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 2bg9_1_E DATA FIRST_RESID 1 DATA SEQUENCE NEEGRLIEKL LGDYDKRIKP AKTLDHVIDV TLKLTLTNLI SLNEKEEALT DATA SEQUENCE TNVWIEIQWN DYRLSWNTSE YEGIDLVRIP SELLWLPDVV LENNVDGQFE DATA SEQUENCE VAYYANVLVY NDGSMYWLPP AIYRSTcPIA VTYFPFDWQN cSLVFRSQTY DATA SEQUENCE NAHEVNLQLS AEEGXXXXXX XIDPEDFTEN GEWTIRHRPA KKNYNWQLTK DATA SEQUENCE DDIDFQEIIF FLIIQRKPLF YIINIIAPCV LISSLVVLVY FLPAQAGGQK DATA SEQUENCE CTLSISVLLA QTIFLFLIAQ KVPETSLNVP LIGKYLIFVM FVSLVIVTNC DATA SEQUENCE VIVLNVSLRT PNTHXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXSCVEACN FIAKSTKEQN DSGSENENWV LIGKVIDKAC DATA SEQUENCE FWIALLLFSL GTLAIFLTGH LNQVPE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 N HA 0.000 nan 4.740 nan 0.000 0.220 1 N C 0.000 175.528 175.510 0.030 0.000 1.280 1 N CA 0.000 53.061 53.050 0.018 0.000 0.885 1 N CB 0.000 38.497 38.487 0.017 0.000 1.341 2 E N -0.759 119.458 120.200 0.028 0.000 3.313 2 E HA -0.365 3.985 4.350 -0.000 0.000 0.283 2 E C 0.875 177.502 176.600 0.045 0.000 0.941 2 E CA 1.382 57.804 56.400 0.036 0.000 0.907 2 E CB -1.004 28.723 29.700 0.045 0.000 1.458 2 E HN 0.785 nan 8.360 nan 0.000 0.463 3 E N 0.004 120.225 120.200 0.036 0.000 2.136 3 E HA -0.309 4.041 4.350 -0.000 0.000 0.208 3 E C 2.190 178.815 176.600 0.041 0.000 1.035 3 E CA 1.932 58.353 56.400 0.034 0.000 0.838 3 E CB -0.476 29.226 29.700 0.004 0.000 0.748 3 E HN 0.493 nan 8.360 nan 0.000 0.459 4 G N 0.829 109.645 108.800 0.028 0.000 2.414 4 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.215 4 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.215 4 G C 1.525 176.447 174.900 0.037 0.000 1.188 4 G CA 0.877 45.993 45.100 0.027 0.000 0.783 4 G HN 0.225 nan 8.290 nan 0.000 0.537 5 R N 0.410 120.932 120.500 0.036 0.000 2.091 5 R HA 0.017 4.356 4.340 -0.000 0.000 0.238 5 R C 2.528 178.859 176.300 0.051 0.000 1.136 5 R CA 1.008 57.131 56.100 0.038 0.000 0.959 5 R CB -0.945 29.374 30.300 0.032 0.000 0.856 5 R HN 0.355 nan 8.270 nan 0.000 0.437 6 L N 0.991 122.256 121.223 0.069 0.000 1.976 6 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 6 L C 2.743 179.675 176.870 0.102 0.000 1.071 6 L CA 1.316 56.212 54.840 0.094 0.000 0.746 6 L CB -0.569 41.576 42.059 0.143 0.000 0.890 6 L HN 0.080 nan 8.230 nan 0.000 0.432 7 I N -0.028 120.617 120.570 0.124 0.000 2.145 7 I HA -0.341 3.829 4.170 -0.000 0.000 0.244 7 I C 2.475 178.627 176.117 0.058 0.000 1.075 7 I CA 1.537 62.908 61.300 0.118 0.000 1.332 7 I CB -0.204 37.850 38.000 0.090 0.000 1.033 7 I HN 0.296 nan 8.210 nan 0.000 0.410 8 E N 0.369 120.597 120.200 0.047 0.000 2.204 8 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 8 E C 1.864 178.486 176.600 0.036 0.000 0.989 8 E CA 0.897 57.318 56.400 0.034 0.000 0.824 8 E CB -0.048 29.670 29.700 0.030 0.000 0.756 8 E HN 0.258 nan 8.360 nan 0.000 0.477 9 K N 0.844 121.268 120.400 0.040 0.000 1.984 9 K HA -0.098 4.222 4.320 -0.000 0.000 0.209 9 K C 1.909 178.531 176.600 0.038 0.000 1.046 9 K CA 1.276 57.584 56.287 0.036 0.000 0.934 9 K CB -0.754 31.766 32.500 0.034 0.000 0.717 9 K HN 0.197 nan 8.250 nan 0.000 0.438 10 L N 0.540 121.781 121.223 0.030 0.000 2.046 10 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 10 L C 2.191 179.113 176.870 0.087 0.000 1.077 10 L CA 1.252 56.115 54.840 0.037 0.000 0.747 10 L CB -0.238 41.807 42.059 -0.022 0.000 0.896 10 L HN 0.268 nan 8.230 nan 0.000 0.432 11 L N -0.691 120.557 121.223 0.043 0.000 2.261 11 L HA -0.178 4.162 4.340 -0.000 0.000 0.216 11 L C 2.441 179.383 176.870 0.120 0.000 1.114 11 L CA 0.962 55.840 54.840 0.064 0.000 0.777 11 L CB -1.247 40.808 42.059 -0.007 0.000 0.910 11 L HN 0.450 nan 8.230 nan 0.000 0.440 12 G N 0.842 109.692 108.800 0.083 0.000 2.434 12 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.214 12 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.214 12 G C 1.160 176.109 174.900 0.083 0.000 1.202 12 G CA 1.069 46.211 45.100 0.071 0.000 0.788 12 G HN 0.561 nan 8.290 nan 0.000 0.539 13 D N -1.391 119.059 120.400 0.083 0.000 2.323 13 D HA -0.059 4.581 4.640 -0.000 0.000 0.209 13 D C 0.969 177.327 176.300 0.096 0.000 0.973 13 D CA -0.691 53.351 54.000 0.070 0.000 0.874 13 D CB -0.518 40.312 40.800 0.049 0.000 0.930 13 D HN 0.240 nan 8.370 nan 0.000 0.521 14 Y N 1.871 122.173 120.300 0.003 0.000 2.954 14 Y HA 0.002 4.552 4.550 -0.000 0.000 0.351 14 Y C -0.365 175.541 175.900 0.010 0.000 1.282 14 Y CA 0.281 58.384 58.100 0.005 0.000 1.614 14 Y CB 0.011 38.480 38.460 0.015 0.000 1.183 14 Y HN -0.025 nan 8.280 nan 0.000 0.566 15 D N 7.027 127.171 120.400 -0.426 0.000 2.344 15 D HA 0.149 4.789 4.640 -0.000 0.000 0.239 15 D C 0.384 176.342 176.300 -0.569 0.000 1.064 15 D CA -0.489 53.279 54.000 -0.386 0.000 0.829 15 D CB 1.519 42.203 40.800 -0.193 0.000 1.129 15 D HN 0.571 nan 8.370 nan 0.000 0.506 16 K N 2.166 122.312 120.400 -0.424 0.000 1.984 16 K HA -0.066 4.253 4.320 -0.000 0.000 0.219 16 K C 1.561 178.070 176.600 -0.152 0.000 1.033 16 K CA 0.520 56.636 56.287 -0.285 0.000 0.983 16 K CB -0.207 32.217 32.500 -0.127 0.000 0.762 16 K HN 0.350 nan 8.250 nan 0.000 0.445 17 R N 2.562 123.002 120.500 -0.100 0.000 2.366 17 R HA 0.024 4.363 4.340 -0.000 0.000 0.201 17 R C 0.921 177.155 176.300 -0.110 0.000 1.057 17 R CA 0.226 56.280 56.100 -0.076 0.000 1.086 17 R CB -1.655 28.614 30.300 -0.050 0.000 0.914 17 R HN 0.470 nan 8.270 nan 0.000 0.476 18 I N -1.518 118.971 120.570 -0.136 0.000 2.377 18 I HA 0.380 4.550 4.170 -0.000 0.000 0.293 18 I C -0.339 175.652 176.117 -0.209 0.000 0.987 18 I CA -1.008 60.199 61.300 -0.154 0.000 1.185 18 I CB 1.567 39.491 38.000 -0.126 0.000 1.341 18 I HN -0.099 nan 8.210 nan 0.000 0.455 19 K N 8.151 128.361 120.400 -0.316 0.000 2.326 19 K HA 0.329 4.648 4.320 -0.000 0.000 0.275 19 K C -1.973 174.453 176.600 -0.290 0.000 1.018 19 K CA -1.452 54.539 56.287 -0.493 0.000 0.962 19 K CB 0.705 32.739 32.500 -0.777 0.000 0.953 19 K HN 0.509 nan 8.250 nan 0.000 0.475 20 P HA 0.077 nan 4.420 nan 0.000 0.225 20 P C -1.252 175.956 177.300 -0.153 0.000 1.768 20 P CA -0.133 62.898 63.100 -0.115 0.000 0.943 20 P CB 0.001 31.718 31.700 0.030 0.000 1.936 21 A N 2.756 125.466 122.820 -0.184 0.000 2.294 21 A HA 0.245 4.565 4.320 -0.000 0.000 0.316 21 A C 1.654 179.164 177.584 -0.123 0.000 1.359 21 A CA -0.673 51.271 52.037 -0.155 0.000 0.956 21 A CB 0.276 19.179 19.000 -0.162 0.000 1.155 21 A HN 0.340 nan 8.150 nan 0.000 0.544 22 K N 1.688 122.021 120.400 -0.113 0.000 2.090 22 K HA -0.194 4.126 4.320 -0.000 0.000 0.218 22 K C 0.526 177.089 176.600 -0.061 0.000 1.055 22 K CA 2.341 58.570 56.287 -0.097 0.000 0.941 22 K CB -0.489 31.989 32.500 -0.037 0.000 0.722 22 K HN 0.485 nan 8.250 nan 0.000 0.458 23 T N -1.403 113.130 114.554 -0.035 0.000 2.618 23 T HA 0.405 4.755 4.350 -0.000 0.000 0.293 23 T C 0.101 174.787 174.700 -0.024 0.000 1.093 23 T CA -0.739 61.348 62.100 -0.022 0.000 1.061 23 T CB 1.168 70.038 68.868 0.004 0.000 1.498 23 T HN 0.167 nan 8.240 nan 0.000 0.494 24 L N 0.835 122.049 121.223 -0.014 0.000 2.640 24 L HA 0.275 4.615 4.340 -0.000 0.000 0.230 24 L C 0.571 177.448 176.870 0.012 0.000 1.123 24 L CA 0.380 55.211 54.840 -0.017 0.000 0.900 24 L CB 0.116 42.157 42.059 -0.030 0.000 1.146 24 L HN 0.523 nan 8.230 nan 0.000 0.484 25 D N -1.740 118.686 120.400 0.044 0.000 2.369 25 D HA -0.022 4.618 4.640 -0.000 0.000 0.211 25 D C 0.861 177.253 176.300 0.153 0.000 1.077 25 D CA 0.418 54.465 54.000 0.079 0.000 0.842 25 D CB 0.462 41.299 40.800 0.062 0.000 0.947 25 D HN 0.261 nan 8.370 nan 0.000 0.509 26 H N 0.752 119.846 119.070 0.041 0.000 2.649 26 H HA 0.276 4.832 4.556 -0.000 0.000 0.258 26 H C 0.391 175.747 175.328 0.046 0.000 1.165 26 H CA -0.337 55.740 56.048 0.049 0.000 1.006 26 H CB -0.388 29.395 29.762 0.034 0.000 1.743 26 H HN -0.167 nan 8.280 nan 0.000 0.609 27 V N -1.084 118.719 119.914 -0.186 0.000 3.789 27 V HA -0.321 3.799 4.120 -0.000 0.000 0.471 27 V C 0.452 176.357 176.094 -0.315 0.000 1.698 27 V CA 0.789 62.961 62.300 -0.213 0.000 2.193 27 V CB -0.937 30.811 31.823 -0.125 0.000 2.150 27 V HN 0.468 nan 8.190 nan 0.000 0.522 28 I N 0.358 120.845 120.570 -0.137 0.000 2.783 28 I HA 0.613 4.783 4.170 -0.000 0.000 0.312 28 I C -0.103 176.053 176.117 0.065 0.000 0.988 28 I CA -0.694 60.591 61.300 -0.025 0.000 1.182 28 I CB 1.513 39.552 38.000 0.066 0.000 1.368 28 I HN 0.990 nan 8.210 nan 0.000 0.511 29 D N 6.164 126.637 120.400 0.122 0.000 2.479 29 D HA 0.271 4.911 4.640 -0.000 0.000 0.218 29 D C -0.548 175.878 176.300 0.210 0.000 1.131 29 D CA -0.133 53.945 54.000 0.130 0.000 0.916 29 D CB 0.956 41.821 40.800 0.108 0.000 1.022 29 D HN 0.027 nan 8.370 nan 0.000 0.515 30 V N 2.255 122.291 119.914 0.203 0.000 2.407 30 V HA 0.351 4.471 4.120 -0.000 0.000 0.278 30 V C 0.396 176.540 176.094 0.084 0.000 1.037 30 V CA -0.426 61.990 62.300 0.194 0.000 0.900 30 V CB 1.511 33.408 31.823 0.124 0.000 0.983 30 V HN 0.533 nan 8.190 nan 0.000 0.459 31 T N 6.597 121.216 114.554 0.109 0.000 2.829 31 T HA 0.808 5.158 4.350 -0.000 0.000 0.282 31 T C -0.442 174.264 174.700 0.010 0.000 0.990 31 T CA -0.505 61.624 62.100 0.048 0.000 1.028 31 T CB 1.150 70.053 68.868 0.059 0.000 0.951 31 T HN 0.385 nan 8.240 nan 0.000 0.460 32 L N 1.454 122.661 121.223 -0.027 0.000 2.479 32 L HA 0.757 5.097 4.340 -0.000 0.000 0.255 32 L C -0.653 176.240 176.870 0.038 0.000 1.026 32 L CA -1.278 53.549 54.840 -0.022 0.000 0.842 32 L CB 2.549 44.551 42.059 -0.094 0.000 1.444 32 L HN 0.584 nan 8.230 nan 0.000 0.409 33 K N 1.363 121.839 120.400 0.125 0.000 2.675 33 K HA 0.623 4.943 4.320 -0.000 0.000 0.280 33 K C -2.058 174.709 176.600 0.277 0.000 0.993 33 K CA -0.749 55.661 56.287 0.205 0.000 0.863 33 K CB 2.545 35.111 32.500 0.109 0.000 1.438 33 K HN 0.388 nan 8.250 nan 0.000 0.389 34 L N 1.482 122.941 121.223 0.394 0.000 2.410 34 L HA 0.497 4.837 4.340 -0.000 0.000 0.270 34 L C -0.825 176.206 176.870 0.269 0.000 0.983 34 L CA -0.864 54.200 54.840 0.373 0.000 0.822 34 L CB 2.365 44.758 42.059 0.556 0.000 1.285 34 L HN 0.585 nan 8.230 nan 0.000 0.409 35 T N 3.836 118.578 114.554 0.314 0.000 2.756 35 T HA 0.464 4.813 4.350 -0.000 0.000 0.290 35 T C 0.186 175.061 174.700 0.293 0.000 0.985 35 T CA -0.431 61.884 62.100 0.360 0.000 0.955 35 T CB 0.945 70.165 68.868 0.588 0.000 0.930 35 T HN 0.289 nan 8.240 nan 0.000 0.451 36 L N 2.582 123.871 121.223 0.111 0.000 2.467 36 L HA 0.232 4.572 4.340 -0.000 0.000 0.270 36 L C 1.146 177.948 176.870 -0.112 0.000 1.205 36 L CA 0.378 55.213 54.840 -0.008 0.000 0.828 36 L CB 0.626 42.689 42.059 0.008 0.000 1.101 36 L HN 0.777 nan 8.230 nan 0.000 0.479 37 T N -0.426 113.953 114.554 -0.291 0.000 3.147 37 T HA 0.123 4.473 4.350 -0.000 0.000 0.275 37 T C -0.437 174.110 174.700 -0.254 0.000 0.879 37 T CA -0.260 61.577 62.100 -0.439 0.000 0.863 37 T CB 0.150 68.331 68.868 -1.146 0.000 1.236 37 T HN 0.483 nan 8.240 nan 0.000 0.582 38 N N 1.077 119.678 118.700 -0.165 0.000 2.718 38 N HA 0.291 5.031 4.740 -0.000 0.000 0.260 38 N C -2.238 173.276 175.510 0.007 0.000 1.089 38 N CA -0.449 52.553 53.050 -0.080 0.000 1.021 38 N CB 1.480 39.898 38.487 -0.115 0.000 1.618 38 N HN 0.071 nan 8.380 nan 0.000 0.554 39 L N 5.811 127.084 121.223 0.084 0.000 2.371 39 L HA 0.569 4.908 4.340 -0.000 0.000 0.262 39 L C 0.599 177.581 176.870 0.187 0.000 1.054 39 L CA -0.138 54.808 54.840 0.177 0.000 0.924 39 L CB 0.089 42.351 42.059 0.338 0.000 1.295 39 L HN 0.716 nan 8.230 nan 0.000 0.441 40 I N 0.746 121.383 120.570 0.112 0.000 2.406 40 I HA -0.011 4.159 4.170 -0.000 0.000 0.249 40 I C 0.414 176.596 176.117 0.108 0.000 1.122 40 I CA 0.720 62.071 61.300 0.086 0.000 1.431 40 I CB -0.059 37.965 38.000 0.041 0.000 1.087 40 I HN 0.709 nan 8.210 nan 0.000 0.424 41 S N 0.676 116.433 115.700 0.095 0.000 2.668 41 S HA 0.508 4.978 4.470 -0.000 0.000 0.277 41 S C -0.994 173.617 174.600 0.017 0.000 1.170 41 S CA -0.727 57.514 58.200 0.068 0.000 0.994 41 S CB 1.951 65.168 63.200 0.029 0.000 1.051 41 S HN 0.006 nan 8.310 nan 0.000 0.484 42 L N 3.509 124.720 121.223 -0.019 0.000 2.313 42 L HA 0.539 4.879 4.340 -0.000 0.000 0.273 42 L C -0.698 176.101 176.870 -0.117 0.000 1.028 42 L CA -0.127 54.600 54.840 -0.188 0.000 0.871 42 L CB 0.665 42.358 42.059 -0.610 0.000 1.242 42 L HN 0.767 nan 8.230 nan 0.000 0.434 43 N N 2.609 121.264 118.700 -0.076 0.000 2.936 43 N HA 0.120 4.860 4.740 -0.000 0.000 0.243 43 N C 0.832 176.321 175.510 -0.035 0.000 1.149 43 N CA -0.076 52.951 53.050 -0.039 0.000 0.914 43 N CB 1.165 39.637 38.487 -0.025 0.000 1.179 43 N HN 0.538 nan 8.380 nan 0.000 0.502 44 E N 1.637 121.822 120.200 -0.024 0.000 2.106 44 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 44 E C 1.597 178.219 176.600 0.038 0.000 0.984 44 E CA 1.301 57.715 56.400 0.023 0.000 0.806 44 E CB 0.308 30.056 29.700 0.079 0.000 0.750 44 E HN 0.527 nan 8.360 nan 0.000 0.458 45 K N 0.010 120.427 120.400 0.028 0.000 2.211 45 K HA -0.154 4.166 4.320 -0.000 0.000 0.204 45 K C 1.273 177.872 176.600 -0.002 0.000 1.047 45 K CA 1.479 57.773 56.287 0.011 0.000 0.935 45 K CB 0.074 32.572 32.500 -0.003 0.000 0.728 45 K HN -0.010 nan 8.250 nan 0.000 0.452 46 E N 0.802 120.997 120.200 -0.009 0.000 2.498 46 E HA 0.043 4.393 4.350 -0.000 0.000 0.203 46 E C -0.699 175.886 176.600 -0.026 0.000 1.013 46 E CA 0.070 56.460 56.400 -0.018 0.000 0.927 46 E CB 0.519 30.207 29.700 -0.020 0.000 1.012 46 E HN 0.356 nan 8.360 nan 0.000 0.482 47 E N -0.061 120.125 120.200 -0.024 0.000 2.287 47 E HA -0.191 4.159 4.350 -0.000 0.000 0.229 47 E C -0.578 175.989 176.600 -0.056 0.000 1.194 47 E CA 0.499 56.877 56.400 -0.038 0.000 0.704 47 E CB -1.328 28.347 29.700 -0.043 0.000 1.216 47 E HN 0.230 nan 8.360 nan 0.000 0.381 48 A N 0.668 123.453 122.820 -0.059 0.000 2.498 48 A HA 0.885 5.204 4.320 -0.000 0.000 0.298 48 A C -0.843 176.692 177.584 -0.081 0.000 1.075 48 A CA -0.651 51.340 52.037 -0.076 0.000 0.714 48 A CB 1.419 20.379 19.000 -0.068 0.000 1.299 48 A HN 0.426 nan 8.150 nan 0.000 0.407 49 L N -1.436 119.728 121.223 -0.098 0.000 2.479 49 L HA 0.971 5.310 4.340 -0.000 0.000 0.255 49 L C -0.892 175.922 176.870 -0.093 0.000 1.026 49 L CA -0.252 54.541 54.840 -0.077 0.000 0.842 49 L CB 1.974 43.996 42.059 -0.061 0.000 1.444 49 L HN 0.489 nan 8.230 nan 0.000 0.409 50 T N 0.527 115.063 114.554 -0.029 0.000 2.841 50 T HA 0.763 5.113 4.350 -0.000 0.000 0.285 50 T C -0.647 174.093 174.700 0.066 0.000 0.991 50 T CA -0.418 61.681 62.100 -0.001 0.000 0.966 50 T CB 1.533 70.407 68.868 0.009 0.000 0.962 50 T HN 0.800 nan 8.240 nan 0.000 0.438 51 T N 2.607 117.254 114.554 0.154 0.000 2.909 51 T HA 0.418 4.768 4.350 -0.000 0.000 0.299 51 T C -0.469 174.240 174.700 0.015 0.000 1.073 51 T CA -0.795 61.377 62.100 0.120 0.000 0.999 51 T CB 1.637 70.603 68.868 0.163 0.000 1.098 51 T HN 0.582 nan 8.240 nan 0.000 0.477 52 N N 2.029 120.662 118.700 -0.112 0.000 2.469 52 N HA 0.442 5.182 4.740 -0.000 0.000 0.239 52 N C -0.281 175.028 175.510 -0.336 0.000 1.053 52 N CA -0.515 52.386 53.050 -0.248 0.000 0.937 52 N CB 0.479 38.801 38.487 -0.276 0.000 1.163 52 N HN 0.460 nan 8.380 nan 0.000 0.509 53 V N 1.627 121.335 119.914 -0.343 0.000 2.439 53 V HA 0.504 4.623 4.120 -0.000 0.000 0.282 53 V C -0.315 175.678 176.094 -0.168 0.000 1.039 53 V CA -0.896 61.259 62.300 -0.241 0.000 0.913 53 V CB 0.722 32.401 31.823 -0.240 0.000 0.983 53 V HN 0.559 nan 8.190 nan 0.000 0.460 54 W N 5.869 127.141 121.300 -0.046 0.000 2.416 54 W HA 0.369 5.029 4.660 -0.000 0.000 0.318 54 W C 0.087 176.571 176.519 -0.059 0.000 1.150 54 W CA -1.036 56.284 57.345 -0.042 0.000 1.392 54 W CB 1.281 30.740 29.460 -0.002 0.000 1.311 54 W HN 0.703 nan 8.180 nan 0.000 0.436 55 I N 3.669 124.279 120.570 0.065 0.000 2.278 55 I HA 0.062 4.232 4.170 -0.000 0.000 0.300 55 I C 0.447 176.512 176.117 -0.087 0.000 1.174 55 I CA -0.116 61.149 61.300 -0.058 0.000 1.347 55 I CB -0.227 37.627 38.000 -0.244 0.000 1.473 55 I HN 0.304 nan 8.210 nan 0.000 0.595 56 E N 7.241 127.446 120.200 0.008 0.000 2.104 56 E HA 0.220 4.569 4.350 -0.000 0.000 0.278 56 E C -0.823 175.723 176.600 -0.089 0.000 1.127 56 E CA -0.158 56.202 56.400 -0.068 0.000 0.897 56 E CB 0.387 30.044 29.700 -0.071 0.000 1.043 56 E HN 0.654 nan 8.360 nan 0.000 0.410 57 I N 4.647 125.150 120.570 -0.111 0.000 2.377 57 I HA 0.264 4.434 4.170 -0.000 0.000 0.293 57 I C -0.030 176.232 176.117 0.242 0.000 0.987 57 I CA -0.487 60.797 61.300 -0.026 0.000 1.185 57 I CB 1.438 39.345 38.000 -0.156 0.000 1.341 57 I HN 0.496 nan 8.210 nan 0.000 0.455 58 Q N 6.168 126.173 119.800 0.340 0.000 2.391 58 Q HA 0.527 4.866 4.340 -0.000 0.000 0.279 58 Q C -1.712 174.710 176.000 0.703 0.000 1.028 58 Q CA -0.883 55.262 55.803 0.569 0.000 0.836 58 Q CB 3.140 31.960 28.738 0.137 0.000 1.414 58 Q HN 0.771 nan 8.270 nan 0.000 0.397 59 W N 0.434 121.790 121.300 0.093 0.000 2.799 59 W HA 0.531 5.190 4.660 -0.000 0.000 0.416 59 W C -1.935 174.679 176.519 0.159 0.000 1.108 59 W CA -0.785 56.639 57.345 0.131 0.000 1.169 59 W CB 0.832 30.398 29.460 0.178 0.000 1.471 59 W HN 0.437 nan 8.180 nan 0.000 0.586 60 N N 1.011 119.801 118.700 0.150 0.000 2.258 60 N HA 0.365 5.105 4.740 -0.000 0.000 0.299 60 N C -2.167 173.399 175.510 0.094 0.000 1.047 60 N CA -0.692 52.342 53.050 -0.027 0.000 0.814 60 N CB 2.083 40.593 38.487 0.038 0.000 1.413 60 N HN 0.447 nan 8.380 nan 0.000 0.478 61 D N 1.769 122.183 120.400 0.022 0.000 2.445 61 D HA -0.003 4.637 4.640 -0.000 0.000 0.236 61 D C -0.380 175.972 176.300 0.086 0.000 1.315 61 D CA -0.464 53.584 54.000 0.080 0.000 0.924 61 D CB 0.159 41.091 40.800 0.220 0.000 1.447 61 D HN 0.552 nan 8.370 nan 0.000 0.532 62 Y N 2.773 123.066 120.300 -0.013 0.000 2.553 62 Y HA 0.200 4.750 4.550 -0.000 0.000 0.303 62 Y C 1.595 177.445 175.900 -0.083 0.000 1.194 62 Y CA 0.022 58.091 58.100 -0.051 0.000 1.305 62 Y CB -0.648 37.784 38.460 -0.046 0.000 1.045 62 Y HN 0.305 nan 8.280 nan 0.000 0.514 63 R N 0.848 121.491 120.500 0.238 0.000 2.371 63 R HA -0.020 4.320 4.340 -0.000 0.000 0.226 63 R C 0.242 176.546 176.300 0.008 0.000 1.132 63 R CA 1.281 57.470 56.100 0.149 0.000 1.027 63 R CB -0.233 30.103 30.300 0.060 0.000 0.848 63 R HN 0.596 nan 8.270 nan 0.000 0.479 64 L N -0.120 121.037 121.223 -0.110 0.000 3.483 64 L HA 0.185 4.525 4.340 -0.000 0.000 0.327 64 L C -0.281 176.086 176.870 -0.837 0.000 1.318 64 L CA -0.424 54.085 54.840 -0.553 0.000 0.979 64 L CB 1.155 42.839 42.059 -0.626 0.000 1.404 64 L HN 0.000 nan 8.230 nan 0.000 0.615 65 S N 0.212 115.699 115.700 -0.354 0.000 2.560 65 S HA 0.175 4.645 4.470 -0.000 0.000 0.284 65 S C -0.392 174.055 174.600 -0.255 0.000 1.327 65 S CA 0.019 58.106 58.200 -0.188 0.000 1.055 65 S CB 0.455 63.555 63.200 -0.166 0.000 0.868 65 S HN 0.234 nan 8.310 nan 0.000 0.506 66 W N 2.955 124.291 121.300 0.060 0.000 3.154 66 W HA 0.527 5.187 4.660 -0.000 0.000 0.454 66 W C 0.805 177.392 176.519 0.113 0.000 1.488 66 W CA -0.980 56.420 57.345 0.092 0.000 1.275 66 W CB -0.318 29.220 29.460 0.129 0.000 2.277 66 W HN 0.716 nan 8.180 nan 0.000 0.683 67 N N -1.128 117.823 118.700 0.418 0.000 3.084 67 N HA 0.257 4.996 4.740 -0.000 0.000 0.336 67 N C 0.532 176.248 175.510 0.343 0.000 1.391 67 N CA -0.471 52.762 53.050 0.305 0.000 0.712 67 N CB -0.071 38.523 38.487 0.177 0.000 1.248 67 N HN 0.150 nan 8.380 nan 0.000 0.545 68 T N 0.420 115.092 114.554 0.196 0.000 2.951 68 T HA -0.097 4.253 4.350 -0.000 0.000 0.268 68 T C 1.866 176.577 174.700 0.018 0.000 1.073 68 T CA 1.243 63.398 62.100 0.092 0.000 1.134 68 T CB -0.351 68.553 68.868 0.060 0.000 0.884 68 T HN 0.584 nan 8.240 nan 0.000 0.479 69 S N -0.213 115.517 115.700 0.050 0.000 2.631 69 S HA 0.168 4.638 4.470 -0.000 0.000 0.217 69 S C 1.225 175.800 174.600 -0.041 0.000 0.958 69 S CA 0.428 58.633 58.200 0.008 0.000 0.920 69 S CB 0.172 63.395 63.200 0.039 0.000 0.776 69 S HN 0.299 nan 8.310 nan 0.000 0.517 70 E N -0.560 119.608 120.200 -0.054 0.000 2.714 70 E HA 0.127 4.477 4.350 -0.000 0.000 0.240 70 E C 0.963 177.352 176.600 -0.351 0.000 1.102 70 E CA 0.298 56.521 56.400 -0.294 0.000 1.758 70 E CB -0.707 28.763 29.700 -0.383 0.000 2.849 70 E HN 0.374 nan 8.360 nan 0.000 1.071 71 Y N 1.962 122.200 120.300 -0.104 0.000 2.114 71 Y HA 0.132 4.682 4.550 -0.000 0.000 0.284 71 Y C 2.057 177.944 175.900 -0.021 0.000 1.119 71 Y CA 2.407 60.514 58.100 0.011 0.000 1.108 71 Y CB -0.565 38.031 38.460 0.227 0.000 0.995 71 Y HN 0.115 nan 8.280 nan 0.000 0.491 72 E N 0.196 119.816 120.200 -0.967 0.000 2.110 72 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 72 E C 2.442 178.768 176.600 -0.457 0.000 0.988 72 E CA 1.167 56.987 56.400 -0.966 0.000 0.804 72 E CB -0.726 28.661 29.700 -0.521 0.000 0.745 72 E HN 0.695 nan 8.360 nan 0.000 0.458 73 G N 1.926 110.544 108.800 -0.303 0.000 2.574 73 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 73 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 73 G C 0.947 175.701 174.900 -0.242 0.000 1.173 73 G CA 1.472 46.435 45.100 -0.228 0.000 0.772 73 G HN 0.443 nan 8.290 nan 0.000 0.585 74 I N -2.812 117.588 120.570 -0.283 0.000 2.651 74 I HA 0.309 4.478 4.170 -0.000 0.000 0.287 74 I C -1.233 174.703 176.117 -0.302 0.000 1.244 74 I CA -1.213 59.924 61.300 -0.270 0.000 1.061 74 I CB 1.181 39.036 38.000 -0.241 0.000 1.286 74 I HN -0.119 nan 8.210 nan 0.000 0.434 75 D N 5.161 125.373 120.400 -0.313 0.000 2.400 75 D HA 0.093 4.732 4.640 -0.000 0.000 0.242 75 D C 0.300 176.184 176.300 -0.694 0.000 1.077 75 D CA 0.817 54.595 54.000 -0.370 0.000 0.943 75 D CB 0.611 41.204 40.800 -0.345 0.000 0.882 75 D HN 0.493 nan 8.370 nan 0.000 0.529 76 L N 0.345 121.305 121.223 -0.438 0.000 2.436 76 L HA 0.392 4.731 4.340 -0.000 0.000 0.268 76 L C -1.463 175.264 176.870 -0.238 0.000 0.974 76 L CA -0.656 53.970 54.840 -0.356 0.000 0.826 76 L CB 2.347 44.202 42.059 -0.340 0.000 1.291 76 L HN -0.343 nan 8.230 nan 0.000 0.406 77 V N 4.221 124.040 119.914 -0.157 0.000 2.841 77 V HA 0.611 4.731 4.120 -0.000 0.000 0.310 77 V C -0.832 175.229 176.094 -0.056 0.000 1.090 77 V CA -0.826 61.394 62.300 -0.134 0.000 0.930 77 V CB 2.279 34.012 31.823 -0.150 0.000 1.014 77 V HN 0.628 nan 8.190 nan 0.000 0.425 78 R N 4.247 124.711 120.500 -0.060 0.000 2.287 78 R HA 0.576 4.916 4.340 -0.000 0.000 0.316 78 R C -0.984 175.305 176.300 -0.019 0.000 1.050 78 R CA -0.220 55.862 56.100 -0.031 0.000 0.983 78 R CB 1.526 31.798 30.300 -0.046 0.000 1.140 78 R HN 0.700 nan 8.270 nan 0.000 0.528 79 I N 3.735 124.313 120.570 0.015 0.000 2.433 79 I HA 0.365 4.535 4.170 -0.000 0.000 0.292 79 I C -2.125 173.981 176.117 -0.017 0.000 1.001 79 I CA -2.473 58.839 61.300 0.019 0.000 1.119 79 I CB 2.484 40.535 38.000 0.084 0.000 1.289 79 I HN 0.204 nan 8.210 nan 0.000 0.438 80 P HA -0.113 nan 4.420 nan 0.000 0.264 80 P C 0.622 177.850 177.300 -0.120 0.000 1.156 80 P CA 0.426 63.482 63.100 -0.074 0.000 0.756 80 P CB 0.485 32.165 31.700 -0.033 0.000 0.764 81 S N 3.367 118.920 115.700 -0.245 0.000 2.433 81 S HA -0.364 4.106 4.470 -0.000 0.000 0.270 81 S C 1.482 175.972 174.600 -0.182 0.000 1.068 81 S CA 2.052 60.014 58.200 -0.398 0.000 1.375 81 S CB -1.473 61.467 63.200 -0.434 0.000 1.255 81 S HN 0.502 nan 8.310 nan 0.000 0.442 82 E N 0.965 121.122 120.200 -0.072 0.000 2.476 82 E HA -0.017 4.332 4.350 -0.000 0.000 0.206 82 E C 0.613 177.278 176.600 0.108 0.000 1.079 82 E CA 0.529 56.964 56.400 0.058 0.000 0.891 82 E CB -0.320 29.415 29.700 0.058 0.000 0.821 82 E HN 0.447 nan 8.360 nan 0.000 0.572 83 L N 0.001 121.289 121.223 0.107 0.000 3.017 83 L HA 0.423 4.762 4.340 -0.000 0.000 0.255 83 L C -0.244 176.811 176.870 0.309 0.000 1.247 83 L CA 0.070 55.054 54.840 0.240 0.000 1.038 83 L CB -0.647 41.519 42.059 0.177 0.000 1.380 83 L HN 0.083 nan 8.230 nan 0.000 0.548 84 L N -2.308 119.054 121.223 0.230 0.000 3.133 84 L HA 0.291 4.631 4.340 -0.000 0.000 0.280 84 L C -1.609 175.402 176.870 0.236 0.000 1.009 84 L CA -0.577 54.441 54.840 0.297 0.000 0.982 84 L CB 1.312 43.629 42.059 0.428 0.000 1.530 84 L HN -0.004 nan 8.230 nan 0.000 0.394 85 W N 3.185 124.512 121.300 0.044 0.000 2.322 85 W HA 0.490 5.150 4.660 -0.000 0.000 0.328 85 W C -1.323 175.039 176.519 -0.261 0.000 1.395 85 W CA -0.348 56.926 57.345 -0.119 0.000 1.267 85 W CB 0.123 29.509 29.460 -0.124 0.000 1.259 85 W HN 0.251 nan 8.180 nan 0.000 0.560 86 L N 10.019 131.052 121.223 -0.316 0.000 2.343 86 L HA 0.379 4.719 4.340 -0.000 0.000 0.278 86 L C -1.792 174.813 176.870 -0.441 0.000 0.996 86 L CA -2.207 52.478 54.840 -0.257 0.000 0.831 86 L CB 1.705 43.903 42.059 0.231 0.000 1.232 86 L HN 0.311 nan 8.230 nan 0.000 0.413 87 P HA 0.045 nan 4.420 nan 0.000 0.275 87 P C -0.967 176.169 177.300 -0.274 0.000 1.276 87 P CA -0.251 62.570 63.100 -0.465 0.000 0.782 87 P CB 0.646 32.052 31.700 -0.490 0.000 0.851 88 D N 4.021 124.281 120.400 -0.235 0.000 2.416 88 D HA 0.053 4.692 4.640 -0.000 0.000 0.240 88 D C 0.622 176.817 176.300 -0.175 0.000 1.250 88 D CA -0.467 53.402 54.000 -0.219 0.000 0.967 88 D CB 0.343 41.031 40.800 -0.187 0.000 1.059 88 D HN 0.145 nan 8.370 nan 0.000 0.512 89 V N 1.053 120.782 119.914 -0.309 0.000 3.051 89 V HA 0.613 4.733 4.120 -0.000 0.000 0.306 89 V C -0.044 175.943 176.094 -0.180 0.000 1.083 89 V CA -0.280 61.840 62.300 -0.299 0.000 1.104 89 V CB 1.270 32.790 31.823 -0.505 0.000 1.027 89 V HN 0.418 nan 8.190 nan 0.000 0.483 90 V N 4.145 124.226 119.914 0.278 0.000 3.088 90 V HA 0.216 4.336 4.120 -0.000 0.000 0.272 90 V C -1.106 175.278 176.094 0.483 0.000 1.611 90 V CA -0.661 61.989 62.300 0.584 0.000 0.990 90 V CB 2.073 34.112 31.823 0.360 0.000 1.234 90 V HN 0.933 nan 8.190 nan 0.000 0.453 91 L N 3.561 125.023 121.223 0.398 0.000 2.282 91 L HA 0.344 4.683 4.340 -0.000 0.000 0.287 91 L C 1.557 178.505 176.870 0.130 0.000 1.075 91 L CA 0.717 55.706 54.840 0.247 0.000 0.839 91 L CB 0.452 42.574 42.059 0.105 0.000 1.219 91 L HN 1.020 nan 8.230 nan 0.000 0.434 92 E N 3.711 123.984 120.200 0.122 0.000 2.110 92 E HA -0.372 3.977 4.350 -0.000 0.000 0.225 92 E C 1.305 177.929 176.600 0.040 0.000 1.063 92 E CA 2.739 59.183 56.400 0.073 0.000 0.906 92 E CB 0.215 29.946 29.700 0.052 0.000 0.795 92 E HN 0.755 nan 8.360 nan 0.000 0.479 93 N N -0.578 118.138 118.700 0.028 0.000 2.446 93 N HA -0.047 4.693 4.740 -0.000 0.000 0.179 93 N C 1.094 176.591 175.510 -0.022 0.000 1.054 93 N CA 1.443 54.493 53.050 0.001 0.000 0.905 93 N CB 0.156 38.642 38.487 -0.002 0.000 0.973 93 N HN 0.149 nan 8.380 nan 0.000 0.448 94 N N -1.123 117.560 118.700 -0.028 0.000 2.765 94 N HA 0.177 4.916 4.740 -0.000 0.000 0.230 94 N C -0.808 174.600 175.510 -0.170 0.000 1.022 94 N CA 0.160 53.151 53.050 -0.097 0.000 1.106 94 N CB 0.262 38.684 38.487 -0.110 0.000 1.527 94 N HN -0.150 nan 8.380 nan 0.000 0.507 95 V N 2.914 122.704 119.914 -0.206 0.000 2.725 95 V HA -0.133 3.986 4.120 -0.000 0.000 0.283 95 V C 0.503 176.512 176.094 -0.141 0.000 0.977 95 V CA 1.164 63.298 62.300 -0.276 0.000 1.184 95 V CB -0.340 31.458 31.823 -0.042 0.000 0.863 95 V HN 0.379 nan 8.190 nan 0.000 0.459 96 D N 3.347 123.638 120.400 -0.183 0.000 2.433 96 D HA 0.186 4.826 4.640 -0.000 0.000 0.211 96 D C 0.705 176.963 176.300 -0.070 0.000 1.114 96 D CA 0.614 54.557 54.000 -0.094 0.000 0.837 96 D CB 1.101 41.846 40.800 -0.093 0.000 0.984 96 D HN 0.659 nan 8.370 nan 0.000 0.505 97 G N 1.158 109.898 108.800 -0.100 0.000 2.723 97 G HA2 0.247 4.207 3.960 -0.000 0.000 0.295 97 G HA3 0.247 4.207 3.960 -0.000 0.000 0.295 97 G C -0.270 174.648 174.900 0.030 0.000 1.464 97 G CA -0.500 44.579 45.100 -0.035 0.000 1.012 97 G HN -0.156 nan 8.290 nan 0.000 0.522 98 Q N 1.390 121.255 119.800 0.108 0.000 2.368 98 Q HA -0.038 4.302 4.340 -0.000 0.000 0.331 98 Q C 0.088 176.257 176.000 0.280 0.000 1.086 98 Q CA 0.541 56.476 55.803 0.221 0.000 1.031 98 Q CB 0.518 29.365 28.738 0.181 0.000 1.125 98 Q HN 0.455 nan 8.270 nan 0.000 0.389 99 F N 1.622 121.684 119.950 0.186 0.000 2.629 99 F HA -0.112 4.415 4.527 -0.000 0.000 0.369 99 F C 0.987 176.866 175.800 0.131 0.000 1.125 99 F CA 0.746 58.836 58.000 0.150 0.000 1.330 99 F CB 0.330 39.370 39.000 0.066 0.000 1.071 99 F HN 0.355 nan 8.300 nan 0.000 0.595 100 E N 1.661 121.984 120.200 0.206 0.000 2.114 100 E HA 0.469 4.819 4.350 -0.000 0.000 0.266 100 E C -0.170 176.456 176.600 0.044 0.000 0.896 100 E CA -0.540 55.937 56.400 0.128 0.000 0.750 100 E CB 1.762 31.505 29.700 0.072 0.000 1.121 100 E HN 0.485 nan 8.360 nan 0.000 0.413 101 V N 1.681 121.574 119.914 -0.036 0.000 3.129 101 V HA -0.338 3.782 4.120 -0.000 0.000 0.179 101 V C 1.206 177.265 176.094 -0.059 0.000 0.447 101 V CA 1.647 63.850 62.300 -0.160 0.000 1.137 101 V CB -1.993 29.773 31.823 -0.095 0.000 1.301 101 V HN 0.853 nan 8.190 nan 0.000 1.146 102 A N -2.250 120.611 122.820 0.068 0.000 2.251 102 A HA 0.506 4.826 4.320 -0.000 0.000 0.209 102 A C 0.378 178.057 177.584 0.157 0.000 1.187 102 A CA 1.393 53.478 52.037 0.080 0.000 0.823 102 A CB 0.121 19.256 19.000 0.225 0.000 0.846 102 A HN 1.154 nan 8.150 nan 0.000 0.486 103 Y N -1.910 118.508 120.300 0.196 0.000 2.889 103 Y HA 0.389 4.939 4.550 -0.000 0.000 0.317 103 Y C 0.115 176.378 175.900 0.605 0.000 1.414 103 Y CA -1.374 57.085 58.100 0.597 0.000 1.091 103 Y CB 0.286 39.141 38.460 0.659 0.000 1.358 103 Y HN 0.446 nan 8.280 nan 0.000 0.487 104 Y N -0.921 118.648 120.300 -1.218 0.000 3.978 104 Y HA -0.175 4.375 4.550 -0.000 0.000 0.219 104 Y C -0.309 175.397 175.900 -0.323 0.000 1.153 104 Y CA -0.128 57.499 58.100 -0.788 0.000 1.718 104 Y CB -2.086 36.215 38.460 -0.264 0.000 1.541 104 Y HN 0.667 nan 8.280 nan 0.000 0.640 105 A N 0.476 123.210 122.820 -0.144 0.000 2.354 105 A HA 0.653 4.973 4.320 -0.000 0.000 0.321 105 A C -0.143 177.271 177.584 -0.284 0.000 1.125 105 A CA -0.964 51.050 52.037 -0.038 0.000 0.799 105 A CB 0.578 19.751 19.000 0.289 0.000 1.293 105 A HN 0.353 nan 8.150 nan 0.000 0.452 106 N N 0.116 118.730 118.700 -0.144 0.000 2.359 106 N HA 0.286 5.026 4.740 -0.000 0.000 0.261 106 N C 0.121 175.484 175.510 -0.244 0.000 1.267 106 N CA 0.185 53.136 53.050 -0.164 0.000 0.864 106 N CB 0.289 38.747 38.487 -0.047 0.000 1.063 106 N HN 0.392 nan 8.380 nan 0.000 0.474 107 V N 1.188 120.931 119.914 -0.284 0.000 3.438 107 V HA 0.508 4.628 4.120 -0.000 0.000 0.298 107 V C 0.005 176.174 176.094 0.124 0.000 1.148 107 V CA -0.923 61.318 62.300 -0.098 0.000 0.994 107 V CB 0.981 32.801 31.823 -0.004 0.000 1.236 107 V HN 0.460 nan 8.190 nan 0.000 0.455 108 L N 0.422 121.803 121.223 0.264 0.000 2.439 108 L HA 0.619 4.959 4.340 -0.000 0.000 0.270 108 L C -1.044 175.912 176.870 0.143 0.000 0.972 108 L CA -0.008 54.930 54.840 0.163 0.000 0.836 108 L CB 1.860 43.996 42.059 0.128 0.000 1.255 108 L HN 0.406 nan 8.230 nan 0.000 0.404 109 V N 5.887 125.882 119.914 0.135 0.000 2.304 109 V HA 0.257 4.377 4.120 -0.000 0.000 0.278 109 V C 0.218 176.447 176.094 0.224 0.000 1.018 109 V CA -0.499 61.913 62.300 0.188 0.000 0.814 109 V CB 0.664 32.675 31.823 0.313 0.000 1.021 109 V HN 0.728 nan 8.190 nan 0.000 0.440 110 Y N 4.859 125.212 120.300 0.088 0.000 2.954 110 Y HA -0.121 4.429 4.550 -0.000 0.000 0.518 110 Y C 1.868 177.879 175.900 0.185 0.000 1.438 110 Y CA 1.692 59.846 58.100 0.091 0.000 2.214 110 Y CB 0.536 39.042 38.460 0.077 0.000 1.794 110 Y HN 0.743 nan 8.280 nan 0.000 0.678 111 N N -1.104 118.138 118.700 0.904 0.000 2.332 111 N HA -0.012 4.727 4.740 -0.000 0.000 0.190 111 N C 0.159 175.942 175.510 0.455 0.000 1.117 111 N CA 0.816 54.289 53.050 0.705 0.000 0.883 111 N CB -0.291 38.749 38.487 0.923 0.000 1.089 111 N HN 0.547 nan 8.380 nan 0.000 0.480 112 D N -1.111 119.420 120.400 0.217 0.000 2.350 112 D HA 0.245 4.885 4.640 -0.000 0.000 0.213 112 D C 1.128 177.461 176.300 0.054 0.000 1.031 112 D CA 0.528 54.543 54.000 0.026 0.000 0.861 112 D CB -0.266 40.474 40.800 -0.100 0.000 0.926 112 D HN 0.380 nan 8.370 nan 0.000 0.520 113 G N -0.478 108.394 108.800 0.121 0.000 2.143 113 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.175 113 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.175 113 G C -0.001 174.880 174.900 -0.030 0.000 1.004 113 G CA -0.079 45.068 45.100 0.079 0.000 0.671 113 G HN 0.301 nan 8.290 nan 0.000 0.512 114 S N 1.485 117.170 115.700 -0.024 0.000 2.528 114 S HA 0.704 5.174 4.470 -0.000 0.000 0.277 114 S C 0.471 174.950 174.600 -0.202 0.000 1.297 114 S CA 0.061 58.194 58.200 -0.111 0.000 1.052 114 S CB 0.723 63.890 63.200 -0.055 0.000 0.917 114 S HN 0.340 nan 8.310 nan 0.000 0.492 115 M N 3.997 123.253 119.600 -0.572 0.000 2.190 115 M HA 0.381 4.861 4.480 -0.000 0.000 0.312 115 M C -0.971 175.043 176.300 -0.477 0.000 0.990 115 M CA -0.583 54.128 55.300 -0.982 0.000 0.927 115 M CB 0.602 31.625 32.600 -2.629 0.000 1.571 115 M HN 0.766 nan 8.290 nan 0.000 0.427 116 Y N 2.928 123.216 120.300 -0.019 0.000 2.391 116 Y HA 0.653 5.203 4.550 -0.000 0.000 0.341 116 Y C -1.929 174.285 175.900 0.523 0.000 0.965 116 Y CA -0.674 57.602 58.100 0.293 0.000 1.067 116 Y CB 1.797 40.359 38.460 0.170 0.000 1.199 116 Y HN 0.807 nan 8.280 nan 0.000 0.450 117 W N 8.229 129.958 121.300 0.715 0.000 3.372 117 W HA 0.568 5.228 4.660 -0.000 0.000 0.315 117 W C -2.658 174.064 176.519 0.339 0.000 1.223 117 W CA -1.663 55.977 57.345 0.492 0.000 1.202 117 W CB 1.305 30.983 29.460 0.364 0.000 1.367 117 W HN 0.514 nan 8.180 nan 0.000 0.531 118 L N 8.478 129.902 121.223 0.336 0.000 2.440 118 L HA 0.297 4.637 4.340 -0.000 0.000 0.261 118 L C -2.204 174.707 176.870 0.069 0.000 1.382 118 L CA -1.350 53.523 54.840 0.055 0.000 0.871 118 L CB 1.468 43.677 42.059 0.249 0.000 1.052 118 L HN 0.171 nan 8.230 nan 0.000 0.509 119 P HA 0.389 nan 4.420 nan 0.000 0.281 119 P C -2.886 174.431 177.300 0.028 0.000 1.249 119 P CA -1.654 61.465 63.100 0.032 0.000 0.810 119 P CB 1.019 32.733 31.700 0.023 0.000 1.008 120 P HA 0.413 nan 4.420 nan 0.000 0.292 120 P C -1.404 175.838 177.300 -0.097 0.000 1.283 120 P CA -0.584 62.487 63.100 -0.049 0.000 0.835 120 P CB 1.408 33.081 31.700 -0.044 0.000 1.017 121 A N 4.563 127.273 122.820 -0.182 0.000 2.381 121 A HA 0.652 4.971 4.320 -0.000 0.000 0.299 121 A C -0.181 177.214 177.584 -0.316 0.000 1.049 121 A CA -0.751 51.161 52.037 -0.207 0.000 0.715 121 A CB 0.972 19.891 19.000 -0.136 0.000 1.222 121 A HN 0.516 nan 8.150 nan 0.000 0.428 122 I N 1.320 121.788 120.570 -0.170 0.000 2.336 122 I HA 0.762 4.932 4.170 -0.000 0.000 0.292 122 I C -0.653 175.475 176.117 0.017 0.000 0.991 122 I CA -0.507 60.749 61.300 -0.073 0.000 1.227 122 I CB -0.152 37.828 38.000 -0.033 0.000 1.366 122 I HN 0.843 nan 8.210 nan 0.000 0.466 123 Y N 3.159 123.323 120.300 -0.227 0.000 2.689 123 Y HA 0.756 5.305 4.550 -0.000 0.000 0.333 123 Y C -1.141 174.627 175.900 -0.219 0.000 1.208 123 Y CA -1.632 56.300 58.100 -0.280 0.000 1.055 123 Y CB 1.507 39.606 38.460 -0.602 0.000 1.304 123 Y HN 0.588 nan 8.280 nan 0.000 0.455 124 R N 1.345 121.678 120.500 -0.278 0.000 2.598 124 R HA 0.778 5.118 4.340 -0.000 0.000 0.279 124 R C -1.405 174.599 176.300 -0.494 0.000 0.984 124 R CA -0.336 55.579 56.100 -0.307 0.000 0.999 124 R CB 1.803 32.011 30.300 -0.154 0.000 1.114 124 R HN 0.898 nan 8.270 nan 0.000 0.493 125 S N -0.101 115.375 115.700 -0.374 0.000 2.705 125 S HA 0.584 5.053 4.470 -0.000 0.000 0.280 125 S C -1.279 173.210 174.600 -0.185 0.000 1.174 125 S CA -0.885 57.109 58.200 -0.344 0.000 0.823 125 S CB 1.866 64.792 63.200 -0.456 0.000 1.162 125 S HN 0.440 nan 8.310 nan 0.000 0.487 126 T N 0.855 115.325 114.554 -0.139 0.000 3.135 126 T HA 0.404 4.754 4.350 -0.000 0.000 0.357 126 T C -0.541 174.111 174.700 -0.080 0.000 1.112 126 T CA -0.330 61.713 62.100 -0.095 0.000 1.290 126 T CB 0.204 69.026 68.868 -0.077 0.000 1.018 126 T HN 0.697 nan 8.240 nan 0.000 0.527 127 c N 3.211 121.762 118.600 -0.081 0.000 2.517 127 c HA 0.561 5.131 4.570 -0.000 0.000 0.357 127 c C -1.145 172.875 174.090 -0.116 0.000 1.485 127 c CA -1.697 54.582 56.329 -0.084 0.000 2.148 127 c CB 1.043 43.507 42.510 -0.076 0.000 2.019 127 c HN 0.535 nan 8.230 nan 0.000 0.576 128 P HA 0.039 nan 4.420 nan 0.000 0.259 128 P C 0.360 177.542 177.300 -0.195 0.000 1.353 128 P CA 1.219 64.194 63.100 -0.209 0.000 0.727 128 P CB -0.031 31.480 31.700 -0.315 0.000 1.300 129 I N -6.928 113.487 120.570 -0.257 0.000 5.825 129 I HA -0.193 3.977 4.170 -0.000 0.000 0.126 129 I C -0.813 175.327 176.117 0.039 0.000 1.817 129 I CA 0.185 61.472 61.300 -0.022 0.000 2.037 129 I CB -2.328 35.762 38.000 0.150 0.000 3.397 129 I HN 0.128 nan 8.210 nan 0.000 0.169 130 A N 2.601 125.420 122.820 -0.002 0.000 2.774 130 A HA 0.677 4.997 4.320 -0.000 0.000 0.326 130 A C 1.178 178.783 177.584 0.035 0.000 1.478 130 A CA 0.251 52.291 52.037 0.006 0.000 1.099 130 A CB 0.450 19.434 19.000 -0.026 0.000 1.148 130 A HN 1.597 nan 8.150 nan 0.000 0.519 131 V N 2.287 122.235 119.914 0.057 0.000 5.616 131 V HA -0.269 3.851 4.120 -0.000 0.000 0.301 131 V C 1.084 177.236 176.094 0.097 0.000 0.564 131 V CA 1.896 64.233 62.300 0.061 0.000 0.653 131 V CB -3.047 28.791 31.823 0.025 0.000 0.372 131 V HN 1.036 nan 8.190 nan 0.000 1.029 132 T N -3.322 111.331 114.554 0.166 0.000 3.520 132 T HA 0.065 4.415 4.350 -0.000 0.000 0.153 132 T C 0.820 175.734 174.700 0.357 0.000 0.781 132 T CA 0.250 62.475 62.100 0.209 0.000 0.867 132 T CB -0.188 68.766 68.868 0.145 0.000 1.024 132 T HN 0.161 nan 8.240 nan 0.000 0.273 133 Y N 0.674 121.078 120.300 0.175 0.000 2.453 133 Y HA -0.301 4.249 4.550 -0.000 0.000 0.233 133 Y C 1.064 177.134 175.900 0.283 0.000 1.244 133 Y CA 0.829 59.052 58.100 0.205 0.000 1.789 133 Y CB -0.328 38.196 38.460 0.107 0.000 0.979 133 Y HN 0.322 nan 8.280 nan 0.000 0.700 134 F N -0.090 120.014 119.950 0.255 0.000 2.653 134 F HA 0.195 4.722 4.527 -0.000 0.000 0.304 134 F C -1.510 174.498 175.800 0.347 0.000 1.092 134 F CA -1.410 56.717 58.000 0.212 0.000 1.279 134 F CB -0.022 39.078 39.000 0.166 0.000 1.044 134 F HN -0.082 nan 8.300 nan 0.000 0.564 135 P HA 0.115 nan 4.420 nan 0.000 0.343 135 P C 0.226 177.890 177.300 0.606 0.000 1.358 135 P CA 0.314 63.744 63.100 0.549 0.000 0.802 135 P CB 0.800 32.664 31.700 0.274 0.000 1.886 136 F N -1.764 118.009 119.950 -0.295 0.000 2.746 136 F HA 0.158 4.685 4.527 -0.000 0.000 0.313 136 F C 0.575 175.264 175.800 -1.853 0.000 1.095 136 F CA -0.290 57.188 58.000 -0.869 0.000 1.224 136 F CB -0.424 38.417 39.000 -0.266 0.000 1.060 136 F HN 0.110 nan 8.300 nan 0.000 0.584 137 D N -0.260 119.617 120.400 -0.873 0.000 2.198 137 D HA 0.234 4.874 4.640 -0.000 0.000 0.245 137 D C -0.791 175.179 176.300 -0.550 0.000 1.079 137 D CA -0.365 53.153 54.000 -0.802 0.000 0.854 137 D CB 0.753 41.375 40.800 -0.296 0.000 1.148 137 D HN 0.028 nan 8.370 nan 0.000 0.456 138 W N 0.404 121.796 121.300 0.153 0.000 2.606 138 W HA 0.393 5.053 4.660 -0.000 0.000 0.332 138 W C 0.496 177.167 176.519 0.254 0.000 1.052 138 W CA -1.288 56.204 57.345 0.244 0.000 1.223 138 W CB 1.010 30.586 29.460 0.194 0.000 1.383 138 W HN 0.225 nan 8.180 nan 0.000 0.524 139 Q N 2.737 122.875 119.800 0.563 0.000 2.293 139 Q HA 0.016 4.356 4.340 -0.000 0.000 0.263 139 Q C 0.132 176.086 176.000 -0.076 0.000 1.002 139 Q CA -0.163 55.687 55.803 0.077 0.000 0.910 139 Q CB 0.454 29.099 28.738 -0.156 0.000 1.185 139 Q HN 0.588 nan 8.270 nan 0.000 0.401 140 N N 3.344 122.018 118.700 -0.044 0.000 2.452 140 N HA -0.008 4.732 4.740 -0.000 0.000 0.266 140 N C -0.693 174.720 175.510 -0.160 0.000 1.175 140 N CA -0.504 52.522 53.050 -0.041 0.000 0.945 140 N CB 0.551 38.992 38.487 -0.077 0.000 1.063 140 N HN 0.591 nan 8.380 nan 0.000 0.472 141 c N 4.212 122.747 118.600 -0.108 0.000 2.624 141 c HA 0.188 4.758 4.570 -0.000 0.000 0.397 141 c C 0.682 174.792 174.090 0.034 0.000 1.331 141 c CA -0.253 56.013 56.329 -0.104 0.000 1.716 141 c CB -0.908 41.581 42.510 -0.034 0.000 2.452 141 c HN 0.669 nan 8.230 nan 0.000 0.586 142 S N 6.069 121.768 115.700 -0.001 0.000 2.528 142 S HA 0.678 5.148 4.470 -0.000 0.000 0.303 142 S C -0.833 173.842 174.600 0.124 0.000 1.123 142 S CA -0.630 57.625 58.200 0.091 0.000 1.138 142 S CB -0.321 62.848 63.200 -0.051 0.000 0.984 142 S HN 0.690 nan 8.310 nan 0.000 0.474 143 L N 5.440 126.803 121.223 0.234 0.000 2.305 143 L HA 0.643 4.983 4.340 -0.000 0.000 0.284 143 L C -0.224 176.740 176.870 0.158 0.000 1.013 143 L CA -0.934 54.015 54.840 0.180 0.000 0.819 143 L CB 1.460 43.642 42.059 0.206 0.000 1.227 143 L HN 0.392 nan 8.230 nan 0.000 0.417 144 V N 0.805 120.778 119.914 0.099 0.000 2.417 144 V HA 0.821 4.941 4.120 -0.000 0.000 0.291 144 V C -0.571 175.581 176.094 0.097 0.000 1.024 144 V CA -0.594 61.737 62.300 0.051 0.000 0.861 144 V CB 1.197 33.032 31.823 0.019 0.000 0.985 144 V HN 0.611 nan 8.190 nan 0.000 0.436 145 F N 3.889 123.733 119.950 -0.176 0.000 2.576 145 F HA 1.019 5.546 4.527 -0.000 0.000 0.313 145 F C -0.446 175.269 175.800 -0.141 0.000 1.078 145 F CA -1.131 56.809 58.000 -0.101 0.000 0.921 145 F CB 1.981 40.958 39.000 -0.038 0.000 1.232 145 F HN 0.947 nan 8.300 nan 0.000 0.459 146 R N 0.572 120.951 120.500 -0.202 0.000 2.762 146 R HA 0.644 4.984 4.340 -0.000 0.000 0.271 146 R C -1.563 174.758 176.300 0.034 0.000 1.038 146 R CA -1.038 54.853 56.100 -0.348 0.000 0.906 146 R CB 0.836 30.864 30.300 -0.454 0.000 1.259 146 R HN 0.634 nan 8.270 nan 0.000 0.457 147 S N 0.656 116.501 115.700 0.241 0.000 2.562 147 S HA 0.000 4.470 4.470 -0.000 0.000 0.281 147 S C 0.285 175.110 174.600 0.376 0.000 1.333 147 S CA -0.471 57.898 58.200 0.282 0.000 1.052 147 S CB 1.179 64.549 63.200 0.284 0.000 0.884 147 S HN 0.610 nan 8.310 nan 0.000 0.506 148 Q N 0.973 120.868 119.800 0.159 0.000 2.246 148 Q HA 0.171 4.510 4.340 -0.000 0.000 0.202 148 Q C 1.373 177.407 176.000 0.056 0.000 0.883 148 Q CA 0.345 56.231 55.803 0.138 0.000 0.952 148 Q CB 0.067 28.872 28.738 0.111 0.000 1.078 148 Q HN 0.845 nan 8.270 nan 0.000 0.493 149 T N -1.793 112.756 114.554 -0.009 0.000 3.246 149 T HA 0.211 4.561 4.350 -0.000 0.000 0.231 149 T C -0.033 174.704 174.700 0.062 0.000 0.986 149 T CA 0.274 62.382 62.100 0.014 0.000 1.340 149 T CB -0.092 68.745 68.868 -0.052 0.000 1.063 149 T HN 0.207 nan 8.240 nan 0.000 0.427 150 Y N 1.396 121.429 120.300 -0.445 0.000 2.488 150 Y HA 0.483 5.033 4.550 -0.000 0.000 0.325 150 Y C 0.092 175.335 175.900 -1.096 0.000 1.204 150 Y CA -1.676 56.113 58.100 -0.518 0.000 1.229 150 Y CB 1.060 39.347 38.460 -0.289 0.000 1.274 150 Y HN 0.298 nan 8.280 nan 0.000 0.493 151 N N 0.759 119.214 118.700 -0.409 0.000 2.392 151 N HA 0.223 4.963 4.740 -0.000 0.000 0.283 151 N C 0.406 176.023 175.510 0.178 0.000 1.003 151 N CA -0.055 52.904 53.050 -0.152 0.000 0.892 151 N CB 1.727 40.251 38.487 0.062 0.000 1.193 151 N HN 0.859 nan 8.380 nan 0.000 0.487 152 A N 1.111 124.292 122.820 0.602 0.000 2.244 152 A HA -0.299 4.021 4.320 -0.000 0.000 0.222 152 A C 1.199 178.790 177.584 0.011 0.000 1.272 152 A CA 1.593 53.796 52.037 0.277 0.000 0.709 152 A CB -1.031 17.983 19.000 0.024 0.000 0.844 152 A HN 0.730 nan 8.150 nan 0.000 0.524 153 H N -1.292 117.842 119.070 0.105 0.000 2.547 153 H HA 0.087 4.643 4.556 -0.000 0.000 0.266 153 H C 1.430 176.767 175.328 0.016 0.000 0.988 153 H CA 1.383 57.464 56.048 0.054 0.000 1.147 153 H CB 0.300 30.081 29.762 0.033 0.000 1.365 153 H HN 0.868 nan 8.280 nan 0.000 0.589 154 E N -0.627 119.637 120.200 0.105 0.000 2.489 154 E HA 0.143 4.493 4.350 -0.000 0.000 0.208 154 E C -0.018 176.605 176.600 0.037 0.000 0.814 154 E CA 0.055 56.475 56.400 0.034 0.000 1.348 154 E CB 1.193 30.913 29.700 0.034 0.000 1.334 154 E HN -0.096 nan 8.360 nan 0.000 0.672 155 V N 1.546 121.564 119.914 0.172 0.000 2.630 155 V HA 0.387 4.507 4.120 -0.000 0.000 0.305 155 V C -0.618 175.643 176.094 0.279 0.000 1.046 155 V CA -0.654 61.864 62.300 0.363 0.000 0.934 155 V CB 1.608 33.785 31.823 0.590 0.000 1.003 155 V HN 0.160 nan 8.190 nan 0.000 0.451 156 N N 2.741 121.562 118.700 0.201 0.000 2.478 156 N HA 0.532 5.272 4.740 -0.000 0.000 0.291 156 N C -1.572 173.930 175.510 -0.014 0.000 1.090 156 N CA -0.645 52.416 53.050 0.018 0.000 0.911 156 N CB 1.661 40.132 38.487 -0.027 0.000 1.546 156 N HN 0.508 nan 8.380 nan 0.000 0.500 157 L N 2.341 123.474 121.223 -0.149 0.000 2.343 157 L HA 0.467 4.807 4.340 -0.000 0.000 0.275 157 L C 0.141 176.927 176.870 -0.141 0.000 1.056 157 L CA -0.580 54.158 54.840 -0.170 0.000 0.804 157 L CB 1.610 43.476 42.059 -0.322 0.000 1.203 157 L HN 0.468 nan 8.230 nan 0.000 0.440 158 Q N 2.455 122.199 119.800 -0.092 0.000 2.495 158 Q HA 0.849 5.188 4.340 -0.000 0.000 0.283 158 Q C -0.997 174.971 176.000 -0.054 0.000 1.097 158 Q CA -0.904 54.865 55.803 -0.056 0.000 0.836 158 Q CB 2.966 31.697 28.738 -0.011 0.000 1.426 158 Q HN 0.449 nan 8.270 nan 0.000 0.459 159 L N -0.991 120.219 121.223 -0.022 0.000 2.741 159 L HA 0.481 4.821 4.340 -0.000 0.000 0.256 159 L C -0.341 176.539 176.870 0.017 0.000 1.084 159 L CA -0.486 54.357 54.840 0.005 0.000 1.021 159 L CB 1.715 43.778 42.059 0.007 0.000 1.588 159 L HN 0.972 nan 8.230 nan 0.000 0.368 160 S N -0.476 115.241 115.700 0.030 0.000 4.174 160 S HA 0.625 5.095 4.470 -0.000 0.000 0.210 160 S C -0.166 174.444 174.600 0.016 0.000 1.163 160 S CA 0.164 58.377 58.200 0.022 0.000 1.560 160 S CB 0.291 63.504 63.200 0.022 0.000 1.473 160 S HN 0.801 nan 8.310 nan 0.000 0.742 161 A N 1.298 124.124 122.820 0.010 0.000 2.567 161 A HA 0.365 4.685 4.320 -0.000 0.000 0.240 161 A C 0.366 177.941 177.584 -0.014 0.000 1.053 161 A CA 0.253 52.288 52.037 -0.003 0.000 0.755 161 A CB -0.486 18.506 19.000 -0.014 0.000 0.978 161 A HN 0.716 nan 8.150 nan 0.000 0.507 162 E N 1.077 121.263 120.200 -0.023 0.000 2.562 162 E HA 0.012 4.362 4.350 -0.000 0.000 0.214 162 E C 0.746 177.328 176.600 -0.031 0.000 0.979 162 E CA 0.319 56.683 56.400 -0.061 0.000 1.002 162 E CB 0.463 30.117 29.700 -0.075 0.000 1.048 162 E HN 0.805 nan 8.360 nan 0.000 0.488 163 E N 1.057 121.257 120.200 -0.000 0.000 2.192 163 E HA 0.085 4.435 4.350 -0.000 0.000 0.196 163 E C 1.451 178.009 176.600 -0.070 0.000 0.922 163 E CA 0.503 56.934 56.400 0.051 0.000 0.924 163 E CB -1.263 28.472 29.700 0.058 0.000 0.911 163 E HN 0.069 nan 8.360 nan 0.000 0.478 173 D N 4.496 124.852 120.400 -0.075 0.000 2.162 173 D HA 0.112 4.751 4.640 -0.000 0.000 0.203 173 D C -1.204 175.123 176.300 0.045 0.000 0.967 173 D CA 1.253 55.225 54.000 -0.047 0.000 0.840 173 D CB -0.306 40.461 40.800 -0.055 0.000 0.972 173 D HN 0.441 nan 8.370 nan 0.000 0.482 174 P HA -0.057 nan 4.420 nan 0.000 0.247 174 P C 1.034 178.416 177.300 0.137 0.000 1.225 174 P CA 0.515 63.732 63.100 0.194 0.000 0.768 174 P CB -0.278 31.514 31.700 0.153 0.000 1.020 175 E N 0.555 120.802 120.200 0.079 0.000 2.097 175 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 175 E C 0.811 177.462 176.600 0.084 0.000 1.000 175 E CA 1.145 57.587 56.400 0.070 0.000 0.804 175 E CB -0.538 29.205 29.700 0.071 0.000 0.740 175 E HN 0.068 nan 8.360 nan 0.000 0.454 176 D N -0.346 120.113 120.400 0.098 0.000 3.078 176 D HA 0.072 4.712 4.640 -0.000 0.000 0.363 176 D C -1.202 175.140 176.300 0.070 0.000 1.391 176 D CA -0.496 53.540 54.000 0.060 0.000 0.754 176 D CB -0.052 40.787 40.800 0.065 0.000 1.238 176 D HN 0.096 nan 8.370 nan 0.000 0.500 177 F N 1.669 121.587 119.950 -0.053 0.000 2.484 177 F HA 0.325 4.852 4.527 -0.000 0.000 0.360 177 F C 0.228 175.943 175.800 -0.141 0.000 1.101 177 F CA -0.138 57.818 58.000 -0.074 0.000 1.251 177 F CB 0.578 39.533 39.000 -0.076 0.000 1.132 177 F HN -0.257 nan 8.300 nan 0.000 0.570 178 T N 6.306 120.746 114.554 -0.190 0.000 2.888 178 T HA 0.084 4.434 4.350 -0.000 0.000 0.301 178 T C 1.027 175.175 174.700 -0.920 0.000 1.001 178 T CA 0.072 61.900 62.100 -0.453 0.000 1.147 178 T CB 0.627 69.362 68.868 -0.222 0.000 0.931 178 T HN 0.686 nan 8.240 nan 0.000 0.541 179 E N 2.379 122.182 120.200 -0.661 0.000 2.427 179 E HA -0.048 4.302 4.350 -0.000 0.000 0.196 179 E C 1.163 177.492 176.600 -0.452 0.000 1.028 179 E CA 0.692 56.727 56.400 -0.608 0.000 0.864 179 E CB -0.178 29.289 29.700 -0.388 0.000 0.813 179 E HN 0.434 nan 8.360 nan 0.000 0.514 180 N N 0.428 118.896 118.700 -0.386 0.000 2.276 180 N HA 0.160 4.900 4.740 -0.000 0.000 0.212 180 N C -0.214 175.104 175.510 -0.321 0.000 1.127 180 N CA 0.267 53.153 53.050 -0.275 0.000 0.834 180 N CB 0.464 38.845 38.487 -0.177 0.000 1.014 180 N HN 0.256 nan 8.380 nan 0.000 0.491 181 G N -0.283 108.150 108.800 -0.611 0.000 2.444 181 G HA2 0.083 4.042 3.960 -0.000 0.000 0.268 181 G HA3 0.083 4.042 3.960 -0.000 0.000 0.268 181 G C 0.415 175.018 174.900 -0.495 0.000 1.203 181 G CA -0.358 44.077 45.100 -1.107 0.000 0.835 181 G HN 0.238 nan 8.290 nan 0.000 0.543 182 E N 0.752 121.028 120.200 0.127 0.000 2.416 182 E HA 0.077 4.427 4.350 -0.000 0.000 0.189 182 E C -0.011 176.801 176.600 0.354 0.000 1.091 182 E CA 0.062 56.653 56.400 0.318 0.000 0.889 182 E CB -0.191 29.744 29.700 0.392 0.000 1.015 182 E HN 0.680 nan 8.360 nan 0.000 0.479 183 W N -0.793 120.501 121.300 -0.011 0.000 3.483 183 W HA 0.642 5.302 4.660 -0.000 0.000 0.378 183 W C -0.536 175.964 176.519 -0.031 0.000 1.097 183 W CA -0.917 56.333 57.345 -0.158 0.000 1.075 183 W CB 0.586 29.872 29.460 -0.291 0.000 1.534 183 W HN -0.215 nan 8.180 nan 0.000 0.610 184 T N -0.269 114.191 114.554 -0.157 0.000 2.957 184 T HA 0.547 4.897 4.350 -0.000 0.000 0.336 184 T C -1.784 172.529 174.700 -0.645 0.000 1.462 184 T CA -0.651 61.241 62.100 -0.346 0.000 1.073 184 T CB 0.883 69.651 68.868 -0.166 0.000 1.319 184 T HN 0.581 nan 8.240 nan 0.000 0.485 185 I N 3.122 123.244 120.570 -0.746 0.000 2.562 185 I HA 0.589 4.758 4.170 -0.000 0.000 0.301 185 I C 1.188 177.178 176.117 -0.212 0.000 1.003 185 I CA -0.977 60.039 61.300 -0.473 0.000 1.127 185 I CB 2.139 39.857 38.000 -0.470 0.000 1.304 185 I HN 0.696 nan 8.210 nan 0.000 0.446 186 R N 1.692 122.124 120.500 -0.114 0.000 2.487 186 R HA 0.250 4.590 4.340 -0.000 0.000 0.272 186 R C -0.347 176.042 176.300 0.148 0.000 0.928 186 R CA -0.081 56.030 56.100 0.017 0.000 1.077 186 R CB 0.738 31.069 30.300 0.051 0.000 1.265 186 R HN 0.551 nan 8.270 nan 0.000 0.537 187 H N -0.311 118.767 119.070 0.014 0.000 3.081 187 H HA 0.253 4.808 4.556 -0.000 0.000 0.322 187 H C -1.784 173.573 175.328 0.048 0.000 1.266 187 H CA -0.677 55.398 56.048 0.045 0.000 1.279 187 H CB 1.891 31.706 29.762 0.087 0.000 1.954 187 H HN -0.127 nan 8.280 nan 0.000 0.530 188 R N 4.371 124.880 120.500 0.015 0.000 2.507 188 R HA 0.463 4.802 4.340 -0.000 0.000 0.298 188 R C -3.271 173.043 176.300 0.025 0.000 1.087 188 R CA -1.549 54.582 56.100 0.051 0.000 0.917 188 R CB 1.421 31.669 30.300 -0.087 0.000 1.173 188 R HN 0.292 nan 8.270 nan 0.000 0.472 189 P HA 0.601 nan 4.420 nan 0.000 0.296 189 P C -1.741 175.324 177.300 -0.391 0.000 1.310 189 P CA -0.807 62.215 63.100 -0.130 0.000 0.900 189 P CB 2.301 33.901 31.700 -0.166 0.000 1.111 190 A N 1.868 124.508 122.820 -0.300 0.000 2.437 190 A HA 0.703 5.023 4.320 -0.000 0.000 0.293 190 A C -1.090 176.422 177.584 -0.119 0.000 1.038 190 A CA -0.534 51.419 52.037 -0.140 0.000 0.708 190 A CB 0.988 20.073 19.000 0.141 0.000 1.251 190 A HN 0.305 nan 8.150 nan 0.000 0.409 191 K N 1.163 121.505 120.400 -0.096 0.000 2.259 191 K HA 0.478 4.798 4.320 -0.000 0.000 0.249 191 K C -0.414 176.184 176.600 -0.004 0.000 0.942 191 K CA -0.582 55.685 56.287 -0.035 0.000 0.816 191 K CB 1.892 34.386 32.500 -0.009 0.000 1.155 191 K HN 0.607 nan 8.250 nan 0.000 0.428 192 K N 3.105 123.500 120.400 -0.008 0.000 2.211 192 K HA 0.325 4.645 4.320 -0.000 0.000 0.275 192 K C -0.912 175.682 176.600 -0.010 0.000 1.024 192 K CA -0.246 56.013 56.287 -0.047 0.000 0.887 192 K CB 0.515 32.987 32.500 -0.047 0.000 1.084 192 K HN 0.623 nan 8.250 nan 0.000 0.463 193 N N 2.286 120.958 118.700 -0.046 0.000 2.853 193 N HA 0.275 5.015 4.740 -0.000 0.000 0.258 193 N C -1.215 174.290 175.510 -0.008 0.000 1.444 193 N CA -0.514 52.573 53.050 0.061 0.000 0.837 193 N CB 0.573 39.122 38.487 0.102 0.000 1.489 193 N HN 0.326 nan 8.380 nan 0.000 0.529 194 Y N 0.622 120.919 120.300 -0.005 0.000 2.340 194 Y HA 0.256 4.806 4.550 -0.000 0.000 0.327 194 Y C 1.119 177.048 175.900 0.049 0.000 1.321 194 Y CA -0.486 57.621 58.100 0.011 0.000 1.433 194 Y CB 0.592 39.083 38.460 0.052 0.000 1.373 194 Y HN 0.399 nan 8.280 nan 0.000 0.538 195 N N 0.874 119.724 118.700 0.249 0.000 2.444 195 N HA 0.258 4.998 4.740 -0.000 0.000 0.262 195 N C -2.101 173.610 175.510 0.335 0.000 0.974 195 N CA -0.296 52.883 53.050 0.216 0.000 0.933 195 N CB 0.818 39.414 38.487 0.182 0.000 1.137 195 N HN 0.706 nan 8.380 nan 0.000 0.498 196 W N 5.483 126.833 121.300 0.084 0.000 3.662 196 W HA 0.225 4.885 4.660 -0.000 0.000 0.308 196 W C -1.942 174.607 176.519 0.051 0.000 1.128 196 W CA -0.497 56.888 57.345 0.067 0.000 1.305 196 W CB -0.061 29.435 29.460 0.060 0.000 1.097 196 W HN 0.517 nan 8.180 nan 0.000 0.393 197 Q N 3.769 123.471 119.800 -0.163 0.000 2.385 197 Q HA 0.412 4.752 4.340 -0.000 0.000 0.262 197 Q C 0.834 176.655 176.000 -0.298 0.000 1.050 197 Q CA -0.769 54.859 55.803 -0.291 0.000 0.903 197 Q CB 1.960 30.640 28.738 -0.098 0.000 1.325 197 Q HN 0.716 nan 8.270 nan 0.000 0.485 198 L N 0.465 121.551 121.223 -0.228 0.000 2.081 198 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 198 L C 1.816 178.662 176.870 -0.040 0.000 1.080 198 L CA 1.724 56.483 54.840 -0.137 0.000 0.754 198 L CB -0.280 41.719 42.059 -0.099 0.000 0.893 198 L HN 0.778 nan 8.230 nan 0.000 0.433 199 T N -1.077 113.465 114.554 -0.021 0.000 3.098 199 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 199 T C 0.891 175.628 174.700 0.061 0.000 1.145 199 T CA 0.568 62.680 62.100 0.020 0.000 1.092 199 T CB -0.085 68.795 68.868 0.019 0.000 0.908 199 T HN 0.139 nan 8.240 nan 0.000 0.526 200 K N 2.254 122.717 120.400 0.105 0.000 3.224 200 K HA -0.117 4.203 4.320 -0.000 0.000 0.270 200 K C -1.575 175.123 176.600 0.163 0.000 1.165 200 K CA 0.131 56.522 56.287 0.173 0.000 0.801 200 K CB -2.241 30.335 32.500 0.127 0.000 1.286 200 K HN 0.377 nan 8.250 nan 0.000 0.500 201 D N 0.665 121.177 120.400 0.187 0.000 2.175 201 D HA 0.302 4.941 4.640 -0.000 0.000 0.248 201 D C -0.036 176.388 176.300 0.206 0.000 1.047 201 D CA -0.370 53.726 54.000 0.160 0.000 0.883 201 D CB 1.381 42.265 40.800 0.139 0.000 1.180 201 D HN 0.342 nan 8.370 nan 0.000 0.438 202 D N 0.454 120.945 120.400 0.150 0.000 2.689 202 D HA 0.412 5.052 4.640 -0.000 0.000 0.255 202 D C 0.040 176.434 176.300 0.156 0.000 1.113 202 D CA -0.715 53.371 54.000 0.144 0.000 1.115 202 D CB 2.056 42.905 40.800 0.082 0.000 1.334 202 D HN 0.407 nan 8.370 nan 0.000 0.621 203 I N 1.250 121.929 120.570 0.182 0.000 8.032 203 I HA -0.230 3.940 4.170 -0.000 0.000 0.126 203 I C -1.108 175.162 176.117 0.254 0.000 1.845 203 I CA 0.008 61.469 61.300 0.268 0.000 2.048 203 I CB -0.798 37.313 38.000 0.185 0.000 3.748 203 I HN 0.258 nan 8.210 nan 0.000 0.173 204 D N 7.038 127.585 120.400 0.244 0.000 2.308 204 D HA 0.406 5.046 4.640 -0.000 0.000 0.251 204 D C -0.348 176.078 176.300 0.209 0.000 1.127 204 D CA 0.016 54.151 54.000 0.224 0.000 0.876 204 D CB 1.372 42.343 40.800 0.285 0.000 1.176 204 D HN 0.275 nan 8.370 nan 0.000 0.446 205 F N 2.095 122.064 119.950 0.031 0.000 2.402 205 F HA 0.196 4.723 4.527 -0.000 0.000 0.355 205 F C 0.321 176.085 175.800 -0.060 0.000 1.123 205 F CA -0.920 57.070 58.000 -0.017 0.000 1.021 205 F CB 0.790 39.803 39.000 0.021 0.000 1.160 205 F HN 0.148 nan 8.300 nan 0.000 0.451 206 Q N 4.640 124.109 119.800 -0.552 0.000 2.474 206 Q HA 0.217 4.557 4.340 -0.000 0.000 0.256 206 Q C -0.210 175.322 176.000 -0.780 0.000 1.048 206 Q CA 0.261 55.709 55.803 -0.590 0.000 0.922 206 Q CB 1.085 29.482 28.738 -0.568 0.000 1.288 206 Q HN 0.793 nan 8.270 nan 0.000 0.484 207 E N 0.460 120.368 120.200 -0.487 0.000 2.442 207 E HA 0.624 4.973 4.350 -0.000 0.000 0.261 207 E C -1.057 175.301 176.600 -0.403 0.000 0.935 207 E CA -0.907 55.211 56.400 -0.469 0.000 0.856 207 E CB 0.981 30.512 29.700 -0.281 0.000 1.571 207 E HN 0.423 nan 8.360 nan 0.000 0.431 208 I N 1.456 121.763 120.570 -0.438 0.000 2.466 208 I HA 0.296 4.466 4.170 -0.000 0.000 0.279 208 I C -0.768 175.251 176.117 -0.164 0.000 1.033 208 I CA -0.905 60.172 61.300 -0.371 0.000 1.123 208 I CB 1.371 38.904 38.000 -0.778 0.000 1.237 208 I HN 0.467 nan 8.210 nan 0.000 0.460 209 I N 6.328 126.900 120.570 0.003 0.000 2.496 209 I HA 0.255 4.425 4.170 -0.000 0.000 0.285 209 I C -1.029 175.327 176.117 0.398 0.000 1.080 209 I CA 0.399 61.809 61.300 0.183 0.000 1.404 209 I CB 0.127 38.283 38.000 0.259 0.000 1.403 209 I HN 0.376 nan 8.210 nan 0.000 0.539 210 F N 8.401 128.500 119.950 0.247 0.000 2.451 210 F HA 0.383 4.910 4.527 -0.000 0.000 0.367 210 F C -0.338 175.668 175.800 0.344 0.000 1.100 210 F CA -0.857 57.277 58.000 0.224 0.000 1.171 210 F CB 0.549 39.666 39.000 0.195 0.000 1.405 210 F HN 0.289 nan 8.300 nan 0.000 0.482 211 F N 3.787 123.863 119.950 0.210 0.000 2.418 211 F HA 0.335 4.862 4.527 -0.000 0.000 0.341 211 F C -0.218 175.638 175.800 0.094 0.000 1.120 211 F CA -0.920 57.159 58.000 0.132 0.000 1.232 211 F CB 1.133 40.209 39.000 0.127 0.000 1.175 211 F HN 0.137 nan 8.300 nan 0.000 0.569 212 L N 5.063 126.447 121.223 0.267 0.000 2.457 212 L HA 0.302 4.642 4.340 -0.000 0.000 0.259 212 L C -0.340 176.641 176.870 0.184 0.000 1.377 212 L CA 0.126 55.069 54.840 0.171 0.000 0.887 212 L CB 0.992 43.118 42.059 0.111 0.000 1.085 212 L HN 0.536 nan 8.230 nan 0.000 0.509 213 I N 3.705 124.404 120.570 0.214 0.000 2.347 213 I HA 0.360 4.529 4.170 -0.000 0.000 0.294 213 I C -0.401 175.791 176.117 0.125 0.000 1.090 213 I CA -0.300 61.160 61.300 0.266 0.000 1.314 213 I CB 0.450 38.626 38.000 0.294 0.000 1.423 213 I HN 0.528 nan 8.210 nan 0.000 0.503 214 I N 5.251 125.854 120.570 0.055 0.000 2.846 214 I HA 0.517 4.687 4.170 -0.000 0.000 0.307 214 I C -0.634 174.854 176.117 -1.050 0.000 1.053 214 I CA -0.550 60.503 61.300 -0.412 0.000 1.050 214 I CB 1.754 39.588 38.000 -0.276 0.000 1.239 214 I HN 0.646 nan 8.210 nan 0.000 0.439 215 Q N 3.776 122.700 119.800 -1.461 0.000 2.204 215 Q HA 0.726 5.066 4.340 -0.000 0.000 0.254 215 Q C -0.808 174.633 176.000 -0.932 0.000 0.981 215 Q CA -0.649 53.841 55.803 -2.188 0.000 0.897 215 Q CB 1.591 29.068 28.738 -2.102 0.000 1.273 215 Q HN 0.854 nan 8.270 nan 0.000 0.464 216 R N 0.018 120.095 120.500 -0.705 0.000 3.712 216 R HA 0.240 4.580 4.340 -0.000 0.000 0.250 216 R C -0.966 175.131 176.300 -0.338 0.000 1.123 216 R CA -0.131 55.771 56.100 -0.331 0.000 0.904 216 R CB 0.345 30.470 30.300 -0.293 0.000 1.585 216 R HN 0.803 nan 8.270 nan 0.000 0.418 217 K N -0.362 119.847 120.400 -0.320 0.000 3.339 217 K HA -0.065 4.255 4.320 -0.000 0.000 0.299 217 K C -2.466 173.974 176.600 -0.267 0.000 1.270 217 K CA 0.863 56.960 56.287 -0.317 0.000 0.875 217 K CB -1.975 30.245 32.500 -0.467 0.000 1.298 217 K HN 0.326 nan 8.250 nan 0.000 0.485 218 P HA 0.104 nan 4.420 nan 0.000 0.256 218 P C -0.158 176.774 177.300 -0.615 0.000 1.688 218 P CA -0.078 62.805 63.100 -0.362 0.000 1.162 218 P CB 0.180 31.725 31.700 -0.258 0.000 1.870 219 L N 2.422 123.304 121.223 -0.568 0.000 2.540 219 L HA 0.010 4.349 4.340 -0.000 0.000 0.276 219 L C 1.363 177.651 176.870 -0.969 0.000 1.212 219 L CA 0.474 54.859 54.840 -0.758 0.000 0.893 219 L CB -0.392 41.447 42.059 -0.368 0.000 1.138 219 L HN 0.247 nan 8.230 nan 0.000 0.491 220 F N 0.127 119.570 119.950 -0.846 0.000 2.711 220 F HA 0.065 4.592 4.527 -0.000 0.000 0.296 220 F C 1.528 177.176 175.800 -0.254 0.000 1.096 220 F CA -0.196 57.550 58.000 -0.424 0.000 1.280 220 F CB -0.045 38.792 39.000 -0.272 0.000 1.060 220 F HN 0.407 nan 8.300 nan 0.000 0.608 221 Y N -0.428 119.990 120.300 0.197 0.000 2.519 221 Y HA 0.069 4.619 4.550 -0.000 0.000 0.287 221 Y C 2.292 178.242 175.900 0.084 0.000 1.128 221 Y CA 0.078 58.254 58.100 0.126 0.000 1.282 221 Y CB -0.992 37.542 38.460 0.124 0.000 1.027 221 Y HN 0.136 nan 8.280 nan 0.000 0.551 222 I N 1.079 121.680 120.570 0.051 0.000 2.068 222 I HA -0.348 3.822 4.170 -0.000 0.000 0.238 222 I C 1.950 178.100 176.117 0.055 0.000 1.046 222 I CA 2.088 63.420 61.300 0.054 0.000 1.306 222 I CB -0.140 37.832 38.000 -0.047 0.000 1.023 222 I HN 0.255 nan 8.210 nan 0.000 0.399 223 I N 0.888 121.470 120.570 0.021 0.000 3.059 223 I HA -0.165 4.005 4.170 -0.000 0.000 0.270 223 I C 1.873 178.018 176.117 0.047 0.000 1.238 223 I CA 0.481 61.796 61.300 0.026 0.000 1.478 223 I CB -0.674 37.328 38.000 0.005 0.000 1.097 223 I HN 0.408 nan 8.210 nan 0.000 0.455 224 N N 1.401 120.144 118.700 0.072 0.000 2.381 224 N HA -0.135 4.605 4.740 -0.000 0.000 0.182 224 N C 1.569 177.126 175.510 0.078 0.000 1.025 224 N CA 1.211 54.309 53.050 0.079 0.000 0.888 224 N CB 0.167 38.719 38.487 0.110 0.000 0.965 224 N HN 0.174 nan 8.380 nan 0.000 0.438 225 I N 0.188 120.814 120.570 0.093 0.000 2.927 225 I HA 0.073 4.242 4.170 -0.000 0.000 0.268 225 I C 1.873 178.030 176.117 0.066 0.000 1.153 225 I CA 0.321 61.674 61.300 0.089 0.000 1.459 225 I CB -0.420 37.653 38.000 0.122 0.000 1.149 225 I HN 0.076 nan 8.210 nan 0.000 0.443 226 I N 0.642 121.246 120.570 0.056 0.000 2.353 226 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 226 I C 2.524 178.657 176.117 0.028 0.000 1.119 226 I CA 1.130 62.452 61.300 0.037 0.000 1.417 226 I CB -0.359 37.657 38.000 0.027 0.000 1.078 226 I HN 0.057 nan 8.210 nan 0.000 0.421 227 A N 1.452 124.290 122.820 0.030 0.000 1.935 227 A HA 0.046 4.366 4.320 -0.000 0.000 0.214 227 A C 0.024 177.625 177.584 0.030 0.000 1.178 227 A CA 0.629 52.680 52.037 0.025 0.000 0.640 227 A CB -1.555 17.459 19.000 0.023 0.000 0.825 227 A HN 0.253 nan 8.150 nan 0.000 0.447 228 P HA -0.137 nan 4.420 nan 0.000 0.216 228 P C 1.827 179.156 177.300 0.047 0.000 1.153 228 P CA 1.363 64.491 63.100 0.048 0.000 0.844 228 P CB -0.346 31.385 31.700 0.053 0.000 0.787 229 C N -0.059 119.266 119.300 0.042 0.000 2.429 229 C HA -0.075 4.385 4.460 -0.000 0.000 0.277 229 C C 2.835 177.838 174.990 0.021 0.000 1.262 229 C CA 0.810 59.849 59.018 0.034 0.000 1.733 229 C CB -1.543 26.216 27.740 0.031 0.000 2.010 229 C HN 0.045 nan 8.230 nan 0.000 0.483 230 V N 2.020 121.944 119.914 0.017 0.000 2.307 230 V HA -0.179 3.941 4.120 -0.000 0.000 0.245 230 V C 2.409 178.507 176.094 0.006 0.000 1.045 230 V CA 2.098 64.403 62.300 0.008 0.000 1.024 230 V CB -1.124 30.703 31.823 0.006 0.000 0.651 230 V HN 0.705 nan 8.190 nan 0.000 0.449 231 L N -0.504 120.728 121.223 0.014 0.000 2.042 231 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 231 L C 2.316 179.191 176.870 0.009 0.000 1.076 231 L CA 2.015 56.864 54.840 0.015 0.000 0.749 231 L CB -0.630 41.449 42.059 0.033 0.000 0.893 231 L HN 0.117 nan 8.230 nan 0.000 0.432 232 I N 0.511 121.093 120.570 0.019 0.000 2.202 232 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 232 I C 2.813 178.910 176.117 -0.034 0.000 1.091 232 I CA 1.745 63.049 61.300 0.007 0.000 1.368 232 I CB -0.959 37.061 38.000 0.034 0.000 1.058 232 I HN 0.681 nan 8.210 nan 0.000 0.410 233 S N 0.680 116.368 115.700 -0.020 0.000 2.348 233 S HA -0.193 4.276 4.470 -0.000 0.000 0.221 233 S C 2.252 176.812 174.600 -0.067 0.000 1.033 233 S CA 1.774 59.956 58.200 -0.030 0.000 1.010 233 S CB -1.048 62.156 63.200 0.006 0.000 0.891 233 S HN 0.567 nan 8.310 nan 0.000 0.442 234 S N 3.010 118.684 115.700 -0.045 0.000 2.370 234 S HA -0.107 4.363 4.470 -0.000 0.000 0.226 234 S C 1.912 176.463 174.600 -0.083 0.000 1.033 234 S CA 1.186 59.353 58.200 -0.054 0.000 1.011 234 S CB -1.088 62.091 63.200 -0.035 0.000 0.852 234 S HN 0.446 nan 8.310 nan 0.000 0.457 235 L N 3.183 124.359 121.223 -0.078 0.000 1.990 235 L HA -0.073 4.267 4.340 -0.000 0.000 0.213 235 L C 2.577 179.341 176.870 -0.177 0.000 1.072 235 L CA 2.364 57.148 54.840 -0.094 0.000 0.755 235 L CB -1.387 40.627 42.059 -0.075 0.000 0.889 235 L HN 0.424 nan 8.230 nan 0.000 0.432 236 V N -3.247 116.505 119.914 -0.269 0.000 2.515 236 V HA -0.130 3.990 4.120 -0.000 0.000 0.250 236 V C 2.302 177.860 176.094 -0.893 0.000 1.058 236 V CA 1.512 63.472 62.300 -0.567 0.000 1.064 236 V CB -1.438 30.029 31.823 -0.593 0.000 0.675 236 V HN 0.265 nan 8.190 nan 0.000 0.461 237 V N 0.473 120.109 119.914 -0.464 0.000 2.970 237 V HA -0.095 4.025 4.120 -0.000 0.000 0.260 237 V C 2.469 178.581 176.094 0.031 0.000 1.100 237 V CA 1.447 63.678 62.300 -0.115 0.000 1.122 237 V CB -0.831 31.027 31.823 0.058 0.000 0.721 237 V HN 0.467 nan 8.190 nan 0.000 0.483 238 L N 0.076 121.258 121.223 -0.067 0.000 1.988 238 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 238 L C 2.579 179.472 176.870 0.039 0.000 1.071 238 L CA 1.372 56.216 54.840 0.007 0.000 0.744 238 L CB -0.964 41.078 42.059 -0.027 0.000 0.893 238 L HN 0.249 nan 8.230 nan 0.000 0.433 239 V N -0.937 118.939 119.914 -0.064 0.000 2.363 239 V HA -0.366 3.754 4.120 -0.000 0.000 0.254 239 V C 2.135 178.371 176.094 0.236 0.000 1.074 239 V CA 2.043 64.351 62.300 0.014 0.000 1.069 239 V CB -1.251 30.528 31.823 -0.073 0.000 0.659 239 V HN 0.383 nan 8.190 nan 0.000 0.455 240 Y N -1.866 118.506 120.300 0.120 0.000 2.177 240 Y HA 0.009 4.559 4.550 -0.000 0.000 0.291 240 Y C 2.371 178.351 175.900 0.133 0.000 1.117 240 Y CA 1.004 59.183 58.100 0.131 0.000 1.114 240 Y CB -0.246 38.328 38.460 0.190 0.000 1.017 240 Y HN 0.178 nan 8.280 nan 0.000 0.505 241 F N -0.094 119.964 119.950 0.180 0.000 2.473 241 F HA -0.050 4.476 4.527 -0.000 0.000 0.294 241 F C 2.095 177.931 175.800 0.060 0.000 1.103 241 F CA 0.290 58.349 58.000 0.098 0.000 1.442 241 F CB -0.471 38.577 39.000 0.079 0.000 1.097 241 F HN -0.031 nan 8.300 nan 0.000 0.547 242 L N 1.234 122.602 121.223 0.241 0.000 2.127 242 L HA -0.047 4.293 4.340 -0.000 0.000 0.211 242 L C -0.872 176.057 176.870 0.099 0.000 1.089 242 L CA 1.707 56.628 54.840 0.135 0.000 0.757 242 L CB -2.544 39.568 42.059 0.087 0.000 0.899 242 L HN -0.099 nan 8.230 nan 0.000 0.434 243 P HA -0.195 nan 4.420 nan 0.000 0.216 243 P C 1.620 178.936 177.300 0.027 0.000 1.153 243 P CA 2.229 65.359 63.100 0.050 0.000 0.848 243 P CB -0.110 31.615 31.700 0.043 0.000 0.787 244 A N 0.213 123.046 122.820 0.022 0.000 1.933 244 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 244 A C 2.342 179.942 177.584 0.027 0.000 1.175 244 A CA 1.727 53.765 52.037 0.001 0.000 0.628 244 A CB -1.272 17.714 19.000 -0.023 0.000 0.814 244 A HN 0.263 nan 8.150 nan 0.000 0.444 245 Q N -0.152 119.682 119.800 0.058 0.000 2.062 245 Q HA 0.245 4.585 4.340 -0.000 0.000 0.196 245 Q C 1.279 177.301 176.000 0.036 0.000 0.967 245 Q CA 0.407 56.241 55.803 0.052 0.000 0.832 245 Q CB -0.411 28.370 28.738 0.070 0.000 0.899 245 Q HN 0.604 nan 8.270 nan 0.000 0.442 246 A N 1.306 124.150 122.820 0.039 0.000 2.520 246 A HA 0.386 4.706 4.320 -0.000 0.000 0.235 246 A C 0.748 178.346 177.584 0.023 0.000 1.065 246 A CA 0.338 52.394 52.037 0.032 0.000 0.764 246 A CB -0.102 18.920 19.000 0.037 0.000 1.002 246 A HN 0.298 nan 8.150 nan 0.000 0.502 247 G N 0.267 109.081 108.800 0.023 0.000 2.525 247 G HA2 0.384 4.344 3.960 -0.000 0.000 0.276 247 G HA3 0.384 4.344 3.960 -0.000 0.000 0.276 247 G C 1.144 176.060 174.900 0.027 0.000 1.388 247 G CA 0.127 45.240 45.100 0.021 0.000 1.050 247 G HN 1.195 nan 8.290 nan 0.000 0.520 248 G N -0.642 108.178 108.800 0.033 0.000 2.403 248 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.216 248 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.216 248 G C 1.458 176.406 174.900 0.079 0.000 1.154 248 G CA 1.107 46.239 45.100 0.054 0.000 0.784 248 G HN 0.637 nan 8.290 nan 0.000 0.538 249 Q N 0.683 120.519 119.800 0.059 0.000 2.362 249 Q HA 0.221 4.561 4.340 -0.000 0.000 0.215 249 Q C 1.282 177.316 176.000 0.056 0.000 0.944 249 Q CA 0.485 56.322 55.803 0.057 0.000 0.964 249 Q CB 0.170 28.930 28.738 0.037 0.000 0.998 249 Q HN 0.231 nan 8.270 nan 0.000 0.488 250 K N -0.297 120.141 120.400 0.064 0.000 2.391 250 K HA 0.095 4.415 4.320 -0.000 0.000 0.197 250 K C 1.741 178.380 176.600 0.065 0.000 1.087 250 K CA 0.753 57.072 56.287 0.054 0.000 1.012 250 K CB -0.221 32.304 32.500 0.041 0.000 0.925 250 K HN 0.474 nan 8.250 nan 0.000 0.547 251 C N 0.889 120.246 119.300 0.095 0.000 2.393 251 C HA -0.163 4.297 4.460 -0.000 0.000 0.276 251 C C 2.773 177.826 174.990 0.105 0.000 1.215 251 C CA 1.724 60.808 59.018 0.110 0.000 1.743 251 C CB -1.390 26.494 27.740 0.242 0.000 2.044 251 C HN 0.515 nan 8.230 nan 0.000 0.464 252 T N 0.619 115.235 114.554 0.104 0.000 2.951 252 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 252 T C 1.687 176.414 174.700 0.046 0.000 1.073 252 T CA 1.380 63.519 62.100 0.066 0.000 1.134 252 T CB -0.640 68.255 68.868 0.045 0.000 0.884 252 T HN 0.730 nan 8.240 nan 0.000 0.479 253 L N 1.143 122.395 121.223 0.047 0.000 1.989 253 L HA 0.059 4.399 4.340 -0.000 0.000 0.211 253 L C 2.559 179.444 176.870 0.025 0.000 1.071 253 L CA 2.640 57.500 54.840 0.032 0.000 0.749 253 L CB -1.542 40.537 42.059 0.034 0.000 0.890 253 L HN 0.232 nan 8.230 nan 0.000 0.431 254 S N -0.529 115.193 115.700 0.037 0.000 2.374 254 S HA -0.148 4.322 4.470 -0.000 0.000 0.227 254 S C 1.990 176.605 174.600 0.025 0.000 1.037 254 S CA 1.587 59.809 58.200 0.036 0.000 1.024 254 S CB -0.440 62.796 63.200 0.060 0.000 0.861 254 S HN 0.485 nan 8.310 nan 0.000 0.456 255 I N 2.034 122.624 120.570 0.034 0.000 2.142 255 I HA -0.125 4.045 4.170 -0.000 0.000 0.240 255 I C 2.788 178.907 176.117 0.003 0.000 1.078 255 I CA 1.808 63.124 61.300 0.026 0.000 1.343 255 I CB -2.012 36.009 38.000 0.035 0.000 1.046 255 I HN 0.497 nan 8.210 nan 0.000 0.405 256 S N 1.051 116.752 115.700 0.003 0.000 2.407 256 S HA -0.174 4.296 4.470 -0.000 0.000 0.235 256 S C 2.044 176.613 174.600 -0.050 0.000 1.036 256 S CA 1.867 60.059 58.200 -0.013 0.000 1.013 256 S CB -1.047 62.151 63.200 -0.004 0.000 0.820 256 S HN 0.255 nan 8.310 nan 0.000 0.476 257 V N 1.912 121.793 119.914 -0.055 0.000 2.323 257 V HA -0.063 4.057 4.120 -0.000 0.000 0.244 257 V C 2.507 178.524 176.094 -0.130 0.000 1.041 257 V CA 1.599 63.834 62.300 -0.108 0.000 1.025 257 V CB -1.138 30.633 31.823 -0.087 0.000 0.656 257 V HN 0.558 nan 8.190 nan 0.000 0.451 258 L N -0.054 121.130 121.223 -0.065 0.000 2.013 258 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 258 L C 2.315 179.144 176.870 -0.068 0.000 1.073 258 L CA 2.023 56.835 54.840 -0.047 0.000 0.753 258 L CB -0.488 41.573 42.059 0.004 0.000 0.890 258 L HN 0.192 nan 8.230 nan 0.000 0.432 259 L N -0.451 120.740 121.223 -0.053 0.000 2.012 259 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 259 L C 2.793 179.605 176.870 -0.097 0.000 1.073 259 L CA 1.537 56.353 54.840 -0.039 0.000 0.748 259 L CB -1.207 40.845 42.059 -0.012 0.000 0.891 259 L HN 0.485 nan 8.230 nan 0.000 0.431 260 A N 0.124 122.821 122.820 -0.204 0.000 1.877 260 A HA -0.293 4.027 4.320 -0.000 0.000 0.216 260 A C 2.206 179.218 177.584 -0.953 0.000 1.186 260 A CA 1.878 53.611 52.037 -0.507 0.000 0.620 260 A CB -0.640 18.064 19.000 -0.493 0.000 0.822 260 A HN 0.524 nan 8.150 nan 0.000 0.443 261 Q N -0.389 119.072 119.800 -0.566 0.000 2.112 261 Q HA -0.169 4.171 4.340 -0.000 0.000 0.206 261 Q C 1.644 177.552 176.000 -0.153 0.000 0.987 261 Q CA 2.845 58.420 55.803 -0.379 0.000 0.858 261 Q CB -0.879 27.751 28.738 -0.181 0.000 0.905 261 Q HN 0.446 nan 8.270 nan 0.000 0.420 262 T N 0.309 114.825 114.554 -0.063 0.000 3.057 262 T HA 0.210 4.560 4.350 -0.000 0.000 0.254 262 T C 1.598 176.387 174.700 0.150 0.000 1.094 262 T CA 0.300 62.440 62.100 0.067 0.000 1.088 262 T CB -0.053 68.863 68.868 0.079 0.000 0.934 262 T HN 0.248 nan 8.240 nan 0.000 0.497 263 I N 0.737 121.398 120.570 0.151 0.000 2.208 263 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 263 I C 1.830 178.166 176.117 0.365 0.000 1.097 263 I CA 1.760 63.222 61.300 0.271 0.000 1.363 263 I CB -0.221 38.007 38.000 0.380 0.000 1.051 263 I HN 0.327 nan 8.210 nan 0.000 0.413 264 F N 0.120 120.075 119.950 0.009 0.000 2.146 264 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 264 F C 2.413 178.199 175.800 -0.023 0.000 1.096 264 F CA 0.412 58.403 58.000 -0.014 0.000 1.275 264 F CB -0.263 38.735 39.000 -0.003 0.000 1.008 264 F HN -0.007 nan 8.300 nan 0.000 0.480 265 L N -0.131 121.228 121.223 0.227 0.000 1.933 265 L HA -0.309 4.031 4.340 -0.000 0.000 0.220 265 L C 2.461 179.407 176.870 0.127 0.000 1.078 265 L CA 1.975 56.905 54.840 0.150 0.000 0.773 265 L CB -0.853 41.293 42.059 0.145 0.000 0.890 265 L HN 0.169 nan 8.230 nan 0.000 0.434 266 F N -0.111 119.888 119.950 0.082 0.000 2.269 266 F HA -0.246 4.281 4.527 -0.000 0.000 0.301 266 F C 2.258 178.090 175.800 0.054 0.000 1.082 266 F CA 0.970 59.005 58.000 0.059 0.000 1.360 266 F CB 0.023 39.052 39.000 0.049 0.000 1.041 266 F HN 0.001 nan 8.300 nan 0.000 0.512 267 L N 1.267 122.211 121.223 -0.465 0.000 2.079 267 L HA -0.185 4.154 4.340 -0.000 0.000 0.210 267 L C 2.253 178.900 176.870 -0.371 0.000 1.081 267 L CA 2.095 56.616 54.840 -0.531 0.000 0.752 267 L CB -0.875 41.041 42.059 -0.238 0.000 0.896 267 L HN 0.472 nan 8.230 nan 0.000 0.433 268 I N -1.283 119.183 120.570 -0.174 0.000 2.252 268 I HA -0.105 4.065 4.170 -0.000 0.000 0.245 268 I C 2.360 178.434 176.117 -0.073 0.000 1.102 268 I CA 1.710 62.961 61.300 -0.082 0.000 1.385 268 I CB -0.957 37.047 38.000 0.006 0.000 1.064 268 I HN 0.107 nan 8.210 nan 0.000 0.414 269 A N 0.891 123.694 122.820 -0.028 0.000 2.024 269 A HA -0.261 4.059 4.320 -0.000 0.000 0.220 269 A C 2.279 179.927 177.584 0.107 0.000 1.164 269 A CA 2.109 54.226 52.037 0.133 0.000 0.643 269 A CB -0.890 18.372 19.000 0.437 0.000 0.806 269 A HN 0.829 nan 8.150 nan 0.000 0.451 270 Q N -0.410 119.270 119.800 -0.200 0.000 2.204 270 Q HA 0.050 4.390 4.340 -0.000 0.000 0.198 270 Q C 1.962 177.913 176.000 -0.081 0.000 0.946 270 Q CA 1.031 56.769 55.803 -0.110 0.000 0.859 270 Q CB -0.318 28.188 28.738 -0.388 0.000 0.946 270 Q HN 0.633 nan 8.270 nan 0.000 0.474 271 K N 1.242 121.569 120.400 -0.122 0.000 1.965 271 K HA -0.140 4.180 4.320 -0.000 0.000 0.220 271 K C 1.957 178.526 176.600 -0.052 0.000 1.046 271 K CA 1.658 57.896 56.287 -0.082 0.000 0.974 271 K CB -0.478 31.973 32.500 -0.083 0.000 0.738 271 K HN 0.128 nan 8.250 nan 0.000 0.444 272 V N 2.192 122.080 119.914 -0.044 0.000 3.305 272 V HA -0.010 4.110 4.120 -0.000 0.000 0.269 272 V C -1.414 174.653 176.094 -0.047 0.000 1.157 272 V CA 0.727 62.995 62.300 -0.053 0.000 1.157 272 V CB -0.454 31.342 31.823 -0.044 0.000 0.772 272 V HN 0.477 nan 8.190 nan 0.000 0.498 273 P HA -0.183 nan 4.420 nan 0.000 0.217 273 P C 1.552 178.838 177.300 -0.024 0.000 1.154 273 P CA 1.363 64.458 63.100 -0.008 0.000 0.841 273 P CB 0.145 31.868 31.700 0.038 0.000 0.788 274 E N -0.040 120.149 120.200 -0.018 0.000 2.097 274 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 274 E C 1.776 178.352 176.600 -0.039 0.000 1.000 274 E CA 2.109 58.496 56.400 -0.022 0.000 0.804 274 E CB -0.450 29.239 29.700 -0.019 0.000 0.740 274 E HN 0.140 nan 8.360 nan 0.000 0.454 275 T N 0.001 114.519 114.554 -0.060 0.000 2.570 275 T HA -0.204 4.146 4.350 -0.000 0.000 0.266 275 T C 2.088 176.737 174.700 -0.085 0.000 1.071 275 T CA 1.725 63.772 62.100 -0.088 0.000 1.172 275 T CB -0.503 68.275 68.868 -0.150 0.000 0.864 275 T HN 0.091 nan 8.240 nan 0.000 0.421 276 S N 1.034 116.671 115.700 -0.106 0.000 2.419 276 S HA 0.031 4.501 4.470 -0.000 0.000 0.233 276 S C 2.017 176.566 174.600 -0.086 0.000 1.016 276 S CA 0.714 58.834 58.200 -0.133 0.000 0.974 276 S CB -0.501 62.590 63.200 -0.182 0.000 0.786 276 S HN 0.385 nan 8.310 nan 0.000 0.492 277 L N 0.860 122.049 121.223 -0.056 0.000 2.072 277 L HA -0.042 4.298 4.340 -0.000 0.000 0.205 277 L C 1.803 178.658 176.870 -0.025 0.000 1.079 277 L CA 1.147 55.965 54.840 -0.036 0.000 0.752 277 L CB -0.815 41.229 42.059 -0.024 0.000 0.906 277 L HN 0.212 nan 8.230 nan 0.000 0.436 278 N N -0.471 118.217 118.700 -0.020 0.000 2.331 278 N HA -0.038 4.702 4.740 -0.000 0.000 0.180 278 N C 0.419 175.930 175.510 0.002 0.000 1.019 278 N CA 0.664 53.710 53.050 -0.008 0.000 0.881 278 N CB 0.143 38.627 38.487 -0.006 0.000 0.972 278 N HN 0.190 nan 8.380 nan 0.000 0.435 279 V N -1.782 118.133 119.914 0.003 0.000 3.285 279 V HA 0.495 4.615 4.120 -0.000 0.000 0.302 279 V C -1.986 174.119 176.094 0.019 0.000 1.247 279 V CA -2.011 60.311 62.300 0.036 0.000 1.035 279 V CB 0.844 32.725 31.823 0.097 0.000 1.223 279 V HN -0.178 nan 8.190 nan 0.000 0.475 280 P HA 0.244 nan 4.420 nan 0.000 0.310 280 P C -1.080 176.134 177.300 -0.143 0.000 1.309 280 P CA 0.296 63.414 63.100 0.030 0.000 0.753 280 P CB 0.668 32.486 31.700 0.196 0.000 1.491 281 L N -1.987 119.129 121.223 -0.178 0.000 2.710 281 L HA 0.677 5.017 4.340 -0.000 0.000 0.260 281 L C -1.336 175.422 176.870 -0.187 0.000 0.993 281 L CA -0.944 53.734 54.840 -0.269 0.000 0.877 281 L CB 1.632 43.608 42.059 -0.139 0.000 1.461 281 L HN 0.422 nan 8.230 nan 0.000 0.413 282 I N 0.428 120.889 120.570 -0.182 0.000 2.746 282 I HA 0.455 4.625 4.170 -0.000 0.000 0.290 282 I C 0.184 176.288 176.117 -0.020 0.000 1.600 282 I CA -0.042 61.242 61.300 -0.026 0.000 1.019 282 I CB 2.375 40.450 38.000 0.125 0.000 1.426 282 I HN 0.659 nan 8.210 nan 0.000 0.460 283 G N 4.282 113.072 108.800 -0.017 0.000 2.603 283 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.214 283 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.214 283 G C 1.024 175.845 174.900 -0.131 0.000 1.140 283 G CA 0.282 45.346 45.100 -0.059 0.000 0.800 283 G HN 0.526 nan 8.290 nan 0.000 0.533 284 K N 0.637 120.947 120.400 -0.150 0.000 1.991 284 K HA -0.064 4.256 4.320 -0.000 0.000 0.212 284 K C 1.987 178.179 176.600 -0.681 0.000 1.049 284 K CA 1.282 57.332 56.287 -0.394 0.000 0.932 284 K CB -0.762 31.563 32.500 -0.292 0.000 0.717 284 K HN 0.439 nan 8.250 nan 0.000 0.441 285 Y N 0.465 120.689 120.300 -0.127 0.000 2.274 285 Y HA -0.125 4.425 4.550 -0.000 0.000 0.290 285 Y C 2.094 177.961 175.900 -0.056 0.000 1.145 285 Y CA 0.878 59.023 58.100 0.075 0.000 1.203 285 Y CB -0.357 38.233 38.460 0.216 0.000 0.984 285 Y HN -0.023 nan 8.280 nan 0.000 0.533 286 L N -0.034 121.203 121.223 0.023 0.000 2.046 286 L HA -0.226 4.113 4.340 -0.000 0.000 0.208 286 L C 2.482 179.300 176.870 -0.087 0.000 1.077 286 L CA 1.386 56.213 54.840 -0.021 0.000 0.747 286 L CB -0.462 41.574 42.059 -0.038 0.000 0.896 286 L HN 0.389 nan 8.230 nan 0.000 0.432 287 I N -1.218 119.202 120.570 -0.251 0.000 2.179 287 I HA -0.345 3.824 4.170 -0.000 0.000 0.242 287 I C 2.325 178.421 176.117 -0.035 0.000 1.088 287 I CA 1.738 62.953 61.300 -0.143 0.000 1.357 287 I CB -0.358 37.497 38.000 -0.242 0.000 1.051 287 I HN 0.077 nan 8.210 nan 0.000 0.409 288 F N 0.989 120.926 119.950 -0.022 0.000 2.095 288 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 288 F C 2.578 178.125 175.800 -0.423 0.000 1.104 288 F CA 1.452 59.190 58.000 -0.438 0.000 1.232 288 F CB -1.223 37.636 39.000 -0.235 0.000 0.987 288 F HN -0.057 nan 8.300 nan 0.000 0.475 289 V N 0.829 120.752 119.914 0.015 0.000 2.214 289 V HA -0.370 3.750 4.120 -0.000 0.000 0.245 289 V C 2.373 178.464 176.094 -0.005 0.000 1.047 289 V CA 2.345 64.654 62.300 0.015 0.000 0.998 289 V CB -0.631 31.236 31.823 0.073 0.000 0.633 289 V HN 0.340 nan 8.190 nan 0.000 0.446 290 M N -0.260 119.363 119.600 0.039 0.000 2.149 290 M HA -0.187 4.293 4.480 -0.000 0.000 0.261 290 M C 2.157 178.540 176.300 0.138 0.000 1.064 290 M CA 2.267 57.617 55.300 0.084 0.000 1.102 290 M CB -0.545 32.109 32.600 0.090 0.000 1.369 290 M HN 0.614 nan 8.290 nan 0.000 0.408 291 F N -0.721 119.258 119.950 0.048 0.000 2.416 291 F HA 0.109 4.636 4.527 -0.000 0.000 0.296 291 F C 1.737 177.581 175.800 0.073 0.000 1.099 291 F CA 0.410 58.440 58.000 0.050 0.000 1.427 291 F CB -1.031 37.988 39.000 0.032 0.000 1.079 291 F HN -0.219 nan 8.300 nan 0.000 0.536 292 V N 0.905 120.607 119.914 -0.353 0.000 2.667 292 V HA -0.200 3.920 4.120 -0.000 0.000 0.252 292 V C 2.839 178.926 176.094 -0.011 0.000 1.065 292 V CA 1.819 63.992 62.300 -0.212 0.000 1.083 292 V CB -0.764 30.904 31.823 -0.258 0.000 0.692 292 V HN 0.661 nan 8.190 nan 0.000 0.468 293 S N -0.298 115.409 115.700 0.013 0.000 2.371 293 S HA -0.118 4.351 4.470 -0.000 0.000 0.224 293 S C 1.994 176.649 174.600 0.091 0.000 1.029 293 S CA 1.321 59.556 58.200 0.059 0.000 0.978 293 S CB -0.406 62.834 63.200 0.065 0.000 0.833 293 S HN 0.467 nan 8.310 nan 0.000 0.466 294 L N 1.117 122.411 121.223 0.119 0.000 2.217 294 L HA 0.052 4.392 4.340 -0.000 0.000 0.211 294 L C 2.409 179.355 176.870 0.126 0.000 1.107 294 L CA 0.734 55.648 54.840 0.124 0.000 0.783 294 L CB -0.152 41.989 42.059 0.138 0.000 0.919 294 L HN 0.250 nan 8.230 nan 0.000 0.442 295 V N 0.181 120.184 119.914 0.149 0.000 2.453 295 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 295 V C 2.248 178.420 176.094 0.130 0.000 1.048 295 V CA 1.703 64.087 62.300 0.141 0.000 1.049 295 V CB -0.417 31.508 31.823 0.169 0.000 0.672 295 V HN 0.549 nan 8.190 nan 0.000 0.457 296 I N 0.024 120.666 120.570 0.120 0.000 2.208 296 I HA -0.171 3.998 4.170 -0.000 0.000 0.245 296 I C 2.198 178.395 176.117 0.134 0.000 1.097 296 I CA 2.098 63.474 61.300 0.127 0.000 1.363 296 I CB -0.565 37.487 38.000 0.086 0.000 1.051 296 I HN 0.139 nan 8.210 nan 0.000 0.413 297 V N 1.173 121.153 119.914 0.109 0.000 2.307 297 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 297 V C 2.611 178.767 176.094 0.104 0.000 1.045 297 V CA 2.427 64.786 62.300 0.098 0.000 1.024 297 V CB -1.750 30.124 31.823 0.085 0.000 0.651 297 V HN 0.506 nan 8.190 nan 0.000 0.449 298 T N 0.640 115.254 114.554 0.100 0.000 2.580 298 T HA -0.234 4.116 4.350 -0.000 0.000 0.265 298 T C 1.983 176.736 174.700 0.089 0.000 1.063 298 T CA 2.044 64.195 62.100 0.084 0.000 1.170 298 T CB -0.517 68.396 68.868 0.075 0.000 0.863 298 T HN 0.417 nan 8.240 nan 0.000 0.418 299 N N 0.406 119.172 118.700 0.110 0.000 2.381 299 N HA -0.084 4.656 4.740 -0.000 0.000 0.182 299 N C 2.121 177.740 175.510 0.182 0.000 1.025 299 N CA 0.597 53.701 53.050 0.091 0.000 0.888 299 N CB -0.516 38.014 38.487 0.072 0.000 0.965 299 N HN 0.443 nan 8.380 nan 0.000 0.438 300 C N 0.144 119.596 119.300 0.253 0.000 2.473 300 C HA -0.052 4.408 4.460 -0.000 0.000 0.279 300 C C 2.765 177.860 174.990 0.175 0.000 1.250 300 C CA 1.337 60.519 59.018 0.272 0.000 1.713 300 C CB -1.045 26.790 27.740 0.159 0.000 2.066 300 C HN 0.321 nan 8.230 nan 0.000 0.474 301 V N 0.799 120.782 119.914 0.115 0.000 2.515 301 V HA -0.111 4.009 4.120 -0.000 0.000 0.250 301 V C 2.349 178.489 176.094 0.076 0.000 1.058 301 V CA 2.030 64.380 62.300 0.083 0.000 1.064 301 V CB -1.093 30.768 31.823 0.063 0.000 0.675 301 V HN 0.628 nan 8.190 nan 0.000 0.461 302 I N 0.097 120.711 120.570 0.073 0.000 2.194 302 I HA -0.251 3.919 4.170 -0.000 0.000 0.246 302 I C 2.637 178.784 176.117 0.050 0.000 1.093 302 I CA 1.760 63.088 61.300 0.046 0.000 1.355 302 I CB -0.327 37.685 38.000 0.020 0.000 1.046 302 I HN 0.220 nan 8.210 nan 0.000 0.413 303 V N 0.764 120.725 119.914 0.079 0.000 2.282 303 V HA -0.304 3.815 4.120 -0.000 0.000 0.249 303 V C 2.384 178.529 176.094 0.085 0.000 1.057 303 V CA 2.123 64.478 62.300 0.092 0.000 1.032 303 V CB -0.352 31.616 31.823 0.243 0.000 0.645 303 V HN 0.368 nan 8.190 nan 0.000 0.447 304 L N 0.840 122.117 121.223 0.090 0.000 2.056 304 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 304 L C 2.119 179.024 176.870 0.059 0.000 1.078 304 L CA 2.515 57.399 54.840 0.073 0.000 0.749 304 L CB -1.153 40.947 42.059 0.070 0.000 0.901 304 L HN 0.522 nan 8.230 nan 0.000 0.433 305 N N -1.332 117.400 118.700 0.053 0.000 2.443 305 N HA -0.150 4.590 4.740 -0.000 0.000 0.184 305 N C 1.429 176.963 175.510 0.039 0.000 1.037 305 N CA 1.338 54.414 53.050 0.043 0.000 0.896 305 N CB -0.008 38.501 38.487 0.036 0.000 0.959 305 N HN 0.297 nan 8.380 nan 0.000 0.442 306 V N -0.608 119.330 119.914 0.040 0.000 2.500 306 V HA -0.007 4.112 4.120 -0.000 0.000 0.243 306 V C 1.346 177.453 176.094 0.022 0.000 1.039 306 V CA 1.457 63.778 62.300 0.034 0.000 1.053 306 V CB -0.281 31.562 31.823 0.033 0.000 0.695 306 V HN 0.525 nan 8.190 nan 0.000 0.463 307 S N -0.594 115.122 115.700 0.026 0.000 2.699 307 S HA 0.302 4.772 4.470 -0.000 0.000 0.251 307 S C 0.735 175.350 174.600 0.025 0.000 1.179 307 S CA 0.122 58.325 58.200 0.004 0.000 1.200 307 S CB 0.281 63.490 63.200 0.016 0.000 0.848 307 S HN 0.457 nan 8.310 nan 0.000 0.472 308 L N 0.135 121.378 121.223 0.032 0.000 2.753 308 L HA 0.227 4.566 4.340 -0.000 0.000 0.238 308 L C 2.234 179.132 176.870 0.047 0.000 1.028 308 L CA 0.199 55.072 54.840 0.056 0.000 0.966 308 L CB -0.022 42.069 42.059 0.052 0.000 1.681 308 L HN 0.408 nan 8.230 nan 0.000 0.511 309 R N 0.996 121.516 120.500 0.033 0.000 2.119 309 R HA -0.092 4.247 4.340 -0.000 0.000 0.246 309 R C 0.701 177.020 176.300 0.032 0.000 1.146 309 R CA 1.787 57.905 56.100 0.031 0.000 0.962 309 R CB -2.300 28.017 30.300 0.029 0.000 0.863 309 R HN 0.383 nan 8.270 nan 0.000 0.442 310 T N -1.378 113.191 114.554 0.026 0.000 2.899 310 T HA 0.334 4.684 4.350 -0.000 0.000 0.284 310 T C -1.868 172.862 174.700 0.050 0.000 1.004 310 T CA -1.972 60.147 62.100 0.032 0.000 1.043 310 T CB 1.577 70.455 68.868 0.016 0.000 1.013 310 T HN -0.092 nan 8.240 nan 0.000 0.518 311 P HA -0.072 nan 4.420 nan 0.000 0.215 311 P C 0.918 178.267 177.300 0.081 0.000 1.157 311 P CA 1.180 64.320 63.100 0.066 0.000 0.874 311 P CB 0.148 31.892 31.700 0.073 0.000 0.790 312 N N -4.014 114.742 118.700 0.094 0.000 2.211 312 N HA 0.010 4.750 4.740 -0.000 0.000 0.216 312 N C 1.316 176.923 175.510 0.163 0.000 1.240 312 N CA 0.436 53.555 53.050 0.115 0.000 0.895 312 N CB -0.555 37.993 38.487 0.102 0.000 1.102 312 N HN 0.014 nan 8.380 nan 0.000 0.498 313 T N 1.541 116.153 114.554 0.096 0.000 3.118 313 T HA -0.073 4.277 4.350 -0.000 0.000 0.260 313 T C 0.536 175.084 174.700 -0.254 0.000 1.139 313 T CA 0.316 62.421 62.100 0.008 0.000 1.085 313 T CB -0.605 68.216 68.868 -0.079 0.000 0.934 313 T HN 0.489 nan 8.240 nan 0.000 0.518 415 C N 3.355 122.624 119.300 -0.051 0.000 2.435 415 C HA 0.294 4.754 4.460 -0.000 0.000 0.279 415 C C 2.676 177.612 174.990 -0.089 0.000 1.321 415 C CA 0.548 59.538 59.018 -0.047 0.000 1.752 415 C CB -1.726 25.996 27.740 -0.030 0.000 1.959 415 C HN 0.933 nan 8.230 nan 0.000 0.500 416 V N 1.724 121.573 119.914 -0.108 0.000 2.231 416 V HA -0.325 3.795 4.120 -0.000 0.000 0.250 416 V C 2.424 178.367 176.094 -0.251 0.000 1.058 416 V CA 2.806 65.023 62.300 -0.138 0.000 1.022 416 V CB -1.034 30.720 31.823 -0.115 0.000 0.640 416 V HN 0.667 nan 8.190 nan 0.000 0.445 417 E N -0.101 119.876 120.200 -0.371 0.000 2.152 417 E HA 0.016 4.366 4.350 -0.000 0.000 0.192 417 E C 2.348 178.196 176.600 -1.253 0.000 0.983 417 E CA 1.005 56.904 56.400 -0.836 0.000 0.818 417 E CB -0.298 28.890 29.700 -0.853 0.000 0.758 417 E HN 0.789 nan 8.360 nan 0.000 0.467 418 A N 0.235 122.754 122.820 -0.503 0.000 1.933 418 A HA -0.188 4.131 4.320 -0.000 0.000 0.218 418 A C 2.275 179.851 177.584 -0.014 0.000 1.175 418 A CA 1.212 53.236 52.037 -0.023 0.000 0.628 418 A CB -0.554 18.499 19.000 0.088 0.000 0.814 418 A HN 0.397 nan 8.150 nan 0.000 0.444 419 C N -0.767 118.472 119.300 -0.103 0.000 2.495 419 C HA 0.071 4.530 4.460 -0.000 0.000 0.275 419 C C 2.404 177.355 174.990 -0.065 0.000 1.392 419 C CA 0.593 59.584 59.018 -0.044 0.000 1.766 419 C CB -1.379 26.337 27.740 -0.041 0.000 1.933 419 C HN 0.627 nan 8.230 nan 0.000 0.519 420 N N 0.979 119.568 118.700 -0.184 0.000 2.270 420 N HA 0.019 4.759 4.740 -0.000 0.000 0.181 420 N C 1.362 176.853 175.510 -0.031 0.000 1.016 420 N CA 1.030 53.993 53.050 -0.145 0.000 0.870 420 N CB -0.452 37.898 38.487 -0.229 0.000 0.979 420 N HN 0.518 nan 8.380 nan 0.000 0.431 421 F N 1.448 121.400 119.950 0.004 0.000 2.025 421 F HA -0.212 4.315 4.527 -0.000 0.000 0.297 421 F C 2.230 178.033 175.800 0.006 0.000 1.132 421 F CA 0.883 58.886 58.000 0.005 0.000 1.191 421 F CB -0.494 38.509 39.000 0.005 0.000 0.963 421 F HN 0.030 nan 8.300 nan 0.000 0.481 422 I N -0.886 119.815 120.570 0.218 0.000 2.286 422 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 422 I C 2.397 178.560 176.117 0.077 0.000 1.115 422 I CA 1.566 62.937 61.300 0.119 0.000 1.392 422 I CB -0.995 37.061 38.000 0.093 0.000 1.065 422 I HN 0.068 nan 8.210 nan 0.000 0.418 423 A N 1.740 124.596 122.820 0.060 0.000 1.897 423 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 423 A C 2.309 179.919 177.584 0.044 0.000 1.181 423 A CA 1.517 53.577 52.037 0.038 0.000 0.620 423 A CB -0.548 18.463 19.000 0.017 0.000 0.821 423 A HN 0.462 nan 8.150 nan 0.000 0.443 424 K N 0.028 120.464 120.400 0.060 0.000 2.442 424 K HA -0.089 4.231 4.320 -0.000 0.000 0.198 424 K C 2.196 178.831 176.600 0.058 0.000 1.044 424 K CA 1.081 57.405 56.287 0.061 0.000 0.948 424 K CB -0.092 32.461 32.500 0.089 0.000 0.762 424 K HN 0.495 nan 8.250 nan 0.000 0.472 425 S N 0.000 115.738 115.700 0.063 0.000 2.348 425 S HA -0.102 4.368 4.470 -0.000 0.000 0.219 425 S C 1.846 176.470 174.600 0.040 0.000 1.033 425 S CA 1.446 59.676 58.200 0.051 0.000 0.974 425 S CB -0.246 62.986 63.200 0.053 0.000 0.868 425 S HN 0.224 nan 8.310 nan 0.000 0.459 426 T N 2.142 116.718 114.554 0.037 0.000 2.760 426 T HA -0.157 4.193 4.350 -0.000 0.000 0.269 426 T C 1.760 176.476 174.700 0.027 0.000 1.047 426 T CA 1.814 63.932 62.100 0.030 0.000 1.139 426 T CB -0.333 68.550 68.868 0.025 0.000 0.855 426 T HN 0.495 nan 8.240 nan 0.000 0.471 427 K N 0.861 121.277 120.400 0.027 0.000 1.973 427 K HA -0.112 4.208 4.320 -0.000 0.000 0.210 427 K C 2.408 179.022 176.600 0.024 0.000 1.045 427 K CA 1.597 57.897 56.287 0.022 0.000 0.937 427 K CB -0.143 32.370 32.500 0.022 0.000 0.721 427 K HN 0.342 nan 8.250 nan 0.000 0.438 428 E N 0.370 120.587 120.200 0.030 0.000 2.150 428 E HA -0.259 4.090 4.350 -0.000 0.000 0.193 428 E C 2.154 178.777 176.600 0.039 0.000 0.985 428 E CA 1.156 57.576 56.400 0.032 0.000 0.814 428 E CB 0.074 29.795 29.700 0.035 0.000 0.752 428 E HN 0.412 nan 8.360 nan 0.000 0.466 429 Q N 0.589 120.411 119.800 0.038 0.000 2.020 429 Q HA -0.219 4.121 4.340 -0.000 0.000 0.202 429 Q C 2.199 178.225 176.000 0.043 0.000 0.982 429 Q CA 1.727 57.555 55.803 0.041 0.000 0.838 429 Q CB -0.245 28.514 28.738 0.036 0.000 0.899 429 Q HN 0.204 nan 8.270 nan 0.000 0.423 430 N N 0.231 118.951 118.700 0.034 0.000 2.188 430 N HA -0.192 4.548 4.740 -0.000 0.000 0.184 430 N C 1.426 176.952 175.510 0.027 0.000 1.018 430 N CA 1.583 54.651 53.050 0.030 0.000 0.858 430 N CB -0.201 38.298 38.487 0.021 0.000 0.989 430 N HN 0.354 nan 8.380 nan 0.000 0.426 431 D N 0.176 120.589 120.400 0.022 0.000 2.116 431 D HA -0.096 4.543 4.640 -0.000 0.000 0.193 431 D C 1.765 178.078 176.300 0.022 0.000 0.998 431 D CA 1.535 55.539 54.000 0.007 0.000 0.836 431 D CB -0.228 40.576 40.800 0.006 0.000 0.951 431 D HN 0.056 nan 8.370 nan 0.000 0.449 432 S N -0.727 115.013 115.700 0.067 0.000 2.387 432 S HA -0.125 4.345 4.470 -0.000 0.000 0.230 432 S C 1.966 176.666 174.600 0.167 0.000 1.035 432 S CA 1.237 59.522 58.200 0.142 0.000 1.014 432 S CB -0.798 62.486 63.200 0.140 0.000 0.836 432 S HN 0.544 nan 8.310 nan 0.000 0.466 433 G N 0.611 109.471 108.800 0.100 0.000 2.414 433 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.215 433 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.215 433 G C 1.548 176.482 174.900 0.057 0.000 1.188 433 G CA 1.083 46.239 45.100 0.094 0.000 0.783 433 G HN 0.587 nan 8.290 nan 0.000 0.537 434 S N 0.330 116.033 115.700 0.005 0.000 2.419 434 S HA -0.083 4.387 4.470 -0.000 0.000 0.233 434 S C 2.108 176.624 174.600 -0.139 0.000 1.016 434 S CA 1.711 59.884 58.200 -0.045 0.000 0.974 434 S CB -0.332 62.839 63.200 -0.049 0.000 0.786 434 S HN 0.556 nan 8.310 nan 0.000 0.492 435 E N 0.792 120.892 120.200 -0.166 0.000 2.077 435 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 435 E C 1.946 178.125 176.600 -0.700 0.000 0.989 435 E CA 1.313 57.411 56.400 -0.503 0.000 0.800 435 E CB -0.334 29.204 29.700 -0.271 0.000 0.746 435 E HN 0.562 nan 8.360 nan 0.000 0.452 436 N N 0.944 119.694 118.700 0.083 0.000 2.023 436 N HA -0.225 4.514 4.740 -0.000 0.000 0.200 436 N C 1.580 177.137 175.510 0.079 0.000 1.048 436 N CA 1.690 55.015 53.050 0.457 0.000 0.872 436 N CB -0.221 38.443 38.487 0.295 0.000 1.070 436 N HN 0.123 nan 8.380 nan 0.000 0.441 437 E N 0.466 120.661 120.200 -0.009 0.000 2.149 437 E HA -0.327 4.023 4.350 -0.000 0.000 0.215 437 E C 1.636 178.164 176.600 -0.119 0.000 1.055 437 E CA 1.410 57.788 56.400 -0.037 0.000 0.870 437 E CB -1.120 28.547 29.700 -0.055 0.000 0.764 437 E HN 0.499 nan 8.360 nan 0.000 0.463 438 N N 0.934 119.443 118.700 -0.318 0.000 2.003 438 N HA -0.233 4.507 4.740 -0.000 0.000 0.198 438 N C 1.689 177.064 175.510 -0.225 0.000 1.073 438 N CA 2.710 55.532 53.050 -0.381 0.000 0.875 438 N CB -0.715 37.369 38.487 -0.671 0.000 1.074 438 N HN 0.307 nan 8.380 nan 0.000 0.435 439 W N -0.431 120.866 121.300 -0.005 0.000 2.361 439 W HA -0.039 4.621 4.660 -0.000 0.000 0.270 439 W C 1.873 178.388 176.519 -0.007 0.000 1.210 439 W CA 0.320 57.662 57.345 -0.006 0.000 1.174 439 W CB -1.300 28.158 29.460 -0.003 0.000 1.131 439 W HN -0.028 nan 8.180 nan 0.000 0.575 440 V N 1.329 121.378 119.914 0.225 0.000 2.374 440 V HA -0.086 4.034 4.120 -0.000 0.000 0.241 440 V C 1.613 177.743 176.094 0.058 0.000 1.034 440 V CA 1.370 63.758 62.300 0.146 0.000 1.037 440 V CB -0.616 31.292 31.823 0.143 0.000 0.682 440 V HN 0.159 nan 8.190 nan 0.000 0.463 441 L N -1.383 119.847 121.223 0.013 0.000 2.851 441 L HA 0.452 4.791 4.340 -0.000 0.000 0.237 441 L C 0.294 177.144 176.870 -0.032 0.000 1.257 441 L CA 0.348 55.175 54.840 -0.021 0.000 1.061 441 L CB -0.519 41.516 42.059 -0.039 0.000 1.372 441 L HN -0.057 nan 8.230 nan 0.000 0.493 442 I N 2.233 122.792 120.570 -0.017 0.000 2.278 442 I HA 0.176 4.346 4.170 -0.000 0.000 0.300 442 I C 1.525 177.622 176.117 -0.034 0.000 1.174 442 I CA -0.040 61.243 61.300 -0.028 0.000 1.347 442 I CB 0.027 38.022 38.000 -0.009 0.000 1.473 442 I HN 0.492 nan 8.210 nan 0.000 0.595 443 G N 5.327 114.096 108.800 -0.052 0.000 3.231 443 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.213 443 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.213 443 G C 1.424 176.270 174.900 -0.091 0.000 1.058 443 G CA -0.023 45.036 45.100 -0.069 0.000 1.643 443 G HN 0.392 nan 8.290 nan 0.000 0.548 444 K N -0.071 120.285 120.400 -0.074 0.000 2.057 444 K HA -0.065 4.255 4.320 -0.000 0.000 0.207 444 K C 2.583 179.105 176.600 -0.131 0.000 1.049 444 K CA 0.666 56.895 56.287 -0.096 0.000 0.931 444 K CB -0.764 31.704 32.500 -0.053 0.000 0.714 444 K HN 0.332 nan 8.250 nan 0.000 0.440 445 V N 1.186 121.056 119.914 -0.072 0.000 2.307 445 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 445 V C 2.320 178.338 176.094 -0.126 0.000 1.045 445 V CA 1.366 63.640 62.300 -0.044 0.000 1.024 445 V CB -0.344 31.498 31.823 0.031 0.000 0.651 445 V HN 0.180 nan 8.190 nan 0.000 0.449 446 I N 0.032 120.530 120.570 -0.120 0.000 2.113 446 I HA -0.236 3.934 4.170 -0.000 0.000 0.238 446 I C 2.487 178.458 176.117 -0.244 0.000 1.070 446 I CA 1.846 63.062 61.300 -0.140 0.000 1.332 446 I CB -0.480 37.459 38.000 -0.101 0.000 1.044 446 I HN 0.365 nan 8.210 nan 0.000 0.402 447 D N 1.007 121.253 120.400 -0.257 0.000 2.126 447 D HA -0.210 4.429 4.640 -0.000 0.000 0.190 447 D C 2.041 178.057 176.300 -0.473 0.000 1.001 447 D CA 1.384 55.183 54.000 -0.335 0.000 0.841 447 D CB -0.300 40.342 40.800 -0.263 0.000 0.949 447 D HN 0.208 nan 8.370 nan 0.000 0.446 448 K N 0.926 120.991 120.400 -0.559 0.000 2.209 448 K HA -0.026 4.294 4.320 -0.000 0.000 0.204 448 K C 1.977 177.818 176.600 -1.264 0.000 1.048 448 K CA 0.686 56.391 56.287 -0.969 0.000 0.940 448 K CB -0.583 31.261 32.500 -1.094 0.000 0.729 448 K HN 0.116 nan 8.250 nan 0.000 0.451 449 A N 0.684 123.056 122.820 -0.746 0.000 1.969 449 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 449 A C 2.574 180.051 177.584 -0.179 0.000 1.169 449 A CA 1.368 53.238 52.037 -0.279 0.000 0.635 449 A CB -0.899 18.057 19.000 -0.073 0.000 0.810 449 A HN 0.341 nan 8.150 nan 0.000 0.445 450 C N -2.236 116.865 119.300 -0.332 0.000 2.436 450 C HA -0.086 4.374 4.460 -0.000 0.000 0.277 450 C C 2.370 177.332 174.990 -0.047 0.000 1.241 450 C CA 1.179 59.971 59.018 -0.376 0.000 1.721 450 C CB -1.480 25.394 27.740 -1.444 0.000 2.043 450 C HN 0.709 nan 8.230 nan 0.000 0.472 451 F N -0.451 119.337 119.950 -0.270 0.000 2.365 451 F HA -0.047 4.480 4.527 -0.000 0.000 0.300 451 F C 2.070 177.993 175.800 0.206 0.000 1.090 451 F CA 1.018 59.026 58.000 0.013 0.000 1.408 451 F CB -0.292 38.640 39.000 -0.113 0.000 1.060 451 F HN 0.429 nan 8.300 nan 0.000 0.534 452 W N 0.700 122.050 121.300 0.084 0.000 2.348 452 W HA -0.251 4.409 4.660 -0.000 0.000 0.324 452 W C 2.453 178.938 176.519 -0.056 0.000 1.209 452 W CA 1.089 58.440 57.345 0.011 0.000 1.275 452 W CB -0.550 28.880 29.460 -0.051 0.000 1.175 452 W HN 0.123 nan 8.180 nan 0.000 0.461 453 I N -0.469 120.216 120.570 0.193 0.000 2.361 453 I HA -0.098 4.072 4.170 -0.000 0.000 0.251 453 I C 2.245 178.470 176.117 0.180 0.000 1.133 453 I CA 1.665 63.040 61.300 0.126 0.000 1.413 453 I CB -1.561 36.447 38.000 0.013 0.000 1.073 453 I HN -0.063 nan 8.210 nan 0.000 0.424 454 A N 1.784 124.706 122.820 0.170 0.000 1.848 454 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 454 A C 2.288 179.855 177.584 -0.028 0.000 1.220 454 A CA 2.539 54.631 52.037 0.091 0.000 0.645 454 A CB -1.491 17.527 19.000 0.030 0.000 0.842 454 A HN 0.542 nan 8.150 nan 0.000 0.451 455 L N -0.326 120.734 121.223 -0.272 0.000 2.131 455 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 455 L C 2.175 179.080 176.870 0.057 0.000 1.092 455 L CA 1.853 56.599 54.840 -0.158 0.000 0.759 455 L CB -0.665 41.214 42.059 -0.301 0.000 0.903 455 L HN 0.535 nan 8.230 nan 0.000 0.435 456 L N -1.134 120.124 121.223 0.059 0.000 2.141 456 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 456 L C 2.384 179.321 176.870 0.111 0.000 1.094 456 L CA 1.864 56.755 54.840 0.086 0.000 0.763 456 L CB -0.880 41.222 42.059 0.073 0.000 0.908 456 L HN 0.406 nan 8.230 nan 0.000 0.437 457 L N 0.022 121.323 121.223 0.130 0.000 1.994 457 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 457 L C 2.505 179.440 176.870 0.108 0.000 1.071 457 L CA 2.017 56.936 54.840 0.131 0.000 0.745 457 L CB -0.937 41.215 42.059 0.156 0.000 0.892 457 L HN 0.266 nan 8.230 nan 0.000 0.431 458 F N -0.238 119.710 119.950 -0.004 0.000 2.161 458 F HA -0.274 4.253 4.527 -0.000 0.000 0.300 458 F C 2.681 178.478 175.800 -0.005 0.000 1.089 458 F CA 1.757 59.749 58.000 -0.014 0.000 1.282 458 F CB -0.336 38.640 39.000 -0.039 0.000 1.010 458 F HN 0.349 nan 8.300 nan 0.000 0.485 459 S N 0.430 116.238 115.700 0.180 0.000 2.345 459 S HA -0.176 4.294 4.470 -0.000 0.000 0.219 459 S C 2.106 176.722 174.600 0.026 0.000 1.031 459 S CA 1.314 59.575 58.200 0.102 0.000 0.984 459 S CB -1.168 62.105 63.200 0.122 0.000 0.874 459 S HN 0.452 nan 8.310 nan 0.000 0.451 460 L N 1.701 122.949 121.223 0.042 0.000 2.013 460 L HA -0.062 4.278 4.340 -0.000 0.000 0.212 460 L C 3.030 179.876 176.870 -0.041 0.000 1.073 460 L CA 1.482 56.340 54.840 0.029 0.000 0.753 460 L CB -1.431 40.655 42.059 0.046 0.000 0.890 460 L HN 0.563 nan 8.230 nan 0.000 0.432 461 G N -0.800 107.952 108.800 -0.081 0.000 2.453 461 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.215 461 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.215 461 G C 1.553 176.342 174.900 -0.185 0.000 1.201 461 G CA 1.243 46.258 45.100 -0.142 0.000 0.784 461 G HN 0.285 nan 8.290 nan 0.000 0.545 462 T N 1.534 115.915 114.554 -0.287 0.000 2.652 462 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 462 T C 2.276 176.960 174.700 -0.027 0.000 1.039 462 T CA 1.400 63.356 62.100 -0.240 0.000 1.153 462 T CB -0.442 68.208 68.868 -0.364 0.000 0.863 462 T HN 0.187 nan 8.240 nan 0.000 0.428 463 L N 1.676 122.900 121.223 0.001 0.000 2.010 463 L HA -0.170 4.170 4.340 -0.000 0.000 0.219 463 L C 2.427 179.281 176.870 -0.026 0.000 1.077 463 L CA 2.370 57.251 54.840 0.069 0.000 0.773 463 L CB -1.231 40.883 42.059 0.092 0.000 0.892 463 L HN 0.233 nan 8.230 nan 0.000 0.436 464 A N 0.258 123.008 122.820 -0.115 0.000 1.826 464 A HA -0.094 4.226 4.320 -0.000 0.000 0.214 464 A C 2.337 179.765 177.584 -0.260 0.000 1.212 464 A CA 1.742 53.616 52.037 -0.272 0.000 0.605 464 A CB -1.136 17.734 19.000 -0.217 0.000 0.861 464 A HN 0.700 nan 8.150 nan 0.000 0.447 465 I N -2.555 117.929 120.570 -0.144 0.000 2.361 465 I HA -0.185 3.984 4.170 -0.000 0.000 0.251 465 I C 2.251 178.339 176.117 -0.047 0.000 1.133 465 I CA 2.294 63.534 61.300 -0.099 0.000 1.413 465 I CB -0.435 37.527 38.000 -0.063 0.000 1.073 465 I HN 0.275 nan 8.210 nan 0.000 0.424 466 F N 2.193 122.045 119.950 -0.163 0.000 2.102 466 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 466 F C 2.143 177.870 175.800 -0.122 0.000 1.105 466 F CA 1.682 59.611 58.000 -0.117 0.000 1.239 466 F CB -0.545 38.395 39.000 -0.101 0.000 0.991 466 F HN -0.009 nan 8.300 nan 0.000 0.474 467 L N -0.387 120.608 121.223 -0.380 0.000 2.093 467 L HA -0.193 4.146 4.340 -0.000 0.000 0.208 467 L C 2.224 178.817 176.870 -0.461 0.000 1.085 467 L CA 1.813 56.334 54.840 -0.531 0.000 0.755 467 L CB -1.050 40.681 42.059 -0.547 0.000 0.904 467 L HN 0.184 nan 8.230 nan 0.000 0.435 468 T N -0.617 113.693 114.554 -0.407 0.000 2.915 468 T HA -0.100 4.250 4.350 -0.000 0.000 0.269 468 T C 1.770 176.363 174.700 -0.178 0.000 1.071 468 T CA 1.080 63.014 62.100 -0.276 0.000 1.132 468 T CB -0.341 68.451 68.868 -0.127 0.000 0.878 468 T HN 0.546 nan 8.240 nan 0.000 0.479 469 G N 0.334 109.032 108.800 -0.170 0.000 2.422 469 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 469 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 469 G C 1.300 176.098 174.900 -0.169 0.000 1.146 469 G CA 1.022 46.055 45.100 -0.112 0.000 0.769 469 G HN 0.560 nan 8.290 nan 0.000 0.547 470 H N -0.470 118.381 119.070 -0.366 0.000 2.333 470 H HA 0.104 4.660 4.556 -0.000 0.000 0.302 470 H C 1.996 177.168 175.328 -0.260 0.000 1.075 470 H CA 0.720 56.566 56.048 -0.335 0.000 1.348 470 H CB -0.104 29.405 29.762 -0.421 0.000 1.393 470 H HN 0.189 nan 8.280 nan 0.000 0.509 471 L N 1.163 122.249 121.223 -0.228 0.000 2.675 471 L HA 0.008 4.348 4.340 -0.000 0.000 0.238 471 L C 1.169 177.768 176.870 -0.452 0.000 1.155 471 L CA 1.125 55.763 54.840 -0.337 0.000 0.881 471 L CB -1.212 40.578 42.059 -0.447 0.000 1.008 471 L HN 0.568 nan 8.230 nan 0.000 0.443 472 N N -2.468 116.093 118.700 -0.233 0.000 2.382 472 N HA -0.076 4.664 4.740 -0.000 0.000 0.200 472 N C 1.348 176.875 175.510 0.028 0.000 1.122 472 N CA -0.135 52.990 53.050 0.126 0.000 0.870 472 N CB 0.237 38.871 38.487 0.244 0.000 1.176 472 N HN 0.254 nan 8.380 nan 0.000 0.474 473 Q N 0.865 120.566 119.800 -0.165 0.000 2.402 473 Q HA 0.151 4.491 4.340 -0.000 0.000 0.206 473 Q C 1.744 177.557 176.000 -0.312 0.000 0.919 473 Q CA 0.346 56.028 55.803 -0.202 0.000 0.923 473 Q CB 0.579 29.197 28.738 -0.199 0.000 1.048 473 Q HN 0.222 nan 8.270 nan 0.000 0.515 474 V N 1.004 120.618 119.914 -0.499 0.000 2.300 474 V HA -0.082 4.038 4.120 -0.000 0.000 0.241 474 V C -1.033 174.948 176.094 -0.188 0.000 1.034 474 V CA 1.282 63.352 62.300 -0.382 0.000 1.021 474 V CB -0.853 30.757 31.823 -0.355 0.000 0.662 474 V HN 0.163 nan 8.190 nan 0.000 0.458 475 P HA -0.015 nan 4.420 nan 0.000 0.239 475 P C 0.626 177.877 177.300 -0.083 0.000 1.184 475 P CA 0.579 63.590 63.100 -0.148 0.000 0.760 475 P CB 0.096 31.684 31.700 -0.187 0.000 0.884 476 E N 0.000 120.180 120.200 -0.033 0.000 2.725 476 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 476 E CA 0.000 56.416 56.400 0.027 0.000 0.976 476 E CB 0.000 29.713 29.700 0.021 0.000 0.812 476 E HN 0.000 nan 8.360 nan 0.000 0.440