 0.000 0.500 731 T N -3.968 110.627 114.554 0.067 0.000 2.975 731 T HA 0.611 4.961 4.350 0.001 0.000 0.257 731 T C 0.726 175.555 174.700 0.215 0.000 1.003 731 T CA 0.336 62.536 62.100 0.168 0.000 0.932 731 T CB 0.310 69.285 68.868 0.179 0.000 1.087 731 T HN 0.230 nan 8.240 nan 0.000 0.512 732 G N 0.787 109.702 108.800 0.191 0.000 2.506 732 G HA2 0.515 4.475 3.960 0.001 0.000 0.292 732 G HA3 0.515 4.475 3.960 0.001 0.000 0.292 732 G C -2.376 172.361 174.900 -0.272 0.000 1.425 732 G CA -0.946 44.248 45.100 0.158 0.000 0.788 732 G HN 0.340 nan 8.290 nan 0.000 0.490 733 L N 1.123 122.078 121.223 -0.448 0.000 2.275 733 L HA 0.777 5.117 4.340 0.001 0.000 0.288 733 L C 0.492 177.115 176.870 -0.412 0.000 1.046 733 L CA -0.435 53.946 54.840 -0.765 0.000 0.805 733 L CB 1.589 43.077 42.059 -0.952 0.000 1.193 733 L HN 0.592 nan 8.230 nan 0.000 0.426 734 S N 4.007 119.483 115.700 -0.373 0.000 2.525 734 S HA 0.781 5.251 4.470 0.001 0.000 0.290 734 S C -0.985 173.489 174.600 -0.209 0.000 1.152 734 S CA -0.574 57.485 58.200 -0.234 0.000 1.072 734 S CB 1.165 64.248 63.200 -0.194 0.000 1.027 734 S HN 0.455 nan 8.310 nan 0.000 0.500 735 V N 4.568 124.398 119.914 -0.140 0.000 2.419 735 V HA 0.465 4.586 4.120 0.001 0.000 0.287 735 V C -1.014 175.045 176.094 -0.059 0.000 1.017 735 V CA -0.614 61.628 62.300 -0.097 0.000 0.844 735 V CB 1.391 33.163 31.823 -0.085 0.000 1.011 735 V HN 0.930 nan 8.190 nan 0.000 0.429 736 D N 5.727 126.099 120.400 -0.046 0.000 2.586 736 D HA 0.403 5.044 4.640 0.001 0.000 0.254 736 D C -2.796 173.508 176.300 0.007 0.000 1.248 736 D CA -1.286 52.702 54.000 -0.020 0.000 0.843 736 D CB 1.928 42.709 40.800 -0.031 0.000 1.332 736 D HN 0.269 nan 8.370 nan 0.000 0.523 737 P HA 0.210 nan 4.420 nan 0.000 0.272 737 P C -0.544 176.780 177.300 0.041 0.000 1.230 737 P CA -0.581 62.581 63.100 0.104 0.000 0.788 737 P CB 0.996 32.892 31.700 0.328 0.000 0.949 738 C N 4.805 124.095 119.300 -0.018 0.000 2.654 738 C HA 0.661 5.122 4.460 0.001 0.000 0.315 738 C C -0.318 174.554 174.990 -0.196 0.000 1.054 738 C CA -0.398 58.578 59.018 -0.069 0.000 1.419 738 C CB -1.852 25.864 27.740 -0.041 0.000 1.889 738 C HN 0.558 nan 8.230 nan 0.000 0.447 739 I N 2.260 122.680 120.570 -0.250 0.000 3.170 739 I HA 0.763 4.933 4.170 0.001 0.000 0.312 739 I C -2.769 173.027 176.117 -0.536 0.000 1.085 739 I CA -3.043 57.913 61.300 -0.573 0.000 0.999 739 I CB 1.411 39.048 38.000 -0.605 0.000 1.233 739 I HN 0.171 nan 8.210 nan 0.000 0.467 740 P HA 0.054 nan 4.420 nan 0.000 0.268 740 P C 0.626 177.797 177.300 -0.216 0.000 1.205 740 P CA 0.010 62.816 63.100 -0.491 0.000 0.771 740 P CB 0.872 32.234 31.700 -0.563 0.000 0.858 741 S N 1.647 117.297 115.700 -0.082 0.000 2.419 741 S HA -0.219 4.252 4.470 0.001 0.000 0.235 741 S C 1.185 175.894 174.600 0.183 0.000 1.019 741 S CA 1.679 59.906 58.200 0.045 0.000 0.982 741 S CB -1.073 62.139 63.200 0.019 0.000 0.789 741 S HN 0.552 nan 8.310 nan 0.000 0.490 742 D N -1.052 119.426 120.400 0.130 0.000 2.363 742 D HA -0.003 4.637 4.640 0.001 0.000 0.220 742 D C -0.161 176.376 176.300 0.395 0.000 0.994 742 D CA -0.250 53.830 54.000 0.133 0.000 0.890 742 D CB -0.600 40.230 40.800 0.050 0.000 0.906 742 D HN 0.443 nan 8.370 nan 0.000 0.530 743 W N 1.891 123.285 121.300 0.157 0.000 2.303 743 W HA 0.240 4.900 4.660 0.001 0.000 0.318 743 W C -1.417 175.212 176.519 0.184 0.000 1.362 743 W CA -2.430 55.003 57.345 0.146 0.000 1.234 743 W CB 0.636 30.166 29.460 0.116 0.000 1.248 743 W HN -0.031 nan 8.180 nan 0.000 0.546 744 P HA 0.091 nan 4.420 nan 0.000 0.231 744 P C 0.482 177.818 177.300 0.060 0.000 1.168 744 P CA 1.218 64.395 63.100 0.129 0.000 0.779 744 P CB 1.056 32.816 31.700 0.100 0.000 0.844 745 G N -0.250 108.641 108.800 0.151 0.000 2.356 745 G HA2 0.374 4.335 3.960 0.001 0.000 0.288 745 G HA3 0.374 4.335 3.960 0.001 0.000 0.288 745 G C -1.842 173.169 174.900 0.185 0.000 1.302 745 G CA -0.642 44.527 45.100 0.115 0.000 0.887 745 G HN 0.214 nan 8.290 nan 0.000 0.521 746 F N -1.934 118.025 119.950 0.016 0.000 2.773 746 F HA 0.882 5.409 4.527 0.001 0.000 0.314 746 F C -1.209 174.578 175.800 -0.021 0.000 1.160 746 F CA -1.258 56.718 58.000 -0.041 0.000 0.920 746 F CB 1.268 40.275 39.000 0.011 0.000 1.323 746 F HN 0.632 nan 8.300 nan 0.000 0.457 747 E N 1.005 121.329 120.200 0.208 0.000 2.293 747 E HA 0.730 5.081 4.350 0.001 0.000 0.270 747 E C -1.727 174.973 176.600 0.167 0.000 0.879 747 E CA -1.228 55.218 56.400 0.078 0.000 0.756 747 E CB 3.205 32.918 29.700 0.022 0.000 1.208 747 E HN 0.537 nan 8.360 nan 0.000 0.428 748 V N 1.714 121.664 119.914 0.060 0.000 2.760 748 V HA 0.379 4.500 4.120 0.001 0.000 0.309 748 V C -0.688 175.322 176.094 -0.141 0.000 1.077 748 V CA -0.684 61.569 62.300 -0.077 0.000 0.910 748 V CB 2.457 34.189 31.823 -0.151 0.000 1.008 748 V HN 0.709 nan 8.190 nan 0.000 0.424 749 T N 4.520 118.955 114.554 -0.199 0.000 2.756 749 T HA 0.580 4.930 4.350 0.001 0.000 0.290 749 T C -0.408 174.135 174.700 -0.261 0.000 0.985 749 T CA -0.425 61.591 62.100 -0.141 0.000 0.955 749 T CB 0.861 69.725 68.868 -0.006 0.000 0.930 749 T HN 0.550 nan 8.240 nan 0.000 0.451 750 R N 2.758 123.139 120.500 -0.198 0.000 2.513 750 R HA 0.478 4.818 4.340 0.001 0.000 0.301 750 R C -1.022 175.350 176.300 0.121 0.000 0.968 750 R CA -0.734 55.309 56.100 -0.096 0.000 0.872 750 R CB 1.159 31.377 30.300 -0.136 0.000 1.177 750 R HN 0.433 nan 8.270 nan 0.000 0.444 751 Q N 3.702 123.617 119.800 0.192 0.000 2.303 751 Q HA 0.447 4.787 4.340 0.001 0.000 0.257 751 Q C -1.861 174.374 176.000 0.392 0.000 0.941 751 Q CA -0.306 55.638 55.803 0.234 0.000 0.931 751 Q CB 0.864 29.701 28.738 0.166 0.000 1.215 751 Q HN 0.634 nan 8.270 nan 0.000 0.437 752 W N 5.339 126.768 121.300 0.215 0.000 2.968 752 W HA 0.440 5.100 4.660 0.001 0.000 0.337 752 W C -0.651 175.961 176.519 0.154 0.000 1.060 752 W CA -0.901 56.546 57.345 0.169 0.000 1.240 752 W CB 1.011 30.532 29.460 0.102 0.000 1.370 752 W HN 0.824 nan 8.180 nan 0.000 0.459 753 R N 4.448 124.796 120.500 -0.254 0.000 3.322 753 R HA -0.189 4.152 4.340 0.001 0.000 0.253 753 R C 1.112 177.293 176.300 -0.198 0.000 0.987 753 R CA 1.465 57.335 56.100 -0.384 0.000 0.666 753 R CB -1.598 28.215 30.300 -0.810 0.000 1.072 753 R HN 1.506 nan 8.270 nan 0.000 0.447 754 G N -2.238 106.514 108.800 -0.080 0.000 2.179 754 G HA2 -0.288 3.672 3.960 0.001 0.000 0.260 754 G HA3 -0.288 3.672 3.960 0.001 0.000 0.260 754 G C 0.114 174.978 174.900 -0.060 0.000 0.977 754 G CA 0.306 45.369 45.100 -0.062 0.000 0.641 754 G HN 0.946 nan 8.290 nan 0.000 0.533 755 A N -0.683 122.109 122.820 -0.046 0.000 2.380 755 A HA 0.902 5.222 4.320 0.001 0.000 0.315 755 A C 0.040 177.511 177.584 -0.189 0.000 1.101 755 A CA 0.402 52.354 52.037 -0.142 0.000 0.771 755 A CB 1.452 20.330 19.000 -0.202 0.000 1.287 755 A HN 0.706 nan 8.150 nan 0.000 0.436 756 T N 1.222 115.559 114.554 -0.362 0.000 2.824 756 T HA 0.564 4.915 4.350 0.001 0.000 0.280 756 T C -1.401 172.864 174.700 -0.724 0.000 0.995 756 T CA 0.254 62.121 62.100 -0.389 0.000 1.009 756 T CB 0.389 69.071 68.868 -0.310 0.000 0.955 756 T HN 0.368 nan 8.240 nan 0.000 0.452 757 Y N 2.066 122.197 120.300 -0.282 0.000 2.338 757 Y HA 0.283 4.834 4.550 0.001 0.000 0.328 757 Y C 0.579 176.268 175.900 -0.350 0.000 0.965 757 Y CA -1.017 56.949 58.100 -0.223 0.000 1.208 757 Y CB 0.826 39.238 38.460 -0.079 0.000 1.132 757 Y HN 0.631 nan 8.280 nan 0.000 0.469 758 H N 5.460 124.557 119.070 0.046 0.000 2.908 758 H HA 0.325 4.881 4.556 0.001 0.000 0.269 758 H C -0.286 175.041 175.328 -0.003 0.000 1.303 758 H CA -0.163 55.886 56.048 0.002 0.000 1.341 758 H CB 0.366 30.116 29.762 -0.021 0.000 1.519 758 H HN 0.613 nan 8.280 nan 0.000 0.505 759 I N 2.634 123.226 120.570 0.036 0.000 2.371 759 I HA 0.109 4.280 4.170 0.001 0.000 0.290 759 I C 0.529 176.601 176.117 -0.075 0.000 1.028 759 I CA -0.075 61.212 61.300 -0.022 0.000 1.345 759 I CB 1.029 38.995 38.000 -0.057 0.000 1.407 759 I HN 0.352 nan 8.210 nan 0.000 0.501 760 Q N 6.037 125.771 119.800 -0.109 0.000 2.325 760 Q HA 0.508 4.849 4.340 0.001 0.000 0.270 760 Q C -1.722 174.123 176.000 -0.258 0.000 1.020 760 Q CA -0.626 55.078 55.803 -0.165 0.000 0.785 760 Q CB 2.145 30.826 28.738 -0.096 0.000 1.259 760 Q HN 0.525 nan 8.270 nan 0.000 0.452 761 V N 4.208 123.849 119.914 -0.455 0.000 2.398 761 V HA 0.365 4.485 4.120 0.001 0.000 0.286 761 V C -0.567 175.341 176.094 -0.310 0.000 1.026 761 V CA -0.508 61.494 62.300 -0.497 0.000 0.868 761 V CB 1.632 32.830 31.823 -1.043 0.000 0.982 761 V HN 0.807 nan 8.190 nan 0.000 0.443 762 E N 3.406 123.495 120.200 -0.186 0.000 2.171 762 E HA 0.387 4.738 4.350 0.001 0.000 0.271 762 E C -0.511 176.030 176.600 -0.099 0.000 0.916 762 E CA -0.495 55.832 56.400 -0.122 0.000 0.774 762 E CB 1.551 31.191 29.700 -0.100 0.000 1.128 762 E HN 0.572 nan 8.360 nan 0.000 0.403 763 N N 3.583 122.224 118.700 -0.098 0.000 2.757 763 N HA 0.171 4.911 4.740 0.001 0.000 0.296 763 N C -2.005 173.337 175.510 -0.280 0.000 1.874 763 N CA -2.062 50.915 53.050 -0.122 0.000 0.885 763 N CB 0.699 39.167 38.487 -0.031 0.000 1.242 763 N HN 0.274 nan 8.380 nan 0.000 0.488 764 P HA -0.058 nan 4.420 nan 0.000 0.218 764 P C -0.079 177.098 177.300 -0.204 0.000 1.149 764 P CA 1.169 64.142 63.100 -0.212 0.000 0.817 764 P CB 0.489 32.126 31.700 -0.104 0.000 0.785 765 D N -1.870 118.452 120.400 -0.130 0.000 2.339 765 D HA -0.020 4.621 4.640 0.001 0.000 0.217 765 D C 0.099 176.423 176.300 0.040 0.000 1.050 765 D CA 0.082 54.063 54.000 -0.031 0.000 0.856 765 D CB -0.650 40.144 40.800 -0.010 0.000 0.922 765 D HN 0.271 nan 8.370 nan 0.000 0.518 766 H N -0.186 118.898 119.070 0.025 0.000 2.591 766 H HA -0.139 4.417 4.556 0.001 0.000 0.325 766 H C 0.423 175.760 175.328 0.016 0.000 1.096 766 H CA 0.483 56.550 56.048 0.032 0.000 1.108 766 H CB -1.949 27.831 29.762 0.031 0.000 1.590 766 H HN 0.104 nan 8.280 nan 0.000 0.399 767 V N -2.943 117.018 119.914 0.078 0.000 3.406 767 V HA 0.631 4.751 4.120 0.001 0.000 0.305 767 V C 1.146 177.257 176.094 0.028 0.000 1.136 767 V CA 0.109 62.435 62.300 0.042 0.000 1.011 767 V CB 1.993 33.827 31.823 0.017 0.000 1.221 767 V HN 0.245 nan 8.190 nan 0.000 0.454 768 S N -0.762 114.935 115.700 -0.005 0.000 2.545 768 S HA 0.335 4.806 4.470 0.001 0.000 0.232 768 S C 0.507 175.088 174.600 -0.031 0.000 1.070 768 S CA 0.427 58.602 58.200 -0.040 0.000 0.923 768 S CB -0.144 63.014 63.200 -0.070 0.000 0.806 768 S HN 0.852 nan 8.310 nan 0.000 0.506 769 K N -0.686 119.705 120.400 -0.014 0.000 2.532 769 K HA 0.528 4.848 4.320 0.001 0.000 0.265 769 K C -1.606 174.994 176.600 0.001 0.000 0.948 769 K CA -0.077 56.208 56.287 -0.004 0.000 0.842 769 K CB 1.679 34.175 32.500 -0.007 0.000 1.392 769 K HN 0.326 nan 8.250 nan 0.000 0.436 770 G N 1.304 110.106 108.800 0.003 0.000 3.305 770 G HA2 0.002 3.962 3.960 0.001 0.000 0.649 770 G HA3 0.002 3.962 3.960 0.001 0.000 0.649 770 G C -1.544 173.353 174.900 -0.005 0.000 1.255 770 G CA -0.760 44.340 45.100 0.000 0.000 1.137 770 G HN 0.366 nan 8.290 nan 0.000 0.535 771 V N 3.807 123.717 119.914 -0.007 0.000 2.406 771 V HA 0.363 4.484 4.120 0.001 0.000 0.272 771 V C 1.617 177.703 176.094 -0.014 0.000 1.043 771 V CA 0.369 62.660 62.300 -0.015 0.000 0.915 771 V CB 1.499 33.310 31.823 -0.019 0.000 0.988 771 V HN 0.895 nan 8.190 nan 0.000 0.466 772 K N 3.384 123.773 120.400 -0.018 0.000 2.137 772 K HA 0.071 4.392 4.320 0.001 0.000 0.202 772 K C 0.653 177.244 176.600 -0.016 0.000 1.052 772 K CA 1.074 57.352 56.287 -0.015 0.000 0.961 772 K CB 0.368 32.857 32.500 -0.018 0.000 0.741 772 K HN 0.818 nan 8.250 nan 0.000 0.452 773 S N -0.667 115.020 115.700 -0.021 0.000 2.565 773 S HA 0.527 4.998 4.470 0.001 0.000 0.269 773 S C -0.891 173.694 174.600 -0.025 0.000 1.153 773 S CA -1.113 57.075 58.200 -0.019 0.000 0.835 773 S CB 1.470 64.659 63.200 -0.018 0.000 1.122 773 S HN 0.094 nan 8.310 nan 0.000 0.462 774 I N 1.824 122.383 120.570 -0.019 0.000 2.571 774 I HA 0.489 4.659 4.170 0.001 0.000 0.289 774 I C -0.719 175.393 176.117 -0.008 0.000 1.115 774 I CA -0.516 60.772 61.300 -0.020 0.000 1.045 774 I CB 2.681 40.668 38.000 -0.021 0.000 1.238 774 I HN 0.955 nan 8.210 nan 0.000 0.424 775 T N 3.762 118.312 114.554 -0.006 0.000 2.824 775 T HA 0.669 5.020 4.350 0.001 0.000 0.282 775 T C -0.936 173.775 174.700 0.019 0.000 0.993 775 T CA -0.711 61.392 62.100 0.005 0.000 0.967 775 T CB 2.014 70.882 68.868 -0.001 0.000 0.960 775 T HN 0.322 nan 8.240 nan 0.000 0.441 776 L N 3.944 125.185 121.223 0.032 0.000 2.280 776 L HA 0.520 4.860 4.340 0.001 0.000 0.287 776 L C 0.091 176.987 176.870 0.043 0.000 1.023 776 L CA 0.274 55.146 54.840 0.053 0.000 0.819 776 L CB 0.148 42.250 42.059 0.071 0.000 1.212 776 L HN 0.857 nan 8.230 nan 0.000 0.420 777 N N 4.473 123.197 118.700 0.041 0.000 2.727 777 N HA -0.223 4.517 4.740 0.001 0.000 0.249 777 N C 0.983 176.503 175.510 0.017 0.000 1.048 777 N CA 1.225 54.292 53.050 0.027 0.000 0.714 777 N CB -1.178 37.325 38.487 0.027 0.000 0.959 777 N HN 1.222 nan 8.380 nan 0.000 0.544 778 G N -2.236 106.571 108.800 0.013 0.000 2.199 778 G HA2 -0.162 3.799 3.960 0.001 0.000 0.254 778 G HA3 -0.162 3.799 3.960 0.001 0.000 0.254 778 G C 0.137 175.042 174.900 0.007 0.000 0.982 778 G CA 0.758 45.862 45.100 0.006 0.000 0.632 778 G HN 1.226 nan 8.290 nan 0.000 0.529 779 A N 1.549 124.377 122.820 0.013 0.000 2.288 779 A HA 0.800 5.120 4.320 0.001 0.000 0.320 779 A C -1.849 175.743 177.584 0.014 0.000 1.217 779 A CA -1.327 50.718 52.037 0.013 0.000 0.840 779 A CB 1.474 20.485 19.000 0.017 0.000 1.179 779 A HN 0.202 nan 8.150 nan 0.000 0.504 780 P HA 0.330 nan 4.420 nan 0.000 0.268 780 P C -0.570 176.737 177.300 0.012 0.000 1.205 780 P CA 0.415 63.520 63.100 0.008 0.000 0.771 780 P CB 0.646 32.349 31.700 0.004 0.000 0.858 781 I N -0.309 120.268 120.570 0.012 0.000 3.042 781 I HA 0.534 4.705 4.170 0.001 0.000 0.310 781 I C -0.887 175.236 176.117 0.011 0.000 1.117 781 I CA -1.435 59.875 61.300 0.016 0.000 1.003 781 I CB 2.515 40.530 38.000 0.024 0.000 1.228 781 I HN 0.280 nan 8.210 nan 0.000 0.443 782 Q N 3.209 123.017 119.800 0.014 0.000 2.327 782 Q HA 0.744 5.085 4.340 0.001 0.000 0.270 782 Q C -0.167 175.841 176.000 0.012 0.000 1.022 782 Q CA -0.508 55.302 55.803 0.011 0.000 0.773 782 Q CB 1.943 30.688 28.738 0.013 0.000 1.251 782 Q HN 1.360 nan 8.270 nan 0.000 0.457 783 G N 2.174 110.977 108.800 0.005 0.000 2.428 783 G HA2 -0.179 3.781 3.960 0.001 0.000 0.202 783 G HA3 -0.179 3.781 3.960 0.001 0.000 0.202 783 G C -0.888 174.005 174.900 -0.011 0.000 1.247 783 G CA -0.909 44.192 45.100 0.002 0.000 1.020 783 G HN 0.673 nan 8.290 nan 0.000 0.529 784 R N -0.651 119.841 120.500 -0.014 0.000 2.679 784 R HA 0.477 4.817 4.340 0.001 0.000 0.269 784 R C 0.325 176.617 176.300 -0.012 0.000 1.076 784 R CA -0.216 55.859 56.100 -0.041 0.000 1.160 784 R CB 0.381 30.651 30.300 -0.051 0.000 1.054 784 R HN 0.425 nan 8.270 nan 0.000 0.507 785 I N 3.574 124.120 120.570 -0.040 0.000 2.337 785 I HA 0.157 4.327 4.170 0.001 0.000 0.291 785 I C -1.993 174.194 176.117 0.116 0.000 1.046 785 I CA -2.187 59.128 61.300 0.024 0.000 1.324 785 I CB 1.064 39.048 38.000 -0.027 0.000 1.409 785 I HN 0.209 nan 8.210 nan 0.000 0.494 786 P HA 0.077 nan 4.420 nan 0.000 0.268 786 P C -2.378 175.080 177.300 0.264 0.000 1.205 786 P CA -1.048 62.165 63.100 0.189 0.000 0.771 786 P CB -0.162 31.616 31.700 0.130 0.000 0.858 787 P HA -0.022 nan 4.420 nan 0.000 0.266 787 P C -0.442 176.916 177.300 0.097 0.000 1.215 787 P CA 0.311 63.456 63.100 0.076 0.000 0.763 787 P CB 0.503 32.017 31.700 -0.311 0.000 0.806 788 Q N 1.830 121.742 119.800 0.187 0.000 2.237 788 Q HA 0.473 4.813 4.340 0.001 0.000 0.219 788 Q C 0.475 176.467 176.000 -0.014 0.000 0.999 788 Q CA -0.660 55.189 55.803 0.076 0.000 0.959 788 Q CB 0.528 29.295 28.738 0.048 0.000 1.173 788 Q HN 0.543 nan 8.270 nan 0.000 0.527 789 A N 1.339 124.143 122.820 -0.027 0.000 2.520 789 A HA 0.022 4.343 4.320 0.001 0.000 0.235 789 A C 0.174 177.720 177.584 -0.064 0.000 1.065 789 A CA -0.256 51.755 52.037 -0.042 0.000 0.764 789 A CB 0.081 19.062 19.000 -0.031 0.000 1.002 789 A HN 0.492 nan 8.150 nan 0.000 0.502 790 Q N 0.191 119.953 119.800 -0.062 0.000 2.286 790 Q HA 0.253 4.594 4.340 0.001 0.000 0.290 790 Q C 1.325 177.290 176.000 -0.058 0.000 1.049 790 Q CA 1.590 57.353 55.803 -0.065 0.000 0.923 790 Q CB 0.413 29.118 28.738 -0.055 0.000 1.183 790 Q HN 1.714 nan 8.270 nan 0.000 0.383 791 G N 2.116 110.878 108.800 -0.063 0.000 2.205 791 G HA2 -0.329 3.632 3.960 0.001 0.000 0.261 791 G HA3 -0.329 3.632 3.960 0.001 0.000 0.261 791 G C 0.324 175.187 174.900 -0.063 0.000 0.980 791 G CA 0.531 45.599 45.100 -0.054 0.000 0.632 791 G HN 0.802 nan 8.290 nan 0.000 0.533 792 S N 0.177 115.825 115.700 -0.086 0.000 2.585 792 S HA 0.525 4.995 4.470 0.001 0.000 0.273 792 S C -0.485 174.035 174.600 -0.133 0.000 1.339 792 S CA -0.137 58.006 58.200 -0.094 0.000 1.028 792 S CB 1.891 65.032 63.200 -0.099 0.000 0.906 792 S HN 0.235 nan 8.310 nan 0.000 0.528 793 D N 2.008 122.361 120.400 -0.080 0.000 2.425 793 D HA 0.345 4.986 4.640 0.001 0.000 0.240 793 D C -0.837 175.452 176.300 -0.019 0.000 1.080 793 D CA -0.424 53.560 54.000 -0.026 0.000 0.836 793 D CB 1.201 42.058 40.800 0.095 0.000 1.125 793 D HN 0.554 nan 8.370 nan 0.000 0.525 794 N N 2.091 120.741 118.700 -0.083 0.000 2.342 794 N HA 0.164 4.904 4.740 0.001 0.000 0.293 794 N C -0.466 175.101 175.510 0.094 0.000 1.026 794 N CA -0.634 52.400 53.050 -0.027 0.000 0.857 794 N CB 2.401 40.817 38.487 -0.118 0.000 1.256 794 N HN 0.256 nan 8.380 nan 0.000 0.484 795 Q N 1.489 121.344 119.800 0.092 0.000 2.296 795 Q HA 0.371 4.711 4.340 0.001 0.000 0.257 795 Q C -0.687 175.360 176.000 0.078 0.000 0.942 795 Q CA -0.410 55.450 55.803 0.094 0.000 0.939 795 Q CB 1.845 30.610 28.738 0.044 0.000 1.198 795 Q HN 0.336 nan 8.270 nan 0.000 0.429 796 V N 3.575 123.536 119.914 0.077 0.000 2.407 796 V HA 0.383 4.504 4.120 0.001 0.000 0.291 796 V C -0.234 175.860 176.094 -0.001 0.000 1.018 796 V CA -0.746 61.584 62.300 0.050 0.000 0.842 796 V CB 1.991 33.856 31.823 0.070 0.000 0.996 796 V HN 0.424 nan 8.190 nan 0.000 0.426 797 V N 5.869 125.774 119.914 -0.016 0.000 2.357 797 V HA 0.480 4.601 4.120 0.001 0.000 0.284 797 V C -0.191 175.868 176.094 -0.058 0.000 1.018 797 V CA -0.554 61.718 62.300 -0.046 0.000 0.841 797 V CB 1.873 33.673 31.823 -0.037 0.000 0.991 797 V HN 0.601 nan 8.190 nan 0.000 0.437 798 V N 5.935 125.793 119.914 -0.094 0.000 2.384 798 V HA 0.459 4.579 4.120 0.001 0.000 0.287 798 V C -0.170 175.864 176.094 -0.099 0.000 1.020 798 V CA -0.579 61.666 62.300 -0.093 0.000 0.850 798 V CB 1.944 33.698 31.823 -0.114 0.000 0.987 798 V HN 0.601 nan 8.190 nan 0.000 0.436 799 V N 6.573 126.445 119.914 -0.070 0.000 2.370 799 V HA 0.443 4.563 4.120 0.001 0.000 0.283 799 V C 0.076 176.139 176.094 -0.051 0.000 1.023 799 V CA -0.493 61.769 62.300 -0.065 0.000 0.857 799 V CB 1.506 33.298 31.823 -0.051 0.000 0.985 799 V HN 0.629 nan 8.190 nan 0.000 0.443 800 L N 4.416 125.608 121.223 -0.051 0.000 2.418 800 L HA 0.911 5.251 4.340 0.001 0.000 0.265 800 L C 0.830 177.682 176.870 -0.029 0.000 1.143 800 L CA 0.171 54.992 54.840 -0.032 0.000 0.809 800 L CB 1.252 43.300 42.059 -0.018 0.000 1.124 800 L HN 0.853 nan 8.230 nan 0.000 0.456 801 G N 0.000 108.790 108.800 -0.017 0.000 5.446 801 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 801 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 801 G CA 0.000 45.092 45.100 -0.014 0.000 0.502 801 G HN 0.000 nan 8.290 nan 0.000 0.925