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 3gei_1_C DATA FIRST_RESID 4 DATA SEQUENCE SDLHLPVPGH PIAAIATPVG VGALAIVRIS GAGVLDLADR VFRKVHGSGK DATA SEQUENCE LAEAAGYTAH FGRLYDGEEM VDEVIALVFR APRSFTAEQM VEFTCHGGPV DATA SEQUENCE VVGRVLRLML DNGCRLAEPG EFTRRAFLNG RIDLLQAEAI GEMIHARTES DATA SEQUENCE AYRTAVSQMK GDLSVRLGGL REQLIRSCAL IELELDFSEE DVEFQSRDEL DATA SEQUENCE TMQIETLRSE VNRLIDSYQH GRIVSEGXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXS DATA SEQUENCE VLVTSLRHYE ALRNASDALQ NALELIAHES ETELIAFELR AALDYVGQIT DATA SEQUENCE GKVVNEEVLN TIFDKFCIGK 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.568 174.600 -0.053 0.000 1.055 4 S CA 0.000 58.180 58.200 -0.033 0.000 1.107 4 S CB 0.000 63.188 63.200 -0.020 0.000 0.593 5 D N 3.049 123.400 120.400 -0.082 0.000 2.317 5 D HA 0.476 5.116 4.640 -0.000 0.000 0.234 5 D C 0.358 176.524 176.300 -0.222 0.000 1.112 5 D CA -0.112 53.806 54.000 -0.137 0.000 0.840 5 D CB 1.189 41.902 40.800 -0.145 0.000 1.078 5 D HN 0.511 nan 8.370 nan 0.000 0.486 6 L N 3.171 124.267 121.223 -0.211 0.000 3.291 6 L HA 0.206 4.546 4.340 -0.000 0.000 0.307 6 L C -0.300 176.490 176.870 -0.134 0.000 1.303 6 L CA -0.606 54.116 54.840 -0.197 0.000 0.949 6 L CB -0.089 41.939 42.059 -0.051 0.000 1.375 6 L HN 0.489 nan 8.230 nan 0.000 0.596 7 H N -0.165 118.901 119.070 -0.005 0.000 2.604 7 H HA -0.143 4.413 4.556 -0.000 0.000 0.321 7 H C -0.072 175.248 175.328 -0.012 0.000 1.132 7 H CA 0.161 56.203 56.048 -0.010 0.000 1.129 7 H CB -0.886 28.870 29.762 -0.011 0.000 1.526 7 H HN 0.183 nan 8.280 nan 0.000 0.415 8 L N 2.711 123.957 121.223 0.038 0.000 2.367 8 L HA 0.190 4.530 4.340 -0.000 0.000 0.275 8 L C -0.951 175.928 176.870 0.015 0.000 1.129 8 L CA -1.185 53.667 54.840 0.021 0.000 0.839 8 L CB 0.280 42.339 42.059 0.000 0.000 1.133 8 L HN 0.125 nan 8.230 nan 0.000 0.453 9 P HA 0.015 nan 4.420 nan 0.000 0.263 9 P C -0.367 176.921 177.300 -0.019 0.000 1.195 9 P CA -0.337 62.754 63.100 -0.015 0.000 0.762 9 P CB 0.228 31.907 31.700 -0.036 0.000 0.799 10 V N 3.247 123.150 119.914 -0.018 0.000 2.452 10 V HA 0.080 4.200 4.120 -0.000 0.000 0.286 10 V C -1.556 174.522 176.094 -0.027 0.000 0.995 10 V CA -1.380 60.909 62.300 -0.019 0.000 1.116 10 V CB -1.031 30.783 31.823 -0.015 0.000 0.954 10 V HN 0.519 nan 8.190 nan 0.000 0.473 11 P HA 0.351 nan 4.420 nan 0.000 0.275 11 P C 0.497 177.779 177.300 -0.030 0.000 1.227 11 P CA 0.258 63.339 63.100 -0.032 0.000 0.781 11 P CB 1.214 32.897 31.700 -0.029 0.000 0.906 12 G N 1.346 110.125 108.800 -0.034 0.000 2.621 12 G HA2 0.061 4.021 3.960 -0.000 0.000 0.271 12 G HA3 0.061 4.021 3.960 -0.000 0.000 0.271 12 G C -0.187 174.717 174.900 0.007 0.000 1.236 12 G CA -0.325 44.766 45.100 -0.014 0.000 0.958 12 G HN 0.696 nan 8.290 nan 0.000 0.512 13 H N 1.010 120.049 119.070 -0.051 0.000 3.001 13 H HA 0.041 4.597 4.556 -0.000 0.000 0.334 13 H C -1.729 173.571 175.328 -0.046 0.000 1.034 13 H CA -0.731 55.293 56.048 -0.040 0.000 1.420 13 H CB 0.961 30.701 29.762 -0.037 0.000 1.405 13 H HN 0.108 nan 8.280 nan 0.000 0.593 14 P HA 0.011 nan 4.420 nan 0.000 0.262 14 P C -0.211 177.153 177.300 0.106 0.000 1.199 14 P CA 0.497 63.574 63.100 -0.039 0.000 0.763 14 P CB 0.052 31.687 31.700 -0.108 0.000 0.790 15 I N 0.316 120.912 120.570 0.043 0.000 2.797 15 I HA 0.913 5.083 4.170 -0.000 0.000 0.307 15 I C -0.759 175.424 176.117 0.110 0.000 1.033 15 I CA -1.470 59.843 61.300 0.022 0.000 1.071 15 I CB 2.518 40.414 38.000 -0.174 0.000 1.255 15 I HN 0.264 nan 8.210 nan 0.000 0.445 16 A N 3.012 125.925 122.820 0.155 0.000 2.486 16 A HA 1.002 5.322 4.320 -0.000 0.000 0.300 16 A C -0.901 176.841 177.584 0.264 0.000 1.048 16 A CA -0.204 51.983 52.037 0.250 0.000 0.696 16 A CB 1.678 20.791 19.000 0.188 0.000 1.278 16 A HN 1.556 nan 8.150 nan 0.000 0.405 17 A N 1.039 124.040 122.820 0.302 0.000 2.608 17 A HA 0.683 5.003 4.320 -0.000 0.000 0.292 17 A C -1.197 176.467 177.584 0.133 0.000 1.066 17 A CA -0.527 51.648 52.037 0.231 0.000 0.676 17 A CB 0.500 19.706 19.000 0.343 0.000 1.277 17 A HN 0.881 nan 8.150 nan 0.000 0.413 18 I N 1.751 122.376 120.570 0.091 0.000 2.379 18 I HA 0.325 4.495 4.170 -0.000 0.000 0.290 18 I C 1.329 177.447 176.117 0.002 0.000 1.063 18 I CA 0.141 61.468 61.300 0.045 0.000 1.351 18 I CB 1.580 39.606 38.000 0.043 0.000 1.410 18 I HN 0.805 nan 8.210 nan 0.000 0.505 19 A N 4.582 127.372 122.820 -0.049 0.000 2.081 19 A HA 0.060 4.380 4.320 -0.000 0.000 0.214 19 A C 1.123 178.652 177.584 -0.092 0.000 1.158 19 A CA 0.510 52.478 52.037 -0.115 0.000 0.724 19 A CB -0.258 18.623 19.000 -0.199 0.000 0.826 19 A HN 0.708 nan 8.150 nan 0.000 0.463 20 T N -1.354 113.167 114.554 -0.056 0.000 2.934 20 T HA 0.564 4.914 4.350 -0.000 0.000 0.283 20 T C -2.618 172.060 174.700 -0.036 0.000 1.005 20 T CA -1.926 60.144 62.100 -0.050 0.000 1.041 20 T CB 0.789 69.638 68.868 -0.032 0.000 1.042 20 T HN -0.010 nan 8.240 nan 0.000 0.505 21 P HA 0.215 nan 4.420 nan 0.000 0.270 21 P C -0.297 176.996 177.300 -0.012 0.000 1.221 21 P CA -0.639 62.442 63.100 -0.031 0.000 0.788 21 P CB 0.102 31.779 31.700 -0.039 0.000 0.904 22 V N -1.293 118.619 119.914 -0.003 0.000 2.583 22 V HA 0.815 4.935 4.120 -0.000 0.000 0.287 22 V C 0.565 176.661 176.094 0.004 0.000 1.051 22 V CA 0.313 62.616 62.300 0.006 0.000 1.010 22 V CB 0.118 31.949 31.823 0.013 0.000 0.988 22 V HN 1.012 nan 8.190 nan 0.000 0.478 23 G N 2.507 111.311 108.800 0.007 0.000 2.346 23 G HA2 0.364 4.324 3.960 -0.000 0.000 0.294 23 G HA3 0.364 4.324 3.960 -0.000 0.000 0.294 23 G C -0.818 174.087 174.900 0.008 0.000 1.294 23 G CA -0.310 44.793 45.100 0.006 0.000 0.962 23 G HN 1.955 nan 8.290 nan 0.000 0.508 24 V N -1.261 118.657 119.914 0.008 0.000 2.539 24 V HA 1.002 5.122 4.120 -0.000 0.000 0.292 24 V C 0.790 176.891 176.094 0.012 0.000 1.045 24 V CA 0.560 62.867 62.300 0.012 0.000 0.945 24 V CB 0.881 32.709 31.823 0.009 0.000 0.993 24 V HN 2.542 nan 8.190 nan 0.000 0.464 25 G N 1.242 110.055 108.800 0.020 0.000 2.506 25 G HA2 0.624 4.584 3.960 -0.000 0.000 0.292 25 G HA3 0.624 4.584 3.960 -0.000 0.000 0.292 25 G C 0.256 175.179 174.900 0.039 0.000 1.425 25 G CA -0.067 45.046 45.100 0.021 0.000 0.788 25 G HN 1.134 nan 8.290 nan 0.000 0.490 26 A N -0.908 121.936 122.820 0.040 0.000 1.902 26 A HA 0.399 4.719 4.320 -0.000 0.000 0.217 26 A C 1.003 178.633 177.584 0.076 0.000 1.181 26 A CA 1.267 53.342 52.037 0.063 0.000 0.623 26 A CB -0.532 18.497 19.000 0.048 0.000 0.818 26 A HN 0.716 nan 8.150 nan 0.000 0.443 27 L N -2.994 118.253 121.223 0.040 0.000 2.350 27 L HA 0.767 5.107 4.340 -0.000 0.000 0.260 27 L C -0.364 176.517 176.870 0.019 0.000 1.015 27 L CA -0.611 54.243 54.840 0.022 0.000 0.821 27 L CB 2.249 44.309 42.059 0.002 0.000 1.370 27 L HN 0.169 nan 8.230 nan 0.000 0.416 28 A N 1.536 124.367 122.820 0.018 0.000 2.539 28 A HA 0.897 5.217 4.320 -0.000 0.000 0.296 28 A C -1.276 176.320 177.584 0.020 0.000 1.073 28 A CA -0.457 51.590 52.037 0.016 0.000 0.700 28 A CB 1.554 20.570 19.000 0.027 0.000 1.296 28 A HN 0.594 nan 8.150 nan 0.000 0.405 29 I N 1.252 121.828 120.570 0.010 0.000 2.406 29 I HA 0.466 4.636 4.170 -0.000 0.000 0.290 29 I C -0.789 175.344 176.117 0.028 0.000 0.999 29 I CA -0.935 60.375 61.300 0.017 0.000 1.124 29 I CB 1.934 39.920 38.000 -0.022 0.000 1.289 29 I HN 0.284 nan 8.210 nan 0.000 0.441 30 V N 6.761 126.727 119.914 0.086 0.000 2.417 30 V HA 0.514 4.634 4.120 -0.000 0.000 0.291 30 V C -0.070 176.099 176.094 0.125 0.000 1.024 30 V CA -0.562 61.807 62.300 0.115 0.000 0.861 30 V CB 1.700 33.625 31.823 0.169 0.000 0.985 30 V HN 0.820 nan 8.190 nan 0.000 0.436 31 R N 5.901 126.431 120.500 0.051 0.000 2.740 31 R HA 0.888 5.228 4.340 -0.000 0.000 0.282 31 R C -1.095 175.308 176.300 0.172 0.000 0.969 31 R CA -0.767 55.338 56.100 0.009 0.000 0.918 31 R CB 2.126 32.311 30.300 -0.191 0.000 1.175 31 R HN 0.699 nan 8.270 nan 0.000 0.464 32 I N -1.124 119.555 120.570 0.182 0.000 2.730 32 I HA 0.708 4.878 4.170 -0.000 0.000 0.298 32 I C -1.033 175.227 176.117 0.239 0.000 1.089 32 I CA -0.843 60.618 61.300 0.269 0.000 1.041 32 I CB 2.526 40.658 38.000 0.219 0.000 1.235 32 I HN 0.695 nan 8.210 nan 0.000 0.423 33 S N 2.831 118.672 115.700 0.236 0.000 2.537 33 S HA 0.978 5.448 4.470 -0.000 0.000 0.270 33 S C -0.434 174.188 174.600 0.037 0.000 1.142 33 S CA 0.342 58.630 58.200 0.147 0.000 0.870 33 S CB 1.750 65.096 63.200 0.242 0.000 1.112 33 S HN 1.710 nan 8.310 nan 0.000 0.466 34 G N 1.587 110.394 108.800 0.011 0.000 2.260 34 G HA2 0.471 4.431 3.960 -0.000 0.000 0.250 34 G HA3 0.471 4.431 3.960 -0.000 0.000 0.250 34 G C -0.638 174.242 174.900 -0.032 0.000 1.340 34 G CA -0.105 44.980 45.100 -0.025 0.000 1.056 34 G HN 1.531 nan 8.290 nan 0.000 0.471 35 A N -0.329 122.454 122.820 -0.062 0.000 2.320 35 A HA 0.704 5.024 4.320 -0.000 0.000 0.287 35 A C 1.497 179.045 177.584 -0.060 0.000 1.181 35 A CA 1.249 53.250 52.037 -0.060 0.000 0.831 35 A CB 0.058 19.014 19.000 -0.073 0.000 1.102 35 A HN 2.806 nan 8.150 nan 0.000 0.513 36 G N 1.909 110.688 108.800 -0.035 0.000 2.323 36 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.292 36 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.292 36 G C 0.717 175.609 174.900 -0.013 0.000 1.040 36 G CA 0.389 45.474 45.100 -0.024 0.000 0.942 36 G HN 1.056 nan 8.290 nan 0.000 0.506 37 V N 0.011 119.923 119.914 -0.005 0.000 2.307 37 V HA -0.173 3.946 4.120 -0.000 0.000 0.245 37 V C 2.801 178.914 176.094 0.032 0.000 1.045 37 V CA 2.518 64.829 62.300 0.018 0.000 1.024 37 V CB -0.329 31.509 31.823 0.027 0.000 0.651 37 V HN 0.639 nan 8.190 nan 0.000 0.449 38 L N -1.514 119.716 121.223 0.011 0.000 2.376 38 L HA 0.045 4.385 4.340 -0.000 0.000 0.219 38 L C 1.793 178.677 176.870 0.024 0.000 1.133 38 L CA 1.445 56.288 54.840 0.005 0.000 0.816 38 L CB -1.289 40.749 42.059 -0.034 0.000 0.933 38 L HN 0.131 nan 8.230 nan 0.000 0.449 39 D N 0.471 120.883 120.400 0.020 0.000 2.144 39 D HA -0.143 4.497 4.640 -0.000 0.000 0.200 39 D C 2.248 178.574 176.300 0.043 0.000 0.978 39 D CA 1.266 55.281 54.000 0.024 0.000 0.833 39 D CB -0.000 40.806 40.800 0.010 0.000 0.961 39 D HN 0.430 nan 8.370 nan 0.000 0.470 40 L N 0.270 121.522 121.223 0.049 0.000 2.056 40 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 40 L C 2.196 179.132 176.870 0.110 0.000 1.078 40 L CA 1.459 56.338 54.840 0.065 0.000 0.749 40 L CB -0.179 41.915 42.059 0.058 0.000 0.901 40 L HN -0.054 nan 8.230 nan 0.000 0.433 41 A N -0.551 122.361 122.820 0.155 0.000 1.902 41 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 41 A C 1.916 179.638 177.584 0.230 0.000 1.181 41 A CA 1.930 54.129 52.037 0.270 0.000 0.623 41 A CB -0.795 18.396 19.000 0.318 0.000 0.818 41 A HN 0.507 nan 8.150 nan 0.000 0.443 42 D N -0.527 119.967 120.400 0.156 0.000 2.228 42 D HA -0.121 4.519 4.640 -0.000 0.000 0.203 42 D C 1.963 178.336 176.300 0.123 0.000 0.988 42 D CA 0.903 54.991 54.000 0.146 0.000 0.864 42 D CB -0.208 40.641 40.800 0.082 0.000 0.928 42 D HN 0.457 nan 8.370 nan 0.000 0.469 43 R N -0.397 120.162 120.500 0.098 0.000 2.299 43 R HA 0.012 4.352 4.340 -0.000 0.000 0.197 43 R C 1.677 178.018 176.300 0.069 0.000 0.971 43 R CA 0.379 56.519 56.100 0.066 0.000 1.030 43 R CB 0.568 30.897 30.300 0.048 0.000 0.932 43 R HN 0.209 nan 8.270 nan 0.000 0.477 44 V N -4.113 115.861 119.914 0.099 0.000 3.562 44 V HA 0.282 4.401 4.120 -0.000 0.000 0.270 44 V C 0.087 176.257 176.094 0.127 0.000 1.418 44 V CA -0.287 62.061 62.300 0.080 0.000 1.033 44 V CB -0.036 31.794 31.823 0.012 0.000 0.820 44 V HN -0.040 nan 8.190 nan 0.000 0.441 45 F N 2.823 122.784 119.950 0.019 0.000 2.415 45 F HA 0.714 5.241 4.527 -0.000 0.000 0.348 45 F C 0.362 176.197 175.800 0.060 0.000 1.119 45 F CA -0.941 57.083 58.000 0.040 0.000 1.069 45 F CB 1.120 40.187 39.000 0.112 0.000 1.124 45 F HN -0.099 nan 8.300 nan 0.000 0.472 46 R N 5.631 125.766 120.500 -0.608 0.000 2.288 46 R HA 0.231 4.571 4.340 -0.000 0.000 0.326 46 R C -0.593 175.270 176.300 -0.728 0.000 0.959 46 R CA -0.948 54.877 56.100 -0.459 0.000 0.834 46 R CB 1.541 31.716 30.300 -0.208 0.000 1.157 46 R HN 0.629 nan 8.270 nan 0.000 0.470 47 K N 1.793 121.934 120.400 -0.432 0.000 2.401 47 K HA -0.005 4.315 4.320 -0.000 0.000 0.278 47 K C 1.215 177.774 176.600 -0.069 0.000 1.018 47 K CA -0.113 56.084 56.287 -0.151 0.000 0.981 47 K CB 1.271 33.857 32.500 0.143 0.000 0.933 47 K HN 0.335 nan 8.250 nan 0.000 0.477 48 V N 4.630 124.546 119.914 0.003 0.000 2.261 48 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 48 V C 1.337 177.407 176.094 -0.041 0.000 1.047 48 V CA 1.968 64.248 62.300 -0.034 0.000 1.015 48 V CB -0.444 31.375 31.823 -0.005 0.000 0.642 48 V HN 0.901 nan 8.190 nan 0.000 0.446 49 H N -0.173 118.939 119.070 0.070 0.000 2.480 49 H HA 0.244 4.800 4.556 -0.000 0.000 0.305 49 H C 1.666 177.014 175.328 0.034 0.000 1.035 49 H CA 2.047 58.129 56.048 0.057 0.000 1.221 49 H CB -0.932 28.872 29.762 0.070 0.000 1.449 49 H HN 0.527 nan 8.280 nan 0.000 0.597 50 G N -1.304 107.613 108.800 0.194 0.000 3.226 50 G HA2 0.263 4.223 3.960 -0.000 0.000 0.190 50 G HA3 0.263 4.223 3.960 -0.000 0.000 0.190 50 G C -0.252 174.688 174.900 0.067 0.000 1.988 50 G CA 0.255 45.414 45.100 0.099 0.000 0.859 50 G HN 0.513 nan 8.290 nan 0.000 0.631 51 S N -0.885 114.852 115.700 0.063 0.000 2.584 51 S HA 0.370 4.840 4.470 -0.000 0.000 0.189 51 S C 0.284 174.915 174.600 0.052 0.000 0.869 51 S CA 0.188 58.416 58.200 0.046 0.000 1.097 51 S CB 0.267 63.480 63.200 0.021 0.000 1.677 51 S HN 0.958 nan 8.310 nan 0.000 0.460 52 G N 2.516 111.360 108.800 0.074 0.000 2.469 52 G HA2 0.245 4.204 3.960 -0.000 0.000 0.293 52 G HA3 0.245 4.204 3.960 -0.000 0.000 0.293 52 G C 0.239 175.160 174.900 0.035 0.000 0.982 52 G CA -0.223 44.915 45.100 0.065 0.000 1.401 52 G HN 0.357 nan 8.290 nan 0.000 0.453 53 K N 2.185 122.598 120.400 0.021 0.000 2.484 53 K HA -0.014 4.306 4.320 -0.000 0.000 0.280 53 K C 1.184 177.759 176.600 -0.042 0.000 1.013 53 K CA -0.471 55.821 56.287 0.009 0.000 1.029 53 K CB 1.449 33.956 32.500 0.012 0.000 0.902 53 K HN 0.299 nan 8.250 nan 0.000 0.481 54 L N 3.629 124.818 121.223 -0.057 0.000 2.131 54 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 54 L C 2.079 178.884 176.870 -0.107 0.000 1.092 54 L CA 1.868 56.607 54.840 -0.168 0.000 0.759 54 L CB -0.661 41.323 42.059 -0.124 0.000 0.903 54 L HN 0.832 nan 8.230 nan 0.000 0.435 55 A N -0.211 122.582 122.820 -0.044 0.000 1.898 55 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 55 A C 1.872 179.443 177.584 -0.021 0.000 1.181 55 A CA 1.501 53.522 52.037 -0.026 0.000 0.620 55 A CB -0.574 18.422 19.000 -0.008 0.000 0.819 55 A HN 0.658 nan 8.150 nan 0.000 0.442 56 E N -0.092 120.099 120.200 -0.016 0.000 2.368 56 E HA 0.510 4.860 4.350 -0.000 0.000 0.188 56 E C 0.378 176.981 176.600 0.005 0.000 1.061 56 E CA 0.064 56.463 56.400 -0.003 0.000 0.933 56 E CB -0.144 29.559 29.700 0.004 0.000 1.091 56 E HN 0.456 nan 8.360 nan 0.000 0.458 57 A N 1.073 123.890 122.820 -0.005 0.000 2.279 57 A HA 0.678 4.998 4.320 -0.000 0.000 0.303 57 A C 0.285 177.895 177.584 0.044 0.000 1.108 57 A CA -0.198 51.862 52.037 0.038 0.000 0.830 57 A CB 0.889 19.909 19.000 0.032 0.000 1.106 57 A HN 0.384 nan 8.150 nan 0.000 0.493 58 A N 0.378 123.238 122.820 0.066 0.000 2.313 58 A HA 0.592 4.912 4.320 -0.000 0.000 0.261 58 A C 0.881 178.479 177.584 0.024 0.000 1.090 58 A CA 0.166 52.230 52.037 0.045 0.000 0.807 58 A CB -0.252 18.776 19.000 0.047 0.000 1.055 58 A HN 1.747 nan 8.150 nan 0.000 0.492 59 G N -1.740 107.076 108.800 0.026 0.000 2.527 59 G HA2 0.401 4.361 3.960 -0.000 0.000 0.248 59 G HA3 0.401 4.361 3.960 -0.000 0.000 0.248 59 G C -0.375 174.542 174.900 0.028 0.000 1.231 59 G CA 0.016 45.101 45.100 -0.025 0.000 0.838 59 G HN 0.920 nan 8.290 nan 0.000 0.570 60 Y N -1.223 118.949 120.300 -0.213 0.000 3.389 60 Y HA -0.262 4.288 4.550 -0.000 0.000 0.213 60 Y C 1.362 177.131 175.900 -0.218 0.000 1.272 60 Y CA 1.032 58.974 58.100 -0.264 0.000 1.444 60 Y CB -2.265 36.122 38.460 -0.122 0.000 1.445 60 Y HN 0.837 nan 8.280 nan 0.000 0.583 61 T N -1.870 112.590 114.554 -0.155 0.000 2.812 61 T HA 0.895 5.245 4.350 -0.000 0.000 0.282 61 T C 0.036 174.521 174.700 -0.359 0.000 0.990 61 T CA -0.306 61.670 62.100 -0.206 0.000 0.960 61 T CB 1.962 70.736 68.868 -0.156 0.000 0.948 61 T HN 0.655 nan 8.240 nan 0.000 0.438 62 A N 3.271 125.877 122.820 -0.356 0.000 2.316 62 A HA 0.650 4.969 4.320 -0.000 0.000 0.284 62 A C -0.194 177.103 177.584 -0.477 0.000 1.115 62 A CA -0.708 51.156 52.037 -0.287 0.000 0.812 62 A CB 0.339 19.265 19.000 -0.122 0.000 1.064 62 A HN 0.985 nan 8.150 nan 0.000 0.489 63 H N 0.911 120.007 119.070 0.044 0.000 2.840 63 H HA 0.289 4.845 4.556 -0.000 0.000 0.340 63 H C -1.751 173.793 175.328 0.359 0.000 1.004 63 H CA -0.313 55.844 56.048 0.183 0.000 1.288 63 H CB 1.563 31.413 29.762 0.147 0.000 1.607 63 H HN 0.632 nan 8.280 nan 0.000 0.522 64 F N 2.442 122.599 119.950 0.344 0.000 2.404 64 F HA 0.532 5.059 4.527 0.000 0.000 0.345 64 F C 0.382 176.390 175.800 0.347 0.000 1.110 64 F CA 0.566 58.751 58.000 0.307 0.000 1.130 64 F CB 0.879 39.985 39.000 0.177 0.000 1.129 64 F HN 0.724 nan 8.300 nan 0.000 0.500 65 G N 5.383 113.923 108.800 -0.434 0.000 2.450 65 G HA2 0.480 4.440 3.960 -0.000 0.000 0.273 65 G HA3 0.480 4.440 3.960 -0.000 0.000 0.273 65 G C -1.719 172.858 174.900 -0.538 0.000 1.221 65 G CA -1.148 43.613 45.100 -0.564 0.000 0.900 65 G HN 0.625 nan 8.290 nan 0.000 0.483 66 R N -0.856 119.328 120.500 -0.526 0.000 2.744 66 R HA 0.642 4.982 4.340 -0.000 0.000 0.279 66 R C -0.840 175.300 176.300 -0.266 0.000 0.977 66 R CA -0.679 55.222 56.100 -0.332 0.000 0.906 66 R CB 2.369 32.501 30.300 -0.281 0.000 1.197 66 R HN 0.345 nan 8.270 nan 0.000 0.463 67 L N 2.967 124.059 121.223 -0.219 0.000 2.292 67 L HA 0.433 4.772 4.340 -0.000 0.000 0.284 67 L C -0.946 175.755 176.870 -0.282 0.000 1.065 67 L CA -0.404 54.339 54.840 -0.162 0.000 0.806 67 L CB 0.568 42.513 42.059 -0.189 0.000 1.175 67 L HN 0.490 nan 8.230 nan 0.000 0.431 68 Y N 0.730 120.970 120.300 -0.101 0.000 2.409 68 Y HA 0.177 4.727 4.550 -0.000 0.000 0.343 68 Y C -0.119 175.745 175.900 -0.059 0.000 0.973 68 Y CA -0.692 57.361 58.100 -0.079 0.000 1.064 68 Y CB 1.897 40.307 38.460 -0.082 0.000 1.207 68 Y HN 0.476 nan 8.280 nan 0.000 0.452 69 D N 2.709 123.166 120.400 0.095 0.000 2.638 69 D HA 0.406 5.045 4.640 -0.000 0.000 0.245 69 D C 0.788 177.136 176.300 0.081 0.000 1.176 69 D CA 1.045 55.080 54.000 0.058 0.000 0.996 69 D CB -0.271 40.538 40.800 0.014 0.000 1.012 69 D HN 0.837 nan 8.370 nan 0.000 0.515 70 G N 2.450 111.302 108.800 0.087 0.000 2.687 70 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.303 70 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.303 70 G C 1.073 176.015 174.900 0.069 0.000 1.209 70 G CA 0.250 45.381 45.100 0.051 0.000 0.968 70 G HN 0.422 nan 8.290 nan 0.000 0.549 71 E N 1.780 122.020 120.200 0.065 0.000 2.170 71 E HA 0.109 4.459 4.350 -0.000 0.000 0.191 71 E C 1.389 178.100 176.600 0.185 0.000 0.981 71 E CA 0.711 57.154 56.400 0.073 0.000 0.830 71 E CB -0.009 29.711 29.700 0.033 0.000 0.775 71 E HN 0.682 nan 8.360 nan 0.000 0.470 72 E N 0.900 121.192 120.200 0.153 0.000 2.338 72 E HA 0.126 4.476 4.350 -0.000 0.000 0.272 72 E C -0.261 176.363 176.600 0.041 0.000 1.029 72 E CA -0.206 56.251 56.400 0.094 0.000 0.872 72 E CB 0.706 30.424 29.700 0.029 0.000 1.015 72 E HN -0.041 nan 8.360 nan 0.000 0.417 73 M N 4.603 124.120 119.600 -0.139 0.000 2.233 73 M HA 0.087 4.567 4.480 -0.000 0.000 0.350 73 M C -0.262 175.853 176.300 -0.308 0.000 1.176 73 M CA -0.230 54.749 55.300 -0.534 0.000 1.150 73 M CB 1.161 33.475 32.600 -0.476 0.000 1.530 73 M HN 0.505 nan 8.290 nan 0.000 0.459 74 V N 1.887 121.597 119.914 -0.340 0.000 2.806 74 V HA 0.257 4.377 4.120 -0.000 0.000 0.239 74 V C 0.189 176.198 176.094 -0.142 0.000 1.113 74 V CA 0.734 62.922 62.300 -0.185 0.000 1.137 74 V CB 0.314 32.044 31.823 -0.154 0.000 0.865 74 V HN 0.938 nan 8.190 nan 0.000 0.482 75 D N -1.420 118.878 120.400 -0.170 0.000 2.710 75 D HA 0.207 4.847 4.640 -0.000 0.000 0.276 75 D C -1.454 174.786 176.300 -0.100 0.000 1.267 75 D CA -0.547 53.413 54.000 -0.067 0.000 0.772 75 D CB 1.779 42.588 40.800 0.015 0.000 1.299 75 D HN 0.170 nan 8.370 nan 0.000 0.421 76 E N 1.023 121.220 120.200 -0.005 0.000 2.146 76 E HA 0.551 4.901 4.350 -0.000 0.000 0.282 76 E C -0.588 175.951 176.600 -0.102 0.000 0.989 76 E CA -0.681 55.666 56.400 -0.089 0.000 0.799 76 E CB 1.067 30.791 29.700 0.040 0.000 1.088 76 E HN 0.328 nan 8.360 nan 0.000 0.397 77 V N 1.582 121.425 119.914 -0.119 0.000 3.102 77 V HA 0.629 4.749 4.120 -0.000 0.000 0.312 77 V C -0.674 175.474 176.094 0.091 0.000 1.135 77 V CA -1.031 61.281 62.300 0.021 0.000 1.022 77 V CB 1.604 33.514 31.823 0.145 0.000 1.056 77 V HN 0.534 nan 8.190 nan 0.000 0.436 78 I N 2.559 123.224 120.570 0.157 0.000 2.377 78 I HA 0.779 4.949 4.170 -0.000 0.000 0.293 78 I C 0.500 176.685 176.117 0.114 0.000 0.987 78 I CA -0.325 61.094 61.300 0.197 0.000 1.185 78 I CB 1.656 39.765 38.000 0.181 0.000 1.341 78 I HN 0.987 nan 8.210 nan 0.000 0.455 79 A N 6.698 129.524 122.820 0.011 0.000 2.287 79 A HA 0.729 5.049 4.320 -0.000 0.000 0.317 79 A C -1.065 176.401 177.584 -0.196 0.000 1.220 79 A CA -0.514 51.384 52.037 -0.232 0.000 0.835 79 A CB 0.749 19.341 19.000 -0.679 0.000 1.180 79 A HN 0.568 nan 8.150 nan 0.000 0.500 80 L N 3.871 124.937 121.223 -0.260 0.000 2.282 80 L HA 0.600 4.939 4.340 -0.000 0.000 0.288 80 L C -0.613 176.009 176.870 -0.413 0.000 1.033 80 L CA -0.234 54.422 54.840 -0.307 0.000 0.807 80 L CB 1.585 43.463 42.059 -0.303 0.000 1.209 80 L HN 0.382 nan 8.230 nan 0.000 0.423 81 V N 6.450 126.115 119.914 -0.416 0.000 2.347 81 V HA 0.398 4.518 4.120 -0.000 0.000 0.280 81 V C -0.370 175.384 176.094 -0.568 0.000 1.021 81 V CA -0.295 61.800 62.300 -0.342 0.000 0.847 81 V CB 0.863 32.611 31.823 -0.126 0.000 0.990 81 V HN 0.519 nan 8.190 nan 0.000 0.444 82 F N 4.488 124.297 119.950 -0.236 0.000 2.443 82 F HA 0.646 5.173 4.527 0.000 0.000 0.335 82 F C 0.733 176.424 175.800 -0.182 0.000 1.104 82 F CA -0.399 57.416 58.000 -0.309 0.000 1.013 82 F CB 1.808 40.642 39.000 -0.277 0.000 1.136 82 F HN 0.380 nan 8.300 nan 0.000 0.470 83 R N 1.611 122.117 120.500 0.009 0.000 1.888 83 R HA 0.607 4.947 4.340 -0.000 0.000 0.123 83 R C 1.556 177.880 176.300 0.040 0.000 1.949 83 R CA 0.638 56.750 56.100 0.020 0.000 1.713 83 R CB -0.497 29.810 30.300 0.013 0.000 1.367 83 R HN 0.747 nan 8.270 nan 0.000 0.489 84 A N 1.152 124.001 122.820 0.048 0.000 2.010 84 A HA 0.057 4.377 4.320 -0.000 0.000 0.204 84 A C -1.254 176.353 177.584 0.038 0.000 1.364 84 A CA 0.966 53.026 52.037 0.038 0.000 0.622 84 A CB -1.436 17.586 19.000 0.037 0.000 0.983 84 A HN 0.592 nan 8.150 nan 0.000 0.491 85 P HA 0.149 nan 4.420 nan 0.000 0.261 85 P C -0.253 177.088 177.300 0.068 0.000 1.268 85 P CA 0.160 63.285 63.100 0.042 0.000 0.833 85 P CB 0.068 31.790 31.700 0.038 0.000 1.231 86 R N 1.088 121.654 120.500 0.109 0.000 3.266 86 R HA 0.386 4.726 4.340 -0.000 0.000 0.224 86 R C 0.239 176.643 176.300 0.174 0.000 1.525 86 R CA 0.112 56.328 56.100 0.193 0.000 1.364 86 R CB -0.218 30.265 30.300 0.305 0.000 1.276 86 R HN 0.212 nan 8.270 nan 0.000 0.660 87 S N -0.735 115.020 115.700 0.092 0.000 2.615 87 S HA 0.153 4.623 4.470 -0.000 0.000 0.268 87 S C 0.143 174.723 174.600 -0.032 0.000 1.146 87 S CA -0.965 57.196 58.200 -0.066 0.000 0.818 87 S CB 0.321 63.447 63.200 -0.124 0.000 1.111 87 S HN 0.220 nan 8.310 nan 0.000 0.465 88 F N 2.593 122.379 119.950 -0.274 0.000 2.091 88 F HA -0.045 4.482 4.527 -0.000 0.000 0.299 88 F C 2.533 178.313 175.800 -0.034 0.000 1.103 88 F CA 2.786 60.706 58.000 -0.133 0.000 1.228 88 F CB -0.715 38.180 39.000 -0.175 0.000 0.984 88 F HN 0.893 nan 8.300 nan 0.000 0.477 89 T N -2.201 112.286 114.554 -0.111 0.000 3.107 89 T HA 0.473 4.823 4.350 -0.000 0.000 0.249 89 T C 1.453 176.084 174.700 -0.114 0.000 1.096 89 T CA 0.454 62.457 62.100 -0.162 0.000 1.012 89 T CB -0.330 68.542 68.868 0.007 0.000 0.977 89 T HN 0.768 nan 8.240 nan 0.000 0.527 90 A N 0.574 123.347 122.820 -0.079 0.000 3.768 90 A HA -0.261 4.059 4.320 -0.000 0.000 0.270 90 A C 0.390 177.962 177.584 -0.022 0.000 1.019 90 A CA 1.757 53.770 52.037 -0.039 0.000 1.058 90 A CB -2.224 16.745 19.000 -0.051 0.000 1.085 90 A HN 0.804 nan 8.150 nan 0.000 0.857 91 E N -0.023 120.163 120.200 -0.023 0.000 2.292 91 E HA 0.467 4.817 4.350 -0.000 0.000 0.258 91 E C 0.372 176.979 176.600 0.012 0.000 1.115 91 E CA -0.360 56.035 56.400 -0.009 0.000 0.929 91 E CB 0.244 29.935 29.700 -0.015 0.000 1.161 91 E HN 0.693 nan 8.360 nan 0.000 0.453 92 Q N 1.603 121.412 119.800 0.016 0.000 2.313 92 Q HA 0.276 4.616 4.340 -0.000 0.000 0.266 92 Q C -0.484 175.544 176.000 0.046 0.000 0.989 92 Q CA -0.037 55.786 55.803 0.033 0.000 0.890 92 Q CB 0.511 29.259 28.738 0.018 0.000 1.200 92 Q HN 0.506 nan 8.270 nan 0.000 0.396 93 M N 1.231 120.880 119.600 0.081 0.000 2.618 93 M HA 0.770 5.250 4.480 -0.000 0.000 0.281 93 M C -1.575 174.788 176.300 0.106 0.000 1.267 93 M CA -1.353 54.000 55.300 0.089 0.000 0.845 93 M CB 2.300 34.947 32.600 0.079 0.000 1.732 93 M HN 0.476 nan 8.290 nan 0.000 0.461 94 V N 0.689 120.598 119.914 -0.009 0.000 2.760 94 V HA 0.571 4.691 4.120 -0.000 0.000 0.309 94 V C -1.600 174.308 176.094 -0.309 0.000 1.077 94 V CA -0.087 62.095 62.300 -0.196 0.000 0.910 94 V CB 2.522 34.080 31.823 -0.442 0.000 1.008 94 V HN 1.013 nan 8.190 nan 0.000 0.424 95 E N 6.214 126.253 120.200 -0.268 0.000 2.145 95 E HA 0.395 4.745 4.350 -0.000 0.000 0.262 95 E C -1.601 174.807 176.600 -0.321 0.000 0.883 95 E CA -0.380 55.889 56.400 -0.219 0.000 0.748 95 E CB 1.618 31.315 29.700 -0.005 0.000 1.140 95 E HN 0.630 nan 8.360 nan 0.000 0.417 96 F N 1.679 121.620 119.950 -0.014 0.000 2.438 96 F HA 0.108 4.635 4.527 -0.000 0.000 0.360 96 F C 1.217 177.009 175.800 -0.014 0.000 1.118 96 F CA -0.402 57.581 58.000 -0.028 0.000 1.164 96 F CB 0.959 39.951 39.000 -0.013 0.000 1.131 96 F HN 0.171 nan 8.300 nan 0.000 0.527 97 T N 4.527 119.153 114.554 0.120 0.000 2.743 97 T HA 0.547 4.897 4.350 -0.000 0.000 0.293 97 T C -0.170 174.559 174.700 0.049 0.000 0.945 97 T CA -0.495 61.645 62.100 0.067 0.000 1.030 97 T CB -0.276 68.610 68.868 0.031 0.000 0.912 97 T HN 0.855 nan 8.240 nan 0.000 0.483 98 C N 3.397 122.708 119.300 0.019 0.000 3.256 98 C HA 0.682 5.142 4.460 -0.000 0.000 0.361 98 C C 0.092 175.037 174.990 -0.075 0.000 1.665 98 C CA -1.176 57.816 59.018 -0.043 0.000 1.445 98 C CB 0.071 27.823 27.740 0.021 0.000 2.144 98 C HN 0.961 nan 8.230 nan 0.000 0.448 99 H N -0.062 119.028 119.070 0.034 0.000 2.848 99 H HA 0.391 4.947 4.556 -0.000 0.000 0.341 99 H C 1.361 176.700 175.328 0.018 0.000 1.060 99 H CA 1.266 57.329 56.048 0.025 0.000 1.444 99 H CB 0.750 30.521 29.762 0.015 0.000 1.446 99 H HN 0.995 nan 8.280 nan 0.000 0.583 100 G N 3.038 111.924 108.800 0.144 0.000 3.375 100 G HA2 0.137 4.097 3.960 -0.000 0.000 0.247 100 G HA3 0.137 4.097 3.960 -0.000 0.000 0.247 100 G C 0.531 175.467 174.900 0.060 0.000 1.343 100 G CA 0.122 45.267 45.100 0.076 0.000 1.368 100 G HN 0.707 nan 8.290 nan 0.000 0.549 101 G N 0.091 108.929 108.800 0.065 0.000 2.343 101 G HA2 0.501 4.461 3.960 -0.000 0.000 0.319 101 G HA3 0.501 4.461 3.960 -0.000 0.000 0.319 101 G C -1.367 173.551 174.900 0.029 0.000 1.126 101 G CA -1.168 43.954 45.100 0.037 0.000 0.889 101 G HN -0.071 nan 8.290 nan 0.000 0.457 102 P HA -0.197 nan 4.420 nan 0.000 0.217 102 P C 2.310 179.619 177.300 0.016 0.000 1.162 102 P CA 2.047 65.158 63.100 0.018 0.000 0.901 102 P CB 0.068 31.776 31.700 0.013 0.000 0.793 103 V N -2.727 117.194 119.914 0.011 0.000 2.295 103 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 103 V C 2.200 178.298 176.094 0.007 0.000 1.049 103 V CA 2.247 64.551 62.300 0.006 0.000 1.024 103 V CB -2.010 29.813 31.823 -0.001 0.000 0.648 103 V HN -0.042 nan 8.190 nan 0.000 0.447 104 V N -0.109 119.813 119.914 0.012 0.000 2.270 104 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 104 V C 2.654 178.760 176.094 0.020 0.000 1.043 104 V CA 1.961 64.270 62.300 0.016 0.000 1.014 104 V CB -0.718 31.129 31.823 0.040 0.000 0.645 104 V HN 0.402 nan 8.190 nan 0.000 0.447 105 V N 1.242 121.175 119.914 0.031 0.000 2.392 105 V HA -0.181 3.939 4.120 -0.000 0.000 0.249 105 V C 2.480 178.590 176.094 0.027 0.000 1.059 105 V CA 2.447 64.767 62.300 0.032 0.000 1.051 105 V CB -0.818 31.027 31.823 0.037 0.000 0.658 105 V HN 0.589 nan 8.190 nan 0.000 0.455 106 G N -0.466 108.348 108.800 0.023 0.000 2.418 106 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.217 106 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.217 106 G C 1.630 176.539 174.900 0.015 0.000 1.158 106 G CA 0.946 46.059 45.100 0.022 0.000 0.771 106 G HN 0.498 nan 8.290 nan 0.000 0.545 107 R N 0.021 120.524 120.500 0.006 0.000 2.115 107 R HA 0.075 4.415 4.340 -0.000 0.000 0.230 107 R C 2.464 178.755 176.300 -0.015 0.000 1.111 107 R CA 1.054 57.151 56.100 -0.005 0.000 0.976 107 R CB -0.606 29.686 30.300 -0.014 0.000 0.870 107 R HN 0.221 nan 8.270 nan 0.000 0.445 108 V N 0.652 120.557 119.914 -0.015 0.000 2.358 108 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 108 V C 2.112 178.198 176.094 -0.014 0.000 1.047 108 V CA 1.568 63.846 62.300 -0.036 0.000 1.035 108 V CB -0.513 31.294 31.823 -0.026 0.000 0.658 108 V HN 0.333 nan 8.190 nan 0.000 0.452 109 L N 0.356 121.592 121.223 0.022 0.000 2.017 109 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 109 L C 2.530 179.424 176.870 0.040 0.000 1.073 109 L CA 2.053 56.922 54.840 0.048 0.000 0.745 109 L CB -0.726 41.368 42.059 0.057 0.000 0.894 109 L HN 0.150 nan 8.230 nan 0.000 0.432 110 R N -0.927 119.588 120.500 0.025 0.000 2.120 110 R HA -0.176 4.164 4.340 -0.000 0.000 0.234 110 R C 2.275 178.585 176.300 0.015 0.000 1.123 110 R CA 1.599 57.712 56.100 0.022 0.000 0.975 110 R CB -0.402 29.907 30.300 0.015 0.000 0.866 110 R HN 0.431 nan 8.270 nan 0.000 0.446 111 L N 0.410 121.632 121.223 -0.002 0.000 2.046 111 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 111 L C 2.027 178.897 176.870 0.000 0.000 1.077 111 L CA 1.707 56.538 54.840 -0.015 0.000 0.747 111 L CB -0.222 41.804 42.059 -0.056 0.000 0.896 111 L HN 0.173 nan 8.230 nan 0.000 0.432 112 M N -1.125 118.483 119.600 0.014 0.000 2.132 112 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 112 M C 2.334 178.676 176.300 0.068 0.000 1.065 112 M CA 1.638 56.973 55.300 0.059 0.000 1.122 112 M CB -1.241 31.425 32.600 0.110 0.000 1.365 112 M HN 0.267 nan 8.290 nan 0.000 0.411 113 L N -0.158 121.102 121.223 0.062 0.000 2.017 113 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 113 L C 1.932 178.833 176.870 0.052 0.000 1.073 113 L CA 1.046 55.923 54.840 0.062 0.000 0.745 113 L CB -0.825 41.267 42.059 0.054 0.000 0.894 113 L HN 0.238 nan 8.230 nan 0.000 0.432 114 D N -0.245 120.178 120.400 0.039 0.000 2.310 114 D HA -0.123 4.517 4.640 -0.000 0.000 0.212 114 D C 1.390 177.711 176.300 0.035 0.000 0.965 114 D CA 0.883 54.902 54.000 0.032 0.000 0.879 114 D CB -0.155 40.659 40.800 0.023 0.000 0.921 114 D HN 0.313 nan 8.370 nan 0.000 0.510 115 N N -0.732 117.992 118.700 0.040 0.000 2.214 115 N HA 0.149 4.889 4.740 -0.000 0.000 0.214 115 N C 0.975 176.514 175.510 0.048 0.000 1.132 115 N CA 0.375 53.449 53.050 0.041 0.000 0.856 115 N CB 1.783 40.293 38.487 0.039 0.000 1.020 115 N HN 0.206 nan 8.380 nan 0.000 0.509 116 G N -0.049 108.787 108.800 0.059 0.000 2.367 116 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.181 116 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.181 116 G C 0.078 175.038 174.900 0.100 0.000 1.000 116 G CA -0.547 44.592 45.100 0.065 0.000 0.693 116 G HN 0.315 nan 8.290 nan 0.000 0.480 117 C N 2.022 121.384 119.300 0.104 0.000 2.527 117 C HA 0.699 5.159 4.460 -0.000 0.000 0.396 117 C C 1.065 176.141 174.990 0.142 0.000 1.289 117 C CA -0.570 58.527 59.018 0.132 0.000 2.047 117 C CB 0.529 28.341 27.740 0.120 0.000 2.568 117 C HN 0.561 nan 8.230 nan 0.000 0.573 118 R N 2.067 122.671 120.500 0.175 0.000 2.459 118 R HA 0.466 4.806 4.340 -0.000 0.000 0.281 118 R C -0.372 175.963 176.300 0.058 0.000 1.050 118 R CA -0.695 55.447 56.100 0.071 0.000 1.055 118 R CB 0.479 30.755 30.300 -0.041 0.000 1.045 118 R HN 0.737 nan 8.270 nan 0.000 0.495 119 L N 3.689 124.936 121.223 0.040 0.000 2.455 119 L HA 0.193 4.533 4.340 -0.000 0.000 0.272 119 L C -0.258 176.630 176.870 0.029 0.000 1.174 119 L CA 0.542 55.413 54.840 0.052 0.000 0.869 119 L CB 0.728 42.817 42.059 0.050 0.000 1.130 119 L HN 0.804 nan 8.230 nan 0.000 0.474 120 A N 4.898 127.744 122.820 0.044 0.000 2.483 120 A HA 0.214 4.534 4.320 -0.000 0.000 0.238 120 A C 0.217 177.816 177.584 0.025 0.000 1.070 120 A CA -0.153 51.873 52.037 -0.019 0.000 0.770 120 A CB -0.050 18.949 19.000 -0.003 0.000 1.008 120 A HN 0.844 nan 8.150 nan 0.000 0.497 121 E N 1.431 121.624 120.200 -0.011 0.000 2.280 121 E HA 0.336 4.686 4.350 -0.000 0.000 0.264 121 E C -2.445 174.204 176.600 0.082 0.000 1.064 121 E CA -2.003 54.414 56.400 0.028 0.000 0.900 121 E CB 0.369 30.068 29.700 -0.001 0.000 1.123 121 E HN 0.387 nan 8.360 nan 0.000 0.418 122 P HA -0.130 nan 4.420 nan 0.000 0.255 122 P C 0.524 177.954 177.300 0.217 0.000 1.161 122 P CA 1.471 64.683 63.100 0.188 0.000 0.768 122 P CB 0.029 31.829 31.700 0.167 0.000 0.746 123 G N 3.224 112.228 108.800 0.340 0.000 2.257 123 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.267 123 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.267 123 G C 1.239 176.181 174.900 0.070 0.000 0.984 123 G CA 0.650 45.974 45.100 0.375 0.000 0.626 123 G HN 0.535 nan 8.290 nan 0.000 0.540 124 E N -0.362 119.831 120.200 -0.012 0.000 2.164 124 E HA -0.227 4.123 4.350 -0.000 0.000 0.206 124 E C 2.049 178.534 176.600 -0.192 0.000 1.032 124 E CA 2.070 58.362 56.400 -0.180 0.000 0.832 124 E CB -0.271 29.300 29.700 -0.215 0.000 0.742 124 E HN 0.652 nan 8.360 nan 0.000 0.460 125 F N 0.375 120.347 119.950 0.036 0.000 2.075 125 F HA -0.196 4.331 4.527 0.000 0.000 0.297 125 F C 2.734 178.560 175.800 0.043 0.000 1.113 125 F CA 1.790 59.857 58.000 0.111 0.000 1.218 125 F CB -0.870 38.299 39.000 0.281 0.000 0.984 125 F HN 0.038 nan 8.300 nan 0.000 0.472 126 T N -0.271 114.508 114.554 0.375 0.000 2.821 126 T HA -0.206 4.144 4.350 -0.000 0.000 0.267 126 T C 1.942 176.522 174.700 -0.200 0.000 1.046 126 T CA 1.431 63.658 62.100 0.213 0.000 1.139 126 T CB -0.352 68.913 68.868 0.660 0.000 0.871 126 T HN 0.180 nan 8.240 nan 0.000 0.454 127 R N 1.380 121.467 120.500 -0.688 0.000 2.083 127 R HA -0.049 4.291 4.340 -0.000 0.000 0.237 127 R C 2.419 178.549 176.300 -0.284 0.000 1.137 127 R CA 1.468 57.012 56.100 -0.926 0.000 0.951 127 R CB -0.175 29.457 30.300 -1.113 0.000 0.851 127 R HN 0.261 nan 8.270 nan 0.000 0.434 128 R N -0.002 120.350 120.500 -0.247 0.000 2.120 128 R HA -0.048 4.292 4.340 -0.000 0.000 0.234 128 R C 2.364 178.554 176.300 -0.184 0.000 1.123 128 R CA 1.133 57.125 56.100 -0.180 0.000 0.975 128 R CB -0.332 29.868 30.300 -0.166 0.000 0.866 128 R HN 0.381 nan 8.270 nan 0.000 0.446 129 A N 1.014 123.678 122.820 -0.261 0.000 1.877 129 A HA -0.206 4.113 4.320 -0.000 0.000 0.216 129 A C 1.918 179.443 177.584 -0.099 0.000 1.186 129 A CA 1.221 53.066 52.037 -0.320 0.000 0.620 129 A CB -0.581 18.023 19.000 -0.661 0.000 0.822 129 A HN 0.379 nan 8.150 nan 0.000 0.443 130 F N 0.167 120.039 119.950 -0.131 0.000 2.113 130 F HA -0.073 4.454 4.527 -0.000 0.000 0.297 130 F C 1.723 177.502 175.800 -0.035 0.000 1.103 130 F CA 1.362 59.348 58.000 -0.024 0.000 1.248 130 F CB -0.438 38.619 39.000 0.095 0.000 0.999 130 F HN 0.116 nan 8.300 nan 0.000 0.475 131 L N 1.032 122.072 121.223 -0.305 0.000 2.127 131 L HA -0.211 4.129 4.340 -0.000 0.000 0.211 131 L C 1.715 178.408 176.870 -0.294 0.000 1.089 131 L CA 1.534 56.147 54.840 -0.379 0.000 0.757 131 L CB -1.286 40.672 42.059 -0.169 0.000 0.899 131 L HN 0.208 nan 8.230 nan 0.000 0.434 132 N N -0.467 118.108 118.700 -0.208 0.000 2.398 132 N HA 0.115 4.855 4.740 -0.000 0.000 0.188 132 N C 1.351 176.778 175.510 -0.139 0.000 1.122 132 N CA 0.865 53.825 53.050 -0.150 0.000 0.866 132 N CB 0.375 38.796 38.487 -0.111 0.000 0.970 132 N HN 0.338 nan 8.380 nan 0.000 0.462 133 G N 1.006 109.698 108.800 -0.180 0.000 2.143 133 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.249 133 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.249 133 G C 0.982 175.850 174.900 -0.053 0.000 0.981 133 G CA 0.331 45.352 45.100 -0.132 0.000 0.665 133 G HN 0.397 nan 8.290 nan 0.000 0.528 134 R N -0.992 119.479 120.500 -0.048 0.000 2.193 134 R HA 0.377 4.717 4.340 -0.000 0.000 0.213 134 R C 0.478 176.795 176.300 0.029 0.000 1.055 134 R CA 0.811 56.904 56.100 -0.013 0.000 0.995 134 R CB 0.023 30.300 30.300 -0.038 0.000 0.893 134 R HN 0.450 nan 8.270 nan 0.000 0.459 135 I N 0.818 121.422 120.570 0.056 0.000 2.769 135 I HA 0.111 4.281 4.170 -0.000 0.000 0.298 135 I C -1.119 175.156 176.117 0.264 0.000 1.128 135 I CA -1.183 60.201 61.300 0.139 0.000 1.031 135 I CB 1.982 40.066 38.000 0.140 0.000 1.235 135 I HN 0.048 nan 8.210 nan 0.000 0.423 136 D N 4.495 125.053 120.400 0.263 0.000 2.388 136 D HA 0.143 4.783 4.640 -0.000 0.000 0.254 136 D C 0.817 177.283 176.300 0.277 0.000 1.111 136 D CA -0.427 53.795 54.000 0.370 0.000 0.993 136 D CB 0.694 41.629 40.800 0.224 0.000 1.118 136 D HN 0.382 nan 8.370 nan 0.000 0.502 137 L N 0.116 121.384 121.223 0.075 0.000 2.131 137 L HA -0.018 4.322 4.340 -0.000 0.000 0.210 137 L C 1.929 178.740 176.870 -0.098 0.000 1.092 137 L CA 1.400 56.016 54.840 -0.374 0.000 0.759 137 L CB -0.532 41.187 42.059 -0.567 0.000 0.903 137 L HN 0.572 nan 8.230 nan 0.000 0.435 138 L N -1.322 119.921 121.223 0.034 0.000 2.027 138 L HA -0.241 4.099 4.340 -0.000 0.000 0.206 138 L C 2.579 179.502 176.870 0.088 0.000 1.074 138 L CA 1.480 56.368 54.840 0.079 0.000 0.745 138 L CB -0.419 41.681 42.059 0.069 0.000 0.898 138 L HN 0.382 nan 8.230 nan 0.000 0.433 139 Q N -0.534 119.332 119.800 0.109 0.000 2.119 139 Q HA -0.165 4.175 4.340 -0.000 0.000 0.201 139 Q C 2.346 178.462 176.000 0.193 0.000 0.972 139 Q CA 1.482 57.367 55.803 0.137 0.000 0.847 139 Q CB -0.227 28.596 28.738 0.142 0.000 0.903 139 Q HN 0.535 nan 8.270 nan 0.000 0.433 140 A N 1.247 124.192 122.820 0.208 0.000 1.972 140 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 140 A C 1.809 179.611 177.584 0.363 0.000 1.169 140 A CA 1.302 53.530 52.037 0.318 0.000 0.635 140 A CB -0.276 18.912 19.000 0.312 0.000 0.810 140 A HN 0.303 nan 8.150 nan 0.000 0.446 141 E N -0.385 119.932 120.200 0.195 0.000 2.107 141 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 141 E C 2.331 179.079 176.600 0.248 0.000 0.982 141 E CA 0.787 57.321 56.400 0.223 0.000 0.809 141 E CB -0.230 29.545 29.700 0.125 0.000 0.756 141 E HN 0.613 nan 8.360 nan 0.000 0.459 142 A N 1.333 124.260 122.820 0.178 0.000 1.933 142 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 142 A C 2.146 179.811 177.584 0.134 0.000 1.175 142 A CA 0.897 53.010 52.037 0.127 0.000 0.628 142 A CB -0.537 18.517 19.000 0.090 0.000 0.814 142 A HN 0.123 nan 8.150 nan 0.000 0.444 143 I N -0.336 120.347 120.570 0.189 0.000 2.127 143 I HA -0.247 3.923 4.170 -0.000 0.000 0.241 143 I C 2.724 178.863 176.117 0.038 0.000 1.075 143 I CA 1.348 62.742 61.300 0.156 0.000 1.334 143 I CB -0.593 37.576 38.000 0.282 0.000 1.040 143 I HN 0.405 nan 8.210 nan 0.000 0.405 144 G N -0.156 108.630 108.800 -0.023 0.000 2.422 144 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 144 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 144 G C 1.535 176.420 174.900 -0.025 0.000 1.146 144 G CA 0.545 45.418 45.100 -0.378 0.000 0.769 144 G HN 0.407 nan 8.290 nan 0.000 0.547 145 E N -0.569 119.672 120.200 0.068 0.000 2.106 145 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 145 E C 2.345 178.995 176.600 0.084 0.000 0.984 145 E CA 0.658 57.113 56.400 0.092 0.000 0.806 145 E CB -0.165 29.589 29.700 0.091 0.000 0.750 145 E HN 0.459 nan 8.360 nan 0.000 0.458 146 M N 0.541 120.182 119.600 0.068 0.000 2.132 146 M HA -0.152 4.328 4.480 -0.000 0.000 0.263 146 M C 2.069 178.393 176.300 0.040 0.000 1.065 146 M CA 1.354 56.707 55.300 0.089 0.000 1.122 146 M CB 0.043 32.699 32.600 0.093 0.000 1.365 146 M HN 0.076 nan 8.290 nan 0.000 0.411 147 I N -0.703 119.838 120.570 -0.048 0.000 2.142 147 I HA -0.340 3.830 4.170 -0.000 0.000 0.240 147 I C 2.057 178.048 176.117 -0.210 0.000 1.078 147 I CA 1.200 62.393 61.300 -0.178 0.000 1.343 147 I CB -0.662 37.145 38.000 -0.322 0.000 1.046 147 I HN 0.353 nan 8.210 nan 0.000 0.405 148 H N 0.843 119.878 119.070 -0.058 0.000 2.551 148 H HA 0.270 4.826 4.556 0.000 0.000 0.266 148 H C 1.075 176.395 175.328 -0.014 0.000 0.977 148 H CA 0.329 56.353 56.048 -0.040 0.000 1.163 148 H CB -0.221 29.514 29.762 -0.045 0.000 1.381 148 H HN 0.271 nan 8.280 nan 0.000 0.581 149 A N 1.433 124.308 122.820 0.092 0.000 2.547 149 A HA 0.023 4.343 4.320 -0.000 0.000 0.233 149 A C 1.025 178.638 177.584 0.048 0.000 1.067 149 A CA 0.341 52.426 52.037 0.080 0.000 0.763 149 A CB 0.242 19.311 19.000 0.115 0.000 1.007 149 A HN 0.514 nan 8.150 nan 0.000 0.506 150 R N -0.106 120.420 120.500 0.043 0.000 2.566 150 R HA 0.183 4.523 4.340 -0.000 0.000 0.388 150 R C -0.831 175.481 176.300 0.020 0.000 0.989 150 R CA 0.263 56.376 56.100 0.021 0.000 1.164 150 R CB 0.855 31.166 30.300 0.019 0.000 1.459 150 R HN 0.737 nan 8.270 nan 0.000 0.553 151 T N -0.887 113.692 114.554 0.041 0.000 2.900 151 T HA 0.125 4.475 4.350 -0.000 0.000 0.303 151 T C 0.438 175.195 174.700 0.095 0.000 1.142 151 T CA -0.786 61.341 62.100 0.046 0.000 1.007 151 T CB 2.680 71.567 68.868 0.032 0.000 1.156 151 T HN -0.160 nan 8.240 nan 0.000 0.490 152 E N 1.756 122.011 120.200 0.091 0.000 2.058 152 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 152 E C 2.253 178.945 176.600 0.153 0.000 0.997 152 E CA 2.346 58.840 56.400 0.155 0.000 0.801 152 E CB -0.358 29.403 29.700 0.102 0.000 0.746 152 E HN 0.659 nan 8.360 nan 0.000 0.450 153 S N 0.191 115.940 115.700 0.082 0.000 2.356 153 S HA -0.145 4.325 4.470 -0.000 0.000 0.223 153 S C 2.298 176.920 174.600 0.037 0.000 1.032 153 S CA 1.372 59.602 58.200 0.049 0.000 1.005 153 S CB -0.893 62.328 63.200 0.034 0.000 0.867 153 S HN 0.382 nan 8.310 nan 0.000 0.449 154 A N 1.433 124.283 122.820 0.050 0.000 1.873 154 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 154 A C 2.141 179.773 177.584 0.080 0.000 1.193 154 A CA 1.903 53.969 52.037 0.048 0.000 0.629 154 A CB -1.517 17.513 19.000 0.051 0.000 0.826 154 A HN 0.774 nan 8.150 nan 0.000 0.447 155 Y N 0.479 120.779 120.300 -0.000 0.000 2.128 155 Y HA -0.227 4.323 4.550 -0.000 0.000 0.284 155 Y C 2.386 178.289 175.900 0.005 0.000 1.154 155 Y CA 2.154 60.255 58.100 0.000 0.000 1.149 155 Y CB -0.293 38.164 38.460 -0.004 0.000 0.976 155 Y HN 0.162 nan 8.280 nan 0.000 0.505 156 R N 0.082 120.389 120.500 -0.322 0.000 2.096 156 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 156 R C 2.135 178.299 176.300 -0.227 0.000 1.127 156 R CA 1.773 57.638 56.100 -0.392 0.000 0.968 156 R CB -1.548 28.655 30.300 -0.162 0.000 0.861 156 R HN 0.467 nan 8.270 nan 0.000 0.440 157 T N 1.058 115.543 114.554 -0.114 0.000 2.777 157 T HA -0.045 4.305 4.350 -0.000 0.000 0.266 157 T C 1.973 176.634 174.700 -0.065 0.000 1.040 157 T CA 1.343 63.404 62.100 -0.064 0.000 1.141 157 T CB -0.259 68.593 68.868 -0.027 0.000 0.868 157 T HN 0.325 nan 8.240 nan 0.000 0.444 158 A N 1.242 124.025 122.820 -0.062 0.000 1.908 158 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 158 A C 2.601 180.153 177.584 -0.055 0.000 1.181 158 A CA 1.400 53.419 52.037 -0.029 0.000 0.627 158 A CB -1.138 17.872 19.000 0.016 0.000 0.818 158 A HN 0.346 nan 8.150 nan 0.000 0.445 159 V N -0.277 119.548 119.914 -0.148 0.000 2.261 159 V HA -0.244 3.875 4.120 -0.000 0.000 0.246 159 V C 2.856 178.902 176.094 -0.080 0.000 1.047 159 V CA 2.399 64.614 62.300 -0.142 0.000 1.015 159 V CB -0.889 30.764 31.823 -0.285 0.000 0.642 159 V HN 0.712 nan 8.190 nan 0.000 0.446 160 S N -1.052 114.596 115.700 -0.086 0.000 2.374 160 S HA -0.343 4.127 4.470 -0.000 0.000 0.227 160 S C 2.086 176.672 174.600 -0.023 0.000 1.037 160 S CA 2.420 60.590 58.200 -0.049 0.000 1.024 160 S CB -0.274 62.898 63.200 -0.046 0.000 0.861 160 S HN 0.693 nan 8.310 nan 0.000 0.456 161 Q N -0.592 119.195 119.800 -0.021 0.000 2.212 161 Q HA 0.083 4.423 4.340 -0.000 0.000 0.199 161 Q C 2.218 178.232 176.000 0.023 0.000 0.950 161 Q CA 0.923 56.724 55.803 -0.004 0.000 0.863 161 Q CB -0.151 28.579 28.738 -0.014 0.000 0.944 161 Q HN 0.669 nan 8.270 nan 0.000 0.465 162 M N 0.120 119.738 119.600 0.029 0.000 2.229 162 M HA -0.148 4.332 4.480 -0.000 0.000 0.264 162 M C 1.501 177.833 176.300 0.054 0.000 1.063 162 M CA 1.338 56.673 55.300 0.058 0.000 1.114 162 M CB 0.131 32.767 32.600 0.061 0.000 1.387 162 M HN 0.042 nan 8.290 nan 0.000 0.420 163 K N -0.139 120.279 120.400 0.030 0.000 2.097 163 K HA -0.057 4.263 4.320 -0.000 0.000 0.206 163 K C 0.986 177.606 176.600 0.034 0.000 1.049 163 K CA 1.137 57.441 56.287 0.028 0.000 0.933 163 K CB -0.146 32.360 32.500 0.010 0.000 0.717 163 K HN 0.639 nan 8.250 nan 0.000 0.442 164 G N 1.656 110.475 108.800 0.031 0.000 2.167 164 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.194 164 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.194 164 G C 0.092 175.006 174.900 0.023 0.000 1.027 164 G CA 0.195 45.315 45.100 0.035 0.000 0.717 164 G HN 0.170 nan 8.290 nan 0.000 0.501 165 D N 0.024 120.432 120.400 0.012 0.000 2.097 165 D HA -0.064 4.576 4.640 -0.000 0.000 0.195 165 D C 2.573 178.878 176.300 0.008 0.000 0.989 165 D CA 1.036 55.040 54.000 0.007 0.000 0.827 165 D CB -0.002 40.797 40.800 -0.001 0.000 0.966 165 D HN 0.474 nan 8.370 nan 0.000 0.456 166 L N 0.742 121.967 121.223 0.003 0.000 2.046 166 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 166 L C 2.295 179.176 176.870 0.017 0.000 1.077 166 L CA 0.986 55.828 54.840 0.003 0.000 0.747 166 L CB -0.093 41.954 42.059 -0.019 0.000 0.896 166 L HN -0.027 nan 8.230 nan 0.000 0.432 167 S N -0.793 114.922 115.700 0.025 0.000 2.368 167 S HA -0.168 4.302 4.470 -0.000 0.000 0.225 167 S C 1.862 176.482 174.600 0.034 0.000 1.030 167 S CA 1.368 59.591 58.200 0.038 0.000 0.999 167 S CB -0.275 62.955 63.200 0.049 0.000 0.844 167 S HN 0.279 nan 8.310 nan 0.000 0.459 168 V N 1.653 121.584 119.914 0.027 0.000 2.427 168 V HA -0.093 4.027 4.120 -0.000 0.000 0.248 168 V C 2.469 178.576 176.094 0.021 0.000 1.051 168 V CA 1.617 63.931 62.300 0.023 0.000 1.048 168 V CB -0.601 31.233 31.823 0.020 0.000 0.666 168 V HN 0.254 nan 8.190 nan 0.000 0.456 169 R N 0.045 120.557 120.500 0.020 0.000 2.096 169 R HA -0.068 4.272 4.340 -0.000 0.000 0.235 169 R C 2.038 178.352 176.300 0.022 0.000 1.127 169 R CA 1.574 57.685 56.100 0.019 0.000 0.968 169 R CB -0.444 29.866 30.300 0.017 0.000 0.861 169 R HN 0.480 nan 8.270 nan 0.000 0.440 170 L N -1.589 119.651 121.223 0.027 0.000 2.049 170 L HA 0.090 4.430 4.340 -0.000 0.000 0.203 170 L C 2.396 179.283 176.870 0.029 0.000 1.074 170 L CA 1.244 56.103 54.840 0.031 0.000 0.749 170 L CB -0.847 41.237 42.059 0.041 0.000 0.907 170 L HN 0.400 nan 8.230 nan 0.000 0.439 171 G N -0.180 108.638 108.800 0.029 0.000 2.499 171 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.221 171 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.221 171 G C 1.531 176.442 174.900 0.019 0.000 1.109 171 G CA 0.869 45.983 45.100 0.024 0.000 0.749 171 G HN 0.511 nan 8.290 nan 0.000 0.568 172 G N 0.783 109.594 108.800 0.018 0.000 2.402 172 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.216 172 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.216 172 G C 1.748 176.657 174.900 0.014 0.000 1.162 172 G CA 0.685 45.794 45.100 0.015 0.000 0.777 172 G HN 0.439 nan 8.290 nan 0.000 0.539 173 L N -0.347 120.886 121.223 0.017 0.000 2.109 173 L HA 0.059 4.399 4.340 -0.000 0.000 0.207 173 L C 3.083 179.962 176.870 0.015 0.000 1.086 173 L CA 0.532 55.382 54.840 0.017 0.000 0.760 173 L CB -0.424 41.648 42.059 0.021 0.000 0.910 173 L HN 0.104 nan 8.230 nan 0.000 0.437 174 R N 0.920 121.430 120.500 0.017 0.000 2.096 174 R HA -0.234 4.106 4.340 -0.000 0.000 0.240 174 R C 2.228 178.531 176.300 0.006 0.000 1.139 174 R CA 2.171 58.279 56.100 0.013 0.000 0.952 174 R CB -0.374 29.936 30.300 0.016 0.000 0.854 174 R HN 0.589 nan 8.270 nan 0.000 0.436 175 E N 0.319 120.523 120.200 0.007 0.000 2.285 175 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 175 E C 1.814 178.416 176.600 0.003 0.000 0.997 175 E CA 0.680 57.082 56.400 0.003 0.000 0.845 175 E CB -0.043 29.660 29.700 0.005 0.000 0.782 175 E HN 0.357 nan 8.360 nan 0.000 0.491 176 Q N 0.580 120.384 119.800 0.006 0.000 2.083 176 Q HA -0.024 4.316 4.340 -0.000 0.000 0.198 176 Q C 2.253 178.255 176.000 0.004 0.000 0.969 176 Q CA 1.169 56.975 55.803 0.006 0.000 0.838 176 Q CB 0.009 28.752 28.738 0.008 0.000 0.900 176 Q HN 0.358 nan 8.270 nan 0.000 0.436 177 L N 0.272 121.497 121.223 0.004 0.000 2.056 177 L HA -0.201 4.139 4.340 -0.000 0.000 0.207 177 L C 2.224 179.090 176.870 -0.007 0.000 1.078 177 L CA 0.610 55.451 54.840 0.001 0.000 0.749 177 L CB -0.313 41.747 42.059 0.002 0.000 0.901 177 L HN 0.315 nan 8.230 nan 0.000 0.433 178 I N -0.093 120.472 120.570 -0.008 0.000 2.248 178 I HA -0.340 3.830 4.170 -0.000 0.000 0.248 178 I C 2.697 178.808 176.117 -0.010 0.000 1.107 178 I CA 1.569 62.862 61.300 -0.013 0.000 1.373 178 I CB -0.908 37.085 38.000 -0.011 0.000 1.055 178 I HN 0.355 nan 8.210 nan 0.000 0.418 179 R N -0.053 120.444 120.500 -0.005 0.000 2.073 179 R HA -0.108 4.232 4.340 -0.000 0.000 0.229 179 R C 2.554 178.853 176.300 -0.002 0.000 1.120 179 R CA 1.595 57.694 56.100 -0.003 0.000 0.967 179 R CB -0.074 30.226 30.300 0.000 0.000 0.862 179 R HN 0.117 nan 8.270 nan 0.000 0.436 180 S N -0.598 115.101 115.700 -0.000 0.000 2.387 180 S HA -0.121 4.349 4.470 -0.000 0.000 0.226 180 S C 2.002 176.602 174.600 -0.001 0.000 1.026 180 S CA 0.967 59.169 58.200 0.002 0.000 0.972 180 S CB -0.330 62.873 63.200 0.005 0.000 0.814 180 S HN 0.554 nan 8.310 nan 0.000 0.477 181 C N 1.405 120.701 119.300 -0.007 0.000 2.432 181 C HA 0.120 4.580 4.460 -0.000 0.000 0.277 181 C C 2.883 177.865 174.990 -0.013 0.000 1.249 181 C CA 0.961 59.970 59.018 -0.015 0.000 1.725 181 C CB -1.389 26.334 27.740 -0.029 0.000 2.028 181 C HN 0.657 nan 8.230 nan 0.000 0.477 182 A N -0.751 122.062 122.820 -0.012 0.000 2.168 182 A HA 0.017 4.337 4.320 -0.000 0.000 0.215 182 A C 2.029 179.611 177.584 -0.004 0.000 1.152 182 A CA 1.001 53.032 52.037 -0.010 0.000 0.716 182 A CB -0.515 18.479 19.000 -0.010 0.000 0.794 182 A HN 0.715 nan 8.150 nan 0.000 0.465 183 L N -0.814 120.409 121.223 -0.001 0.000 2.044 183 L HA -0.047 4.293 4.340 -0.000 0.000 0.205 183 L C 2.244 179.118 176.870 0.006 0.000 1.075 183 L CA 1.344 56.186 54.840 0.003 0.000 0.747 183 L CB -0.167 41.895 42.059 0.004 0.000 0.903 183 L HN 0.398 nan 8.230 nan 0.000 0.435 184 I N -0.419 120.156 120.570 0.008 0.000 2.353 184 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 184 I C 2.192 178.317 176.117 0.013 0.000 1.119 184 I CA 0.775 62.083 61.300 0.013 0.000 1.417 184 I CB -0.313 37.698 38.000 0.019 0.000 1.078 184 I HN 0.238 nan 8.210 nan 0.000 0.421 185 E N 0.724 120.928 120.200 0.007 0.000 2.401 185 E HA -0.140 4.210 4.350 -0.000 0.000 0.199 185 E C 2.158 178.761 176.600 0.005 0.000 1.023 185 E CA 0.955 57.358 56.400 0.005 0.000 0.859 185 E CB -0.013 29.684 29.700 -0.006 0.000 0.780 185 E HN 0.560 nan 8.360 nan 0.000 0.523 186 L N 0.082 121.308 121.223 0.005 0.000 2.298 186 L HA -0.013 4.327 4.340 -0.000 0.000 0.209 186 L C 2.463 179.337 176.870 0.007 0.000 1.084 186 L CA 0.444 55.287 54.840 0.005 0.000 0.816 186 L CB -0.032 42.029 42.059 0.003 0.000 0.967 186 L HN 0.026 nan 8.230 nan 0.000 0.460 187 E N 0.720 120.926 120.200 0.009 0.000 2.204 187 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 187 E C 1.985 178.593 176.600 0.013 0.000 0.989 187 E CA 1.300 57.707 56.400 0.011 0.000 0.824 187 E CB 0.163 29.871 29.700 0.014 0.000 0.756 187 E HN 0.435 nan 8.360 nan 0.000 0.477 188 L N -0.448 120.784 121.223 0.015 0.000 2.592 188 L HA 0.210 4.550 4.340 -0.000 0.000 0.227 188 L C 1.753 178.632 176.870 0.014 0.000 1.127 188 L CA 1.607 56.458 54.840 0.018 0.000 0.884 188 L CB -1.354 40.720 42.059 0.026 0.000 1.065 188 L HN 0.358 nan 8.230 nan 0.000 0.457 189 D N -1.927 118.479 120.400 0.010 0.000 2.197 189 D HA 0.285 4.925 4.640 -0.000 0.000 0.212 189 D C 1.752 178.056 176.300 0.007 0.000 0.963 189 D CA 1.944 55.949 54.000 0.008 0.000 0.864 189 D CB -0.531 40.272 40.800 0.005 0.000 1.009 189 D HN 1.804 nan 8.370 nan 0.000 0.479 190 F N -0.172 119.783 119.950 0.007 0.000 3.462 190 F HA -0.193 4.334 4.527 -0.000 0.000 0.278 190 F C 2.559 178.362 175.800 0.005 0.000 1.476 190 F CA 3.131 61.135 58.000 0.007 0.000 1.622 190 F CB -1.627 37.377 39.000 0.008 0.000 0.598 190 F HN 1.273 nan 8.300 nan 0.000 0.453 191 S N -3.293 112.410 115.700 0.006 0.000 1.895 191 S HA 0.243 4.713 4.470 -0.000 0.000 0.245 191 S C 0.804 175.407 174.600 0.004 0.000 1.057 191 S CA 2.470 60.673 58.200 0.005 0.000 1.369 191 S CB -2.104 61.098 63.200 0.004 0.000 1.690 191 S HN 2.946 nan 8.310 nan 0.000 0.555 192 E N -1.738 118.464 120.200 0.004 0.000 2.101 192 E HA 0.422 4.772 4.350 -0.000 0.000 0.121 192 E C -0.413 176.189 176.600 0.004 0.000 0.753 192 E CA 1.301 57.703 56.400 0.004 0.000 1.358 192 E CB -1.570 28.132 29.700 0.003 0.000 1.965 192 E HN 1.384 nan 8.360 nan 0.000 0.515 193 E N 0.676 120.879 120.200 0.004 0.000 1.852 193 E HA 0.484 4.834 4.350 -0.000 0.000 0.276 193 E C 0.072 176.674 176.600 0.004 0.000 1.163 193 E CA 0.425 56.827 56.400 0.004 0.000 1.117 193 E CB -0.990 28.712 29.700 0.004 0.000 1.124 193 E HN 1.044 nan 8.360 nan 0.000 0.458 194 D N 0.897 121.299 120.400 0.004 0.000 2.477 194 D HA 0.445 5.085 4.640 -0.000 0.000 0.239 194 D C 0.167 176.469 176.300 0.003 0.000 1.102 194 D CA -0.306 53.697 54.000 0.004 0.000 0.901 194 D CB 1.053 41.855 40.800 0.004 0.000 1.026 194 D HN 0.364 nan 8.370 nan 0.000 0.515 195 V N 1.063 120.978 119.914 0.003 0.000 2.847 195 V HA 0.557 4.677 4.120 -0.000 0.000 0.364 195 V C 1.502 177.597 176.094 0.003 0.000 1.374 195 V CA 0.483 62.784 62.300 0.003 0.000 1.542 195 V CB -1.406 30.419 31.823 0.002 0.000 1.471 195 V HN 1.083 nan 8.190 nan 0.000 0.557 196 E N 0.250 120.451 120.200 0.003 0.000 3.464 196 E HA -0.375 3.975 4.350 -0.000 0.000 0.362 196 E C 1.189 177.791 176.600 0.003 0.000 1.544 196 E CA 2.500 58.901 56.400 0.002 0.000 1.816 196 E CB -1.628 28.073 29.700 0.002 0.000 1.767 196 E HN 2.054 nan 8.360 nan 0.000 0.458 197 F N 0.226 120.178 119.950 0.002 0.000 2.522 197 F HA 0.342 4.868 4.527 -0.000 0.000 0.174 197 F C 1.685 177.487 175.800 0.003 0.000 1.063 197 F CA 1.956 59.957 58.000 0.003 0.000 0.813 197 F CB -2.815 36.186 39.000 0.003 0.000 0.657 197 F HN 2.364 nan 8.300 nan 0.000 0.835 198 Q N 0.208 120.010 119.800 0.003 0.000 2.748 198 Q HA 0.206 4.546 4.340 -0.000 0.000 0.385 198 Q C 1.427 177.430 176.000 0.005 0.000 1.156 198 Q CA 0.907 56.712 55.803 0.004 0.000 1.143 198 Q CB -0.233 28.507 28.738 0.004 0.000 1.138 198 Q HN 1.686 nan 8.270 nan 0.000 0.445 199 S N 1.561 117.265 115.700 0.006 0.000 2.388 199 S HA -0.058 4.412 4.470 -0.000 0.000 0.223 199 S C 1.905 176.510 174.600 0.009 0.000 1.034 199 S CA 0.561 58.765 58.200 0.007 0.000 0.963 199 S CB 0.101 63.306 63.200 0.008 0.000 0.827 199 S HN 0.708 nan 8.310 nan 0.000 0.481 200 R N 1.718 122.223 120.500 0.009 0.000 2.075 200 R HA 0.006 4.346 4.340 -0.000 0.000 0.232 200 R C 1.494 177.799 176.300 0.009 0.000 1.126 200 R CA 1.299 57.405 56.100 0.010 0.000 0.963 200 R CB -1.038 29.268 30.300 0.009 0.000 0.858 200 R HN 0.377 nan 8.270 nan 0.000 0.435 201 D N 0.330 120.734 120.400 0.007 0.000 2.103 201 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 201 D C 1.724 178.028 176.300 0.007 0.000 0.978 201 D CA 0.877 54.880 54.000 0.006 0.000 0.829 201 D CB -0.288 40.514 40.800 0.004 0.000 0.981 201 D HN 0.323 nan 8.370 nan 0.000 0.464 202 E N -0.045 120.159 120.200 0.006 0.000 2.160 202 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 202 E C 1.988 178.593 176.600 0.008 0.000 0.991 202 E CA 0.566 56.970 56.400 0.006 0.000 0.810 202 E CB -0.028 29.675 29.700 0.006 0.000 0.742 202 E HN 0.204 nan 8.360 nan 0.000 0.466 203 L N -0.119 121.109 121.223 0.009 0.000 2.168 203 L HA -0.039 4.301 4.340 -0.000 0.000 0.203 203 L C 2.311 179.189 176.870 0.013 0.000 1.078 203 L CA 1.197 56.043 54.840 0.011 0.000 0.780 203 L CB -0.143 41.924 42.059 0.012 0.000 0.939 203 L HN 0.044 nan 8.230 nan 0.000 0.451 204 T N 0.029 114.591 114.554 0.013 0.000 2.737 204 T HA -0.271 4.079 4.350 -0.000 0.000 0.269 204 T C 1.810 176.517 174.700 0.012 0.000 1.040 204 T CA 2.205 64.313 62.100 0.014 0.000 1.142 204 T CB -0.251 68.625 68.868 0.013 0.000 0.861 204 T HN 0.299 nan 8.240 nan 0.000 0.456 205 M N 0.503 120.109 119.600 0.010 0.000 2.156 205 M HA -0.052 4.428 4.480 -0.000 0.000 0.264 205 M C 2.640 178.946 176.300 0.010 0.000 1.067 205 M CA 1.335 56.640 55.300 0.009 0.000 1.131 205 M CB -0.353 32.252 32.600 0.007 0.000 1.368 205 M HN 0.207 nan 8.290 nan 0.000 0.416 206 Q N 0.275 120.081 119.800 0.010 0.000 2.135 206 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 206 Q C 1.983 177.990 176.000 0.011 0.000 0.981 206 Q CA 1.157 56.965 55.803 0.010 0.000 0.856 206 Q CB -0.086 28.657 28.738 0.009 0.000 0.902 206 Q HN 0.501 nan 8.270 nan 0.000 0.425 207 I N 0.473 121.051 120.570 0.013 0.000 2.286 207 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 207 I C 1.898 178.023 176.117 0.014 0.000 1.104 207 I CA 1.354 62.663 61.300 0.015 0.000 1.397 207 I CB -1.062 36.949 38.000 0.018 0.000 1.072 207 I HN 0.245 nan 8.210 nan 0.000 0.417 208 E N 0.631 120.839 120.200 0.013 0.000 2.106 208 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 208 E C 2.146 178.752 176.600 0.011 0.000 0.984 208 E CA 1.628 58.035 56.400 0.012 0.000 0.806 208 E CB -0.025 29.682 29.700 0.011 0.000 0.750 208 E HN 0.403 nan 8.360 nan 0.000 0.458 209 T N 1.283 115.843 114.554 0.010 0.000 2.652 209 T HA -0.163 4.186 4.350 -0.000 0.000 0.267 209 T C 1.754 176.461 174.700 0.011 0.000 1.039 209 T CA 0.985 63.091 62.100 0.010 0.000 1.153 209 T CB -0.214 68.659 68.868 0.009 0.000 0.863 209 T HN 0.014 nan 8.240 nan 0.000 0.428 210 L N 0.502 121.732 121.223 0.011 0.000 2.353 210 L HA 0.050 4.390 4.340 -0.000 0.000 0.220 210 L C 2.502 179.379 176.870 0.012 0.000 1.133 210 L CA 1.308 56.155 54.840 0.012 0.000 0.798 210 L CB -0.423 41.644 42.059 0.013 0.000 0.922 210 L HN 0.110 nan 8.230 nan 0.000 0.445 211 R N -0.911 119.596 120.500 0.011 0.000 2.080 211 R HA -0.080 4.260 4.340 -0.000 0.000 0.222 211 R C 2.459 178.765 176.300 0.010 0.000 1.107 211 R CA 1.233 57.339 56.100 0.009 0.000 0.980 211 R CB -0.027 30.278 30.300 0.009 0.000 0.879 211 R HN 0.469 nan 8.270 nan 0.000 0.439 212 S N 0.205 115.911 115.700 0.012 0.000 2.481 212 S HA -0.023 4.447 4.470 -0.000 0.000 0.231 212 S C 1.523 176.132 174.600 0.015 0.000 0.996 212 S CA 0.431 58.639 58.200 0.013 0.000 0.942 212 S CB 0.064 63.272 63.200 0.012 0.000 0.768 212 S HN 0.268 nan 8.310 nan 0.000 0.520 213 E N 1.264 121.472 120.200 0.014 0.000 2.031 213 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 213 E C 2.242 178.853 176.600 0.018 0.000 0.994 213 E CA 1.357 57.767 56.400 0.016 0.000 0.800 213 E CB -0.450 29.259 29.700 0.015 0.000 0.752 213 E HN 0.456 nan 8.360 nan 0.000 0.447 214 V N 2.380 122.303 119.914 0.015 0.000 2.379 214 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 214 V C 2.117 178.220 176.094 0.016 0.000 1.044 214 V CA 1.327 63.635 62.300 0.012 0.000 1.036 214 V CB -0.523 31.300 31.823 0.001 0.000 0.664 214 V HN 0.251 nan 8.190 nan 0.000 0.453 215 N N 0.058 118.766 118.700 0.015 0.000 2.149 215 N HA -0.225 4.515 4.740 -0.000 0.000 0.188 215 N C 2.069 177.604 175.510 0.042 0.000 1.019 215 N CA 1.539 54.603 53.050 0.024 0.000 0.857 215 N CB -0.219 38.280 38.487 0.019 0.000 0.997 215 N HN 0.420 nan 8.380 nan 0.000 0.426 216 R N 1.174 121.696 120.500 0.037 0.000 2.083 216 R HA -0.084 4.256 4.340 -0.000 0.000 0.237 216 R C 2.317 178.652 176.300 0.058 0.000 1.137 216 R CA 1.077 57.201 56.100 0.041 0.000 0.951 216 R CB -0.272 30.046 30.300 0.029 0.000 0.851 216 R HN 0.172 nan 8.270 nan 0.000 0.434 217 L N 0.372 121.630 121.223 0.057 0.000 2.131 217 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 217 L C 2.304 179.248 176.870 0.123 0.000 1.092 217 L CA 1.020 55.905 54.840 0.075 0.000 0.759 217 L CB -0.216 41.877 42.059 0.057 0.000 0.903 217 L HN 0.277 nan 8.230 nan 0.000 0.435 218 I N -0.378 120.263 120.570 0.120 0.000 2.394 218 I HA -0.262 3.908 4.170 -0.000 0.000 0.251 218 I C 1.785 178.066 176.117 0.274 0.000 1.136 218 I CA 1.012 62.433 61.300 0.201 0.000 1.425 218 I CB -0.345 37.716 38.000 0.102 0.000 1.079 218 I HN 0.233 nan 8.210 nan 0.000 0.425 219 D N 0.387 120.889 120.400 0.171 0.000 2.269 219 D HA -0.091 4.549 4.640 -0.000 0.000 0.208 219 D C 2.342 178.723 176.300 0.135 0.000 0.963 219 D CA 0.853 54.938 54.000 0.141 0.000 0.864 219 D CB -0.079 40.773 40.800 0.087 0.000 0.936 219 D HN 0.175 nan 8.370 nan 0.000 0.505 220 S N -0.016 115.771 115.700 0.145 0.000 2.383 220 S HA -0.202 4.268 4.470 -0.000 0.000 0.229 220 S C 1.811 176.506 174.600 0.158 0.000 1.030 220 S CA 0.583 58.866 58.200 0.139 0.000 1.002 220 S CB -0.474 62.800 63.200 0.124 0.000 0.829 220 S HN 0.414 nan 8.310 nan 0.000 0.467 221 Y N 2.586 122.919 120.300 0.054 0.000 2.165 221 Y HA -0.339 4.211 4.550 -0.000 0.000 0.286 221 Y C 2.658 178.503 175.900 -0.091 0.000 1.155 221 Y CA 2.090 60.170 58.100 -0.035 0.000 1.164 221 Y CB -0.477 37.920 38.460 -0.105 0.000 0.978 221 Y HN 0.296 nan 8.280 nan 0.000 0.513 222 Q N -0.458 119.293 119.800 -0.082 0.000 2.142 222 Q HA -0.365 3.975 4.340 -0.000 0.000 0.213 222 Q C 2.171 178.092 176.000 -0.131 0.000 1.004 222 Q CA 2.547 58.277 55.803 -0.122 0.000 0.883 222 Q CB -0.906 27.834 28.738 0.004 0.000 0.939 222 Q HN 0.724 nan 8.270 nan 0.000 0.413 223 H N -1.533 117.454 119.070 -0.138 0.000 2.370 223 H HA 0.109 4.665 4.556 -0.000 0.000 0.304 223 H C 1.885 177.124 175.328 -0.148 0.000 1.055 223 H CA 1.028 57.006 56.048 -0.118 0.000 1.373 223 H CB -0.233 29.492 29.762 -0.061 0.000 1.423 223 H HN 0.472 nan 8.280 nan 0.000 0.533 224 G N 1.201 109.889 108.800 -0.187 0.000 2.485 224 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.221 224 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.221 224 G C 1.922 176.650 174.900 -0.287 0.000 1.115 224 G CA 0.650 45.629 45.100 -0.201 0.000 0.751 224 G HN 0.372 nan 8.290 nan 0.000 0.567 225 R N 0.100 120.307 120.500 -0.488 0.000 2.081 225 R HA 0.012 4.352 4.340 -0.000 0.000 0.235 225 R C 2.493 178.604 176.300 -0.313 0.000 1.131 225 R CA 1.248 57.045 56.100 -0.505 0.000 0.960 225 R CB -0.333 29.428 30.300 -0.898 0.000 0.856 225 R HN 0.428 nan 8.270 nan 0.000 0.436 226 I N 0.515 120.884 120.570 -0.335 0.000 2.286 226 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 226 I C 2.188 178.162 176.117 -0.237 0.000 1.115 226 I CA 0.866 62.012 61.300 -0.258 0.000 1.392 226 I CB -0.079 37.771 38.000 -0.251 0.000 1.065 226 I HN 0.044 nan 8.210 nan 0.000 0.418 227 V N -0.249 119.476 119.914 -0.314 0.000 2.427 227 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 227 V C 2.543 178.570 176.094 -0.112 0.000 1.051 227 V CA 2.142 64.314 62.300 -0.213 0.000 1.048 227 V CB -0.481 31.205 31.823 -0.228 0.000 0.666 227 V HN 0.467 nan 8.190 nan 0.000 0.456 228 S N 0.672 116.307 115.700 -0.108 0.000 2.345 228 S HA -0.158 4.312 4.470 -0.000 0.000 0.219 228 S C 1.650 176.229 174.600 -0.035 0.000 1.031 228 S CA 1.627 59.799 58.200 -0.046 0.000 0.984 228 S CB -0.080 63.107 63.200 -0.021 0.000 0.874 228 S HN 0.869 nan 8.310 nan 0.000 0.451 229 E N -0.581 119.584 120.200 -0.058 0.000 2.714 229 E HA 0.474 4.824 4.350 -0.000 0.000 0.219 229 E C 0.715 177.283 176.600 -0.053 0.000 0.979 229 E CA -0.023 56.353 56.400 -0.041 0.000 1.092 229 E CB 0.394 30.077 29.700 -0.029 0.000 1.049 229 E HN 0.538 nan 8.360 nan 0.000 0.487 404 V N 3.282 123.202 119.914 0.010 0.000 2.585 404 V HA 0.293 4.413 4.120 -0.000 0.000 0.296 404 V C 0.292 176.403 176.094 0.028 0.000 1.035 404 V CA 0.152 62.460 62.300 0.013 0.000 1.084 404 V CB -0.153 31.676 31.823 0.010 0.000 0.953 404 V HN 0.648 nan 8.190 nan 0.000 0.483 405 L N 4.694 125.936 121.223 0.032 0.000 2.352 405 L HA 0.697 5.037 4.340 -0.000 0.000 0.269 405 L C -0.210 176.682 176.870 0.037 0.000 1.034 405 L CA -0.873 54.001 54.840 0.056 0.000 0.806 405 L CB 2.037 44.139 42.059 0.072 0.000 1.244 405 L HN 0.659 nan 8.230 nan 0.000 0.447 406 V N -1.535 118.426 119.914 0.079 0.000 2.409 406 V HA 0.538 4.658 4.120 -0.000 0.000 0.291 406 V C 0.076 176.267 176.094 0.162 0.000 1.020 406 V CA -0.370 61.972 62.300 0.070 0.000 0.848 406 V CB 1.009 32.899 31.823 0.111 0.000 0.990 406 V HN 0.751 nan 8.190 nan 0.000 0.430 407 T N 2.904 117.493 114.554 0.059 0.000 2.771 407 T HA 0.289 4.639 4.350 -0.000 0.000 0.290 407 T C 0.716 175.629 174.700 0.354 0.000 1.005 407 T CA -0.172 62.017 62.100 0.147 0.000 0.944 407 T CB 0.624 69.521 68.868 0.047 0.000 1.147 407 T HN 0.948 nan 8.240 nan 0.000 0.534 408 S N 1.271 117.189 115.700 0.364 0.000 2.777 408 S HA -0.080 4.390 4.470 -0.000 0.000 0.333 408 S C 0.416 175.155 174.600 0.231 0.000 1.226 408 S CA -0.256 58.184 58.200 0.400 0.000 1.011 408 S CB -0.564 62.765 63.200 0.215 0.000 0.697 408 S HN 0.547 nan 8.310 nan 0.000 0.481 409 L N 3.197 124.432 121.223 0.019 0.000 2.704 409 L HA 0.366 4.706 4.340 -0.000 0.000 0.279 409 L C 0.840 177.649 176.870 -0.103 0.000 1.147 409 L CA 0.736 55.455 54.840 -0.203 0.000 0.994 409 L CB -0.485 41.469 42.059 -0.175 0.000 1.332 409 L HN 0.750 nan 8.230 nan 0.000 0.471 410 R N 1.088 121.491 120.500 -0.162 0.000 3.730 410 R HA 0.022 4.362 4.340 -0.000 0.000 0.089 410 R C 1.554 177.703 176.300 -0.251 0.000 0.744 410 R CA 0.406 56.359 56.100 -0.245 0.000 1.870 410 R CB -0.148 29.928 30.300 -0.373 0.000 1.596 410 R HN 0.805 nan 8.270 nan 0.000 0.447 411 H N -0.218 118.814 119.070 -0.064 0.000 2.289 411 H HA -0.194 4.362 4.556 -0.000 0.000 0.296 411 H C 1.753 177.033 175.328 -0.081 0.000 1.091 411 H CA 2.493 58.512 56.048 -0.049 0.000 1.274 411 H CB -0.597 29.160 29.762 -0.010 0.000 1.364 411 H HN 0.233 nan 8.280 nan 0.000 0.490 412 Y N 1.768 121.983 120.300 -0.142 0.000 2.053 412 Y HA -0.287 4.263 4.550 -0.000 0.000 0.277 412 Y C 2.305 178.074 175.900 -0.219 0.000 1.159 412 Y CA 2.007 59.930 58.100 -0.295 0.000 1.125 412 Y CB -0.345 37.617 38.460 -0.828 0.000 0.969 412 Y HN 0.223 nan 8.280 nan 0.000 0.492 413 E N -0.299 119.703 120.200 -0.330 0.000 2.110 413 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 413 E C 2.264 178.653 176.600 -0.352 0.000 0.988 413 E CA 0.983 57.157 56.400 -0.377 0.000 0.804 413 E CB -0.342 29.251 29.700 -0.179 0.000 0.745 413 E HN 0.593 nan 8.360 nan 0.000 0.458 414 A N 0.463 123.138 122.820 -0.243 0.000 2.014 414 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 414 A C 2.029 179.475 177.584 -0.229 0.000 1.163 414 A CA 0.680 52.590 52.037 -0.211 0.000 0.652 414 A CB -0.280 18.693 19.000 -0.044 0.000 0.808 414 A HN 0.144 nan 8.150 nan 0.000 0.449 415 L N -1.025 120.072 121.223 -0.209 0.000 2.240 415 L HA -0.093 4.247 4.340 -0.000 0.000 0.211 415 L C 2.761 179.481 176.870 -0.250 0.000 1.106 415 L CA 0.516 55.254 54.840 -0.170 0.000 0.793 415 L CB -0.313 41.685 42.059 -0.101 0.000 0.927 415 L HN 0.294 nan 8.230 nan 0.000 0.446 416 R N 0.193 120.457 120.500 -0.392 0.000 2.070 416 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 416 R C 1.954 178.056 176.300 -0.330 0.000 1.138 416 R CA 1.293 57.164 56.100 -0.380 0.000 0.936 416 R CB -0.948 29.056 30.300 -0.493 0.000 0.839 416 R HN 0.434 nan 8.270 nan 0.000 0.429 417 N N 1.205 119.623 118.700 -0.471 0.000 2.149 417 N HA -0.154 4.586 4.740 -0.000 0.000 0.188 417 N C 1.748 176.982 175.510 -0.460 0.000 1.019 417 N CA 1.531 54.192 53.050 -0.648 0.000 0.857 417 N CB -0.381 37.254 38.487 -1.420 0.000 0.997 417 N HN 0.239 nan 8.380 nan 0.000 0.426 418 A N 0.353 122.975 122.820 -0.329 0.000 1.902 418 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 418 A C 2.520 180.079 177.584 -0.042 0.000 1.181 418 A CA 2.017 54.023 52.037 -0.051 0.000 0.623 418 A CB -0.811 18.185 19.000 -0.007 0.000 0.818 418 A HN 0.346 nan 8.150 nan 0.000 0.443 419 S N -0.445 115.201 115.700 -0.090 0.000 2.371 419 S HA -0.154 4.316 4.470 -0.000 0.000 0.224 419 S C 1.678 176.250 174.600 -0.046 0.000 1.029 419 S CA 1.513 59.678 58.200 -0.058 0.000 0.978 419 S CB -0.507 62.650 63.200 -0.071 0.000 0.833 419 S HN 0.548 nan 8.310 nan 0.000 0.466 420 D N 1.771 122.126 120.400 -0.075 0.000 2.106 420 D HA -0.067 4.573 4.640 -0.000 0.000 0.191 420 D C 2.238 178.532 176.300 -0.009 0.000 0.997 420 D CA 1.565 55.535 54.000 -0.051 0.000 0.834 420 D CB -0.785 39.968 40.800 -0.080 0.000 0.956 420 D HN 0.493 nan 8.370 nan 0.000 0.448 421 A N 0.205 123.033 122.820 0.013 0.000 1.933 421 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 421 A C 2.239 179.852 177.584 0.048 0.000 1.175 421 A CA 0.945 53.019 52.037 0.062 0.000 0.628 421 A CB -0.752 18.327 19.000 0.132 0.000 0.814 421 A HN 0.169 nan 8.150 nan 0.000 0.444 422 L N -0.694 120.549 121.223 0.033 0.000 2.046 422 L HA -0.200 4.139 4.340 -0.000 0.000 0.208 422 L C 2.710 179.594 176.870 0.023 0.000 1.077 422 L CA 2.002 56.858 54.840 0.027 0.000 0.747 422 L CB -0.329 41.741 42.059 0.018 0.000 0.896 422 L HN 0.478 nan 8.230 nan 0.000 0.432 423 Q N -0.955 118.854 119.800 0.015 0.000 2.269 423 Q HA -0.116 4.224 4.340 -0.000 0.000 0.201 423 Q C 1.815 177.828 176.000 0.021 0.000 0.946 423 Q CA 0.633 56.445 55.803 0.015 0.000 0.877 423 Q CB 0.135 28.876 28.738 0.006 0.000 0.963 423 Q HN 0.509 nan 8.270 nan 0.000 0.472 424 N N 0.920 119.633 118.700 0.021 0.000 2.084 424 N HA -0.126 4.614 4.740 -0.000 0.000 0.190 424 N C 1.588 177.118 175.510 0.032 0.000 1.030 424 N CA 1.629 54.693 53.050 0.023 0.000 0.849 424 N CB -0.377 38.127 38.487 0.028 0.000 1.012 424 N HN 0.274 nan 8.380 nan 0.000 0.423 425 A N 0.369 123.213 122.820 0.040 0.000 1.930 425 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 425 A C 2.177 179.786 177.584 0.042 0.000 1.175 425 A CA 0.850 52.914 52.037 0.044 0.000 0.627 425 A CB -0.616 18.410 19.000 0.045 0.000 0.815 425 A HN 0.223 nan 8.150 nan 0.000 0.443 426 L N 0.001 121.247 121.223 0.037 0.000 2.027 426 L HA -0.120 4.220 4.340 -0.000 0.000 0.206 426 L C 2.308 179.208 176.870 0.050 0.000 1.074 426 L CA 2.544 57.406 54.840 0.037 0.000 0.745 426 L CB -0.612 41.465 42.059 0.030 0.000 0.898 426 L HN 0.608 nan 8.230 nan 0.000 0.433 427 E N -0.886 119.350 120.200 0.059 0.000 2.150 427 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 427 E C 2.333 179.014 176.600 0.134 0.000 0.985 427 E CA 0.837 57.297 56.400 0.099 0.000 0.814 427 E CB -0.136 29.611 29.700 0.077 0.000 0.752 427 E HN 0.518 nan 8.360 nan 0.000 0.466 428 L N 0.625 121.897 121.223 0.081 0.000 2.191 428 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 428 L C 2.135 179.059 176.870 0.091 0.000 1.103 428 L CA 0.762 55.647 54.840 0.076 0.000 0.769 428 L CB -0.048 42.038 42.059 0.045 0.000 0.908 428 L HN 0.254 nan 8.230 nan 0.000 0.438 429 I N -1.063 119.550 120.570 0.072 0.000 2.333 429 I HA -0.197 3.973 4.170 -0.000 0.000 0.246 429 I C 2.659 178.807 176.117 0.051 0.000 1.106 429 I CA 0.957 62.289 61.300 0.054 0.000 1.411 429 I CB -0.520 37.503 38.000 0.038 0.000 1.082 429 I HN 0.154 nan 8.210 nan 0.000 0.420 430 A N -0.175 122.678 122.820 0.055 0.000 1.978 430 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 430 A C 2.036 179.594 177.584 -0.044 0.000 1.170 430 A CA 1.504 53.546 52.037 0.009 0.000 0.636 430 A CB -0.847 18.161 19.000 0.012 0.000 0.810 430 A HN 0.471 nan 8.150 nan 0.000 0.448 431 H N -0.919 118.154 119.070 0.006 0.000 2.526 431 H HA 0.123 4.679 4.556 -0.000 0.000 0.274 431 H C -0.253 175.078 175.328 0.005 0.000 0.999 431 H CA 0.573 56.624 56.048 0.005 0.000 1.157 431 H CB 0.037 29.802 29.762 0.005 0.000 1.407 431 H HN 0.638 nan 8.280 nan 0.000 0.568 432 E N 0.720 120.970 120.200 0.082 0.000 2.389 432 E HA -0.141 4.209 4.350 -0.000 0.000 0.243 432 E C -0.355 176.277 176.600 0.054 0.000 1.154 432 E CA 0.163 56.593 56.400 0.050 0.000 0.723 432 E CB -0.898 28.817 29.700 0.026 0.000 1.261 432 E HN 0.235 nan 8.360 nan 0.000 0.390 433 S N 0.317 116.055 115.700 0.063 0.000 2.681 433 S HA 0.273 4.743 4.470 -0.000 0.000 0.270 433 S C 0.278 174.898 174.600 0.033 0.000 1.209 433 S CA -0.913 57.313 58.200 0.044 0.000 0.988 433 S CB 0.967 64.190 63.200 0.038 0.000 1.006 433 S HN 0.173 nan 8.310 nan 0.000 0.558 434 E N 1.432 121.646 120.200 0.023 0.000 2.467 434 E HA 0.004 4.354 4.350 -0.000 0.000 0.264 434 E C 1.451 178.069 176.600 0.031 0.000 1.020 434 E CA 0.457 56.870 56.400 0.022 0.000 0.945 434 E CB 0.278 29.985 29.700 0.012 0.000 0.942 434 E HN 0.728 nan 8.360 nan 0.000 0.449 435 T N -0.243 114.331 114.554 0.032 0.000 2.833 435 T HA -0.224 4.126 4.350 -0.000 0.000 0.269 435 T C 1.255 175.990 174.700 0.058 0.000 1.054 435 T CA 1.507 63.631 62.100 0.040 0.000 1.135 435 T CB -0.146 68.742 68.868 0.033 0.000 0.869 435 T HN 0.482 nan 8.240 nan 0.000 0.466 436 E N 0.914 121.149 120.200 0.058 0.000 2.085 436 E HA -0.056 4.294 4.350 -0.000 0.000 0.194 436 E C 2.202 178.877 176.600 0.125 0.000 0.994 436 E CA 1.342 57.797 56.400 0.090 0.000 0.801 436 E CB -0.353 29.379 29.700 0.053 0.000 0.743 436 E HN 0.478 nan 8.360 nan 0.000 0.453 437 L N 0.288 121.551 121.223 0.067 0.000 2.156 437 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 437 L C 2.296 179.233 176.870 0.112 0.000 1.095 437 L CA 0.627 55.506 54.840 0.064 0.000 0.770 437 L CB -0.077 41.989 42.059 0.013 0.000 0.914 437 L HN 0.164 nan 8.230 nan 0.000 0.439 438 I N -0.522 120.101 120.570 0.088 0.000 2.233 438 I HA -0.216 3.954 4.170 -0.000 0.000 0.243 438 I C 2.643 178.812 176.117 0.086 0.000 1.093 438 I CA 1.087 62.434 61.300 0.077 0.000 1.380 438 I CB -0.268 37.765 38.000 0.055 0.000 1.067 438 I HN 0.148 nan 8.210 nan 0.000 0.413 439 A N -0.202 122.671 122.820 0.090 0.000 2.070 439 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 439 A C 2.066 179.684 177.584 0.057 0.000 1.159 439 A CA 1.279 53.352 52.037 0.061 0.000 0.656 439 A CB -0.814 18.217 19.000 0.052 0.000 0.800 439 A HN 0.436 nan 8.150 nan 0.000 0.453 440 F N -0.143 119.807 119.950 -0.001 0.000 2.615 440 F HA 0.057 4.584 4.527 -0.000 0.000 0.297 440 F C 2.109 177.908 175.800 -0.001 0.000 1.124 440 F CA 0.946 58.943 58.000 -0.006 0.000 1.451 440 F CB 0.354 39.350 39.000 -0.006 0.000 1.103 440 F HN 0.178 nan 8.300 nan 0.000 0.569 441 E N -0.061 120.240 120.200 0.168 0.000 2.140 441 E HA 0.001 4.351 4.350 -0.000 0.000 0.191 441 E C 2.435 179.067 176.600 0.054 0.000 0.973 441 E CA 0.549 57.018 56.400 0.115 0.000 0.829 441 E CB -0.282 29.477 29.700 0.100 0.000 0.781 441 E HN 0.381 nan 8.360 nan 0.000 0.466 442 L N 0.513 121.752 121.223 0.026 0.000 2.083 442 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 442 L C 2.617 179.461 176.870 -0.043 0.000 1.083 442 L CA 1.011 55.851 54.840 -0.000 0.000 0.752 442 L CB -0.429 41.628 42.059 -0.003 0.000 0.899 442 L HN 0.051 nan 8.230 nan 0.000 0.433 443 R N 0.159 120.594 120.500 -0.108 0.000 2.081 443 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 443 R C 2.399 178.599 176.300 -0.167 0.000 1.131 443 R CA 1.492 57.479 56.100 -0.187 0.000 0.960 443 R CB -0.418 29.657 30.300 -0.375 0.000 0.856 443 R HN 0.353 nan 8.270 nan 0.000 0.436 444 A N 1.024 123.771 122.820 -0.123 0.000 1.930 444 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 444 A C 2.341 179.910 177.584 -0.025 0.000 1.175 444 A CA 1.570 53.539 52.037 -0.114 0.000 0.627 444 A CB -0.450 18.568 19.000 0.029 0.000 0.815 444 A HN 0.397 nan 8.150 nan 0.000 0.443 445 A N -0.203 122.664 122.820 0.079 0.000 1.858 445 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 445 A C 2.207 179.844 177.584 0.089 0.000 1.190 445 A CA 1.533 53.658 52.037 0.146 0.000 0.617 445 A CB -0.739 18.311 19.000 0.083 0.000 0.827 445 A HN 0.654 nan 8.150 nan 0.000 0.443 446 L N -0.335 120.894 121.223 0.010 0.000 2.042 446 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 446 L C 2.126 178.978 176.870 -0.031 0.000 1.076 446 L CA 2.573 57.407 54.840 -0.010 0.000 0.749 446 L CB -0.362 41.675 42.059 -0.037 0.000 0.893 446 L HN 0.523 nan 8.230 nan 0.000 0.432 447 D N -2.015 118.323 120.400 -0.103 0.000 2.178 447 D HA -0.228 4.412 4.640 -0.000 0.000 0.201 447 D C 1.802 178.013 176.300 -0.149 0.000 0.980 447 D CA 1.216 55.115 54.000 -0.168 0.000 0.842 447 D CB -0.012 40.617 40.800 -0.284 0.000 0.948 447 D HN 0.414 nan 8.370 nan 0.000 0.472 448 Y N -0.379 119.902 120.300 -0.030 0.000 2.220 448 Y HA -0.047 4.502 4.550 -0.000 0.000 0.291 448 Y C 2.377 178.261 175.900 -0.026 0.000 1.129 448 Y CA 0.408 58.488 58.100 -0.033 0.000 1.161 448 Y CB -0.640 37.795 38.460 -0.041 0.000 0.997 448 Y HN -0.081 nan 8.280 nan 0.000 0.522 449 V N -0.616 119.380 119.914 0.137 0.000 2.343 449 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 449 V C 2.524 178.655 176.094 0.062 0.000 1.051 449 V CA 2.005 64.354 62.300 0.081 0.000 1.036 449 V CB -1.405 30.453 31.823 0.058 0.000 0.654 449 V HN 0.533 nan 8.190 nan 0.000 0.451 450 G N -1.472 107.353 108.800 0.041 0.000 2.448 450 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.219 450 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.219 450 G C 1.497 176.421 174.900 0.040 0.000 1.127 450 G CA 0.836 45.957 45.100 0.033 0.000 0.766 450 G HN 0.521 nan 8.290 nan 0.000 0.552 451 Q N 0.022 119.844 119.800 0.036 0.000 2.135 451 Q HA -0.118 4.222 4.340 -0.000 0.000 0.204 451 Q C 2.503 178.513 176.000 0.018 0.000 0.981 451 Q CA 1.649 57.470 55.803 0.030 0.000 0.856 451 Q CB -0.257 28.515 28.738 0.057 0.000 0.902 451 Q HN 0.782 nan 8.270 nan 0.000 0.425 452 I N -2.380 118.211 120.570 0.036 0.000 2.617 452 I HA -0.037 4.133 4.170 -0.000 0.000 0.256 452 I C 1.546 177.698 176.117 0.059 0.000 1.167 452 I CA 1.414 62.734 61.300 0.034 0.000 1.469 452 I CB -0.400 37.663 38.000 0.106 0.000 1.098 452 I HN 0.053 nan 8.210 nan 0.000 0.436 453 T N -1.969 112.629 114.554 0.073 0.000 3.188 453 T HA 0.450 4.800 4.350 -0.000 0.000 0.250 453 T C 1.508 176.291 174.700 0.139 0.000 1.077 453 T CA 0.250 62.406 62.100 0.094 0.000 0.967 453 T CB 0.054 68.983 68.868 0.101 0.000 1.006 453 T HN 0.701 nan 8.240 nan 0.000 0.552 454 G N 1.996 110.856 108.800 0.100 0.000 2.184 454 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.264 454 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.264 454 G C 1.136 176.188 174.900 0.254 0.000 0.975 454 G CA 0.443 45.676 45.100 0.222 0.000 0.642 454 G HN 0.453 nan 8.290 nan 0.000 0.536 455 K N -0.345 120.145 120.400 0.150 0.000 2.113 455 K HA -0.042 4.278 4.320 -0.000 0.000 0.208 455 K C 1.275 177.908 176.600 0.056 0.000 1.047 455 K CA 1.520 57.859 56.287 0.087 0.000 0.928 455 K CB -0.249 32.282 32.500 0.051 0.000 0.716 455 K HN 0.460 nan 8.250 nan 0.000 0.446 456 V N 3.423 123.366 119.914 0.048 0.000 2.311 456 V HA 0.109 4.229 4.120 -0.000 0.000 0.275 456 V C 0.275 176.401 176.094 0.053 0.000 1.022 456 V CA -0.977 61.338 62.300 0.024 0.000 0.830 456 V CB 0.959 32.772 31.823 -0.017 0.000 1.012 456 V HN -0.014 nan 8.190 nan 0.000 0.452 457 V N 2.180 122.136 119.914 0.071 0.000 2.924 457 V HA 0.417 4.537 4.120 -0.000 0.000 0.305 457 V C 0.816 176.941 176.094 0.051 0.000 1.073 457 V CA 0.031 62.392 62.300 0.101 0.000 1.098 457 V CB 1.159 33.050 31.823 0.113 0.000 1.000 457 V HN 0.777 nan 8.190 nan 0.000 0.484 458 N N 0.458 119.188 118.700 0.049 0.000 2.474 458 N HA 0.001 4.741 4.740 -0.000 0.000 0.224 458 N C 1.096 176.622 175.510 0.026 0.000 1.092 458 N CA 0.717 53.780 53.050 0.021 0.000 0.844 458 N CB 0.563 39.048 38.487 -0.002 0.000 1.381 458 N HN 1.011 nan 8.380 nan 0.000 0.458 459 E N 0.491 120.719 120.200 0.047 0.000 2.883 459 E HA -0.255 4.095 4.350 -0.000 0.000 0.271 459 E C 0.249 176.866 176.600 0.027 0.000 1.049 459 E CA 1.093 57.524 56.400 0.052 0.000 0.817 459 E CB -0.667 29.062 29.700 0.047 0.000 1.407 459 E HN 0.640 nan 8.360 nan 0.000 0.434 460 E N -1.421 118.784 120.200 0.009 0.000 2.505 460 E HA 0.039 4.389 4.350 -0.000 0.000 0.212 460 E C 1.490 178.074 176.600 -0.027 0.000 0.825 460 E CA 0.594 56.992 56.400 -0.004 0.000 1.333 460 E CB 0.380 30.077 29.700 -0.006 0.000 1.319 460 E HN 0.126 nan 8.360 nan 0.000 0.658 461 V N 1.984 121.874 119.914 -0.041 0.000 2.358 461 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 461 V C 2.427 178.443 176.094 -0.130 0.000 1.047 461 V CA 1.282 63.529 62.300 -0.088 0.000 1.035 461 V CB -0.365 31.403 31.823 -0.092 0.000 0.658 461 V HN 0.352 nan 8.190 nan 0.000 0.452 462 L N 0.224 121.404 121.223 -0.072 0.000 2.129 462 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 462 L C 2.422 179.294 176.870 0.004 0.000 1.087 462 L CA 1.583 56.403 54.840 -0.033 0.000 0.757 462 L CB -0.702 41.455 42.059 0.163 0.000 0.896 462 L HN 0.485 nan 8.230 nan 0.000 0.434 463 N N -0.442 118.262 118.700 0.007 0.000 2.173 463 N HA -0.124 4.616 4.740 -0.000 0.000 0.184 463 N C 1.861 177.349 175.510 -0.036 0.000 1.025 463 N CA 2.033 55.096 53.050 0.021 0.000 0.852 463 N CB -0.211 38.289 38.487 0.021 0.000 0.998 463 N HN 0.420 nan 8.380 nan 0.000 0.427 464 T N -0.522 113.989 114.554 -0.072 0.000 3.007 464 T HA 0.047 4.397 4.350 -0.000 0.000 0.270 464 T C 2.045 176.661 174.700 -0.141 0.000 1.107 464 T CA 0.527 62.578 62.100 -0.081 0.000 1.118 464 T CB -0.201 68.624 68.868 -0.072 0.000 0.889 464 T HN 0.106 nan 8.240 nan 0.000 0.506 465 I N -0.478 119.928 120.570 -0.274 0.000 2.270 465 I HA 0.081 4.251 4.170 -0.000 0.000 0.239 465 I C 1.696 177.478 176.117 -0.557 0.000 1.080 465 I CA 1.048 62.059 61.300 -0.481 0.000 1.383 465 I CB -0.187 37.319 38.000 -0.823 0.000 1.097 465 I HN 0.127 nan 8.210 nan 0.000 0.420 466 F N 0.801 120.528 119.950 -0.372 0.000 2.811 466 F HA -0.053 4.473 4.527 -0.000 0.000 0.301 466 F C 1.750 177.470 175.800 -0.132 0.000 1.151 466 F CA 0.414 58.130 58.000 -0.472 0.000 1.412 466 F CB -0.643 38.142 39.000 -0.358 0.000 1.113 466 F HN 0.083 nan 8.300 nan 0.000 0.579 467 D N -0.089 120.354 120.400 0.071 0.000 2.277 467 D HA -0.058 4.582 4.640 -0.000 0.000 0.208 467 D C 2.011 178.393 176.300 0.137 0.000 0.962 467 D CA 0.674 54.734 54.000 0.101 0.000 0.865 467 D CB -0.001 40.831 40.800 0.053 0.000 0.939 467 D HN 0.111 nan 8.370 nan 0.000 0.510 468 K N 0.128 120.620 120.400 0.152 0.000 2.432 468 K HA 0.005 4.325 4.320 -0.000 0.000 0.196 468 K C 0.332 177.131 176.600 0.333 0.000 1.038 468 K CA 0.040 56.436 56.287 0.182 0.000 0.986 468 K CB -0.069 32.516 32.500 0.141 0.000 0.782 468 K HN 0.102 nan 8.250 nan 0.000 0.485 469 F N 1.196 121.217 119.950 0.118 0.000 2.399 469 F HA 0.041 4.568 4.527 -0.000 0.000 0.342 469 F C 1.011 176.926 175.800 0.192 0.000 1.106 469 F CA -1.840 56.281 58.000 0.201 0.000 1.196 469 F CB 0.049 39.228 39.000 0.297 0.000 1.163 469 F HN -0.028 nan 8.300 nan 0.000 0.547 470 C N 4.015 123.508 119.300 0.321 0.000 2.676 470 C HA 0.289 4.749 4.460 -0.000 0.000 0.416 470 C C 0.946 176.073 174.990 0.227 0.000 1.299 470 C CA -1.415 57.740 59.018 0.229 0.000 2.048 470 C CB -0.779 27.061 27.740 0.167 0.000 2.713 470 C HN 0.513 nan 8.230 nan 0.000 0.624 471 I N 3.187 123.868 120.570 0.184 0.000 2.691 471 I HA 0.328 4.498 4.170 -0.000 0.000 0.288 471 I C 1.268 177.510 176.117 0.208 0.000 1.143 471 I CA 1.504 62.919 61.300 0.192 0.000 1.364 471 I CB -0.720 37.367 38.000 0.145 0.000 1.435 471 I HN 1.134 nan 8.210 nan 0.000 0.551 472 G N 5.720 114.709 108.800 0.314 0.000 2.244 472 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.163 472 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.163 472 G C -0.148 174.870 174.900 0.197 0.000 1.064 472 G CA -0.107 45.175 45.100 0.302 0.000 0.757 472 G HN 0.840 nan 8.290 nan 0.000 0.484 473 K N 0.000 120.671 120.400 0.452 0.000 2.780 473 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 473 K CA 0.000 56.540 56.287 0.421 0.000 0.838 473 K CB 0.000 32.622 32.500 0.203 0.000 1.064 473 K HN 0.000 nan 8.250 nan 0.000 0.543