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 2qjk_1_P DATA FIRST_RESID 3 DATA SEQUENCE GIPHDHYEPR TGIEKWLHSR LPIVALAYDT IMIPTPRNLN WMWIWGVVLA DATA SEQUENCE FCLVLQIVTG IVLAMHYTPH VDLAFASVEH IMRNVNGGFM LRYLHANGAS DATA SEQUENCE LFFIAVYLHI FRGLYYGSYK APREVTWIVG MLIYLAMMAT AFMGYVLPWG DATA SEQUENCE QMSFWGATVI TGLFGAIPGI GHSIQTWLLG GPAVDNATLN RFFSLHYLLP DATA SEQUENCE FVIAALVAIH IWAFHSTGNN NPTGVEVRRT SKAEAQKDTV PFWPYFIIKD DATA SEQUENCE VFALAVVLLV FFAIVGFMPN YLGHPDNYIE ANPLRTPAHI VPEWYFLPFY DATA SEQUENCE AILRAFTADV WVVQIANFIS FGIIDAKFFG VLAMFGAILV MALVPWLDTS DATA SEQUENCE PVRSGRYRPM FKIYFWLLAA DFVILTWVGA QQTTFPYDWI SLIASAYWFA DATA SEQUENCE YFLVILPILG AIEKPVAPPA TIEEDFNA 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 3 G C 0.000 174.947 174.900 0.078 0.000 0.946 3 G CA 0.000 45.150 45.100 0.084 0.000 0.502 4 I N 2.969 123.605 120.570 0.110 0.000 2.662 4 I HA 0.432 4.602 4.170 0.000 0.000 0.291 4 I C -2.193 173.976 176.117 0.086 0.000 1.046 4 I CA -1.755 59.603 61.300 0.097 0.000 1.361 4 I CB 1.204 39.269 38.000 0.108 0.000 1.429 4 I HN 0.058 nan 8.210 nan 0.000 0.558 5 P HA 0.313 nan 4.420 nan 0.000 0.282 5 P C -1.452 175.838 177.300 -0.016 0.000 1.262 5 P CA -0.007 63.049 63.100 -0.073 0.000 0.773 5 P CB 0.547 32.221 31.700 -0.044 0.000 0.879 6 H N -0.849 118.250 119.070 0.049 0.000 2.942 6 H HA 0.719 5.275 4.556 -0.000 0.000 0.316 6 H C -1.514 173.859 175.328 0.074 0.000 1.323 6 H CA -1.247 54.848 56.048 0.079 0.000 1.144 6 H CB 0.376 30.203 29.762 0.108 0.000 1.866 6 H HN 0.195 nan 8.280 nan 0.000 0.545 7 D N -1.043 119.578 120.400 0.368 0.000 2.375 7 D HA 0.241 4.881 4.640 0.000 0.000 0.247 7 D C -0.053 176.598 176.300 0.586 0.000 1.061 7 D CA -0.811 53.366 54.000 0.295 0.000 0.834 7 D CB 0.983 41.920 40.800 0.227 0.000 1.247 7 D HN 0.827 nan 8.370 nan 0.000 0.489 8 H N -0.619 118.698 119.070 0.413 0.000 2.534 8 H HA 0.254 4.810 4.556 -0.000 0.000 0.364 8 H C -0.388 175.025 175.328 0.141 0.000 1.328 8 H CA -1.232 55.075 56.048 0.433 0.000 1.415 8 H CB 0.363 30.320 29.762 0.324 0.000 1.573 8 H HN 0.480 nan 8.280 nan 0.000 0.601 9 Y N 0.827 121.029 120.300 -0.163 0.000 2.702 9 Y HA 0.055 4.605 4.550 -0.000 0.000 0.336 9 Y C -0.482 175.148 175.900 -0.450 0.000 1.235 9 Y CA -0.011 57.605 58.100 -0.806 0.000 1.492 9 Y CB 0.514 38.694 38.460 -0.467 0.000 1.308 9 Y HN 0.721 nan 8.280 nan 0.000 0.589 10 E N 7.217 126.806 120.200 -1.019 0.000 2.241 10 E HA 0.447 4.797 4.350 0.000 0.000 0.263 10 E C -2.891 173.107 176.600 -1.004 0.000 0.882 10 E CA -2.718 53.162 56.400 -0.867 0.000 0.769 10 E CB 1.407 30.868 29.700 -0.397 0.000 1.185 10 E HN 0.377 nan 8.360 nan 0.000 0.415 11 P HA 0.148 nan 4.420 nan 0.000 0.267 11 P C -0.077 177.061 177.300 -0.270 0.000 1.205 11 P CA -0.141 62.653 63.100 -0.509 0.000 0.765 11 P CB 0.911 32.383 31.700 -0.380 0.000 0.828 12 R N 0.844 121.258 120.500 -0.144 0.000 2.411 12 R HA 0.189 4.529 4.340 0.000 0.000 0.176 12 R C 0.529 176.813 176.300 -0.027 0.000 1.072 12 R CA 0.694 56.749 56.100 -0.076 0.000 1.132 12 R CB -1.020 29.251 30.300 -0.048 0.000 1.203 12 R HN 0.340 nan 8.270 nan 0.000 0.537 13 T N 0.511 115.069 114.554 0.006 0.000 2.795 13 T HA 0.152 4.502 4.350 0.000 0.000 0.314 13 T C 1.491 176.213 174.700 0.036 0.000 1.069 13 T CA 0.504 62.618 62.100 0.023 0.000 1.071 13 T CB 0.980 69.872 68.868 0.039 0.000 0.988 13 T HN 0.419 nan 8.240 nan 0.000 0.543 14 G N 0.487 109.308 108.800 0.035 0.000 2.421 14 G HA2 -0.128 3.832 3.960 0.000 0.000 0.216 14 G HA3 -0.128 3.832 3.960 0.000 0.000 0.216 14 G C 1.504 176.471 174.900 0.113 0.000 1.171 14 G CA 0.439 45.572 45.100 0.054 0.000 0.775 14 G HN 0.746 nan 8.290 nan 0.000 0.543 15 I N 0.636 121.259 120.570 0.087 0.000 2.185 15 I HA -0.241 3.929 4.170 0.000 0.000 0.246 15 I C 2.761 179.021 176.117 0.237 0.000 1.088 15 I CA 1.498 62.883 61.300 0.142 0.000 1.347 15 I CB -0.314 37.732 38.000 0.077 0.000 1.041 15 I HN 0.282 nan 8.210 nan 0.000 0.415 16 E N 1.060 121.362 120.200 0.170 0.000 2.017 16 E HA -0.235 4.115 4.350 0.000 0.000 0.193 16 E C 2.198 178.911 176.600 0.190 0.000 0.997 16 E CA 1.328 57.842 56.400 0.190 0.000 0.804 16 E CB -0.066 29.724 29.700 0.148 0.000 0.757 16 E HN 0.465 nan 8.360 nan 0.000 0.448 17 K N -0.152 120.322 120.400 0.123 0.000 2.152 17 K HA -0.200 4.120 4.320 0.000 0.000 0.206 17 K C 1.836 178.532 176.600 0.159 0.000 1.048 17 K CA 1.297 57.636 56.287 0.087 0.000 0.933 17 K CB -0.223 32.300 32.500 0.038 0.000 0.721 17 K HN 0.257 nan 8.250 nan 0.000 0.447 18 W N 1.529 122.849 121.300 0.035 0.000 2.407 18 W HA -0.140 4.520 4.660 -0.000 0.000 0.305 18 W C 1.815 178.362 176.519 0.047 0.000 1.196 18 W CA 0.753 58.117 57.345 0.032 0.000 1.311 18 W CB -0.370 29.101 29.460 0.019 0.000 1.135 18 W HN -0.049 nan 8.180 nan 0.000 0.514 19 L N 0.396 121.738 121.223 0.198 0.000 1.994 19 L HA -0.233 4.107 4.340 0.000 0.000 0.208 19 L C 2.790 179.632 176.870 -0.046 0.000 1.071 19 L CA 2.544 57.397 54.840 0.023 0.000 0.745 19 L CB -1.671 40.498 42.059 0.182 0.000 0.892 19 L HN 0.190 nan 8.230 nan 0.000 0.431 20 H N -0.552 118.513 119.070 -0.008 0.000 2.387 20 H HA -0.119 4.437 4.556 -0.000 0.000 0.299 20 H C 2.127 177.408 175.328 -0.079 0.000 1.099 20 H CA 1.711 57.755 56.048 -0.007 0.000 1.315 20 H CB 0.019 29.802 29.762 0.035 0.000 1.380 20 H HN 0.569 nan 8.280 nan 0.000 0.513 21 S N -0.107 115.642 115.700 0.082 0.000 2.507 21 S HA -0.023 4.447 4.470 0.000 0.000 0.235 21 S C 2.020 176.535 174.600 -0.141 0.000 0.988 21 S CA 0.650 58.850 58.200 0.000 0.000 0.944 21 S CB 0.105 63.276 63.200 -0.049 0.000 0.762 21 S HN 0.429 nan 8.310 nan 0.000 0.526 22 R N -0.551 119.802 120.500 -0.243 0.000 2.167 22 R HA 0.474 4.814 4.340 0.000 0.000 0.195 22 R C -0.515 175.651 176.300 -0.223 0.000 1.027 22 R CA 0.158 56.090 56.100 -0.280 0.000 1.114 22 R CB 0.120 30.143 30.300 -0.461 0.000 1.075 22 R HN 0.334 nan 8.270 nan 0.000 0.538 23 L N 2.520 123.608 121.223 -0.225 0.000 2.573 23 L HA 0.341 4.681 4.340 0.000 0.000 0.260 23 L C -2.552 174.194 176.870 -0.207 0.000 0.997 23 L CA -1.822 52.905 54.840 -0.189 0.000 0.890 23 L CB 1.994 43.965 42.059 -0.147 0.000 1.179 23 L HN -0.115 nan 8.230 nan 0.000 0.439 24 P HA -0.031 nan 4.420 nan 0.000 0.286 24 P C 1.333 178.509 177.300 -0.208 0.000 1.577 24 P CA 0.404 63.285 63.100 -0.366 0.000 0.805 24 P CB -0.071 31.326 31.700 -0.505 0.000 1.706 25 I N -0.309 120.165 120.570 -0.160 0.000 2.361 25 I HA -0.215 3.955 4.170 0.000 0.000 0.251 25 I C 1.767 177.788 176.117 -0.161 0.000 1.133 25 I CA 1.150 62.367 61.300 -0.138 0.000 1.413 25 I CB 0.202 38.138 38.000 -0.107 0.000 1.073 25 I HN -0.140 nan 8.210 nan 0.000 0.424 26 V N 1.280 121.081 119.914 -0.189 0.000 2.453 26 V HA -0.210 3.910 4.120 0.000 0.000 0.247 26 V C 2.743 178.502 176.094 -0.559 0.000 1.048 26 V CA 1.558 63.658 62.300 -0.334 0.000 1.049 26 V CB -1.241 30.380 31.823 -0.336 0.000 0.672 26 V HN 0.562 nan 8.190 nan 0.000 0.457 27 A N 0.308 122.870 122.820 -0.430 0.000 1.851 27 A HA -0.250 4.070 4.320 0.000 0.000 0.216 27 A C 2.199 179.752 177.584 -0.052 0.000 1.195 27 A CA 2.325 54.246 52.037 -0.194 0.000 0.622 27 A CB -0.782 18.303 19.000 0.142 0.000 0.831 27 A HN 0.421 nan 8.150 nan 0.000 0.444 28 L N -0.214 120.964 121.223 -0.076 0.000 1.978 28 L HA -0.251 4.089 4.340 0.000 0.000 0.218 28 L C 2.825 179.650 176.870 -0.074 0.000 1.075 28 L CA 2.715 57.512 54.840 -0.071 0.000 0.767 28 L CB -0.847 41.139 42.059 -0.121 0.000 0.890 28 L HN 0.424 nan 8.230 nan 0.000 0.434 29 A N -1.762 120.995 122.820 -0.106 0.000 1.927 29 A HA -0.340 3.980 4.320 0.000 0.000 0.220 29 A C 2.256 179.814 177.584 -0.043 0.000 1.185 29 A CA 2.229 54.212 52.037 -0.090 0.000 0.639 29 A CB -1.298 17.636 19.000 -0.111 0.000 0.820 29 A HN 0.704 nan 8.150 nan 0.000 0.451 30 Y N 1.285 121.478 120.300 -0.179 0.000 2.070 30 Y HA -0.243 4.307 4.550 0.000 0.000 0.279 30 Y C 1.977 177.881 175.900 0.008 0.000 1.134 30 Y CA 2.220 60.263 58.100 -0.095 0.000 1.113 30 Y CB -0.396 37.993 38.460 -0.117 0.000 0.981 30 Y HN 0.375 nan 8.280 nan 0.000 0.487 31 D N -0.733 119.717 120.400 0.085 0.000 2.228 31 D HA -0.183 4.457 4.640 0.000 0.000 0.203 31 D C 1.995 178.250 176.300 -0.075 0.000 0.988 31 D CA 1.881 55.863 54.000 -0.029 0.000 0.864 31 D CB -0.419 40.435 40.800 0.091 0.000 0.928 31 D HN 0.431 nan 8.370 nan 0.000 0.469 32 T N 0.335 114.843 114.554 -0.076 0.000 2.896 32 T HA -0.024 4.326 4.350 0.000 0.000 0.263 32 T C 1.769 176.511 174.700 0.071 0.000 1.050 32 T CA 0.117 62.160 62.100 -0.095 0.000 1.140 32 T CB 0.136 68.891 68.868 -0.188 0.000 0.877 32 T HN 0.027 nan 8.240 nan 0.000 0.457 33 I N 0.446 121.050 120.570 0.058 0.000 3.728 33 I HA 0.240 4.410 4.170 0.000 0.000 0.307 33 I C 1.371 177.651 176.117 0.272 0.000 1.276 33 I CA 0.536 61.983 61.300 0.245 0.000 1.285 33 I CB -0.034 38.059 38.000 0.155 0.000 1.038 33 I HN 0.107 nan 8.210 nan 0.000 0.445 34 M N -0.547 119.044 119.600 -0.014 0.000 2.514 34 M HA 0.267 4.747 4.480 0.000 0.000 0.258 34 M C 0.961 177.306 176.300 0.075 0.000 1.159 34 M CA -0.126 55.148 55.300 -0.044 0.000 1.116 34 M CB -0.137 32.115 32.600 -0.580 0.000 1.333 34 M HN -0.008 nan 8.290 nan 0.000 0.487 35 I N 4.978 125.569 120.570 0.036 0.000 3.248 35 I HA -0.121 4.049 4.170 0.000 0.000 0.344 35 I C -1.786 174.398 176.117 0.112 0.000 1.190 35 I CA -0.286 61.026 61.300 0.020 0.000 1.489 35 I CB 0.633 38.607 38.000 -0.043 0.000 1.285 35 I HN -0.010 nan 8.210 nan 0.000 0.516 36 P HA 0.098 nan 4.420 nan 0.000 0.271 36 P C -1.139 176.222 177.300 0.102 0.000 1.226 36 P CA -0.021 63.150 63.100 0.118 0.000 0.765 36 P CB 0.633 32.394 31.700 0.101 0.000 0.835 37 T N 5.326 119.984 114.554 0.173 0.000 2.848 37 T HA 0.380 4.730 4.350 0.000 0.000 0.285 37 T C -2.608 172.161 174.700 0.114 0.000 0.995 37 T CA -1.920 60.273 62.100 0.155 0.000 0.970 37 T CB 1.216 70.259 68.868 0.292 0.000 0.976 37 T HN 0.265 nan 8.240 nan 0.000 0.441 38 P HA -0.014 nan 4.420 nan 0.000 0.261 38 P C 0.476 177.699 177.300 -0.128 0.000 1.158 38 P CA 0.260 63.282 63.100 -0.131 0.000 0.758 38 P CB 0.805 32.385 31.700 -0.200 0.000 0.763 39 R N 2.919 123.216 120.500 -0.338 0.000 2.115 39 R HA -0.127 4.213 4.340 0.000 0.000 0.230 39 R C 1.894 177.909 176.300 -0.474 0.000 1.111 39 R CA 1.549 57.280 56.100 -0.615 0.000 0.976 39 R CB -0.534 28.905 30.300 -1.434 0.000 0.870 39 R HN 0.581 nan 8.270 nan 0.000 0.445 40 N N 1.633 120.124 118.700 -0.348 0.000 2.520 40 N HA -0.108 4.632 4.740 0.000 0.000 0.185 40 N C 0.267 175.600 175.510 -0.295 0.000 1.068 40 N CA 0.462 53.398 53.050 -0.190 0.000 0.911 40 N CB -0.397 38.021 38.487 -0.115 0.000 0.961 40 N HN 0.175 nan 8.380 nan 0.000 0.446 41 L N 2.029 122.995 121.223 -0.429 0.000 2.653 41 L HA -0.140 4.200 4.340 0.000 0.000 0.288 41 L C 0.699 177.309 176.870 -0.433 0.000 1.243 41 L CA 0.105 54.508 54.840 -0.728 0.000 0.906 41 L CB -0.393 41.198 42.059 -0.781 0.000 1.154 41 L HN 0.363 nan 8.230 nan 0.000 0.498 42 N N 1.483 119.948 118.700 -0.392 0.000 2.681 42 N HA 0.167 4.907 4.740 0.000 0.000 0.311 42 N C 0.254 175.806 175.510 0.071 0.000 1.303 42 N CA -0.667 52.279 53.050 -0.175 0.000 0.926 42 N CB 0.069 38.566 38.487 0.017 0.000 1.136 42 N HN 0.482 nan 8.380 nan 0.000 0.592 43 W N -1.236 120.195 121.300 0.219 0.000 2.632 43 W HA 0.076 4.736 4.660 -0.000 0.000 0.248 43 W C 1.129 177.800 176.519 0.254 0.000 1.259 43 W CA -0.177 57.282 57.345 0.189 0.000 1.288 43 W CB -0.005 29.554 29.460 0.165 0.000 1.136 43 W HN 0.286 nan 8.180 nan 0.000 0.640 44 M N -1.186 118.803 119.600 0.647 0.000 2.563 44 M HA -0.018 4.462 4.480 0.000 0.000 0.231 44 M C 0.804 177.388 176.300 0.473 0.000 1.136 44 M CA 0.586 56.270 55.300 0.639 0.000 1.026 44 M CB -0.823 32.101 32.600 0.541 0.000 1.597 44 M HN 0.311 nan 8.290 nan 0.000 0.495 45 W N 0.216 121.591 121.300 0.125 0.000 3.220 45 W HA 0.135 4.795 4.660 -0.000 0.000 0.328 45 W C 1.661 178.181 176.519 0.002 0.000 1.205 45 W CA 0.134 57.504 57.345 0.043 0.000 1.773 45 W CB 0.314 29.715 29.460 -0.098 0.000 1.086 45 W HN 0.228 nan 8.180 nan 0.000 0.622 46 I N -3.168 117.433 120.570 0.053 0.000 2.617 46 I HA -0.104 4.066 4.170 0.000 0.000 0.256 46 I C 1.849 177.807 176.117 -0.264 0.000 1.167 46 I CA 1.015 62.234 61.300 -0.134 0.000 1.469 46 I CB -0.793 37.036 38.000 -0.284 0.000 1.098 46 I HN -0.193 nan 8.210 nan 0.000 0.436 47 W N 2.357 123.747 121.300 0.151 0.000 2.325 47 W HA -0.093 4.567 4.660 -0.000 0.000 0.299 47 W C 2.724 179.211 176.519 -0.053 0.000 1.215 47 W CA 1.337 58.731 57.345 0.081 0.000 1.244 47 W CB -0.967 28.583 29.460 0.151 0.000 1.140 47 W HN 0.232 nan 8.180 nan 0.000 0.523 48 G N 0.271 109.120 108.800 0.082 0.000 2.476 48 G HA2 -0.308 3.652 3.960 0.000 0.000 0.218 48 G HA3 -0.308 3.652 3.960 0.000 0.000 0.218 48 G C 1.524 176.441 174.900 0.028 0.000 1.164 48 G CA 1.742 46.790 45.100 -0.087 0.000 0.768 48 G HN 0.188 nan 8.290 nan 0.000 0.560 49 V N 0.415 120.377 119.914 0.080 0.000 2.358 49 V HA -0.158 3.962 4.120 0.000 0.000 0.246 49 V C 3.118 179.266 176.094 0.091 0.000 1.047 49 V CA 1.533 63.899 62.300 0.110 0.000 1.035 49 V CB -0.141 31.759 31.823 0.128 0.000 0.658 49 V HN 0.262 nan 8.190 nan 0.000 0.452 50 V N -0.163 119.779 119.914 0.046 0.000 2.380 50 V HA -0.320 3.800 4.120 0.000 0.000 0.251 50 V C 2.261 178.421 176.094 0.111 0.000 1.063 50 V CA 2.084 64.423 62.300 0.065 0.000 1.055 50 V CB -0.702 31.197 31.823 0.127 0.000 0.657 50 V HN 0.444 nan 8.190 nan 0.000 0.455 51 L N -0.160 121.123 121.223 0.100 0.000 2.005 51 L HA -0.128 4.212 4.340 0.000 0.000 0.207 51 L C 2.814 179.666 176.870 -0.030 0.000 1.072 51 L CA 1.536 56.422 54.840 0.078 0.000 0.744 51 L CB -0.910 41.193 42.059 0.073 0.000 0.895 51 L HN 0.339 nan 8.230 nan 0.000 0.433 52 A N 0.316 123.158 122.820 0.036 0.000 1.882 52 A HA -0.368 3.952 4.320 0.000 0.000 0.220 52 A C 2.193 179.744 177.584 -0.055 0.000 1.253 52 A CA 2.451 54.503 52.037 0.025 0.000 0.664 52 A CB -1.339 17.723 19.000 0.104 0.000 0.838 52 A HN 0.435 nan 8.150 nan 0.000 0.460 53 F N 0.429 120.309 119.950 -0.116 0.000 2.063 53 F HA -0.332 4.195 4.527 0.000 0.000 0.298 53 F C 2.593 178.231 175.800 -0.269 0.000 1.109 53 F CA 1.930 59.847 58.000 -0.138 0.000 1.212 53 F CB -0.842 38.097 39.000 -0.103 0.000 0.973 53 F HN 0.348 nan 8.300 nan 0.000 0.480 54 C N 0.051 119.183 119.300 -0.280 0.000 2.398 54 C HA -0.203 4.257 4.460 0.000 0.000 0.276 54 C C 2.654 177.094 174.990 -0.918 0.000 1.222 54 C CA 1.101 59.713 59.018 -0.677 0.000 1.746 54 C CB -1.554 25.601 27.740 -0.974 0.000 2.039 54 C HN 0.667 nan 8.230 nan 0.000 0.470 55 L N 0.926 121.633 121.223 -0.860 0.000 1.971 55 L HA -0.134 4.206 4.340 0.000 0.000 0.215 55 L C 2.529 179.145 176.870 -0.423 0.000 1.072 55 L CA 2.048 56.530 54.840 -0.596 0.000 0.758 55 L CB -0.949 40.939 42.059 -0.285 0.000 0.889 55 L HN 0.235 nan 8.230 nan 0.000 0.433 56 V N -0.518 119.171 119.914 -0.376 0.000 2.233 56 V HA -0.305 3.815 4.120 0.000 0.000 0.247 56 V C 2.504 178.376 176.094 -0.371 0.000 1.050 56 V CA 1.803 63.911 62.300 -0.320 0.000 1.010 56 V CB -0.965 30.681 31.823 -0.295 0.000 0.637 56 V HN 0.564 nan 8.190 nan 0.000 0.444 57 L N 0.329 121.215 121.223 -0.561 0.000 1.991 57 L HA -0.273 4.067 4.340 0.000 0.000 0.221 57 L C 2.551 179.276 176.870 -0.241 0.000 1.079 57 L CA 2.174 56.739 54.840 -0.459 0.000 0.778 57 L CB -1.007 40.698 42.059 -0.591 0.000 0.893 57 L HN 0.305 nan 8.230 nan 0.000 0.437 58 Q N -0.252 119.379 119.800 -0.282 0.000 2.112 58 Q HA -0.203 4.137 4.340 0.000 0.000 0.206 58 Q C 2.387 178.347 176.000 -0.067 0.000 0.987 58 Q CA 2.459 58.182 55.803 -0.134 0.000 0.858 58 Q CB -0.500 28.077 28.738 -0.269 0.000 0.905 58 Q HN 0.693 nan 8.270 nan 0.000 0.420 59 I N 0.262 120.711 120.570 -0.202 0.000 2.252 59 I HA -0.214 3.956 4.170 0.000 0.000 0.245 59 I C 2.470 178.490 176.117 -0.162 0.000 1.102 59 I CA 1.113 62.270 61.300 -0.238 0.000 1.385 59 I CB -0.555 37.283 38.000 -0.271 0.000 1.064 59 I HN 0.090 nan 8.210 nan 0.000 0.414 60 V N -0.109 119.733 119.914 -0.120 0.000 2.270 60 V HA -0.228 3.892 4.120 0.000 0.000 0.245 60 V C 2.562 178.622 176.094 -0.056 0.000 1.043 60 V CA 2.346 64.604 62.300 -0.071 0.000 1.014 60 V CB -1.629 30.159 31.823 -0.058 0.000 0.645 60 V HN 0.561 nan 8.190 nan 0.000 0.447 61 T N -1.210 113.322 114.554 -0.036 0.000 2.803 61 T HA -0.053 4.297 4.350 0.000 0.000 0.269 61 T C 2.006 176.625 174.700 -0.135 0.000 1.052 61 T CA 1.708 63.797 62.100 -0.019 0.000 1.136 61 T CB -1.373 67.544 68.868 0.081 0.000 0.864 61 T HN 0.815 nan 8.240 nan 0.000 0.467 62 G N 2.011 110.698 108.800 -0.188 0.000 2.484 62 G HA2 -0.064 3.896 3.960 0.000 0.000 0.215 62 G HA3 -0.064 3.896 3.960 0.000 0.000 0.215 62 G C 1.526 176.282 174.900 -0.239 0.000 1.219 62 G CA 0.800 45.675 45.100 -0.374 0.000 0.791 62 G HN 0.546 nan 8.290 nan 0.000 0.550 63 I N 0.580 121.045 120.570 -0.176 0.000 2.145 63 I HA -0.246 3.924 4.170 0.000 0.000 0.244 63 I C 2.823 178.955 176.117 0.025 0.000 1.075 63 I CA 0.900 62.169 61.300 -0.052 0.000 1.332 63 I CB -0.596 37.414 38.000 0.017 0.000 1.033 63 I HN 0.040 nan 8.210 nan 0.000 0.410 64 V N 1.173 121.095 119.914 0.013 0.000 2.219 64 V HA -0.314 3.806 4.120 0.000 0.000 0.248 64 V C 2.468 178.645 176.094 0.138 0.000 1.053 64 V CA 2.050 64.393 62.300 0.073 0.000 1.009 64 V CB -0.623 31.231 31.823 0.052 0.000 0.636 64 V HN 0.358 nan 8.190 nan 0.000 0.445 65 L N 0.104 121.367 121.223 0.067 0.000 2.043 65 L HA -0.243 4.097 4.340 0.000 0.000 0.212 65 L C 2.682 179.666 176.870 0.189 0.000 1.075 65 L CA 1.735 56.642 54.840 0.112 0.000 0.752 65 L CB -0.807 41.214 42.059 -0.064 0.000 0.891 65 L HN 0.403 nan 8.230 nan 0.000 0.432 66 A N -0.356 122.555 122.820 0.151 0.000 2.032 66 A HA -0.242 4.078 4.320 0.000 0.000 0.221 66 A C 2.205 179.930 177.584 0.235 0.000 1.165 66 A CA 1.850 54.074 52.037 0.310 0.000 0.645 66 A CB -0.549 18.649 19.000 0.330 0.000 0.807 66 A HN 0.473 nan 8.150 nan 0.000 0.453 67 M N -1.396 118.244 119.600 0.067 0.000 2.619 67 M HA -0.008 4.472 4.480 0.000 0.000 0.251 67 M C 1.060 177.080 176.300 -0.465 0.000 1.106 67 M CA 0.851 56.039 55.300 -0.187 0.000 1.086 67 M CB -0.211 32.204 32.600 -0.309 0.000 1.465 67 M HN 0.470 nan 8.290 nan 0.000 0.506 68 H N -2.602 116.551 119.070 0.138 0.000 3.241 68 H HA 0.178 4.734 4.556 0.000 0.000 0.260 68 H C -0.337 175.063 175.328 0.121 0.000 1.084 68 H CA -0.213 55.914 56.048 0.131 0.000 1.203 68 H CB 0.406 30.267 29.762 0.165 0.000 1.524 68 H HN 0.236 nan 8.280 nan 0.000 0.521 69 Y N 2.473 122.822 120.300 0.081 0.000 2.309 69 Y HA 0.240 4.790 4.550 -0.000 0.000 0.327 69 Y C -0.151 175.661 175.900 -0.147 0.000 1.172 69 Y CA 0.139 58.238 58.100 -0.003 0.000 1.280 69 Y CB 1.045 39.523 38.460 0.029 0.000 1.234 69 Y HN -0.211 nan 8.280 nan 0.000 0.512 70 T N 8.717 122.652 114.554 -1.031 0.000 2.912 70 T HA 0.243 4.593 4.350 0.000 0.000 0.326 70 T C -2.817 171.220 174.700 -1.105 0.000 1.080 70 T CA -1.414 60.191 62.100 -0.824 0.000 1.000 70 T CB 0.933 69.507 68.868 -0.489 0.000 1.008 70 T HN 0.433 nan 8.240 nan 0.000 0.473 71 P HA 0.117 nan 4.420 nan 0.000 0.256 71 P C -0.681 176.454 177.300 -0.276 0.000 1.688 71 P CA 0.162 62.981 63.100 -0.469 0.000 1.162 71 P CB -0.167 31.250 31.700 -0.471 0.000 1.870 72 H N 3.455 122.245 119.070 -0.467 0.000 3.218 72 H HA 0.003 4.559 4.556 -0.000 0.000 0.300 72 H C 1.019 176.068 175.328 -0.464 0.000 1.304 72 H CA -0.238 55.559 56.048 -0.419 0.000 1.562 72 H CB 1.074 30.647 29.762 -0.314 0.000 2.216 72 H HN -0.005 nan 8.280 nan 0.000 0.371 73 V N 1.871 121.337 119.914 -0.747 0.000 2.295 73 V HA -0.396 3.724 4.120 0.000 0.000 0.261 73 V C 1.672 177.636 176.094 -0.215 0.000 1.097 73 V CA 2.594 64.444 62.300 -0.749 0.000 1.100 73 V CB -0.399 30.994 31.823 -0.716 0.000 0.737 73 V HN 0.644 nan 8.190 nan 0.000 0.458 74 D N 0.062 120.500 120.400 0.063 0.000 2.218 74 D HA -0.001 4.639 4.640 0.000 0.000 0.204 74 D C 2.003 178.318 176.300 0.024 0.000 0.976 74 D CA 2.035 56.087 54.000 0.086 0.000 0.853 74 D CB 0.027 40.907 40.800 0.133 0.000 0.939 74 D HN 0.597 nan 8.370 nan 0.000 0.481 75 L N -0.090 121.124 121.223 -0.014 0.000 2.435 75 L HA 0.225 4.565 4.340 0.000 0.000 0.195 75 L C 2.475 179.286 176.870 -0.098 0.000 1.072 75 L CA 0.489 55.272 54.840 -0.095 0.000 0.833 75 L CB -0.675 41.263 42.059 -0.202 0.000 1.081 75 L HN -0.153 nan 8.230 nan 0.000 0.485 76 A N 1.166 123.864 122.820 -0.204 0.000 1.853 76 A HA -0.403 3.917 4.320 0.000 0.000 0.255 76 A C 2.138 179.770 177.584 0.080 0.000 2.273 76 A CA 2.963 54.870 52.037 -0.217 0.000 0.797 76 A CB -1.526 17.369 19.000 -0.176 0.000 0.844 76 A HN 0.437 nan 8.150 nan 0.000 0.520 77 F N 0.456 120.441 119.950 0.058 0.000 2.075 77 F HA 0.036 4.563 4.527 -0.000 0.000 0.297 77 F C 2.678 178.536 175.800 0.097 0.000 1.113 77 F CA 1.477 59.554 58.000 0.129 0.000 1.218 77 F CB -0.848 38.242 39.000 0.150 0.000 0.984 77 F HN 0.343 nan 8.300 nan 0.000 0.472 78 A N -0.502 122.387 122.820 0.114 0.000 1.873 78 A HA -0.294 4.026 4.320 0.000 0.000 0.218 78 A C 2.387 179.957 177.584 -0.023 0.000 1.193 78 A CA 2.443 54.483 52.037 0.005 0.000 0.629 78 A CB -1.701 17.320 19.000 0.034 0.000 0.826 78 A HN 0.509 nan 8.150 nan 0.000 0.447 79 S N -0.709 114.967 115.700 -0.040 0.000 2.393 79 S HA -0.213 4.257 4.470 0.000 0.000 0.234 79 S C 1.851 176.502 174.600 0.085 0.000 1.064 79 S CA 2.289 60.462 58.200 -0.044 0.000 1.088 79 S CB -0.674 62.389 63.200 -0.228 0.000 0.939 79 S HN 0.383 nan 8.310 nan 0.000 0.448 80 V N 1.576 121.524 119.914 0.058 0.000 2.453 80 V HA -0.005 4.115 4.120 0.000 0.000 0.247 80 V C 2.834 178.908 176.094 -0.033 0.000 1.048 80 V CA 1.706 64.044 62.300 0.064 0.000 1.049 80 V CB -0.694 31.173 31.823 0.072 0.000 0.672 80 V HN 0.412 nan 8.190 nan 0.000 0.457 81 E N -0.133 119.983 120.200 -0.140 0.000 2.106 81 E HA -0.221 4.129 4.350 0.000 0.000 0.192 81 E C 2.069 178.645 176.600 -0.041 0.000 0.984 81 E CA 1.487 57.809 56.400 -0.131 0.000 0.806 81 E CB -0.329 29.252 29.700 -0.198 0.000 0.750 81 E HN 0.825 nan 8.360 nan 0.000 0.458 82 H N 1.079 120.105 119.070 -0.073 0.000 2.265 82 H HA -0.109 4.447 4.556 0.000 0.000 0.295 82 H C 2.148 177.452 175.328 -0.041 0.000 1.084 82 H CA 2.347 58.370 56.048 -0.043 0.000 1.261 82 H CB -0.450 29.295 29.762 -0.028 0.000 1.360 82 H HN 0.074 nan 8.280 nan 0.000 0.487 83 I N -0.172 120.345 120.570 -0.088 0.000 2.185 83 I HA -0.339 3.831 4.170 0.000 0.000 0.246 83 I C 2.251 178.264 176.117 -0.174 0.000 1.088 83 I CA 1.324 62.526 61.300 -0.162 0.000 1.347 83 I CB -0.369 37.625 38.000 -0.010 0.000 1.041 83 I HN 0.410 nan 8.210 nan 0.000 0.415 84 M N 0.244 119.778 119.600 -0.109 0.000 2.067 84 M HA -0.168 4.312 4.480 0.000 0.000 0.260 84 M C 2.400 178.679 176.300 -0.035 0.000 1.069 84 M CA 1.923 57.183 55.300 -0.067 0.000 1.117 84 M CB -1.137 31.420 32.600 -0.071 0.000 1.334 84 M HN 0.208 nan 8.290 nan 0.000 0.407 85 R N -0.665 119.783 120.500 -0.087 0.000 2.161 85 R HA 0.004 4.344 4.340 0.000 0.000 0.213 85 R C 1.619 177.852 176.300 -0.112 0.000 1.055 85 R CA 0.788 56.841 56.100 -0.077 0.000 0.996 85 R CB 0.018 30.279 30.300 -0.066 0.000 0.901 85 R HN 0.428 nan 8.270 nan 0.000 0.456 86 N N -0.248 118.303 118.700 -0.250 0.000 2.684 86 N HA 0.044 4.784 4.740 0.000 0.000 0.220 86 N C 0.251 175.601 175.510 -0.266 0.000 1.037 86 N CA 0.129 53.011 53.050 -0.279 0.000 0.975 86 N CB -0.038 38.199 38.487 -0.418 0.000 1.426 86 N HN -0.172 nan 8.380 nan 0.000 0.450 87 V N 3.837 123.508 119.914 -0.405 0.000 2.843 87 V HA -0.091 4.029 4.120 0.000 0.000 0.305 87 V C 0.396 176.362 176.094 -0.214 0.000 1.120 87 V CA -0.080 62.010 62.300 -0.349 0.000 1.254 87 V CB -0.067 31.402 31.823 -0.591 0.000 0.901 87 V HN 0.277 nan 8.190 nan 0.000 0.503 88 N N 4.183 122.788 118.700 -0.158 0.000 2.423 88 N HA 0.138 4.878 4.740 0.000 0.000 0.275 88 N C 1.156 176.574 175.510 -0.153 0.000 1.283 88 N CA 1.103 54.095 53.050 -0.097 0.000 0.932 88 N CB 0.717 39.171 38.487 -0.055 0.000 1.185 88 N HN 1.142 nan 8.380 nan 0.000 0.483 89 G N 1.662 110.349 108.800 -0.188 0.000 2.160 89 G HA2 -0.285 3.675 3.960 0.000 0.000 0.251 89 G HA3 -0.285 3.675 3.960 0.000 0.000 0.251 89 G C 1.188 175.749 174.900 -0.564 0.000 1.008 89 G CA 0.430 45.246 45.100 -0.473 0.000 0.724 89 G HN 0.684 nan 8.290 nan 0.000 0.514 90 G N 1.024 109.605 108.800 -0.365 0.000 2.459 90 G HA2 0.049 4.009 3.960 0.000 0.000 0.217 90 G HA3 0.049 4.009 3.960 0.000 0.000 0.217 90 G C 1.589 176.307 174.900 -0.304 0.000 1.183 90 G CA 1.564 46.489 45.100 -0.290 0.000 0.776 90 G HN 1.220 nan 8.290 nan 0.000 0.552 91 F N 0.901 120.756 119.950 -0.159 0.000 2.115 91 F HA -0.141 4.386 4.527 0.000 0.000 0.300 91 F C 2.317 178.015 175.800 -0.169 0.000 1.092 91 F CA 1.945 59.808 58.000 -0.228 0.000 1.245 91 F CB -0.727 38.176 39.000 -0.160 0.000 0.995 91 F HN 0.186 nan 8.300 nan 0.000 0.481 92 M N 0.427 119.369 119.600 -1.097 0.000 2.394 92 M HA 0.065 4.545 4.480 0.000 0.000 0.264 92 M C 1.622 177.830 176.300 -0.153 0.000 1.073 92 M CA 1.484 56.519 55.300 -0.441 0.000 1.111 92 M CB -0.480 31.742 32.600 -0.630 0.000 1.401 92 M HN 0.343 nan 8.290 nan 0.000 0.448 93 L N -1.263 119.836 121.223 -0.208 0.000 2.068 93 L HA -0.076 4.264 4.340 0.000 0.000 0.204 93 L C 2.706 179.591 176.870 0.026 0.000 1.076 93 L CA 0.644 55.446 54.840 -0.064 0.000 0.753 93 L CB -0.799 41.205 42.059 -0.092 0.000 0.910 93 L HN 0.231 nan 8.230 nan 0.000 0.439 94 R N 0.319 120.806 120.500 -0.023 0.000 2.103 94 R HA -0.244 4.096 4.340 0.000 0.000 0.234 94 R C 2.374 178.792 176.300 0.196 0.000 1.132 94 R CA 2.146 58.274 56.100 0.047 0.000 0.925 94 R CB -0.964 29.292 30.300 -0.075 0.000 0.842 94 R HN 0.202 nan 8.270 nan 0.000 0.430 95 Y N 1.060 121.448 120.300 0.146 0.000 2.139 95 Y HA -0.225 4.325 4.550 0.000 0.000 0.282 95 Y C 2.529 178.507 175.900 0.130 0.000 1.179 95 Y CA 1.155 59.343 58.100 0.148 0.000 1.161 95 Y CB -0.899 37.640 38.460 0.132 0.000 0.970 95 Y HN 0.080 nan 8.280 nan 0.000 0.511 96 L N -1.475 119.906 121.223 0.263 0.000 2.017 96 L HA -0.268 4.072 4.340 0.000 0.000 0.208 96 L C 2.473 179.526 176.870 0.306 0.000 1.073 96 L CA 1.765 56.739 54.840 0.223 0.000 0.745 96 L CB -0.549 41.605 42.059 0.159 0.000 0.894 96 L HN 0.240 nan 8.230 nan 0.000 0.432 97 H N -0.420 118.747 119.070 0.161 0.000 2.353 97 H HA -0.150 4.406 4.556 -0.000 0.000 0.300 97 H C 2.034 177.471 175.328 0.182 0.000 1.090 97 H CA 1.613 57.739 56.048 0.130 0.000 1.327 97 H CB 0.058 29.878 29.762 0.097 0.000 1.383 97 H HN 0.341 nan 8.280 nan 0.000 0.508 98 A N 0.580 123.566 122.820 0.277 0.000 1.832 98 A HA -0.178 4.142 4.320 0.000 0.000 0.214 98 A C 2.254 179.996 177.584 0.265 0.000 1.200 98 A CA 1.546 53.736 52.037 0.255 0.000 0.610 98 A CB -0.611 18.588 19.000 0.333 0.000 0.842 98 A HN 0.581 nan 8.150 nan 0.000 0.444 99 N N 0.182 119.075 118.700 0.321 0.000 2.430 99 N HA -0.132 4.608 4.740 0.000 0.000 0.186 99 N C 1.704 177.466 175.510 0.421 0.000 1.032 99 N CA 1.151 54.435 53.050 0.391 0.000 0.893 99 N CB -0.380 38.325 38.487 0.364 0.000 0.957 99 N HN 0.546 nan 8.380 nan 0.000 0.442 100 G N 1.020 109.999 108.800 0.297 0.000 2.418 100 G HA2 -0.179 3.781 3.960 0.000 0.000 0.217 100 G HA3 -0.179 3.781 3.960 0.000 0.000 0.217 100 G C 1.720 176.621 174.900 0.002 0.000 1.158 100 G CA 0.981 46.113 45.100 0.054 0.000 0.771 100 G HN 0.396 nan 8.290 nan 0.000 0.545 101 A N 1.072 123.917 122.820 0.041 0.000 1.865 101 A HA -0.046 4.274 4.320 0.000 0.000 0.217 101 A C 2.733 180.395 177.584 0.130 0.000 1.191 101 A CA 2.436 54.485 52.037 0.020 0.000 0.623 101 A CB -0.782 18.236 19.000 0.030 0.000 0.826 101 A HN 0.344 nan 8.150 nan 0.000 0.444 102 S N -0.257 115.670 115.700 0.377 0.000 2.359 102 S HA -0.190 4.280 4.470 0.000 0.000 0.224 102 S C 1.884 176.793 174.600 0.515 0.000 1.035 102 S CA 1.526 60.135 58.200 0.681 0.000 1.018 102 S CB -0.632 63.033 63.200 0.775 0.000 0.876 102 S HN 0.508 nan 8.310 nan 0.000 0.448 103 L N 1.267 122.666 121.223 0.294 0.000 2.013 103 L HA -0.088 4.252 4.340 0.000 0.000 0.212 103 L C 2.030 179.004 176.870 0.173 0.000 1.073 103 L CA 1.730 56.662 54.840 0.153 0.000 0.753 103 L CB -0.889 41.064 42.059 -0.176 0.000 0.890 103 L HN 0.211 nan 8.230 nan 0.000 0.432 104 F N -0.501 119.364 119.950 -0.141 0.000 2.120 104 F HA -0.278 4.249 4.527 -0.000 0.000 0.300 104 F C 2.142 177.705 175.800 -0.395 0.000 1.095 104 F CA 1.527 59.340 58.000 -0.313 0.000 1.249 104 F CB -0.834 37.860 39.000 -0.510 0.000 0.995 104 F HN 0.138 nan 8.300 nan 0.000 0.480 105 F N -0.123 119.789 119.950 -0.063 0.000 2.118 105 F HA -0.052 4.475 4.527 0.000 0.000 0.293 105 F C 2.501 178.260 175.800 -0.067 0.000 1.102 105 F CA 0.969 58.788 58.000 -0.301 0.000 1.247 105 F CB -1.101 37.606 39.000 -0.488 0.000 1.017 105 F HN -0.199 nan 8.300 nan 0.000 0.475 106 I N 0.093 120.970 120.570 0.512 0.000 2.229 106 I HA -0.430 3.740 4.170 0.000 0.000 0.250 106 I C 2.529 178.727 176.117 0.134 0.000 1.096 106 I CA 1.386 62.944 61.300 0.431 0.000 1.358 106 I CB -0.783 37.412 38.000 0.326 0.000 1.047 106 I HN 0.155 nan 8.210 nan 0.000 0.422 107 A N 0.689 123.577 122.820 0.113 0.000 1.841 107 A HA -0.159 4.161 4.320 0.000 0.000 0.214 107 A C 2.404 180.012 177.584 0.039 0.000 1.195 107 A CA 2.133 54.222 52.037 0.087 0.000 0.611 107 A CB -1.117 18.042 19.000 0.264 0.000 0.835 107 A HN 0.304 nan 8.150 nan 0.000 0.443 108 V N -2.674 117.229 119.914 -0.018 0.000 2.282 108 V HA -0.340 3.781 4.120 0.000 0.000 0.249 108 V C 2.372 178.479 176.094 0.022 0.000 1.057 108 V CA 2.175 64.453 62.300 -0.037 0.000 1.032 108 V CB -1.773 29.937 31.823 -0.189 0.000 0.645 108 V HN 0.510 nan 8.190 nan 0.000 0.447 109 Y N 0.804 121.187 120.300 0.139 0.000 2.128 109 Y HA -0.078 4.472 4.550 0.000 0.000 0.284 109 Y C 2.502 178.450 175.900 0.080 0.000 1.154 109 Y CA 1.141 59.287 58.100 0.078 0.000 1.149 109 Y CB -1.046 37.572 38.460 0.264 0.000 0.976 109 Y HN 0.177 nan 8.280 nan 0.000 0.505 110 L N -1.263 120.020 121.223 0.101 0.000 2.046 110 L HA -0.266 4.074 4.340 0.000 0.000 0.208 110 L C 2.460 179.331 176.870 0.003 0.000 1.077 110 L CA 1.834 56.589 54.840 -0.141 0.000 0.747 110 L CB -0.684 40.806 42.059 -0.948 0.000 0.896 110 L HN 0.258 nan 8.230 nan 0.000 0.432 111 H N 0.364 119.408 119.070 -0.044 0.000 2.319 111 H HA -0.163 4.393 4.556 -0.000 0.000 0.299 111 H C 2.152 177.525 175.328 0.076 0.000 1.092 111 H CA 1.943 58.038 56.048 0.080 0.000 1.302 111 H CB -0.054 29.771 29.762 0.105 0.000 1.373 111 H HN 0.171 nan 8.280 nan 0.000 0.497 112 I N -0.834 119.767 120.570 0.052 0.000 2.113 112 I HA -0.276 3.894 4.170 0.000 0.000 0.238 112 I C 1.883 178.038 176.117 0.064 0.000 1.070 112 I CA 1.247 62.528 61.300 -0.032 0.000 1.332 112 I CB -0.396 37.482 38.000 -0.203 0.000 1.044 112 I HN 0.175 nan 8.210 nan 0.000 0.402 113 F N 0.908 120.929 119.950 0.118 0.000 2.161 113 F HA -0.215 4.312 4.527 0.000 0.000 0.300 113 F C 2.647 178.612 175.800 0.275 0.000 1.089 113 F CA 1.316 59.415 58.000 0.165 0.000 1.282 113 F CB -0.618 38.398 39.000 0.027 0.000 1.010 113 F HN 0.009 nan 8.300 nan 0.000 0.485 114 R N 1.175 121.886 120.500 0.351 0.000 2.083 114 R HA -0.146 4.194 4.340 0.000 0.000 0.237 114 R C 2.401 178.876 176.300 0.291 0.000 1.137 114 R CA 1.823 58.097 56.100 0.291 0.000 0.951 114 R CB -1.476 28.881 30.300 0.096 0.000 0.851 114 R HN 0.373 nan 8.270 nan 0.000 0.434 115 G N 1.417 110.332 108.800 0.192 0.000 2.446 115 G HA2 -0.230 3.731 3.960 0.000 0.000 0.217 115 G HA3 -0.230 3.731 3.960 0.000 0.000 0.217 115 G C 1.838 176.941 174.900 0.338 0.000 1.168 115 G CA 0.885 46.130 45.100 0.240 0.000 0.771 115 G HN 0.332 nan 8.290 nan 0.000 0.551 116 L N -1.088 120.405 121.223 0.449 0.000 2.042 116 L HA -0.132 4.208 4.340 0.000 0.000 0.210 116 L C 2.614 179.783 176.870 0.498 0.000 1.076 116 L CA 1.505 56.683 54.840 0.563 0.000 0.749 116 L CB -0.472 41.913 42.059 0.543 0.000 0.893 116 L HN 0.336 nan 8.230 nan 0.000 0.432 117 Y N -0.803 119.580 120.300 0.138 0.000 2.314 117 Y HA -0.222 4.328 4.550 0.000 0.000 0.293 117 Y C 1.568 177.103 175.900 -0.608 0.000 1.129 117 Y CA 1.332 59.084 58.100 -0.580 0.000 1.201 117 Y CB 0.050 37.856 38.460 -1.089 0.000 0.999 117 Y HN 0.080 nan 8.280 nan 0.000 0.541 118 Y N -0.167 120.049 120.300 -0.140 0.000 2.571 118 Y HA 0.319 4.869 4.550 0.000 0.000 0.275 118 Y C 1.585 177.282 175.900 -0.337 0.000 1.179 118 Y CA -0.046 57.930 58.100 -0.207 0.000 1.242 118 Y CB 0.342 38.837 38.460 0.058 0.000 1.126 118 Y HN 0.158 nan 8.280 nan 0.000 0.524 119 G N -0.112 108.431 108.800 -0.428 0.000 2.258 119 G HA2 -0.358 3.603 3.960 0.000 0.000 0.274 119 G HA3 -0.358 3.603 3.960 0.000 0.000 0.274 119 G C 1.216 175.697 174.900 -0.699 0.000 1.021 119 G CA 0.801 45.400 45.100 -0.836 0.000 0.798 119 G HN 0.390 nan 8.290 nan 0.000 0.507 120 S N -0.950 114.515 115.700 -0.392 0.000 2.507 120 S HA -0.039 4.431 4.470 0.000 0.000 0.235 120 S C 1.810 176.308 174.600 -0.169 0.000 0.988 120 S CA 1.659 59.755 58.200 -0.173 0.000 0.944 120 S CB -0.286 62.896 63.200 -0.030 0.000 0.762 120 S HN 0.952 nan 8.310 nan 0.000 0.526 121 Y N 0.526 120.694 120.300 -0.220 0.000 2.503 121 Y HA 0.449 4.999 4.550 -0.000 0.000 0.278 121 Y C 0.406 176.090 175.900 -0.360 0.000 1.111 121 Y CA -0.762 57.116 58.100 -0.369 0.000 1.270 121 Y CB -0.472 37.273 38.460 -1.192 0.000 1.063 121 Y HN -0.109 nan 8.280 nan 0.000 0.548 122 K N 2.119 122.083 120.400 -0.727 0.000 2.401 122 K HA 0.380 4.700 4.320 0.000 0.000 0.278 122 K C 0.553 176.994 176.600 -0.265 0.000 1.018 122 K CA 0.127 56.148 56.287 -0.443 0.000 0.981 122 K CB 0.615 32.822 32.500 -0.489 0.000 0.933 122 K HN 0.377 nan 8.250 nan 0.000 0.477 123 A N 4.535 127.228 122.820 -0.211 0.000 2.642 123 A HA -0.048 4.272 4.320 0.000 0.000 0.228 123 A C -1.206 176.318 177.584 -0.100 0.000 1.045 123 A CA -0.413 51.547 52.037 -0.129 0.000 0.760 123 A CB -0.264 18.674 19.000 -0.103 0.000 0.958 123 A HN 0.671 nan 8.150 nan 0.000 0.505 124 P HA 0.047 nan 4.420 nan 0.000 0.253 124 P C 0.336 177.628 177.300 -0.013 0.000 1.260 124 P CA 0.290 63.371 63.100 -0.031 0.000 0.800 124 P CB 0.117 31.809 31.700 -0.014 0.000 1.162 125 R N 0.520 121.007 120.500 -0.022 0.000 2.535 125 R HA 0.055 4.395 4.340 0.000 0.000 0.233 125 R C 1.125 177.473 176.300 0.080 0.000 1.202 125 R CA 0.113 56.233 56.100 0.032 0.000 1.205 125 R CB -0.297 30.021 30.300 0.029 0.000 1.153 125 R HN 0.240 nan 8.270 nan 0.000 0.512 126 E N 0.260 120.484 120.200 0.039 0.000 2.031 126 E HA -0.158 4.192 4.350 0.000 0.000 0.193 126 E C 1.871 178.601 176.600 0.216 0.000 0.994 126 E CA 1.300 57.742 56.400 0.071 0.000 0.800 126 E CB -0.049 29.653 29.700 0.003 0.000 0.752 126 E HN 0.052 nan 8.360 nan 0.000 0.447 127 V N 1.146 121.162 119.914 0.170 0.000 2.282 127 V HA -0.333 3.787 4.120 0.000 0.000 0.249 127 V C 2.195 178.412 176.094 0.206 0.000 1.057 127 V CA 2.283 64.685 62.300 0.170 0.000 1.032 127 V CB -1.140 30.733 31.823 0.082 0.000 0.645 127 V HN 0.358 nan 8.190 nan 0.000 0.447 128 T N -0.708 113.970 114.554 0.206 0.000 2.565 128 T HA -0.331 4.019 4.350 0.000 0.000 0.265 128 T C 1.504 176.413 174.700 0.349 0.000 1.082 128 T CA 2.236 64.500 62.100 0.274 0.000 1.173 128 T CB -0.536 68.469 68.868 0.228 0.000 0.864 128 T HN 0.697 nan 8.240 nan 0.000 0.425 129 W N 1.675 123.078 121.300 0.171 0.000 2.302 129 W HA -0.219 4.441 4.660 -0.000 0.000 0.320 129 W C 2.053 178.666 176.519 0.156 0.000 1.241 129 W CA 1.452 58.892 57.345 0.157 0.000 1.264 129 W CB -0.695 28.838 29.460 0.121 0.000 1.154 129 W HN 0.288 nan 8.180 nan 0.000 0.483 130 I N 0.258 120.988 120.570 0.267 0.000 2.127 130 I HA -0.373 3.797 4.170 0.000 0.000 0.241 130 I C 2.444 178.591 176.117 0.051 0.000 1.075 130 I CA 1.718 63.120 61.300 0.171 0.000 1.334 130 I CB -1.348 36.807 38.000 0.259 0.000 1.040 130 I HN -0.233 nan 8.210 nan 0.000 0.405 131 V N 1.236 121.210 119.914 0.100 0.000 2.252 131 V HA -0.307 3.813 4.120 0.000 0.000 0.249 131 V C 2.649 178.715 176.094 -0.047 0.000 1.056 131 V CA 2.416 64.760 62.300 0.074 0.000 1.022 131 V CB -1.621 30.306 31.823 0.173 0.000 0.641 131 V HN 0.627 nan 8.190 nan 0.000 0.445 132 G N -0.617 108.116 108.800 -0.111 0.000 2.505 132 G HA2 -0.328 3.632 3.960 0.000 0.000 0.220 132 G HA3 -0.328 3.632 3.960 0.000 0.000 0.220 132 G C 1.519 176.256 174.900 -0.273 0.000 1.145 132 G CA 1.422 46.318 45.100 -0.340 0.000 0.761 132 G HN 0.331 nan 8.290 nan 0.000 0.571 133 M N 0.164 119.586 119.600 -0.298 0.000 2.108 133 M HA 0.045 4.525 4.480 0.000 0.000 0.261 133 M C 2.708 178.990 176.300 -0.029 0.000 1.066 133 M CA 0.945 56.141 55.300 -0.175 0.000 1.107 133 M CB -1.228 31.281 32.600 -0.151 0.000 1.356 133 M HN 0.223 nan 8.290 nan 0.000 0.406 134 L N -0.458 120.744 121.223 -0.036 0.000 2.012 134 L HA -0.255 4.085 4.340 0.000 0.000 0.210 134 L C 2.437 179.288 176.870 -0.031 0.000 1.073 134 L CA 1.227 56.059 54.840 -0.012 0.000 0.748 134 L CB -0.669 41.391 42.059 0.002 0.000 0.891 134 L HN 0.223 nan 8.230 nan 0.000 0.431 135 I N -1.418 119.114 120.570 -0.062 0.000 2.118 135 I HA -0.386 3.784 4.170 0.000 0.000 0.241 135 I C 2.591 178.659 176.117 -0.082 0.000 1.070 135 I CA 1.614 62.862 61.300 -0.086 0.000 1.327 135 I CB -0.462 37.453 38.000 -0.142 0.000 1.034 135 I HN 0.212 nan 8.210 nan 0.000 0.405 136 Y N 1.567 121.759 120.300 -0.180 0.000 2.114 136 Y HA -0.290 4.260 4.550 -0.000 0.000 0.282 136 Y C 2.322 178.175 175.900 -0.078 0.000 1.165 136 Y CA 1.595 59.608 58.100 -0.145 0.000 1.148 136 Y CB -0.525 37.860 38.460 -0.126 0.000 0.972 136 Y HN 0.036 nan 8.280 nan 0.000 0.504 137 L N -0.674 120.469 121.223 -0.134 0.000 1.955 137 L HA -0.301 4.039 4.340 0.000 0.000 0.213 137 L C 2.799 179.580 176.870 -0.148 0.000 1.072 137 L CA 1.504 56.243 54.840 -0.168 0.000 0.755 137 L CB -1.179 40.852 42.059 -0.047 0.000 0.888 137 L HN 0.332 nan 8.230 nan 0.000 0.432 138 A N -0.257 122.506 122.820 -0.095 0.000 1.884 138 A HA -0.322 3.998 4.320 0.000 0.000 0.219 138 A C 2.266 179.790 177.584 -0.101 0.000 1.197 138 A CA 2.410 54.404 52.037 -0.072 0.000 0.637 138 A CB -0.680 18.284 19.000 -0.060 0.000 0.827 138 A HN 0.401 nan 8.150 nan 0.000 0.450 139 M N -1.365 118.121 119.600 -0.190 0.000 2.163 139 M HA -0.282 4.198 4.480 0.000 0.000 0.258 139 M C 2.545 178.785 176.300 -0.100 0.000 1.071 139 M CA 2.417 57.544 55.300 -0.289 0.000 1.093 139 M CB -0.620 31.641 32.600 -0.564 0.000 1.285 139 M HN 0.474 nan 8.290 nan 0.000 0.420 140 M N -0.189 119.386 119.600 -0.042 0.000 2.082 140 M HA -0.248 4.232 4.480 0.000 0.000 0.258 140 M C 2.527 178.963 176.300 0.228 0.000 1.071 140 M CA 2.032 57.445 55.300 0.189 0.000 1.103 140 M CB -0.881 31.697 32.600 -0.037 0.000 1.307 140 M HN 0.470 nan 8.290 nan 0.000 0.409 141 A N 0.325 123.202 122.820 0.095 0.000 1.881 141 A HA -0.249 4.071 4.320 0.000 0.000 0.219 141 A C 2.178 179.885 177.584 0.205 0.000 1.215 141 A CA 2.822 54.951 52.037 0.153 0.000 0.648 141 A CB -1.510 17.531 19.000 0.069 0.000 0.832 141 A HN 0.552 nan 8.150 nan 0.000 0.455 142 T N 0.375 115.000 114.554 0.118 0.000 2.516 142 T HA -0.179 4.171 4.350 0.000 0.000 0.261 142 T C 2.191 177.024 174.700 0.222 0.000 1.130 142 T CA 2.654 64.845 62.100 0.153 0.000 1.193 142 T CB -0.958 67.945 68.868 0.060 0.000 0.864 142 T HN 0.869 nan 8.240 nan 0.000 0.410 143 A N 1.011 123.950 122.820 0.199 0.000 2.067 143 A HA -0.194 4.126 4.320 0.000 0.000 0.224 143 A C 1.998 179.763 177.584 0.302 0.000 1.172 143 A CA 2.278 54.439 52.037 0.206 0.000 0.662 143 A CB -1.060 18.037 19.000 0.162 0.000 0.814 143 A HN 0.583 nan 8.150 nan 0.000 0.468 144 F N -0.354 119.735 119.950 0.232 0.000 2.118 144 F HA -0.011 4.516 4.527 -0.000 0.000 0.293 144 F C 2.163 178.049 175.800 0.143 0.000 1.102 144 F CA 1.820 59.977 58.000 0.262 0.000 1.247 144 F CB -0.624 38.501 39.000 0.207 0.000 1.017 144 F HN 0.160 nan 8.300 nan 0.000 0.475 145 M N 0.711 119.990 119.600 -0.535 0.000 2.149 145 M HA -0.100 4.380 4.480 0.000 0.000 0.261 145 M C 2.462 178.507 176.300 -0.425 0.000 1.064 145 M CA 1.798 56.678 55.300 -0.700 0.000 1.102 145 M CB -1.249 31.029 32.600 -0.536 0.000 1.369 145 M HN 0.403 nan 8.290 nan 0.000 0.408 146 G N -0.710 107.748 108.800 -0.572 0.000 2.491 146 G HA2 -0.298 3.662 3.960 0.000 0.000 0.218 146 G HA3 -0.298 3.662 3.960 0.000 0.000 0.218 146 G C 1.293 176.109 174.900 -0.140 0.000 1.180 146 G CA 0.856 45.503 45.100 -0.755 0.000 0.774 146 G HN 0.409 nan 8.290 nan 0.000 0.562 147 Y N 1.250 121.492 120.300 -0.097 0.000 2.315 147 Y HA -0.114 4.436 4.550 -0.000 0.000 0.288 147 Y C 2.874 178.801 175.900 0.045 0.000 1.154 147 Y CA 0.945 59.060 58.100 0.024 0.000 1.229 147 Y CB -0.203 38.317 38.460 0.100 0.000 0.980 147 Y HN 0.059 nan 8.280 nan 0.000 0.540 148 V N -0.122 119.806 119.914 0.024 0.000 2.307 148 V HA -0.328 3.792 4.120 0.000 0.000 0.245 148 V C 2.463 178.681 176.094 0.207 0.000 1.045 148 V CA 1.768 64.121 62.300 0.087 0.000 1.024 148 V CB -0.895 31.037 31.823 0.181 0.000 0.651 148 V HN 0.377 nan 8.190 nan 0.000 0.449 149 L N -0.009 121.301 121.223 0.145 0.000 2.011 149 L HA -0.246 4.094 4.340 0.000 0.000 0.225 149 L C 0.113 177.201 176.870 0.363 0.000 1.084 149 L CA 2.265 57.223 54.840 0.197 0.000 0.791 149 L CB -2.379 39.586 42.059 -0.156 0.000 0.898 149 L HN 0.335 nan 8.230 nan 0.000 0.440 150 P HA -0.247 nan 4.420 nan 0.000 0.221 150 P C 0.176 177.784 177.300 0.513 0.000 1.141 150 P CA 0.963 64.278 63.100 0.357 0.000 0.794 150 P CB -0.157 31.659 31.700 0.193 0.000 0.764 151 W N -0.450 120.913 121.300 0.105 0.000 6.544 151 W HA -0.167 4.493 4.660 0.000 0.000 0.423 151 W C -0.004 176.461 176.519 -0.091 0.000 1.688 151 W CA 0.363 57.719 57.345 0.018 0.000 1.082 151 W CB -1.273 28.206 29.460 0.033 0.000 2.917 151 W HN -0.022 nan 8.180 nan 0.000 1.481 152 G N 0.943 109.658 108.800 -0.142 0.000 2.887 152 G HA2 0.292 4.252 3.960 0.000 0.000 0.277 152 G HA3 0.292 4.252 3.960 0.000 0.000 0.277 152 G C 0.433 175.131 174.900 -0.337 0.000 1.346 152 G CA -0.103 44.815 45.100 -0.303 0.000 1.058 152 G HN 0.190 nan 8.290 nan 0.000 0.535 153 Q N -0.721 118.942 119.800 -0.229 0.000 1.975 153 Q HA -0.124 4.216 4.340 0.000 0.000 0.205 153 Q C 2.792 178.776 176.000 -0.025 0.000 0.990 153 Q CA 1.314 57.062 55.803 -0.092 0.000 0.845 153 Q CB -0.387 28.360 28.738 0.014 0.000 0.913 153 Q HN 0.459 nan 8.270 nan 0.000 0.420 154 M N 0.545 120.101 119.600 -0.074 0.000 2.144 154 M HA -0.139 4.341 4.480 0.000 0.000 0.260 154 M C 2.180 178.453 176.300 -0.044 0.000 1.067 154 M CA 1.263 56.551 55.300 -0.020 0.000 1.095 154 M CB -1.291 31.328 32.600 0.031 0.000 1.365 154 M HN 0.054 nan 8.290 nan 0.000 0.406 155 S N 0.510 116.056 115.700 -0.257 0.000 2.348 155 S HA -0.131 4.339 4.470 0.000 0.000 0.221 155 S C 1.666 176.154 174.600 -0.188 0.000 1.033 155 S CA 1.169 59.217 58.200 -0.253 0.000 1.010 155 S CB -0.504 62.537 63.200 -0.264 0.000 0.891 155 S HN 0.408 nan 8.310 nan 0.000 0.442 156 F N 1.176 120.755 119.950 -0.618 0.000 2.014 156 F HA -0.086 4.441 4.527 -0.000 0.000 0.295 156 F C 1.961 177.426 175.800 -0.559 0.000 1.145 156 F CA 1.190 58.652 58.000 -0.897 0.000 1.178 156 F CB -1.005 37.219 39.000 -1.292 0.000 0.972 156 F HN 0.221 nan 8.300 nan 0.000 0.476 157 W N 0.623 121.838 121.300 -0.142 0.000 2.317 157 W HA -0.157 4.503 4.660 0.000 0.000 0.318 157 W C 2.739 179.195 176.519 -0.104 0.000 1.227 157 W CA 1.293 58.525 57.345 -0.189 0.000 1.269 157 W CB -1.347 28.072 29.460 -0.067 0.000 1.155 157 W HN 0.241 nan 8.180 nan 0.000 0.484 158 G N 0.395 109.315 108.800 0.200 0.000 2.513 158 G HA2 -0.325 3.635 3.960 0.000 0.000 0.219 158 G HA3 -0.325 3.635 3.960 0.000 0.000 0.219 158 G C 1.603 176.681 174.900 0.298 0.000 1.160 158 G CA 1.957 47.204 45.100 0.244 0.000 0.767 158 G HN 0.390 nan 8.290 nan 0.000 0.571 159 A N -0.005 122.981 122.820 0.276 0.000 1.902 159 A HA -0.008 4.312 4.320 0.000 0.000 0.217 159 A C 2.538 180.230 177.584 0.180 0.000 1.181 159 A CA 2.480 54.763 52.037 0.410 0.000 0.623 159 A CB -1.044 18.084 19.000 0.213 0.000 0.818 159 A HN 0.312 nan 8.150 nan 0.000 0.443 160 T N -0.302 114.192 114.554 -0.100 0.000 2.665 160 T HA -0.164 4.186 4.350 0.000 0.000 0.268 160 T C 1.850 176.589 174.700 0.065 0.000 1.035 160 T CA 1.787 63.817 62.100 -0.117 0.000 1.151 160 T CB -0.462 68.281 68.868 -0.208 0.000 0.862 160 T HN 0.154 nan 8.240 nan 0.000 0.438 161 V N 1.225 121.203 119.914 0.106 0.000 2.323 161 V HA -0.060 4.060 4.120 0.000 0.000 0.244 161 V C 2.373 178.513 176.094 0.078 0.000 1.041 161 V CA 1.295 63.654 62.300 0.098 0.000 1.025 161 V CB -0.479 31.399 31.823 0.091 0.000 0.656 161 V HN 0.508 nan 8.190 nan 0.000 0.451 162 I N 0.941 121.543 120.570 0.054 0.000 2.394 162 I HA -0.175 3.995 4.170 0.000 0.000 0.251 162 I C 2.589 178.824 176.117 0.195 0.000 1.136 162 I CA 1.845 63.111 61.300 -0.056 0.000 1.425 162 I CB -0.967 36.688 38.000 -0.574 0.000 1.079 162 I HN 0.490 nan 8.210 nan 0.000 0.425 163 T N -0.993 113.725 114.554 0.274 0.000 2.867 163 T HA -0.037 4.313 4.350 0.000 0.000 0.268 163 T C 2.052 176.961 174.700 0.348 0.000 1.057 163 T CA 0.994 63.303 62.100 0.348 0.000 1.136 163 T CB -0.974 68.044 68.868 0.249 0.000 0.874 163 T HN 0.411 nan 8.240 nan 0.000 0.466 164 G N 2.238 111.169 108.800 0.220 0.000 2.440 164 G HA2 -0.124 3.836 3.960 0.000 0.000 0.218 164 G HA3 -0.124 3.836 3.960 0.000 0.000 0.218 164 G C 1.498 176.491 174.900 0.156 0.000 1.154 164 G CA 0.856 46.059 45.100 0.171 0.000 0.767 164 G HN 0.531 nan 8.290 nan 0.000 0.552 165 L N -0.707 120.577 121.223 0.103 0.000 2.137 165 L HA -0.159 4.181 4.340 0.000 0.000 0.213 165 L C 2.655 179.442 176.870 -0.138 0.000 1.085 165 L CA 1.097 55.913 54.840 -0.039 0.000 0.760 165 L CB -0.537 41.427 42.059 -0.157 0.000 0.893 165 L HN 0.163 nan 8.230 nan 0.000 0.434 166 F N -0.255 119.776 119.950 0.135 0.000 2.367 166 F HA 0.012 4.539 4.527 0.000 0.000 0.298 166 F C 2.464 178.323 175.800 0.098 0.000 1.094 166 F CA 0.918 58.989 58.000 0.118 0.000 1.409 166 F CB -0.933 38.136 39.000 0.115 0.000 1.064 166 F HN -0.012 nan 8.300 nan 0.000 0.528 167 G N -0.387 108.548 108.800 0.224 0.000 2.559 167 G HA2 -0.066 3.894 3.960 0.000 0.000 0.216 167 G HA3 -0.066 3.894 3.960 0.000 0.000 0.216 167 G C 1.810 176.772 174.900 0.104 0.000 1.126 167 G CA 0.709 45.911 45.100 0.170 0.000 0.778 167 G HN 0.412 nan 8.290 nan 0.000 0.543 168 A N 0.306 123.181 122.820 0.090 0.000 2.016 168 A HA 0.306 4.626 4.320 0.000 0.000 0.217 168 A C 1.091 178.611 177.584 -0.107 0.000 1.162 168 A CA -0.030 52.056 52.037 0.081 0.000 0.662 168 A CB -0.146 18.983 19.000 0.214 0.000 0.812 168 A HN 0.290 nan 8.150 nan 0.000 0.450 169 I N 1.301 121.810 120.570 -0.102 0.000 2.752 169 I HA 0.061 4.231 4.170 0.000 0.000 0.289 169 I C -2.220 173.676 176.117 -0.368 0.000 1.197 169 I CA -1.143 59.972 61.300 -0.309 0.000 1.432 169 I CB 0.320 38.272 38.000 -0.080 0.000 1.359 169 I HN 0.074 nan 8.210 nan 0.000 0.571 170 P HA 0.193 nan 4.420 nan 0.000 0.275 170 P C 0.793 177.985 177.300 -0.179 0.000 1.228 170 P CA 0.564 63.457 63.100 -0.345 0.000 0.786 170 P CB 1.076 32.544 31.700 -0.387 0.000 0.927 171 G N 3.121 111.855 108.800 -0.111 0.000 4.610 171 G HA2 -0.403 3.557 3.960 0.000 0.000 0.323 171 G HA3 -0.403 3.557 3.960 0.000 0.000 0.323 171 G C 1.166 176.046 174.900 -0.032 0.000 1.377 171 G CA 0.586 45.648 45.100 -0.065 0.000 1.023 171 G HN 0.589 nan 8.290 nan 0.000 0.755 172 I N 0.198 120.746 120.570 -0.037 0.000 2.226 172 I HA 0.134 4.304 4.170 0.000 0.000 0.245 172 I C 2.776 178.907 176.117 0.024 0.000 1.100 172 I CA 2.272 63.562 61.300 -0.016 0.000 1.374 172 I CB -1.420 36.559 38.000 -0.036 0.000 1.057 172 I HN 0.844 nan 8.210 nan 0.000 0.413 173 G N 1.273 110.084 108.800 0.018 0.000 2.873 173 G HA2 -0.443 3.517 3.960 0.000 0.000 0.233 173 G HA3 -0.443 3.517 3.960 0.000 0.000 0.233 173 G C 1.687 176.667 174.900 0.134 0.000 1.124 173 G CA 1.926 47.068 45.100 0.069 0.000 0.747 173 G HN 0.718 nan 8.290 nan 0.000 0.644 174 H N 0.433 119.525 119.070 0.037 0.000 2.326 174 H HA -0.047 4.509 4.556 0.000 0.000 0.301 174 H C 2.938 178.310 175.328 0.074 0.000 1.081 174 H CA 1.533 57.615 56.048 0.057 0.000 1.334 174 H CB 0.029 29.813 29.762 0.036 0.000 1.385 174 H HN 0.413 nan 8.280 nan 0.000 0.504 175 S N 1.009 116.758 115.700 0.083 0.000 2.365 175 S HA -0.185 4.286 4.470 0.000 0.000 0.221 175 S C 2.332 176.950 174.600 0.031 0.000 1.037 175 S CA 1.491 59.705 58.200 0.023 0.000 1.060 175 S CB -0.462 62.743 63.200 0.008 0.000 0.974 175 S HN 0.367 nan 8.310 nan 0.000 0.427 176 I N 1.444 122.040 120.570 0.043 0.000 2.229 176 I HA -0.338 3.832 4.170 0.000 0.000 0.250 176 I C 2.820 179.067 176.117 0.217 0.000 1.096 176 I CA 1.712 63.075 61.300 0.104 0.000 1.358 176 I CB -0.470 37.609 38.000 0.131 0.000 1.047 176 I HN 0.461 nan 8.210 nan 0.000 0.422 177 Q N 0.486 120.374 119.800 0.147 0.000 2.020 177 Q HA -0.167 4.173 4.340 0.000 0.000 0.198 177 Q C 2.151 178.192 176.000 0.067 0.000 0.974 177 Q CA 2.199 58.080 55.803 0.131 0.000 0.829 177 Q CB -0.001 28.796 28.738 0.099 0.000 0.894 177 Q HN 0.391 nan 8.270 nan 0.000 0.433 178 T N 0.358 114.881 114.554 -0.050 0.000 2.699 178 T HA -0.231 4.119 4.350 0.000 0.000 0.268 178 T C 0.902 175.657 174.700 0.092 0.000 1.036 178 T CA 1.523 63.596 62.100 -0.045 0.000 1.147 178 T CB -0.560 68.237 68.868 -0.117 0.000 0.862 178 T HN 0.535 nan 8.240 nan 0.000 0.446 179 W N 1.757 123.022 121.300 -0.058 0.000 2.332 179 W HA -0.103 4.557 4.660 -0.000 0.000 0.321 179 W C 1.869 178.378 176.519 -0.016 0.000 1.219 179 W CA 0.971 58.297 57.345 -0.032 0.000 1.277 179 W CB -0.731 28.711 29.460 -0.029 0.000 1.161 179 W HN 0.142 nan 8.180 nan 0.000 0.476 180 L N 0.144 121.425 121.223 0.096 0.000 2.012 180 L HA -0.272 4.068 4.340 0.000 0.000 0.210 180 L C 2.459 179.277 176.870 -0.087 0.000 1.073 180 L CA 1.611 56.392 54.840 -0.098 0.000 0.748 180 L CB -1.142 40.942 42.059 0.042 0.000 0.891 180 L HN 0.115 nan 8.230 nan 0.000 0.431 181 L N -0.591 120.612 121.223 -0.034 0.000 2.291 181 L HA -0.010 4.330 4.340 0.000 0.000 0.214 181 L C 1.650 178.460 176.870 -0.100 0.000 1.120 181 L CA 0.691 55.490 54.840 -0.069 0.000 0.799 181 L CB -0.727 41.315 42.059 -0.027 0.000 0.925 181 L HN 0.534 nan 8.230 nan 0.000 0.446 182 G N -0.083 108.660 108.800 -0.096 0.000 2.168 182 G HA2 -0.165 3.795 3.960 0.000 0.000 0.257 182 G HA3 -0.165 3.795 3.960 0.000 0.000 0.257 182 G C 0.428 175.301 174.900 -0.044 0.000 0.997 182 G CA 0.239 45.287 45.100 -0.087 0.000 0.708 182 G HN 0.733 nan 8.290 nan 0.000 0.520 183 G N -1.802 106.982 108.800 -0.027 0.000 2.340 183 G HA2 0.707 4.667 3.960 0.000 0.000 0.299 183 G HA3 0.707 4.667 3.960 0.000 0.000 0.299 183 G C -1.646 173.255 174.900 0.001 0.000 1.291 183 G CA 0.381 45.475 45.100 -0.008 0.000 0.841 183 G HN 0.232 nan 8.290 nan 0.000 0.500 184 P HA 0.241 nan 4.420 nan 0.000 0.223 184 P C 0.617 177.943 177.300 0.042 0.000 1.151 184 P CA 1.705 64.829 63.100 0.040 0.000 0.787 184 P CB 0.547 32.279 31.700 0.053 0.000 0.788 185 A N -0.864 121.976 122.820 0.033 0.000 2.564 185 A HA 0.499 4.819 4.320 0.000 0.000 0.288 185 A C -0.963 176.630 177.584 0.015 0.000 1.164 185 A CA -0.602 51.455 52.037 0.034 0.000 0.712 185 A CB 1.225 20.268 19.000 0.071 0.000 1.303 185 A HN -0.182 nan 8.150 nan 0.000 0.418 186 V N 2.163 122.059 119.914 -0.029 0.000 2.446 186 V HA 0.310 4.430 4.120 0.000 0.000 0.276 186 V C -0.033 176.188 176.094 0.211 0.000 1.030 186 V CA 0.941 63.224 62.300 -0.027 0.000 1.033 186 V CB 0.350 31.986 31.823 -0.313 0.000 0.993 186 V HN 0.959 nan 8.190 nan 0.000 0.477 187 D N 3.323 123.821 120.400 0.163 0.000 3.076 187 D HA 0.221 4.861 4.640 0.000 0.000 0.301 187 D C 0.965 177.247 176.300 -0.031 0.000 1.260 187 D CA -0.584 53.513 54.000 0.161 0.000 1.027 187 D CB 1.069 41.892 40.800 0.039 0.000 1.370 187 D HN 0.253 nan 8.370 nan 0.000 0.602 188 N N -0.299 118.277 118.700 -0.205 0.000 2.039 188 N HA -0.114 4.626 4.740 0.000 0.000 0.193 188 N C 1.627 176.958 175.510 -0.299 0.000 1.044 188 N CA 2.587 55.393 53.050 -0.406 0.000 0.847 188 N CB -0.407 37.802 38.487 -0.464 0.000 1.030 188 N HN 0.367 nan 8.380 nan 0.000 0.422 189 A N -0.745 121.954 122.820 -0.203 0.000 1.985 189 A HA -0.271 4.049 4.320 0.000 0.000 0.223 189 A C 2.203 179.668 177.584 -0.199 0.000 1.189 189 A CA 2.604 54.544 52.037 -0.162 0.000 0.658 189 A CB -1.451 17.478 19.000 -0.119 0.000 0.820 189 A HN 0.551 nan 8.150 nan 0.000 0.464 190 T N -0.353 114.052 114.554 -0.249 0.000 2.732 190 T HA -0.077 4.273 4.350 0.000 0.000 0.261 190 T C 1.829 176.194 174.700 -0.558 0.000 1.040 190 T CA 1.210 63.050 62.100 -0.433 0.000 1.145 190 T CB -0.514 68.098 68.868 -0.427 0.000 0.866 190 T HN 0.327 nan 8.240 nan 0.000 0.427 191 L N 2.144 123.124 121.223 -0.406 0.000 1.997 191 L HA -0.159 4.181 4.340 0.000 0.000 0.216 191 L C 2.029 178.836 176.870 -0.104 0.000 1.074 191 L CA 1.931 56.587 54.840 -0.308 0.000 0.763 191 L CB -1.327 40.362 42.059 -0.617 0.000 0.890 191 L HN 0.254 nan 8.230 nan 0.000 0.434 192 N N -0.763 117.856 118.700 -0.135 0.000 2.061 192 N HA -0.276 4.464 4.740 0.000 0.000 0.193 192 N C 1.938 177.523 175.510 0.124 0.000 1.030 192 N CA 1.955 55.007 53.050 0.003 0.000 0.856 192 N CB -0.164 38.289 38.487 -0.056 0.000 1.023 192 N HN 0.527 nan 8.380 nan 0.000 0.424 193 R N -0.844 119.689 120.500 0.056 0.000 2.148 193 R HA -0.065 4.275 4.340 0.000 0.000 0.227 193 R C 1.280 177.767 176.300 0.312 0.000 1.103 193 R CA 0.940 57.115 56.100 0.126 0.000 0.983 193 R CB -0.508 29.810 30.300 0.030 0.000 0.874 193 R HN 0.191 nan 8.270 nan 0.000 0.451 194 F N 0.757 120.734 119.950 0.044 0.000 2.206 194 F HA 0.001 4.528 4.527 -0.000 0.000 0.298 194 F C 2.023 177.905 175.800 0.137 0.000 1.090 194 F CA -0.205 57.820 58.000 0.043 0.000 1.323 194 F CB -0.844 38.150 39.000 -0.010 0.000 1.028 194 F HN -0.072 nan 8.300 nan 0.000 0.492 195 F N 0.383 120.483 119.950 0.250 0.000 2.075 195 F HA -0.220 4.307 4.527 0.000 0.000 0.297 195 F C 2.786 178.725 175.800 0.233 0.000 1.113 195 F CA 1.788 59.922 58.000 0.225 0.000 1.218 195 F CB -0.983 38.154 39.000 0.227 0.000 0.984 195 F HN -0.076 nan 8.300 nan 0.000 0.472 196 S N 0.126 115.932 115.700 0.177 0.000 2.387 196 S HA -0.186 4.284 4.470 0.000 0.000 0.230 196 S C 2.110 176.730 174.600 0.034 0.000 1.035 196 S CA 1.755 59.981 58.200 0.043 0.000 1.014 196 S CB -0.515 62.739 63.200 0.090 0.000 0.836 196 S HN 0.442 nan 8.310 nan 0.000 0.466 197 L N -0.106 121.158 121.223 0.069 0.000 2.162 197 L HA 0.043 4.383 4.340 0.000 0.000 0.205 197 L C 2.504 179.389 176.870 0.025 0.000 1.086 197 L CA 1.319 56.182 54.840 0.038 0.000 0.778 197 L CB -0.653 41.411 42.059 0.008 0.000 0.928 197 L HN 0.382 nan 8.230 nan 0.000 0.446 198 H N -0.763 118.260 119.070 -0.080 0.000 2.422 198 H HA -0.243 4.313 4.556 0.000 0.000 0.298 198 H C 1.983 177.202 175.328 -0.181 0.000 1.098 198 H CA 1.670 57.645 56.048 -0.121 0.000 1.315 198 H CB -0.059 29.645 29.762 -0.097 0.000 1.382 198 H HN 0.258 nan 8.280 nan 0.000 0.523 199 Y N -0.151 119.961 120.300 -0.314 0.000 2.092 199 Y HA -0.151 4.399 4.550 0.000 0.000 0.282 199 Y C 2.445 178.229 175.900 -0.192 0.000 1.126 199 Y CA 1.572 59.468 58.100 -0.340 0.000 1.111 199 Y CB -0.941 37.315 38.460 -0.340 0.000 0.987 199 Y HN 0.315 nan 8.280 nan 0.000 0.489 200 L N 0.352 121.697 121.223 0.203 0.000 1.978 200 L HA -0.280 4.060 4.340 0.000 0.000 0.218 200 L C 2.301 179.238 176.870 0.112 0.000 1.075 200 L CA 1.873 56.851 54.840 0.230 0.000 0.767 200 L CB -1.374 40.764 42.059 0.132 0.000 0.890 200 L HN 0.408 nan 8.230 nan 0.000 0.434 201 L N -0.591 120.629 121.223 -0.006 0.000 2.010 201 L HA -0.273 4.067 4.340 0.000 0.000 0.219 201 L C 0.135 176.945 176.870 -0.100 0.000 1.077 201 L CA 2.301 57.118 54.840 -0.039 0.000 0.773 201 L CB -2.050 39.978 42.059 -0.052 0.000 0.892 201 L HN 0.272 nan 8.230 nan 0.000 0.436 202 P HA -0.217 nan 4.420 nan 0.000 0.217 202 P C 1.425 178.550 177.300 -0.291 0.000 1.151 202 P CA 1.659 64.562 63.100 -0.329 0.000 0.849 202 P CB -0.071 31.301 31.700 -0.547 0.000 0.787 203 F N -1.148 118.773 119.950 -0.048 0.000 2.146 203 F HA -0.146 4.381 4.527 0.000 0.000 0.298 203 F C 2.364 178.159 175.800 -0.008 0.000 1.096 203 F CA 0.972 58.960 58.000 -0.020 0.000 1.275 203 F CB -1.656 37.345 39.000 0.002 0.000 1.008 203 F HN -0.257 nan 8.300 nan 0.000 0.480 204 V N 0.589 120.598 119.914 0.159 0.000 2.287 204 V HA -0.317 3.803 4.120 0.000 0.000 0.248 204 V C 2.399 178.528 176.094 0.058 0.000 1.053 204 V CA 1.742 64.100 62.300 0.096 0.000 1.027 204 V CB -0.698 31.164 31.823 0.064 0.000 0.646 204 V HN 0.288 nan 8.190 nan 0.000 0.447 205 I N 0.493 121.074 120.570 0.018 0.000 2.091 205 I HA -0.314 3.856 4.170 0.000 0.000 0.239 205 I C 2.811 178.948 176.117 0.032 0.000 1.061 205 I CA 1.763 63.065 61.300 0.004 0.000 1.317 205 I CB -0.897 37.088 38.000 -0.025 0.000 1.031 205 I HN 0.328 nan 8.210 nan 0.000 0.401 206 A N 1.026 123.864 122.820 0.030 0.000 1.896 206 A HA -0.343 3.977 4.320 0.000 0.000 0.220 206 A C 2.554 180.185 177.584 0.077 0.000 1.206 206 A CA 2.811 54.880 52.037 0.053 0.000 0.647 206 A CB -1.160 17.885 19.000 0.075 0.000 0.828 206 A HN 0.526 nan 8.150 nan 0.000 0.455 207 A N -0.505 122.369 122.820 0.089 0.000 1.873 207 A HA -0.132 4.188 4.320 0.000 0.000 0.218 207 A C 2.233 179.873 177.584 0.094 0.000 1.193 207 A CA 1.752 53.840 52.037 0.085 0.000 0.629 207 A CB -0.748 18.302 19.000 0.084 0.000 0.826 207 A HN 0.529 nan 8.150 nan 0.000 0.447 208 L N -0.407 120.868 121.223 0.086 0.000 2.012 208 L HA -0.195 4.145 4.340 0.000 0.000 0.210 208 L C 2.539 179.489 176.870 0.134 0.000 1.073 208 L CA 1.421 56.318 54.840 0.096 0.000 0.748 208 L CB -0.820 41.270 42.059 0.053 0.000 0.891 208 L HN 0.273 nan 8.230 nan 0.000 0.431 209 V N 0.296 120.280 119.914 0.116 0.000 2.370 209 V HA -0.363 3.757 4.120 0.000 0.000 0.252 209 V C 2.763 178.986 176.094 0.214 0.000 1.068 209 V CA 1.831 64.237 62.300 0.177 0.000 1.061 209 V CB -1.213 30.691 31.823 0.135 0.000 0.656 209 V HN 0.514 nan 8.190 nan 0.000 0.455 210 A N 0.534 123.442 122.820 0.146 0.000 1.834 210 A HA -0.220 4.100 4.320 0.000 0.000 0.216 210 A C 2.164 179.856 177.584 0.179 0.000 1.203 210 A CA 2.274 54.379 52.037 0.114 0.000 0.621 210 A CB -0.696 18.346 19.000 0.070 0.000 0.841 210 A HN 0.468 nan 8.150 nan 0.000 0.446 211 I N -1.114 119.595 120.570 0.232 0.000 2.185 211 I HA -0.367 3.803 4.170 0.000 0.000 0.246 211 I C 2.537 178.820 176.117 0.276 0.000 1.088 211 I CA 2.149 63.640 61.300 0.318 0.000 1.347 211 I CB -0.751 37.405 38.000 0.260 0.000 1.041 211 I HN 0.595 nan 8.210 nan 0.000 0.415 212 H N 1.464 120.633 119.070 0.165 0.000 2.289 212 H HA -0.201 4.355 4.556 -0.000 0.000 0.294 212 H C 2.119 177.574 175.328 0.211 0.000 1.095 212 H CA 2.239 58.416 56.048 0.214 0.000 1.256 212 H CB -0.290 29.616 29.762 0.240 0.000 1.359 212 H HN 0.260 nan 8.280 nan 0.000 0.487 213 I N -1.226 119.405 120.570 0.102 0.000 2.179 213 I HA -0.281 3.889 4.170 0.000 0.000 0.242 213 I C 2.290 178.096 176.117 -0.519 0.000 1.088 213 I CA 1.180 62.174 61.300 -0.509 0.000 1.357 213 I CB -0.544 37.329 38.000 -0.212 0.000 1.051 213 I HN 0.397 nan 8.210 nan 0.000 0.409 214 W N 2.350 123.459 121.300 -0.318 0.000 2.321 214 W HA -0.278 4.382 4.660 -0.000 0.000 0.306 214 W C 2.538 178.967 176.519 -0.150 0.000 1.217 214 W CA 1.818 59.028 57.345 -0.225 0.000 1.257 214 W CB -0.602 28.793 29.460 -0.109 0.000 1.145 214 W HN 0.142 nan 8.180 nan 0.000 0.509 215 A N 0.338 123.110 122.820 -0.080 0.000 1.873 215 A HA -0.142 4.178 4.320 0.000 0.000 0.215 215 A C 1.950 179.521 177.584 -0.021 0.000 1.186 215 A CA 1.740 53.690 52.037 -0.145 0.000 0.616 215 A CB -1.713 17.262 19.000 -0.041 0.000 0.823 215 A HN 0.520 nan 8.150 nan 0.000 0.442 216 F N -2.020 117.930 119.950 -0.001 0.000 2.748 216 F HA 0.111 4.638 4.527 0.000 0.000 0.299 216 F C 1.723 177.514 175.800 -0.014 0.000 1.154 216 F CA 0.929 58.909 58.000 -0.033 0.000 1.446 216 F CB -0.780 38.158 39.000 -0.104 0.000 1.112 216 F HN 0.325 nan 8.300 nan 0.000 0.584 217 H N -0.417 118.498 119.070 -0.258 0.000 2.525 217 H HA 0.146 4.702 4.556 0.000 0.000 0.275 217 H C 1.532 176.860 175.328 0.001 0.000 0.984 217 H CA 1.084 57.051 56.048 -0.134 0.000 1.264 217 H CB 0.385 30.015 29.762 -0.220 0.000 1.432 217 H HN 0.318 nan 8.280 nan 0.000 0.549 218 S N -0.235 115.519 115.700 0.091 0.000 2.562 218 S HA -0.059 4.411 4.470 0.000 0.000 0.221 218 S C 1.870 176.494 174.600 0.040 0.000 0.975 218 S CA 1.122 59.355 58.200 0.055 0.000 0.918 218 S CB 0.120 63.279 63.200 -0.070 0.000 0.772 218 S HN 0.600 nan 8.310 nan 0.000 0.531 219 T N -1.922 112.660 114.554 0.046 0.000 3.004 219 T HA 0.519 4.869 4.350 0.000 0.000 0.266 219 T C 0.815 175.541 174.700 0.042 0.000 0.986 219 T CA 0.317 62.441 62.100 0.040 0.000 0.902 219 T CB 0.418 69.308 68.868 0.036 0.000 1.118 219 T HN 0.529 nan 8.240 nan 0.000 0.522 220 G N 1.856 110.684 108.800 0.047 0.000 2.716 220 G HA2 -0.142 3.818 3.960 0.000 0.000 0.686 220 G HA3 -0.142 3.818 3.960 0.000 0.000 0.686 220 G C -0.883 174.038 174.900 0.036 0.000 1.337 220 G CA -0.813 44.300 45.100 0.021 0.000 0.829 220 G HN 0.507 nan 8.290 nan 0.000 0.599 221 N N 0.229 118.930 118.700 0.001 0.000 2.444 221 N HA 0.258 4.998 4.740 0.000 0.000 0.255 221 N C 0.413 175.932 175.510 0.015 0.000 1.255 221 N CA -0.129 52.920 53.050 -0.001 0.000 0.933 221 N CB 0.906 39.351 38.487 -0.070 0.000 1.143 221 N HN 0.709 nan 8.380 nan 0.000 0.453 222 N N -0.052 118.704 118.700 0.093 0.000 2.492 222 N HA 0.189 4.929 4.740 0.000 0.000 0.289 222 N C -1.140 174.449 175.510 0.132 0.000 1.133 222 N CA -0.552 52.563 53.050 0.109 0.000 0.961 222 N CB 0.856 39.417 38.487 0.124 0.000 1.186 222 N HN 0.642 nan 8.380 nan 0.000 0.493 223 N N 0.181 118.876 118.700 -0.009 0.000 2.545 223 N HA 0.534 5.274 4.740 0.000 0.000 0.289 223 N C -2.438 172.989 175.510 -0.138 0.000 1.279 223 N CA -1.553 51.328 53.050 -0.283 0.000 0.824 223 N CB 1.747 40.070 38.487 -0.274 0.000 1.395 223 N HN 0.197 nan 8.380 nan 0.000 0.526 224 P HA -0.134 nan 4.420 nan 0.000 0.223 224 P C 0.757 178.171 177.300 0.191 0.000 1.144 224 P CA 1.345 64.442 63.100 -0.005 0.000 0.783 224 P CB -0.012 31.652 31.700 -0.060 0.000 0.771 225 T N -6.262 108.360 114.554 0.113 0.000 3.044 225 T HA 0.291 4.641 4.350 0.000 0.000 0.250 225 T C 1.683 176.513 174.700 0.217 0.000 1.081 225 T CA 0.613 62.851 62.100 0.230 0.000 1.040 225 T CB -0.705 68.290 68.868 0.212 0.000 0.962 225 T HN 0.178 nan 8.240 nan 0.000 0.506 226 G N 0.954 109.823 108.800 0.115 0.000 2.189 226 G HA2 -0.251 3.709 3.960 0.000 0.000 0.267 226 G HA3 -0.251 3.709 3.960 0.000 0.000 0.267 226 G C 0.114 175.037 174.900 0.039 0.000 0.975 226 G CA 0.231 45.369 45.100 0.063 0.000 0.644 226 G HN 0.754 nan 8.290 nan 0.000 0.537 227 V N 1.943 121.887 119.914 0.050 0.000 2.461 227 V HA 0.416 4.536 4.120 0.000 0.000 0.275 227 V C 0.853 176.946 176.094 -0.002 0.000 1.047 227 V CA -0.946 61.365 62.300 0.019 0.000 0.955 227 V CB 1.548 33.383 31.823 0.020 0.000 0.988 227 V HN 0.301 nan 8.190 nan 0.000 0.471 228 E N 2.608 122.802 120.200 -0.009 0.000 2.435 228 E HA 0.199 4.549 4.350 0.000 0.000 0.256 228 E C -0.204 176.387 176.600 -0.015 0.000 1.245 228 E CA -0.187 56.206 56.400 -0.012 0.000 0.989 228 E CB 0.791 30.485 29.700 -0.010 0.000 0.983 228 E HN 0.388 nan 8.360 nan 0.000 0.480 229 V N 1.473 121.379 119.914 -0.014 0.000 2.644 229 V HA 0.180 4.300 4.120 0.000 0.000 0.295 229 V C 0.779 176.870 176.094 -0.006 0.000 1.053 229 V CA -0.376 61.915 62.300 -0.014 0.000 0.987 229 V CB 0.968 32.784 31.823 -0.012 0.000 1.006 229 V HN 0.437 nan 8.190 nan 0.000 0.472 230 R N 3.760 124.257 120.500 -0.006 0.000 2.404 230 R HA 0.174 4.514 4.340 0.000 0.000 0.315 230 R C 0.466 176.768 176.300 0.003 0.000 1.032 230 R CA -0.300 55.799 56.100 -0.002 0.000 0.992 230 R CB 0.402 30.701 30.300 -0.003 0.000 0.959 230 R HN 0.492 nan 8.270 nan 0.000 0.428 231 R N 1.630 122.132 120.500 0.004 0.000 2.388 231 R HA 0.007 4.347 4.340 0.000 0.000 0.247 231 R C 1.165 177.467 176.300 0.002 0.000 0.931 231 R CA 0.320 56.424 56.100 0.007 0.000 1.082 231 R CB 0.020 30.326 30.300 0.010 0.000 1.135 231 R HN 0.665 nan 8.270 nan 0.000 0.525 232 T N -2.190 112.365 114.554 0.000 0.000 2.978 232 T HA 0.015 4.365 4.350 0.000 0.000 0.262 232 T C 1.016 175.714 174.700 -0.003 0.000 1.063 232 T CA 0.408 62.507 62.100 -0.002 0.000 1.140 232 T CB 0.122 68.989 68.868 -0.002 0.000 0.886 232 T HN 0.188 nan 8.240 nan 0.000 0.470 233 S N -0.649 115.050 115.700 -0.001 0.000 2.543 233 S HA 0.469 4.939 4.470 0.000 0.000 0.271 233 S C 0.242 174.845 174.600 0.004 0.000 1.148 233 S CA -1.058 57.142 58.200 -0.001 0.000 0.914 233 S CB 2.220 65.420 63.200 0.000 0.000 1.096 233 S HN 0.076 nan 8.310 nan 0.000 0.471 234 K N 1.334 121.736 120.400 0.004 0.000 2.127 234 K HA -0.215 4.105 4.320 0.000 0.000 0.208 234 K C 2.300 178.912 176.600 0.019 0.000 1.047 234 K CA 1.819 58.115 56.287 0.016 0.000 0.927 234 K CB -0.682 31.828 32.500 0.017 0.000 0.716 234 K HN 0.758 nan 8.250 nan 0.000 0.450 235 A N 2.319 125.147 122.820 0.013 0.000 1.842 235 A HA -0.269 4.051 4.320 0.000 0.000 0.217 235 A C 2.048 179.639 177.584 0.011 0.000 1.206 235 A CA 2.215 54.260 52.037 0.013 0.000 0.630 235 A CB -0.698 18.307 19.000 0.009 0.000 0.839 235 A HN 0.575 nan 8.150 nan 0.000 0.447 236 E N -0.282 119.923 120.200 0.007 0.000 2.208 236 E HA 0.074 4.424 4.350 0.000 0.000 0.193 236 E C 2.015 178.617 176.600 0.003 0.000 0.988 236 E CA 0.891 57.294 56.400 0.005 0.000 0.828 236 E CB -0.415 29.287 29.700 0.003 0.000 0.763 236 E HN 0.496 nan 8.360 nan 0.000 0.478 237 A N 2.005 124.829 122.820 0.007 0.000 1.883 237 A HA -0.258 4.062 4.320 0.000 0.000 0.217 237 A C 2.223 179.808 177.584 0.001 0.000 1.186 237 A CA 1.764 53.805 52.037 0.008 0.000 0.624 237 A CB -0.626 18.387 19.000 0.022 0.000 0.822 237 A HN 0.293 nan 8.150 nan 0.000 0.444 238 Q N -0.602 119.203 119.800 0.008 0.000 2.234 238 Q HA -0.187 4.153 4.340 0.000 0.000 0.206 238 Q C 1.921 177.905 176.000 -0.027 0.000 0.980 238 Q CA 1.631 57.433 55.803 -0.001 0.000 0.869 238 Q CB -0.180 28.567 28.738 0.016 0.000 0.912 238 Q HN 0.661 nan 8.270 nan 0.000 0.436 239 K N 0.186 120.577 120.400 -0.015 0.000 2.217 239 K HA -0.096 4.224 4.320 0.000 0.000 0.202 239 K C 1.272 177.852 176.600 -0.033 0.000 1.051 239 K CA 0.974 57.256 56.287 -0.009 0.000 0.952 239 K CB 0.266 32.771 32.500 0.010 0.000 0.736 239 K HN 0.129 nan 8.250 nan 0.000 0.453 240 D N -0.041 120.329 120.400 -0.051 0.000 2.271 240 D HA -0.039 4.601 4.640 0.000 0.000 0.206 240 D C 1.064 177.272 176.300 -0.153 0.000 0.967 240 D CA 0.893 54.843 54.000 -0.083 0.000 0.867 240 D CB 0.444 41.214 40.800 -0.049 0.000 0.960 240 D HN 0.296 nan 8.370 nan 0.000 0.509 241 T N -1.875 112.602 114.554 -0.127 0.000 2.762 241 T HA 0.632 4.982 4.350 0.000 0.000 0.272 241 T C -0.310 174.283 174.700 -0.179 0.000 0.982 241 T CA -0.732 61.289 62.100 -0.133 0.000 1.013 241 T CB 2.026 70.875 68.868 -0.031 0.000 1.309 241 T HN -0.101 nan 8.240 nan 0.000 0.572 242 V N -2.525 117.302 119.914 -0.145 0.000 3.120 242 V HA 0.823 4.943 4.120 0.000 0.000 0.303 242 V C -3.202 172.913 176.094 0.034 0.000 1.238 242 V CA -2.627 59.545 62.300 -0.213 0.000 1.008 242 V CB 1.891 33.322 31.823 -0.653 0.000 1.064 242 V HN 0.964 nan 8.190 nan 0.000 0.434 243 P HA 0.138 nan 4.420 nan 0.000 0.271 243 P C 0.539 178.058 177.300 0.365 0.000 1.216 243 P CA 0.067 63.329 63.100 0.270 0.000 0.776 243 P CB 0.877 32.739 31.700 0.269 0.000 0.881 244 F N 3.842 123.952 119.950 0.267 0.000 2.063 244 F HA -0.118 4.409 4.527 0.000 0.000 0.298 244 F C 0.950 176.929 175.800 0.300 0.000 1.109 244 F CA 1.163 59.389 58.000 0.377 0.000 1.212 244 F CB -0.423 38.763 39.000 0.311 0.000 0.973 244 F HN 0.363 nan 8.300 nan 0.000 0.480 245 W N 3.572 124.911 121.300 0.065 0.000 2.316 245 W HA 0.254 4.914 4.660 0.000 0.000 0.311 245 W C -2.190 174.253 176.519 -0.127 0.000 1.217 245 W CA -1.961 55.326 57.345 -0.096 0.000 1.199 245 W CB 0.946 30.398 29.460 -0.013 0.000 1.202 245 W HN 0.011 nan 8.180 nan 0.000 0.528 246 P HA -0.041 nan 4.420 nan 0.000 0.264 246 P C 0.830 177.581 177.300 -0.915 0.000 1.259 246 P CA 0.483 62.592 63.100 -1.651 0.000 0.841 246 P CB 0.332 30.749 31.700 -2.138 0.000 1.232 247 Y N 0.210 120.160 120.300 -0.583 0.000 2.002 247 Y HA -0.251 4.299 4.550 -0.000 0.000 0.268 247 Y C 2.275 177.836 175.900 -0.565 0.000 1.177 247 Y CA 1.949 59.709 58.100 -0.567 0.000 1.111 247 Y CB -1.761 36.307 38.460 -0.653 0.000 0.952 247 Y HN -0.128 nan 8.280 nan 0.000 0.491 248 F N -1.484 118.332 119.950 -0.224 0.000 2.179 248 F HA -0.109 4.418 4.527 -0.000 0.000 0.292 248 F C 2.383 177.960 175.800 -0.371 0.000 1.089 248 F CA 0.357 58.191 58.000 -0.278 0.000 1.295 248 F CB -0.978 37.879 39.000 -0.239 0.000 1.041 248 F HN -0.059 nan 8.300 nan 0.000 0.487 249 I N 0.348 120.619 120.570 -0.498 0.000 2.227 249 I HA -0.364 3.806 4.170 0.000 0.000 0.250 249 I C 2.352 178.438 176.117 -0.052 0.000 1.087 249 I CA 1.845 63.005 61.300 -0.234 0.000 1.352 249 I CB -0.971 36.995 38.000 -0.056 0.000 1.043 249 I HN 0.190 nan 8.210 nan 0.000 0.425 250 I N 0.711 121.209 120.570 -0.121 0.000 2.235 250 I HA -0.278 3.892 4.170 0.000 0.000 0.241 250 I C 2.569 178.759 176.117 0.121 0.000 1.085 250 I CA 1.034 62.313 61.300 -0.035 0.000 1.378 250 I CB -0.304 37.609 38.000 -0.145 0.000 1.076 250 I HN 0.268 nan 8.210 nan 0.000 0.415 251 K N 0.583 121.083 120.400 0.166 0.000 2.103 251 K HA -0.208 4.112 4.320 0.000 0.000 0.207 251 K C 1.392 178.197 176.600 0.343 0.000 1.048 251 K CA 1.816 58.335 56.287 0.386 0.000 0.930 251 K CB -0.456 32.294 32.500 0.417 0.000 0.716 251 K HN 0.161 nan 8.250 nan 0.000 0.444 252 D N 1.469 122.011 120.400 0.237 0.000 2.103 252 D HA -0.158 4.482 4.640 0.000 0.000 0.190 252 D C 2.064 178.429 176.300 0.109 0.000 0.997 252 D CA 1.553 55.657 54.000 0.172 0.000 0.833 252 D CB -0.370 40.541 40.800 0.185 0.000 0.961 252 D HN 0.045 nan 8.370 nan 0.000 0.447 253 V N 0.874 120.865 119.914 0.128 0.000 2.332 253 V HA -0.242 3.878 4.120 0.000 0.000 0.248 253 V C 2.105 178.273 176.094 0.123 0.000 1.055 253 V CA 1.431 63.795 62.300 0.108 0.000 1.038 253 V CB -0.618 31.277 31.823 0.121 0.000 0.651 253 V HN 0.140 nan 8.190 nan 0.000 0.450 254 F N 1.983 121.957 119.950 0.040 0.000 2.046 254 F HA -0.208 4.319 4.527 -0.000 0.000 0.297 254 F C 2.300 178.088 175.800 -0.021 0.000 1.123 254 F CA 1.610 59.626 58.000 0.028 0.000 1.199 254 F CB -1.146 37.902 39.000 0.080 0.000 0.972 254 F HN 0.084 nan 8.300 nan 0.000 0.474 255 A N 0.838 123.342 122.820 -0.526 0.000 1.865 255 A HA -0.209 4.111 4.320 0.000 0.000 0.217 255 A C 2.217 179.528 177.584 -0.456 0.000 1.191 255 A CA 1.886 53.489 52.037 -0.723 0.000 0.623 255 A CB -1.557 17.193 19.000 -0.416 0.000 0.826 255 A HN 0.511 nan 8.150 nan 0.000 0.444 256 L N -0.370 120.692 121.223 -0.268 0.000 2.103 256 L HA -0.275 4.065 4.340 0.000 0.000 0.215 256 L C 2.766 179.490 176.870 -0.243 0.000 1.080 256 L CA 2.305 56.993 54.840 -0.252 0.000 0.764 256 L CB -0.690 41.270 42.059 -0.166 0.000 0.890 256 L HN 0.435 nan 8.230 nan 0.000 0.435 257 A N -1.584 121.137 122.820 -0.166 0.000 1.841 257 A HA -0.144 4.176 4.320 0.000 0.000 0.214 257 A C 2.224 179.753 177.584 -0.091 0.000 1.195 257 A CA 1.943 53.932 52.037 -0.079 0.000 0.611 257 A CB -1.088 17.925 19.000 0.020 0.000 0.835 257 A HN 0.251 nan 8.150 nan 0.000 0.443 258 V N 0.076 119.868 119.914 -0.203 0.000 2.324 258 V HA -0.286 3.834 4.120 0.000 0.000 0.250 258 V C 2.557 178.591 176.094 -0.101 0.000 1.060 258 V CA 2.134 64.326 62.300 -0.180 0.000 1.042 258 V CB -1.227 30.369 31.823 -0.379 0.000 0.650 258 V HN 0.369 nan 8.190 nan 0.000 0.450 259 V N -0.073 119.751 119.914 -0.149 0.000 2.233 259 V HA -0.292 3.828 4.120 0.000 0.000 0.247 259 V C 2.368 178.494 176.094 0.054 0.000 1.050 259 V CA 2.295 64.560 62.300 -0.058 0.000 1.010 259 V CB -0.726 31.018 31.823 -0.131 0.000 0.637 259 V HN 0.440 nan 8.190 nan 0.000 0.444 260 L N -0.586 120.651 121.223 0.024 0.000 2.081 260 L HA -0.227 4.113 4.340 0.000 0.000 0.212 260 L C 2.533 179.650 176.870 0.412 0.000 1.080 260 L CA 1.320 56.313 54.840 0.254 0.000 0.754 260 L CB -0.760 41.420 42.059 0.201 0.000 0.893 260 L HN 0.377 nan 8.230 nan 0.000 0.433 261 L N -0.002 121.355 121.223 0.223 0.000 1.971 261 L HA -0.203 4.137 4.340 0.000 0.000 0.215 261 L C 2.448 179.454 176.870 0.226 0.000 1.072 261 L CA 1.970 56.929 54.840 0.197 0.000 0.758 261 L CB -0.720 41.400 42.059 0.101 0.000 0.889 261 L HN -0.042 nan 8.230 nan 0.000 0.433 262 V N -0.411 119.612 119.914 0.182 0.000 2.295 262 V HA -0.305 3.815 4.120 0.000 0.000 0.246 262 V C 2.345 178.578 176.094 0.231 0.000 1.049 262 V CA 2.014 64.420 62.300 0.178 0.000 1.024 262 V CB -1.179 30.731 31.823 0.145 0.000 0.648 262 V HN 0.544 nan 8.190 nan 0.000 0.447 263 F N 1.025 121.026 119.950 0.085 0.000 2.043 263 F HA -0.240 4.288 4.527 0.000 0.000 0.297 263 F C 2.113 177.908 175.800 -0.008 0.000 1.121 263 F CA 1.644 59.652 58.000 0.014 0.000 1.199 263 F CB -0.867 38.090 39.000 -0.073 0.000 0.968 263 F HN 0.134 nan 8.300 nan 0.000 0.478 264 F N 0.595 120.468 119.950 -0.128 0.000 2.161 264 F HA -0.148 4.379 4.527 -0.000 0.000 0.300 264 F C 2.623 178.330 175.800 -0.155 0.000 1.089 264 F CA 1.466 59.310 58.000 -0.260 0.000 1.282 264 F CB -1.387 37.568 39.000 -0.077 0.000 1.010 264 F HN 0.124 nan 8.300 nan 0.000 0.485 265 A N 0.597 123.531 122.820 0.190 0.000 1.903 265 A HA -0.224 4.096 4.320 0.000 0.000 0.219 265 A C 2.256 179.953 177.584 0.188 0.000 1.191 265 A CA 1.996 54.190 52.037 0.262 0.000 0.638 265 A CB -0.900 18.245 19.000 0.242 0.000 0.823 265 A HN 0.297 nan 8.150 nan 0.000 0.451 266 I N -0.035 120.571 120.570 0.059 0.000 2.133 266 I HA -0.175 3.995 4.170 0.000 0.000 0.238 266 I C 2.497 178.556 176.117 -0.097 0.000 1.074 266 I CA 1.447 62.757 61.300 0.016 0.000 1.342 266 I CB -1.576 36.450 38.000 0.044 0.000 1.053 266 I HN 0.182 nan 8.210 nan 0.000 0.404 267 V N 1.424 121.178 119.914 -0.268 0.000 2.568 267 V HA -0.170 3.950 4.120 0.000 0.000 0.253 267 V C 2.577 178.550 176.094 -0.202 0.000 1.072 267 V CA 1.891 64.009 62.300 -0.303 0.000 1.084 267 V CB -1.639 29.845 31.823 -0.566 0.000 0.676 267 V HN 0.540 nan 8.190 nan 0.000 0.469 268 G N -0.701 107.956 108.800 -0.239 0.000 2.417 268 G HA2 -0.077 3.883 3.960 0.000 0.000 0.212 268 G HA3 -0.077 3.883 3.960 0.000 0.000 0.212 268 G C 1.270 175.829 174.900 -0.568 0.000 1.187 268 G CA 0.552 45.388 45.100 -0.440 0.000 0.804 268 G HN 0.482 nan 8.290 nan 0.000 0.534 269 F N 0.417 120.359 119.950 -0.012 0.000 2.530 269 F HA 0.382 4.909 4.527 0.000 0.000 0.292 269 F C 1.592 177.362 175.800 -0.051 0.000 1.109 269 F CA 0.299 58.283 58.000 -0.026 0.000 1.450 269 F CB 0.217 39.204 39.000 -0.023 0.000 1.114 269 F HN 0.062 nan 8.300 nan 0.000 0.560 270 M N -0.422 119.215 119.600 0.061 0.000 3.600 270 M HA 0.371 4.851 4.480 0.000 0.000 0.397 270 M C -2.490 173.801 176.300 -0.016 0.000 1.860 270 M CA -1.245 54.070 55.300 0.024 0.000 0.514 270 M CB 0.958 33.567 32.600 0.014 0.000 1.473 270 M HN -0.286 nan 8.290 nan 0.000 0.485 271 P HA -0.126 nan 4.420 nan 0.000 0.217 271 P C 0.367 177.566 177.300 -0.169 0.000 1.150 271 P CA 1.477 64.362 63.100 -0.358 0.000 0.832 271 P CB 0.028 31.058 31.700 -1.117 0.000 0.787 272 N N -1.550 117.108 118.700 -0.070 0.000 2.383 272 N HA -0.051 4.689 4.740 0.000 0.000 0.192 272 N C 1.494 177.111 175.510 0.177 0.000 1.141 272 N CA -0.041 53.084 53.050 0.125 0.000 0.851 272 N CB -0.541 38.075 38.487 0.215 0.000 0.976 272 N HN 0.175 nan 8.380 nan 0.000 0.465 273 Y N 1.882 122.200 120.300 0.031 0.000 2.089 273 Y HA -0.040 4.510 4.550 0.000 0.000 0.282 273 Y C 1.838 177.764 175.900 0.043 0.000 1.139 273 Y CA 1.366 59.484 58.100 0.030 0.000 1.123 273 Y CB -0.479 37.988 38.460 0.012 0.000 0.980 273 Y HN -0.046 nan 8.280 nan 0.000 0.493 274 L N 0.422 121.633 121.223 -0.021 0.000 2.700 274 L HA 0.049 4.389 4.340 0.000 0.000 0.240 274 L C 0.994 177.890 176.870 0.042 0.000 1.162 274 L CA 0.411 55.210 54.840 -0.068 0.000 0.874 274 L CB -1.240 40.906 42.059 0.145 0.000 1.001 274 L HN 0.294 nan 8.230 nan 0.000 0.447 275 G N -2.514 106.313 108.800 0.045 0.000 2.600 275 G HA2 0.293 4.253 3.960 0.000 0.000 0.303 275 G HA3 0.293 4.253 3.960 0.000 0.000 0.303 275 G C -1.454 173.503 174.900 0.095 0.000 1.253 275 G CA -0.445 44.715 45.100 0.100 0.000 0.974 275 G HN -0.032 nan 8.290 nan 0.000 0.483 276 H N 1.062 120.185 119.070 0.089 0.000 2.705 276 H HA 0.282 4.838 4.556 0.000 0.000 0.291 276 H C -1.558 173.838 175.328 0.115 0.000 1.085 276 H CA -1.892 54.214 56.048 0.096 0.000 1.357 276 H CB 1.978 31.809 29.762 0.116 0.000 1.419 276 H HN 0.062 nan 8.280 nan 0.000 0.462 277 P HA -0.140 nan 4.420 nan 0.000 0.218 277 P C 0.624 178.179 177.300 0.425 0.000 1.146 277 P CA 1.168 64.481 63.100 0.354 0.000 0.820 277 P CB 0.425 32.250 31.700 0.207 0.000 0.778 278 D N -2.232 118.524 120.400 0.592 0.000 2.363 278 D HA -0.063 4.577 4.640 0.000 0.000 0.220 278 D C 1.314 177.693 176.300 0.131 0.000 0.994 278 D CA 0.634 54.808 54.000 0.290 0.000 0.890 278 D CB -0.759 40.109 40.800 0.113 0.000 0.906 278 D HN 0.044 nan 8.370 nan 0.000 0.530 279 N N -0.674 118.092 118.700 0.110 0.000 2.383 279 N HA -0.047 4.693 4.740 0.000 0.000 0.192 279 N C -0.123 175.421 175.510 0.056 0.000 1.141 279 N CA 0.188 53.224 53.050 -0.022 0.000 0.851 279 N CB 0.013 38.433 38.487 -0.112 0.000 0.976 279 N HN 0.149 nan 8.380 nan 0.000 0.465 280 Y N -0.312 120.137 120.300 0.248 0.000 2.571 280 Y HA 0.341 4.891 4.550 0.000 0.000 0.275 280 Y C 0.055 176.125 175.900 0.283 0.000 1.179 280 Y CA -0.369 57.942 58.100 0.353 0.000 1.242 280 Y CB 0.379 39.002 38.460 0.271 0.000 1.126 280 Y HN -0.061 nan 8.280 nan 0.000 0.524 281 I N 0.927 121.611 120.570 0.190 0.000 2.404 281 I HA 0.186 4.356 4.170 0.000 0.000 0.293 281 I C 0.063 175.972 176.117 -0.346 0.000 0.992 281 I CA -1.080 60.220 61.300 0.000 0.000 1.149 281 I CB 1.481 39.497 38.000 0.026 0.000 1.315 281 I HN 0.140 nan 8.210 nan 0.000 0.446 282 E N 3.589 123.466 120.200 -0.539 0.000 2.413 282 E HA 0.286 4.636 4.350 0.000 0.000 0.263 282 E C 0.262 176.576 176.600 -0.478 0.000 1.015 282 E CA -0.385 55.526 56.400 -0.815 0.000 0.916 282 E CB 0.676 30.043 29.700 -0.555 0.000 0.947 282 E HN 0.688 nan 8.360 nan 0.000 0.440 283 A N 3.615 126.107 122.820 -0.546 0.000 2.567 283 A HA -0.033 4.287 4.320 0.000 0.000 0.240 283 A C 0.095 177.344 177.584 -0.558 0.000 1.053 283 A CA 0.077 51.732 52.037 -0.638 0.000 0.755 283 A CB 0.014 18.327 19.000 -1.144 0.000 0.978 283 A HN 0.548 nan 8.150 nan 0.000 0.507 284 N N 2.837 121.254 118.700 -0.470 0.000 2.491 284 N HA 0.398 5.138 4.740 0.000 0.000 0.274 284 N C -2.555 172.769 175.510 -0.310 0.000 1.023 284 N CA -2.082 50.791 53.050 -0.294 0.000 0.902 284 N CB 2.006 40.464 38.487 -0.048 0.000 1.267 284 N HN 0.130 nan 8.380 nan 0.000 0.503 285 P HA 0.089 nan 4.420 nan 0.000 0.234 285 P C 0.530 177.980 177.300 0.249 0.000 1.167 285 P CA 0.843 63.787 63.100 -0.260 0.000 0.763 285 P CB 0.383 31.907 31.700 -0.293 0.000 0.835 286 L N -1.648 119.700 121.223 0.208 0.000 2.965 286 L HA 0.338 4.678 4.340 0.000 0.000 0.254 286 L C 0.408 177.415 176.870 0.229 0.000 1.220 286 L CA -0.017 54.959 54.840 0.226 0.000 1.023 286 L CB 0.192 42.313 42.059 0.103 0.000 1.355 286 L HN -0.160 nan 8.230 nan 0.000 0.545 287 R N -0.545 120.183 120.500 0.381 0.000 2.572 287 R HA 0.292 4.632 4.340 0.000 0.000 0.273 287 R C -1.121 175.232 176.300 0.088 0.000 1.168 287 R CA -0.205 55.989 56.100 0.158 0.000 1.021 287 R CB 2.088 32.448 30.300 0.099 0.000 1.249 287 R HN -0.174 nan 8.270 nan 0.000 0.423 288 T N 4.982 119.295 114.554 -0.402 0.000 2.749 288 T HA 0.331 4.681 4.350 0.000 0.000 0.287 288 T C -2.393 172.084 174.700 -0.370 0.000 0.970 288 T CA -1.430 60.162 62.100 -0.847 0.000 0.980 288 T CB 1.370 69.530 68.868 -1.180 0.000 0.924 288 T HN 0.253 nan 8.240 nan 0.000 0.456 289 P HA 0.140 nan 4.420 nan 0.000 0.264 289 P C 0.537 177.729 177.300 -0.180 0.000 1.183 289 P CA -0.148 62.880 63.100 -0.121 0.000 0.763 289 P CB 0.438 32.118 31.700 -0.033 0.000 0.807 290 A N 3.169 125.848 122.820 -0.235 0.000 2.070 290 A HA -0.173 4.147 4.320 0.000 0.000 0.220 290 A C 1.013 178.387 177.584 -0.351 0.000 1.159 290 A CA 1.366 53.199 52.037 -0.340 0.000 0.656 290 A CB -0.799 17.917 19.000 -0.473 0.000 0.800 290 A HN 0.598 nan 8.150 nan 0.000 0.453 291 H N -1.135 117.953 119.070 0.029 0.000 2.469 291 H HA 0.274 4.830 4.556 0.000 0.000 0.286 291 H C 0.114 175.524 175.328 0.136 0.000 1.106 291 H CA -0.982 55.115 56.048 0.081 0.000 1.055 291 H CB -0.429 29.402 29.762 0.115 0.000 1.618 291 H HN 0.505 nan 8.280 nan 0.000 0.559 292 I N 2.030 122.645 120.570 0.076 0.000 2.742 292 I HA -0.031 4.139 4.170 0.000 0.000 0.287 292 I C -0.754 175.367 176.117 0.007 0.000 1.186 292 I CA 0.467 61.753 61.300 -0.023 0.000 1.417 292 I CB -0.010 37.940 38.000 -0.084 0.000 1.377 292 I HN -0.192 nan 8.210 nan 0.000 0.556 293 V N 7.482 127.400 119.914 0.007 0.000 2.888 293 V HA 0.462 4.582 4.120 0.000 0.000 0.309 293 V C -2.224 173.782 176.094 -0.148 0.000 1.114 293 V CA -1.258 60.994 62.300 -0.080 0.000 0.940 293 V CB 1.726 33.568 31.823 0.031 0.000 1.021 293 V HN 0.677 nan 8.190 nan 0.000 0.426 294 P HA 0.341 nan 4.420 nan 0.000 0.275 294 P C -0.841 176.274 177.300 -0.308 0.000 1.266 294 P CA -0.599 62.321 63.100 -0.301 0.000 0.793 294 P CB 0.456 31.915 31.700 -0.402 0.000 1.074 295 E N 0.923 120.833 120.200 -0.483 0.000 2.351 295 E HA -0.053 4.297 4.350 0.000 0.000 0.266 295 E C 1.071 177.135 176.600 -0.893 0.000 1.031 295 E CA -0.065 55.795 56.400 -0.900 0.000 0.911 295 E CB -0.274 28.396 29.700 -1.716 0.000 0.986 295 E HN 0.520 nan 8.360 nan 0.000 0.446 296 W N 4.979 125.965 121.300 -0.524 0.000 2.255 296 W HA -0.395 4.265 4.660 0.000 0.000 0.318 296 W C 0.854 177.227 176.519 -0.244 0.000 1.277 296 W CA 1.629 58.785 57.345 -0.315 0.000 1.286 296 W CB -1.102 28.241 29.460 -0.195 0.000 1.132 296 W HN 0.756 nan 8.180 nan 0.000 0.504 297 Y N -2.231 117.011 120.300 -1.762 0.000 2.680 297 Y HA 0.112 4.662 4.550 0.000 0.000 0.303 297 Y C 1.443 176.972 175.900 -0.619 0.000 1.166 297 Y CA -0.038 57.119 58.100 -1.571 0.000 1.344 297 Y CB -1.801 35.359 38.460 -2.166 0.000 1.002 297 Y HN -0.158 nan 8.280 nan 0.000 0.537 298 F N -0.712 118.960 119.950 -0.464 0.000 2.711 298 F HA 0.220 4.747 4.527 -0.000 0.000 0.296 298 F C 1.880 177.602 175.800 -0.130 0.000 1.096 298 F CA -1.045 56.833 58.000 -0.204 0.000 1.280 298 F CB -0.691 38.138 39.000 -0.285 0.000 1.060 298 F HN 0.066 nan 8.300 nan 0.000 0.608 299 L N 1.650 122.868 121.223 -0.009 0.000 2.026 299 L HA -0.294 4.046 4.340 0.000 0.000 0.231 299 L C -0.082 176.743 176.870 -0.074 0.000 1.095 299 L CA 2.422 57.249 54.840 -0.021 0.000 0.810 299 L CB -2.295 39.731 42.059 -0.055 0.000 0.909 299 L HN 0.055 nan 8.230 nan 0.000 0.444 300 P HA -0.247 nan 4.420 nan 0.000 0.214 300 P C 1.637 178.630 177.300 -0.511 0.000 1.169 300 P CA 2.020 64.783 63.100 -0.562 0.000 0.908 300 P CB -0.285 30.776 31.700 -1.065 0.000 0.791 301 F N -1.718 118.093 119.950 -0.231 0.000 2.307 301 F HA -0.145 4.383 4.527 0.000 0.000 0.301 301 F C 2.758 178.452 175.800 -0.177 0.000 1.076 301 F CA 1.038 58.896 58.000 -0.236 0.000 1.383 301 F CB -1.660 37.199 39.000 -0.236 0.000 1.055 301 F HN -0.062 nan 8.300 nan 0.000 0.526 302 Y N 0.811 121.042 120.300 -0.115 0.000 2.184 302 Y HA -0.068 4.482 4.550 -0.000 0.000 0.290 302 Y C 2.315 178.120 175.900 -0.158 0.000 1.129 302 Y CA 0.842 58.857 58.100 -0.141 0.000 1.144 302 Y CB -0.875 37.509 38.460 -0.126 0.000 0.995 302 Y HN -0.037 nan 8.280 nan 0.000 0.513 303 A N 1.334 124.019 122.820 -0.225 0.000 1.849 303 A HA -0.254 4.066 4.320 0.000 0.000 0.217 303 A C 2.356 179.725 177.584 -0.358 0.000 1.202 303 A CA 2.500 54.324 52.037 -0.356 0.000 0.629 303 A CB -1.404 17.444 19.000 -0.253 0.000 0.834 303 A HN 0.583 nan 8.150 nan 0.000 0.447 304 I N -0.720 119.691 120.570 -0.265 0.000 2.113 304 I HA -0.337 3.833 4.170 0.000 0.000 0.242 304 I C 2.582 178.615 176.117 -0.140 0.000 1.057 304 I CA 2.026 63.221 61.300 -0.175 0.000 1.314 304 I CB -0.441 37.524 38.000 -0.059 0.000 1.022 304 I HN 0.505 nan 8.210 nan 0.000 0.408 305 L N 1.420 122.571 121.223 -0.119 0.000 2.043 305 L HA -0.244 4.096 4.340 0.000 0.000 0.212 305 L C 2.712 179.501 176.870 -0.134 0.000 1.075 305 L CA 1.854 56.652 54.840 -0.069 0.000 0.752 305 L CB -0.321 41.667 42.059 -0.118 0.000 0.891 305 L HN 0.268 nan 8.230 nan 0.000 0.432 306 R N -0.891 119.403 120.500 -0.342 0.000 2.310 306 R HA 0.199 4.539 4.340 0.000 0.000 0.202 306 R C 1.763 177.859 176.300 -0.340 0.000 0.933 306 R CA 0.649 56.549 56.100 -0.332 0.000 1.054 306 R CB -0.349 29.666 30.300 -0.475 0.000 0.985 306 R HN 0.309 nan 8.270 nan 0.000 0.489 307 A N 1.655 124.196 122.820 -0.464 0.000 1.898 307 A HA 0.007 4.327 4.320 0.000 0.000 0.216 307 A C 0.321 177.551 177.584 -0.590 0.000 1.181 307 A CA 0.487 52.153 52.037 -0.619 0.000 0.620 307 A CB -0.387 18.070 19.000 -0.904 0.000 0.819 307 A HN 0.297 nan 8.150 nan 0.000 0.442 308 F N 1.409 121.305 119.950 -0.088 0.000 2.494 308 F HA 0.373 4.900 4.527 0.000 0.000 0.351 308 F C 1.032 176.774 175.800 -0.096 0.000 1.205 308 F CA 0.099 58.050 58.000 -0.081 0.000 1.125 308 F CB -0.197 38.867 39.000 0.106 0.000 1.268 308 F HN 0.058 nan 8.300 nan 0.000 0.593 309 T N 0.575 115.117 114.554 -0.019 0.000 2.923 309 T HA 0.614 4.964 4.350 0.000 0.000 0.281 309 T C 1.259 175.941 174.700 -0.029 0.000 0.995 309 T CA -0.309 61.772 62.100 -0.031 0.000 0.985 309 T CB 1.506 70.331 68.868 -0.071 0.000 1.114 309 T HN 0.536 nan 8.240 nan 0.000 0.548 310 A N 0.884 123.695 122.820 -0.016 0.000 2.259 310 A HA 0.083 4.403 4.320 0.000 0.000 0.212 310 A C 1.079 178.659 177.584 -0.007 0.000 1.178 310 A CA 1.454 53.484 52.037 -0.012 0.000 0.734 310 A CB -0.803 18.200 19.000 0.006 0.000 0.774 310 A HN 0.891 nan 8.150 nan 0.000 0.481 311 D N -1.409 118.983 120.400 -0.014 0.000 2.395 311 D HA 0.238 4.878 4.640 0.000 0.000 0.213 311 D C -0.285 176.030 176.300 0.025 0.000 1.110 311 D CA -0.072 53.941 54.000 0.022 0.000 0.835 311 D CB 0.675 41.483 40.800 0.013 0.000 0.965 311 D HN 0.121 nan 8.370 nan 0.000 0.505 312 V N 1.883 121.772 119.914 -0.042 0.000 2.455 312 V HA -0.019 4.101 4.120 0.000 0.000 0.273 312 V C 0.667 176.792 176.094 0.053 0.000 1.045 312 V CA -0.629 61.617 62.300 -0.089 0.000 0.976 312 V CB 0.750 32.514 31.823 -0.098 0.000 0.993 312 V HN 0.246 nan 8.190 nan 0.000 0.475 313 W N 3.626 124.866 121.300 -0.099 0.000 2.290 313 W HA -0.202 4.458 4.660 -0.000 0.000 0.323 313 W C 2.110 178.558 176.519 -0.118 0.000 1.260 313 W CA 1.508 58.804 57.345 -0.083 0.000 1.266 313 W CB -1.314 28.123 29.460 -0.038 0.000 1.149 313 W HN 0.437 nan 8.180 nan 0.000 0.482 314 V N -0.040 119.925 119.914 0.085 0.000 2.392 314 V HA -0.321 3.799 4.120 0.000 0.000 0.249 314 V C 2.221 178.152 176.094 -0.273 0.000 1.059 314 V CA 1.789 64.055 62.300 -0.056 0.000 1.051 314 V CB -1.458 30.318 31.823 -0.078 0.000 0.658 314 V HN 0.027 nan 8.190 nan 0.000 0.455 315 V N -0.305 119.336 119.914 -0.454 0.000 2.255 315 V HA -0.346 3.774 4.120 0.000 0.000 0.247 315 V C 2.512 178.460 176.094 -0.243 0.000 1.051 315 V CA 2.328 64.249 62.300 -0.633 0.000 1.018 315 V CB -0.733 30.806 31.823 -0.473 0.000 0.641 315 V HN 0.610 nan 8.190 nan 0.000 0.445 316 Q N -0.470 119.271 119.800 -0.098 0.000 2.014 316 Q HA -0.228 4.112 4.340 0.000 0.000 0.207 316 Q C 2.281 178.293 176.000 0.020 0.000 0.993 316 Q CA 2.283 58.077 55.803 -0.014 0.000 0.850 316 Q CB -0.415 28.330 28.738 0.011 0.000 0.916 316 Q HN 0.556 nan 8.270 nan 0.000 0.417 317 I N 1.048 121.624 120.570 0.009 0.000 2.091 317 I HA -0.392 3.778 4.170 0.000 0.000 0.240 317 I C 2.554 178.729 176.117 0.095 0.000 1.046 317 I CA 1.439 62.765 61.300 0.043 0.000 1.306 317 I CB -0.652 37.367 38.000 0.032 0.000 1.018 317 I HN 0.252 nan 8.210 nan 0.000 0.404 318 A N 0.748 123.591 122.820 0.038 0.000 1.883 318 A HA -0.317 4.003 4.320 0.000 0.000 0.217 318 A C 2.026 179.655 177.584 0.074 0.000 1.186 318 A CA 2.576 54.654 52.037 0.068 0.000 0.624 318 A CB -1.069 17.977 19.000 0.076 0.000 0.822 318 A HN 0.591 nan 8.150 nan 0.000 0.444 319 N N -1.305 117.424 118.700 0.049 0.000 2.120 319 N HA -0.179 4.561 4.740 0.000 0.000 0.188 319 N C 1.417 176.950 175.510 0.038 0.000 1.024 319 N CA 1.943 55.027 53.050 0.056 0.000 0.852 319 N CB -0.409 38.103 38.487 0.042 0.000 1.003 319 N HN 0.428 nan 8.380 nan 0.000 0.424 320 F N 1.189 121.090 119.950 -0.081 0.000 2.031 320 F HA -0.003 4.524 4.527 0.000 0.000 0.295 320 F C 2.031 177.692 175.800 -0.233 0.000 1.133 320 F CA 1.504 59.415 58.000 -0.149 0.000 1.188 320 F CB -0.583 38.337 39.000 -0.133 0.000 0.974 320 F HN 0.047 nan 8.300 nan 0.000 0.473 321 I N 0.472 120.979 120.570 -0.104 0.000 2.236 321 I HA -0.364 3.806 4.170 0.000 0.000 0.249 321 I C 2.275 178.274 176.117 -0.197 0.000 1.102 321 I CA 1.861 63.050 61.300 -0.184 0.000 1.365 321 I CB -0.990 37.038 38.000 0.047 0.000 1.051 321 I HN 0.376 nan 8.210 nan 0.000 0.420 322 S N -0.269 115.396 115.700 -0.057 0.000 2.593 322 S HA 0.010 4.480 4.470 0.000 0.000 0.217 322 S C 0.788 175.544 174.600 0.260 0.000 0.966 322 S CA -0.380 57.903 58.200 0.139 0.000 0.914 322 S CB -0.603 62.678 63.200 0.135 0.000 0.776 322 S HN 0.416 nan 8.310 nan 0.000 0.523 323 F N 1.125 120.981 119.950 -0.157 0.000 3.074 323 F HA -0.137 4.390 4.527 0.000 0.000 0.287 323 F C 1.579 177.336 175.800 -0.072 0.000 0.932 323 F CA 0.623 58.534 58.000 -0.149 0.000 0.995 323 F CB -1.960 36.968 39.000 -0.120 0.000 0.966 323 F HN 0.514 nan 8.300 nan 0.000 0.721 324 G N -0.650 108.180 108.800 0.050 0.000 2.458 324 G HA2 -0.421 3.539 3.960 0.000 0.000 0.237 324 G HA3 -0.421 3.539 3.960 0.000 0.000 0.237 324 G C 1.205 176.160 174.900 0.091 0.000 1.113 324 G CA 0.291 45.431 45.100 0.067 0.000 0.655 324 G HN 0.533 nan 8.290 nan 0.000 0.513 325 I N 1.220 121.854 120.570 0.107 0.000 2.113 325 I HA -0.165 4.005 4.170 0.000 0.000 0.242 325 I C 1.699 177.909 176.117 0.156 0.000 1.057 325 I CA 1.625 62.980 61.300 0.091 0.000 1.314 325 I CB -0.275 37.774 38.000 0.081 0.000 1.022 325 I HN 0.248 nan 8.210 nan 0.000 0.408 326 I N 2.108 122.805 120.570 0.212 0.000 2.204 326 I HA 0.004 4.174 4.170 0.000 0.000 0.291 326 I C 0.150 176.416 176.117 0.249 0.000 1.153 326 I CA -0.637 60.856 61.300 0.323 0.000 1.546 326 I CB -0.838 37.331 38.000 0.282 0.000 1.490 326 I HN 0.269 nan 8.210 nan 0.000 0.697 327 D N 3.186 123.719 120.400 0.221 0.000 2.398 327 D HA 0.191 4.831 4.640 0.000 0.000 0.264 327 D C 1.417 177.822 176.300 0.174 0.000 1.263 327 D CA -0.204 53.886 54.000 0.151 0.000 1.037 327 D CB 0.745 41.612 40.800 0.112 0.000 1.101 327 D HN 0.210 nan 8.370 nan 0.000 0.551 328 A N -0.176 122.705 122.820 0.102 0.000 1.849 328 A HA -0.285 4.035 4.320 0.000 0.000 0.217 328 A C 1.976 179.670 177.584 0.184 0.000 1.202 328 A CA 2.858 54.956 52.037 0.101 0.000 0.629 328 A CB -1.187 17.844 19.000 0.052 0.000 0.834 328 A HN 0.758 nan 8.150 nan 0.000 0.447 329 K N -1.573 118.919 120.400 0.153 0.000 2.013 329 K HA -0.277 4.043 4.320 0.000 0.000 0.225 329 K C 1.781 178.513 176.600 0.221 0.000 1.056 329 K CA 2.447 58.831 56.287 0.161 0.000 0.971 329 K CB -0.572 32.012 32.500 0.140 0.000 0.731 329 K HN 0.346 nan 8.250 nan 0.000 0.450 330 F N 0.768 120.767 119.950 0.083 0.000 2.269 330 F HA -0.126 4.401 4.527 -0.000 0.000 0.301 330 F C 1.858 177.694 175.800 0.061 0.000 1.082 330 F CA 1.030 59.066 58.000 0.060 0.000 1.360 330 F CB -0.543 38.486 39.000 0.049 0.000 1.041 330 F HN 0.207 nan 8.300 nan 0.000 0.512 331 F N 0.548 120.431 119.950 -0.112 0.000 2.084 331 F HA 0.014 4.541 4.527 0.000 0.000 0.296 331 F C 2.508 178.161 175.800 -0.245 0.000 1.111 331 F CA 1.913 59.752 58.000 -0.268 0.000 1.224 331 F CB -1.099 37.785 39.000 -0.193 0.000 0.991 331 F HN -0.041 nan 8.300 nan 0.000 0.471 332 G N 0.136 109.046 108.800 0.184 0.000 2.476 332 G HA2 -0.271 3.689 3.960 0.000 0.000 0.218 332 G HA3 -0.271 3.689 3.960 0.000 0.000 0.218 332 G C 1.753 176.637 174.900 -0.025 0.000 1.164 332 G CA 1.457 46.661 45.100 0.174 0.000 0.768 332 G HN 0.358 nan 8.290 nan 0.000 0.560 333 V N 0.937 120.812 119.914 -0.065 0.000 2.233 333 V HA -0.172 3.948 4.120 0.000 0.000 0.247 333 V C 2.952 178.956 176.094 -0.150 0.000 1.050 333 V CA 1.809 64.056 62.300 -0.089 0.000 1.010 333 V CB -0.605 31.247 31.823 0.049 0.000 0.637 333 V HN 0.363 nan 8.190 nan 0.000 0.444 334 L N 0.122 121.121 121.223 -0.372 0.000 2.043 334 L HA -0.238 4.102 4.340 0.000 0.000 0.212 334 L C 2.736 179.424 176.870 -0.303 0.000 1.075 334 L CA 1.784 56.371 54.840 -0.423 0.000 0.752 334 L CB -0.861 40.737 42.059 -0.768 0.000 0.891 334 L HN 0.382 nan 8.230 nan 0.000 0.432 335 A N -0.609 121.962 122.820 -0.415 0.000 1.908 335 A HA -0.298 4.022 4.320 0.000 0.000 0.218 335 A C 2.308 179.964 177.584 0.119 0.000 1.181 335 A CA 2.248 54.151 52.037 -0.222 0.000 0.627 335 A CB -0.519 18.388 19.000 -0.155 0.000 0.818 335 A HN 0.437 nan 8.150 nan 0.000 0.445 336 M N -1.760 117.830 119.600 -0.017 0.000 2.074 336 M HA -0.060 4.420 4.480 0.000 0.000 0.259 336 M C 1.948 178.193 176.300 -0.092 0.000 1.079 336 M CA 1.968 57.221 55.300 -0.078 0.000 1.119 336 M CB -0.281 32.122 32.600 -0.329 0.000 1.297 336 M HN 0.350 nan 8.290 nan 0.000 0.416 337 F N 0.485 120.399 119.950 -0.061 0.000 2.192 337 F HA -0.146 4.381 4.527 0.000 0.000 0.301 337 F C 2.457 178.255 175.800 -0.003 0.000 1.079 337 F CA 1.608 59.560 58.000 -0.081 0.000 1.303 337 F CB -1.603 37.325 39.000 -0.120 0.000 1.024 337 F HN 0.330 nan 8.300 nan 0.000 0.494 338 G N -0.571 108.348 108.800 0.197 0.000 2.421 338 G HA2 -0.190 3.770 3.960 0.000 0.000 0.216 338 G HA3 -0.190 3.770 3.960 0.000 0.000 0.216 338 G C 1.938 177.018 174.900 0.300 0.000 1.171 338 G CA 0.857 46.095 45.100 0.230 0.000 0.775 338 G HN 0.471 nan 8.290 nan 0.000 0.543 339 A N 0.485 123.502 122.820 0.328 0.000 1.986 339 A HA -0.037 4.283 4.320 0.000 0.000 0.220 339 A C 2.378 180.121 177.584 0.265 0.000 1.171 339 A CA 1.506 53.608 52.037 0.109 0.000 0.640 339 A CB -0.312 18.672 19.000 -0.026 0.000 0.811 339 A HN 0.440 nan 8.150 nan 0.000 0.451 340 I N -1.371 119.333 120.570 0.223 0.000 2.296 340 I HA -0.112 4.058 4.170 0.000 0.000 0.242 340 I C 2.326 178.513 176.117 0.116 0.000 1.087 340 I CA 0.765 62.179 61.300 0.189 0.000 1.393 340 I CB -0.343 37.694 38.000 0.061 0.000 1.093 340 I HN 0.385 nan 8.210 nan 0.000 0.421 341 L N 1.648 122.941 121.223 0.117 0.000 2.021 341 L HA -0.196 4.144 4.340 0.000 0.000 0.215 341 L C 2.601 179.507 176.870 0.058 0.000 1.074 341 L CA 2.333 57.229 54.840 0.094 0.000 0.760 341 L CB -0.930 41.185 42.059 0.094 0.000 0.889 341 L HN 0.276 nan 8.230 nan 0.000 0.433 342 V N -1.883 118.039 119.914 0.012 0.000 2.332 342 V HA -0.361 3.759 4.120 0.000 0.000 0.248 342 V C 2.512 178.459 176.094 -0.245 0.000 1.055 342 V CA 2.378 64.630 62.300 -0.081 0.000 1.038 342 V CB -1.141 30.600 31.823 -0.137 0.000 0.651 342 V HN 0.668 nan 8.190 nan 0.000 0.450 343 M N 0.855 120.190 119.600 -0.441 0.000 2.267 343 M HA -0.085 4.395 4.480 0.000 0.000 0.263 343 M C 2.118 178.503 176.300 0.141 0.000 1.063 343 M CA 2.179 57.225 55.300 -0.423 0.000 1.090 343 M CB -0.368 32.099 32.600 -0.220 0.000 1.392 343 M HN 0.530 nan 8.290 nan 0.000 0.422 344 A N 0.025 122.967 122.820 0.203 0.000 1.970 344 A HA 0.009 4.329 4.320 0.000 0.000 0.216 344 A C 1.814 179.686 177.584 0.480 0.000 1.170 344 A CA 0.922 53.206 52.037 0.412 0.000 0.645 344 A CB -0.650 18.497 19.000 0.244 0.000 0.816 344 A HN 0.587 nan 8.150 nan 0.000 0.447 345 L N -0.539 120.875 121.223 0.318 0.000 2.599 345 L HA 0.021 4.361 4.340 0.000 0.000 0.230 345 L C 2.135 179.215 176.870 0.350 0.000 1.141 345 L CA 0.074 55.182 54.840 0.447 0.000 0.877 345 L CB -0.263 41.944 42.059 0.245 0.000 1.009 345 L HN 0.252 nan 8.230 nan 0.000 0.447 346 V N 2.014 121.974 119.914 0.076 0.000 2.428 346 V HA -0.210 3.910 4.120 0.000 0.000 0.255 346 V C -0.372 175.494 176.094 -0.379 0.000 1.080 346 V CA 2.060 64.242 62.300 -0.196 0.000 1.083 346 V CB -0.571 30.946 31.823 -0.511 0.000 0.665 346 V HN 0.331 nan 8.190 nan 0.000 0.461 347 P HA -0.083 nan 4.420 nan 0.000 0.223 347 P C 1.111 178.038 177.300 -0.622 0.000 1.151 347 P CA 1.428 64.158 63.100 -0.617 0.000 0.787 347 P CB -0.092 30.893 31.700 -1.192 0.000 0.788 348 W N -1.919 119.376 121.300 -0.007 0.000 2.993 348 W HA 0.300 4.960 4.660 -0.000 0.000 0.290 348 W C 1.344 177.856 176.519 -0.011 0.000 1.203 348 W CA 0.116 57.463 57.345 0.003 0.000 1.582 348 W CB -0.172 29.296 29.460 0.013 0.000 1.033 348 W HN -0.060 nan 8.180 nan 0.000 0.594 349 L N -0.265 121.044 121.223 0.144 0.000 2.375 349 L HA 0.071 4.411 4.340 0.000 0.000 0.215 349 L C 0.613 177.471 176.870 -0.019 0.000 1.108 349 L CA 0.798 55.674 54.840 0.059 0.000 0.830 349 L CB -0.427 41.659 42.059 0.045 0.000 0.959 349 L HN -0.298 nan 8.230 nan 0.000 0.457 350 D N 0.943 121.325 120.400 -0.031 0.000 2.365 350 D HA 0.036 4.676 4.640 0.000 0.000 0.237 350 D C 1.129 177.420 176.300 -0.014 0.000 1.190 350 D CA 0.083 54.070 54.000 -0.021 0.000 0.867 350 D CB 1.515 42.360 40.800 0.076 0.000 1.050 350 D HN 0.107 nan 8.370 nan 0.000 0.491 351 T N 0.079 114.623 114.554 -0.016 0.000 3.067 351 T HA 0.007 4.357 4.350 0.000 0.000 0.257 351 T C 1.219 175.906 174.700 -0.021 0.000 1.105 351 T CA -0.279 61.814 62.100 -0.011 0.000 1.104 351 T CB 0.063 68.928 68.868 -0.004 0.000 0.925 351 T HN 0.235 nan 8.240 nan 0.000 0.498 352 S N 3.393 119.079 115.700 -0.024 0.000 2.558 352 S HA 0.163 4.633 4.470 0.000 0.000 0.288 352 S C -1.268 173.293 174.600 -0.065 0.000 1.318 352 S CA -1.060 57.118 58.200 -0.037 0.000 1.056 352 S CB 0.808 63.984 63.200 -0.040 0.000 0.853 352 S HN 0.263 nan 8.310 nan 0.000 0.505 353 P HA 0.175 nan 4.420 nan 0.000 0.267 353 P C -0.441 176.810 177.300 -0.082 0.000 1.289 353 P CA -0.008 63.051 63.100 -0.068 0.000 0.866 353 P CB 0.123 31.797 31.700 -0.044 0.000 1.309 354 V N 1.964 121.823 119.914 -0.092 0.000 2.408 354 V HA 0.195 4.315 4.120 0.000 0.000 0.267 354 V C 2.096 178.091 176.094 -0.165 0.000 1.047 354 V CA -0.146 62.098 62.300 -0.094 0.000 0.937 354 V CB 0.944 32.722 31.823 -0.075 0.000 0.999 354 V HN -0.019 nan 8.190 nan 0.000 0.472 355 R N 3.711 124.125 120.500 -0.143 0.000 2.107 355 R HA -0.067 4.273 4.340 0.000 0.000 0.223 355 R C 1.482 177.612 176.300 -0.282 0.000 1.138 355 R CA 1.604 57.579 56.100 -0.209 0.000 0.900 355 R CB -0.286 29.934 30.300 -0.134 0.000 0.814 355 R HN 0.696 nan 8.270 nan 0.000 0.437 356 S N -0.868 114.724 115.700 -0.181 0.000 2.552 356 S HA 0.089 4.559 4.470 0.000 0.000 0.289 356 S C 1.036 175.284 174.600 -0.587 0.000 1.304 356 S CA -0.027 57.997 58.200 -0.293 0.000 1.063 356 S CB 1.254 64.346 63.200 -0.181 0.000 0.848 356 S HN 0.526 nan 8.310 nan 0.000 0.499 357 G N 3.724 111.937 108.800 -0.978 0.000 2.920 357 G HA2 -0.041 3.919 3.960 0.000 0.000 0.208 357 G HA3 -0.041 3.919 3.960 0.000 0.000 0.208 357 G C 1.276 175.582 174.900 -0.989 0.000 1.159 357 G CA -0.060 44.250 45.100 -1.317 0.000 0.784 357 G HN 0.792 nan 8.290 nan 0.000 0.535 358 R N -0.384 119.589 120.500 -0.878 0.000 2.189 358 R HA -0.053 4.287 4.340 0.000 0.000 0.223 358 R C 0.340 176.306 176.300 -0.557 0.000 1.092 358 R CA 0.786 56.512 56.100 -0.623 0.000 0.989 358 R CB -0.103 29.756 30.300 -0.735 0.000 0.876 358 R HN 0.409 nan 8.270 nan 0.000 0.457 359 Y N 0.005 120.218 120.300 -0.144 0.000 2.774 359 Y HA 0.388 4.938 4.550 -0.000 0.000 0.305 359 Y C -0.531 175.310 175.900 -0.098 0.000 1.067 359 Y CA -0.570 57.478 58.100 -0.088 0.000 1.304 359 Y CB 0.405 38.818 38.460 -0.078 0.000 1.209 359 Y HN -0.183 nan 8.280 nan 0.000 0.543 360 R N 0.100 120.585 120.500 -0.025 0.000 2.607 360 R HA 0.252 4.592 4.340 0.000 0.000 0.278 360 R C -2.476 173.896 176.300 0.120 0.000 1.637 360 R CA -1.467 54.646 56.100 0.021 0.000 1.325 360 R CB 1.181 31.423 30.300 -0.097 0.000 1.211 360 R HN 0.019 nan 8.270 nan 0.000 0.565 361 P HA -0.199 nan 4.420 nan 0.000 0.216 361 P C 1.091 178.467 177.300 0.126 0.000 1.153 361 P CA 1.586 64.757 63.100 0.118 0.000 0.858 361 P CB 0.261 32.015 31.700 0.089 0.000 0.789 362 M N -3.100 116.583 119.600 0.140 0.000 2.160 362 M HA -0.068 4.412 4.480 0.000 0.000 0.264 362 M C 2.061 178.464 176.300 0.172 0.000 1.073 362 M CA 1.425 56.797 55.300 0.120 0.000 1.142 362 M CB -0.794 31.914 32.600 0.180 0.000 1.358 362 M HN -0.125 nan 8.290 nan 0.000 0.422 363 F N 2.003 122.028 119.950 0.126 0.000 2.043 363 F HA -0.340 4.187 4.527 0.000 0.000 0.297 363 F C 2.186 178.100 175.800 0.189 0.000 1.118 363 F CA 1.993 60.096 58.000 0.171 0.000 1.202 363 F CB -0.416 38.602 39.000 0.030 0.000 0.965 363 F HN -0.017 nan 8.300 nan 0.000 0.482 364 K N 0.020 120.708 120.400 0.480 0.000 2.071 364 K HA -0.280 4.040 4.320 0.000 0.000 0.217 364 K C 1.962 178.795 176.600 0.388 0.000 1.054 364 K CA 2.164 58.735 56.287 0.474 0.000 0.937 364 K CB -0.751 32.001 32.500 0.420 0.000 0.719 364 K HN 0.304 nan 8.250 nan 0.000 0.454 365 I N 0.456 121.110 120.570 0.141 0.000 2.118 365 I HA -0.277 3.893 4.170 0.000 0.000 0.241 365 I C 2.386 178.470 176.117 -0.054 0.000 1.070 365 I CA 1.749 63.033 61.300 -0.028 0.000 1.327 365 I CB -1.334 36.475 38.000 -0.320 0.000 1.034 365 I HN 0.144 nan 8.210 nan 0.000 0.405 366 Y N -0.330 120.041 120.300 0.117 0.000 2.293 366 Y HA -0.227 4.323 4.550 0.000 0.000 0.291 366 Y C 2.445 178.318 175.900 -0.045 0.000 1.137 366 Y CA 0.912 59.095 58.100 0.138 0.000 1.202 366 Y CB -1.150 37.420 38.460 0.183 0.000 0.990 366 Y HN 0.092 nan 8.280 nan 0.000 0.537 367 F N -0.742 119.083 119.950 -0.208 0.000 2.046 367 F HA -0.257 4.270 4.527 -0.000 0.000 0.297 367 F C 1.757 177.326 175.800 -0.385 0.000 1.123 367 F CA 1.571 59.289 58.000 -0.469 0.000 1.199 367 F CB -0.789 37.947 39.000 -0.439 0.000 0.972 367 F HN 0.009 nan 8.300 nan 0.000 0.474 368 W N 0.704 122.030 121.300 0.044 0.000 2.364 368 W HA -0.164 4.496 4.660 0.000 0.000 0.281 368 W C 2.286 178.657 176.519 -0.247 0.000 1.219 368 W CA 1.066 58.339 57.345 -0.120 0.000 1.220 368 W CB -0.612 28.874 29.460 0.044 0.000 1.127 368 W HN 0.100 nan 8.180 nan 0.000 0.556 369 L N -0.733 120.468 121.223 -0.037 0.000 2.093 369 L HA -0.213 4.127 4.340 0.000 0.000 0.208 369 L C 2.398 179.129 176.870 -0.233 0.000 1.085 369 L CA 0.669 55.393 54.840 -0.193 0.000 0.755 369 L CB -0.910 40.953 42.059 -0.326 0.000 0.904 369 L HN 0.032 nan 8.230 nan 0.000 0.435 370 L N 0.105 121.186 121.223 -0.237 0.000 1.989 370 L HA -0.205 4.135 4.340 0.000 0.000 0.211 370 L C 2.646 179.408 176.870 -0.180 0.000 1.071 370 L CA 2.143 56.841 54.840 -0.237 0.000 0.749 370 L CB -0.752 40.786 42.059 -0.868 0.000 0.890 370 L HN 0.171 nan 8.230 nan 0.000 0.431 371 A N -0.478 122.025 122.820 -0.530 0.000 1.851 371 A HA -0.179 4.141 4.320 0.000 0.000 0.216 371 A C 2.478 179.956 177.584 -0.178 0.000 1.195 371 A CA 2.333 54.001 52.037 -0.615 0.000 0.622 371 A CB -1.441 17.115 19.000 -0.740 0.000 0.831 371 A HN 0.603 nan 8.150 nan 0.000 0.444 372 A N -0.217 122.541 122.820 -0.104 0.000 1.903 372 A HA -0.303 4.017 4.320 0.000 0.000 0.219 372 A C 1.863 179.442 177.584 -0.008 0.000 1.191 372 A CA 2.553 54.562 52.037 -0.046 0.000 0.638 372 A CB -0.922 18.040 19.000 -0.064 0.000 0.823 372 A HN 0.566 nan 8.150 nan 0.000 0.451 373 D N -1.484 118.926 120.400 0.017 0.000 2.092 373 D HA -0.188 4.452 4.640 0.000 0.000 0.193 373 D C 1.665 178.059 176.300 0.157 0.000 0.994 373 D CA 1.614 55.680 54.000 0.110 0.000 0.828 373 D CB -0.362 40.588 40.800 0.250 0.000 0.963 373 D HN 0.359 nan 8.370 nan 0.000 0.450 374 F N 0.516 120.525 119.950 0.097 0.000 2.087 374 F HA -0.259 4.268 4.527 0.000 0.000 0.299 374 F C 2.191 177.974 175.800 -0.028 0.000 1.100 374 F CA 1.406 59.432 58.000 0.042 0.000 1.226 374 F CB -0.513 38.608 39.000 0.202 0.000 0.983 374 F HN -0.083 nan 8.300 nan 0.000 0.479 375 V N 0.930 120.890 119.914 0.076 0.000 2.237 375 V HA -0.337 3.783 4.120 0.000 0.000 0.245 375 V C 2.440 178.535 176.094 0.003 0.000 1.046 375 V CA 2.298 64.604 62.300 0.010 0.000 1.007 375 V CB -0.765 31.078 31.823 0.032 0.000 0.638 375 V HN 0.378 nan 8.190 nan 0.000 0.445 376 I N -0.466 120.122 120.570 0.029 0.000 2.118 376 I HA -0.332 3.838 4.170 0.000 0.000 0.241 376 I C 2.485 178.681 176.117 0.131 0.000 1.070 376 I CA 1.772 63.140 61.300 0.112 0.000 1.327 376 I CB -0.520 37.523 38.000 0.072 0.000 1.034 376 I HN 0.252 nan 8.210 nan 0.000 0.405 377 L N 0.180 121.386 121.223 -0.028 0.000 2.021 377 L HA -0.293 4.047 4.340 0.000 0.000 0.215 377 L C 2.712 179.467 176.870 -0.191 0.000 1.074 377 L CA 2.022 56.773 54.840 -0.149 0.000 0.760 377 L CB -0.678 41.195 42.059 -0.310 0.000 0.889 377 L HN 0.337 nan 8.230 nan 0.000 0.433 378 T N -1.675 112.729 114.554 -0.251 0.000 2.643 378 T HA -0.288 4.062 4.350 0.000 0.000 0.264 378 T C 1.216 175.884 174.700 -0.054 0.000 1.045 378 T CA 1.673 63.657 62.100 -0.193 0.000 1.155 378 T CB -0.598 68.157 68.868 -0.189 0.000 0.863 378 T HN 0.545 nan 8.240 nan 0.000 0.420 379 W N 2.746 123.967 121.300 -0.131 0.000 2.290 379 W HA -0.282 4.378 4.660 -0.000 0.000 0.318 379 W C 2.224 178.674 176.519 -0.114 0.000 1.248 379 W CA 2.137 59.422 57.345 -0.100 0.000 1.263 379 W CB -0.824 28.588 29.460 -0.079 0.000 1.147 379 W HN 0.168 nan 8.180 nan 0.000 0.494 380 V N -0.395 119.339 119.914 -0.300 0.000 2.515 380 V HA -0.005 4.115 4.120 0.000 0.000 0.250 380 V C 2.208 178.040 176.094 -0.437 0.000 1.058 380 V CA 1.980 63.942 62.300 -0.563 0.000 1.064 380 V CB -2.031 29.674 31.823 -0.198 0.000 0.675 380 V HN 0.329 nan 8.190 nan 0.000 0.461 381 G N 0.138 108.798 108.800 -0.233 0.000 2.501 381 G HA2 -0.087 3.873 3.960 0.000 0.000 0.220 381 G HA3 -0.087 3.873 3.960 0.000 0.000 0.220 381 G C 1.476 176.355 174.900 -0.036 0.000 1.114 381 G CA 0.949 46.035 45.100 -0.023 0.000 0.757 381 G HN 0.870 nan 8.290 nan 0.000 0.559 382 A N -1.049 121.614 122.820 -0.262 0.000 2.218 382 A HA 0.310 4.630 4.320 0.000 0.000 0.209 382 A C 1.464 178.806 177.584 -0.404 0.000 1.168 382 A CA 0.339 52.202 52.037 -0.291 0.000 0.804 382 A CB 0.080 18.888 19.000 -0.319 0.000 0.834 382 A HN 0.332 nan 8.150 nan 0.000 0.482 383 Q N -0.096 119.357 119.800 -0.579 0.000 2.207 383 Q HA 0.392 4.732 4.340 0.000 0.000 0.237 383 Q C -0.401 175.331 176.000 -0.446 0.000 0.998 383 Q CA -0.369 54.993 55.803 -0.733 0.000 0.951 383 Q CB 0.264 28.143 28.738 -1.431 0.000 1.213 383 Q HN 0.565 nan 8.270 nan 0.000 0.499 384 Q N -0.093 119.473 119.800 -0.389 0.000 2.316 384 Q HA 0.199 4.539 4.340 0.000 0.000 0.215 384 Q C 0.801 176.774 176.000 -0.044 0.000 1.020 384 Q CA 0.014 55.745 55.803 -0.120 0.000 0.970 384 Q CB 0.443 29.181 28.738 -0.000 0.000 1.187 384 Q HN 0.642 nan 8.270 nan 0.000 0.546 385 T N -2.642 111.908 114.554 -0.006 0.000 3.148 385 T HA -0.036 4.314 4.350 0.000 0.000 0.253 385 T C 0.937 175.673 174.700 0.059 0.000 1.134 385 T CA 0.353 62.446 62.100 -0.011 0.000 1.051 385 T CB -0.573 68.271 68.868 -0.040 0.000 0.959 385 T HN 0.733 nan 8.240 nan 0.000 0.525 386 T N 0.140 114.782 114.554 0.145 0.000 2.754 386 T HA 0.469 4.819 4.350 0.000 0.000 0.286 386 T C -0.079 174.743 174.700 0.204 0.000 0.997 386 T CA -1.005 61.205 62.100 0.184 0.000 0.982 386 T CB 0.327 69.313 68.868 0.198 0.000 1.027 386 T HN 0.144 nan 8.240 nan 0.000 0.529 387 F N 3.142 123.118 119.950 0.044 0.000 2.518 387 F HA 0.371 4.898 4.527 0.000 0.000 0.359 387 F C -1.292 174.372 175.800 -0.227 0.000 1.118 387 F CA -2.211 55.789 58.000 0.001 0.000 1.287 387 F CB 0.779 39.806 39.000 0.045 0.000 1.132 387 F HN 0.417 nan 8.300 nan 0.000 0.587 388 P HA -0.064 nan 4.420 nan 0.000 0.255 388 P C 0.855 177.820 177.300 -0.558 0.000 1.248 388 P CA 0.795 63.112 63.100 -1.305 0.000 0.807 388 P CB -0.060 31.036 31.700 -1.006 0.000 1.150 389 Y N 3.026 123.228 120.300 -0.162 0.000 2.081 389 Y HA -0.257 4.293 4.550 0.000 0.000 0.280 389 Y C 2.424 178.236 175.900 -0.148 0.000 1.163 389 Y CA 1.761 59.789 58.100 -0.120 0.000 1.135 389 Y CB -1.893 36.482 38.460 -0.140 0.000 0.970 389 Y HN 0.097 nan 8.280 nan 0.000 0.498 390 D N -1.353 119.033 120.400 -0.023 0.000 2.172 390 D HA -0.281 4.359 4.640 0.000 0.000 0.196 390 D C 1.823 177.932 176.300 -0.319 0.000 0.999 390 D CA 1.724 55.611 54.000 -0.188 0.000 0.856 390 D CB -1.189 39.490 40.800 -0.201 0.000 0.934 390 D HN 0.471 nan 8.370 nan 0.000 0.453 391 W N 0.860 122.027 121.300 -0.221 0.000 2.413 391 W HA 0.168 4.828 4.660 0.000 0.000 0.315 391 W C 2.742 179.171 176.519 -0.150 0.000 1.186 391 W CA 0.457 57.673 57.345 -0.214 0.000 1.326 391 W CB -0.445 28.834 29.460 -0.301 0.000 1.153 391 W HN -0.133 nan 8.180 nan 0.000 0.489 392 I N 0.538 121.170 120.570 0.103 0.000 2.113 392 I HA -0.462 3.708 4.170 0.000 0.000 0.242 392 I C 2.666 178.812 176.117 0.048 0.000 1.064 392 I CA 2.073 63.434 61.300 0.101 0.000 1.320 392 I CB -1.307 36.797 38.000 0.172 0.000 1.028 392 I HN 0.006 nan 8.210 nan 0.000 0.406 393 S N 1.306 116.993 115.700 -0.022 0.000 2.374 393 S HA -0.225 4.245 4.470 0.000 0.000 0.227 393 S C 2.067 176.578 174.600 -0.148 0.000 1.037 393 S CA 1.300 59.435 58.200 -0.108 0.000 1.024 393 S CB -1.037 62.041 63.200 -0.204 0.000 0.861 393 S HN 0.436 nan 8.310 nan 0.000 0.456 394 L N 0.858 121.958 121.223 -0.205 0.000 2.017 394 L HA -0.068 4.272 4.340 0.000 0.000 0.208 394 L C 2.662 179.519 176.870 -0.021 0.000 1.073 394 L CA 1.757 56.461 54.840 -0.226 0.000 0.745 394 L CB -0.513 41.322 42.059 -0.373 0.000 0.894 394 L HN 0.382 nan 8.230 nan 0.000 0.432 395 I N -0.581 120.025 120.570 0.060 0.000 2.226 395 I HA -0.293 3.877 4.170 0.000 0.000 0.245 395 I C 2.797 179.031 176.117 0.194 0.000 1.100 395 I CA 1.120 62.508 61.300 0.147 0.000 1.374 395 I CB -0.686 37.405 38.000 0.151 0.000 1.057 395 I HN 0.222 nan 8.210 nan 0.000 0.413 396 A N 0.915 123.822 122.820 0.146 0.000 1.865 396 A HA -0.232 4.088 4.320 0.000 0.000 0.217 396 A C 2.540 180.290 177.584 0.276 0.000 1.191 396 A CA 2.551 54.699 52.037 0.185 0.000 0.623 396 A CB -0.955 18.100 19.000 0.092 0.000 0.826 396 A HN 0.429 nan 8.150 nan 0.000 0.444 397 S N 0.169 115.986 115.700 0.195 0.000 2.370 397 S HA -0.086 4.384 4.470 0.000 0.000 0.226 397 S C 2.304 177.246 174.600 0.569 0.000 1.033 397 S CA 1.344 59.744 58.200 0.333 0.000 1.011 397 S CB -0.669 62.651 63.200 0.199 0.000 0.852 397 S HN 0.852 nan 8.310 nan 0.000 0.457 398 A N 1.030 124.098 122.820 0.413 0.000 1.865 398 A HA -0.186 4.134 4.320 0.000 0.000 0.217 398 A C 1.992 179.826 177.584 0.417 0.000 1.191 398 A CA 1.918 54.194 52.037 0.398 0.000 0.623 398 A CB -1.233 17.931 19.000 0.273 0.000 0.826 398 A HN 0.560 nan 8.150 nan 0.000 0.444 399 Y N -0.954 119.523 120.300 0.294 0.000 2.207 399 Y HA -0.260 4.290 4.550 0.000 0.000 0.287 399 Y C 2.275 178.358 175.900 0.305 0.000 1.156 399 Y CA 1.670 59.921 58.100 0.251 0.000 1.182 399 Y CB -0.334 38.242 38.460 0.193 0.000 0.979 399 Y HN 0.569 nan 8.280 nan 0.000 0.521 400 W N 0.284 121.706 121.300 0.203 0.000 2.311 400 W HA -0.340 4.320 4.660 -0.000 0.000 0.326 400 W C 1.738 178.303 176.519 0.076 0.000 1.239 400 W CA 2.417 59.827 57.345 0.108 0.000 1.258 400 W CB -1.075 28.392 29.460 0.010 0.000 1.165 400 W HN 0.168 nan 8.180 nan 0.000 0.466 401 F N 1.085 121.238 119.950 0.338 0.000 2.216 401 F HA -0.136 4.391 4.527 -0.000 0.000 0.300 401 F C 2.766 178.586 175.800 0.033 0.000 1.085 401 F CA 1.863 59.986 58.000 0.205 0.000 1.326 401 F CB -1.513 37.611 39.000 0.207 0.000 1.027 401 F HN -0.084 nan 8.300 nan 0.000 0.497 402 A N -0.144 122.752 122.820 0.126 0.000 1.884 402 A HA -0.329 3.991 4.320 0.000 0.000 0.219 402 A C 2.104 179.521 177.584 -0.279 0.000 1.197 402 A CA 2.097 54.079 52.037 -0.092 0.000 0.637 402 A CB -1.621 17.270 19.000 -0.182 0.000 0.827 402 A HN 0.489 nan 8.150 nan 0.000 0.450 403 Y N -0.689 119.229 120.300 -0.637 0.000 2.128 403 Y HA -0.240 4.310 4.550 0.000 0.000 0.284 403 Y C 1.984 177.475 175.900 -0.682 0.000 1.154 403 Y CA 2.235 59.868 58.100 -0.778 0.000 1.149 403 Y CB -0.477 37.383 38.460 -1.001 0.000 0.976 403 Y HN 0.283 nan 8.280 nan 0.000 0.505 404 F N -0.849 118.857 119.950 -0.405 0.000 2.219 404 F HA -0.048 4.479 4.527 0.000 0.000 0.294 404 F C 2.051 177.705 175.800 -0.244 0.000 1.086 404 F CA 0.991 58.761 58.000 -0.384 0.000 1.330 404 F CB -0.463 38.362 39.000 -0.291 0.000 1.047 404 F HN -0.058 nan 8.300 nan 0.000 0.495 405 L N -1.202 120.045 121.223 0.040 0.000 2.418 405 L HA -0.005 4.335 4.340 0.000 0.000 0.218 405 L C 1.366 178.211 176.870 -0.042 0.000 1.125 405 L CA 0.196 55.058 54.840 0.036 0.000 0.835 405 L CB -0.120 42.009 42.059 0.117 0.000 0.953 405 L HN 0.023 nan 8.230 nan 0.000 0.454 406 V N -1.360 118.481 119.914 -0.122 0.000 3.668 406 V HA 0.040 4.160 4.120 0.000 0.000 0.199 406 V C 1.969 177.926 176.094 -0.228 0.000 1.241 406 V CA -0.011 62.206 62.300 -0.139 0.000 1.308 406 V CB 0.126 31.883 31.823 -0.111 0.000 1.411 406 V HN 0.026 nan 8.190 nan 0.000 0.535 407 I N 0.703 121.064 120.570 -0.347 0.000 2.074 407 I HA -0.360 3.810 4.170 0.000 0.000 0.238 407 I C 2.504 178.374 176.117 -0.411 0.000 1.037 407 I CA 2.128 63.148 61.300 -0.467 0.000 1.301 407 I CB -0.542 37.040 38.000 -0.696 0.000 1.016 407 I HN 0.267 nan 8.210 nan 0.000 0.400 408 L N 0.209 121.097 121.223 -0.559 0.000 2.013 408 L HA -0.187 4.153 4.340 0.000 0.000 0.212 408 L C -0.104 176.637 176.870 -0.215 0.000 1.073 408 L CA 1.968 56.547 54.840 -0.435 0.000 0.753 408 L CB -1.875 39.817 42.059 -0.611 0.000 0.890 408 L HN 0.194 nan 8.230 nan 0.000 0.432 409 P HA -0.190 nan 4.420 nan 0.000 0.215 409 P C 1.795 179.051 177.300 -0.073 0.000 1.157 409 P CA 1.544 64.588 63.100 -0.094 0.000 0.868 409 P CB 0.096 31.751 31.700 -0.074 0.000 0.788 410 I N -1.144 119.369 120.570 -0.094 0.000 2.090 410 I HA -0.241 3.929 4.170 0.000 0.000 0.236 410 I C 2.292 178.387 176.117 -0.036 0.000 1.064 410 I CA 1.400 62.663 61.300 -0.062 0.000 1.324 410 I CB -0.900 37.051 38.000 -0.080 0.000 1.044 410 I HN -0.145 nan 8.210 nan 0.000 0.399 411 L N 0.699 121.896 121.223 -0.042 0.000 2.230 411 L HA -0.269 4.071 4.340 0.000 0.000 0.217 411 L C 2.542 179.431 176.870 0.032 0.000 1.090 411 L CA 1.484 56.340 54.840 0.026 0.000 0.771 411 L CB -1.358 40.743 42.059 0.070 0.000 0.892 411 L HN 0.443 nan 8.230 nan 0.000 0.438 412 G N -0.649 108.154 108.800 0.004 0.000 2.440 412 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 412 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 412 G C 1.681 176.585 174.900 0.006 0.000 1.154 412 G CA 0.904 46.007 45.100 0.004 0.000 0.767 412 G HN 0.522 nan 8.290 nan 0.000 0.552 413 A N -0.048 122.776 122.820 0.006 0.000 1.956 413 A HA 0.378 4.698 4.320 0.000 0.000 0.212 413 A C 2.336 179.930 177.584 0.017 0.000 1.188 413 A CA 0.457 52.499 52.037 0.009 0.000 0.675 413 A CB -0.072 18.931 19.000 0.006 0.000 0.845 413 A HN 0.303 nan 8.150 nan 0.000 0.455 414 I N -0.013 120.570 120.570 0.023 0.000 2.233 414 I HA -0.101 4.069 4.170 0.000 0.000 0.243 414 I C 1.287 177.431 176.117 0.045 0.000 1.093 414 I CA 0.489 61.809 61.300 0.034 0.000 1.380 414 I CB -0.154 37.871 38.000 0.042 0.000 1.067 414 I HN 0.426 nan 8.210 nan 0.000 0.413 415 E N 2.192 122.426 120.200 0.057 0.000 2.442 415 E HA -0.082 4.268 4.350 0.000 0.000 0.262 415 E C -0.242 176.387 176.600 0.047 0.000 1.004 415 E CA 0.160 56.600 56.400 0.067 0.000 0.928 415 E CB 0.544 30.298 29.700 0.090 0.000 0.937 415 E HN -0.091 nan 8.360 nan 0.000 0.446 416 K N 5.676 126.105 120.400 0.048 0.000 2.414 416 K HA 0.307 4.627 4.320 0.000 0.000 0.251 416 K C -2.341 174.281 176.600 0.036 0.000 1.037 416 K CA -2.048 54.260 56.287 0.034 0.000 0.980 416 K CB 1.275 33.793 32.500 0.030 0.000 1.280 416 K HN 0.497 nan 8.250 nan 0.000 0.451 417 P HA 0.079 nan 4.420 nan 0.000 0.268 417 P C 0.210 177.522 177.300 0.021 0.000 1.205 417 P CA -0.347 62.770 63.100 0.029 0.000 0.771 417 P CB 0.930 32.636 31.700 0.010 0.000 0.858 418 V N 2.120 122.058 119.914 0.041 0.000 3.441 418 V HA 0.357 4.477 4.120 0.000 0.000 0.300 418 V C 0.950 176.995 176.094 -0.082 0.000 1.062 418 V CA -0.438 61.866 62.300 0.006 0.000 1.064 418 V CB 0.612 32.466 31.823 0.051 0.000 1.197 418 V HN 0.770 nan 8.190 nan 0.000 0.451 419 A N 3.026 125.760 122.820 -0.144 0.000 2.302 419 A HA 0.586 4.906 4.320 0.000 0.000 0.295 419 A C -1.986 175.330 177.584 -0.447 0.000 1.235 419 A CA -1.186 50.722 52.037 -0.215 0.000 0.876 419 A CB -0.315 18.600 19.000 -0.142 0.000 1.133 419 A HN 0.645 nan 8.150 nan 0.000 0.533 420 P HA 0.360 nan 4.420 nan 0.000 0.285 420 P C -2.630 174.462 177.300 -0.347 0.000 1.259 420 P CA -1.195 61.489 63.100 -0.693 0.000 0.794 420 P CB 0.289 31.787 31.700 -0.337 0.000 0.940 421 P HA -0.076 nan 4.420 nan 0.000 0.269 421 P C 0.918 178.171 177.300 -0.079 0.000 1.200 421 P CA 0.248 63.274 63.100 -0.123 0.000 0.779 421 P CB 0.248 31.920 31.700 -0.047 0.000 0.841 422 A N 0.814 123.602 122.820 -0.053 0.000 1.970 422 A HA 0.107 4.427 4.320 0.000 0.000 0.216 422 A C 0.891 178.462 177.584 -0.022 0.000 1.170 422 A CA 1.888 53.903 52.037 -0.038 0.000 0.645 422 A CB -0.673 18.309 19.000 -0.031 0.000 0.816 422 A HN 0.666 nan 8.150 nan 0.000 0.447 423 T N -4.683 109.864 114.554 -0.012 0.000 2.868 423 T HA 0.569 4.919 4.350 0.000 0.000 0.306 423 T C 0.709 175.415 174.700 0.011 0.000 1.224 423 T CA -0.352 61.747 62.100 -0.002 0.000 1.012 423 T CB 0.773 69.642 68.868 0.001 0.000 1.221 423 T HN 0.042 nan 8.240 nan 0.000 0.499 424 I N 0.516 121.089 120.570 0.005 0.000 2.286 424 I HA -0.100 4.070 4.170 0.000 0.000 0.248 424 I C 2.730 178.874 176.117 0.045 0.000 1.115 424 I CA 1.544 62.847 61.300 0.006 0.000 1.392 424 I CB -0.377 37.598 38.000 -0.043 0.000 1.065 424 I HN 0.902 nan 8.210 nan 0.000 0.418 425 E N 1.682 121.908 120.200 0.042 0.000 2.049 425 E HA -0.315 4.035 4.350 0.000 0.000 0.198 425 E C 2.140 178.809 176.600 0.115 0.000 1.007 425 E CA 1.757 58.217 56.400 0.100 0.000 0.809 425 E CB -0.114 29.623 29.700 0.062 0.000 0.749 425 E HN 0.445 nan 8.360 nan 0.000 0.450 426 E N 0.335 120.570 120.200 0.058 0.000 2.065 426 E HA -0.291 4.059 4.350 0.000 0.000 0.201 426 E C 2.020 178.650 176.600 0.051 0.000 1.016 426 E CA 1.799 58.221 56.400 0.037 0.000 0.818 426 E CB -0.227 29.481 29.700 0.014 0.000 0.749 426 E HN 0.368 nan 8.360 nan 0.000 0.453 427 D N -0.622 119.821 120.400 0.072 0.000 2.097 427 D HA -0.172 4.468 4.640 0.000 0.000 0.195 427 D C 1.978 178.350 176.300 0.121 0.000 0.989 427 D CA 0.859 54.911 54.000 0.088 0.000 0.827 427 D CB -0.221 40.640 40.800 0.102 0.000 0.966 427 D HN 0.136 nan 8.370 nan 0.000 0.456 428 F N 2.698 122.628 119.950 -0.033 0.000 2.043 428 F HA -0.251 4.276 4.527 0.000 0.000 0.297 428 F C 2.147 177.921 175.800 -0.044 0.000 1.121 428 F CA 1.627 59.597 58.000 -0.051 0.000 1.199 428 F CB -0.944 38.015 39.000 -0.068 0.000 0.968 428 F HN -0.021 nan 8.300 nan 0.000 0.478 429 N N 0.993 119.620 118.700 -0.121 0.000 2.137 429 N HA -0.161 4.579 4.740 0.000 0.000 0.190 429 N C 1.150 176.550 175.510 -0.184 0.000 1.017 429 N CA 1.060 53.967 53.050 -0.237 0.000 0.859 429 N CB -1.079 37.351 38.487 -0.095 0.000 1.002 429 N HN 0.382 nan 8.380 nan 0.000 0.428 430 A N 0.000 122.767 122.820 -0.088 0.000 2.254 430 A HA 0.000 4.320 4.320 0.000 0.000 0.244 430 A CA 0.000 52.003 52.037 -0.056 0.000 0.836 430 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 430 A HN 0.000 nan 8.150 nan 0.000 0.486