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 1bh3_1_A DATA FIRST_RESID 1 DATA SEQUENCE MISLNGYGRF GLQYVEDRGV GLEDTIISSR LRINIVGTTE TDQGVTFGAK DATA SEQUENCE LRMQWDDGDA FAGTAGNAAQ FWTSYNGVTV SVGNVDTAFD SVALTYDSEM DATA SEQUENCE GYEASSFGDA QSSFFKYNSK YDASGALDNY NGIAVTYSIS GVNLYLSYVD DATA SEQUENCE PDQTVDSSLV TEEFGIAADW SNDMISLAAA YTTDAGGIVD NDIAFVGAAY DATA SEQUENCE KFNDAGTVGL NWYDNGLSTA GDQVTLYGNY AFGATTVRAY VSDIDRAGAD DATA SEQUENCE TAYGIGADYQ FAEGVKVSGS VQSGFANETV ADVGVRFDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.326 176.300 0.043 0.000 1.140 1 M CA 0.000 55.325 55.300 0.041 0.000 0.988 1 M CB 0.000 32.631 32.600 0.052 0.000 1.302 2 I N 3.399 123.995 120.570 0.044 0.000 2.389 2 I HA 0.476 4.649 4.170 0.004 0.000 0.288 2 I C -0.322 175.830 176.117 0.058 0.000 0.999 2 I CA -0.455 60.874 61.300 0.048 0.000 1.129 2 I CB 2.225 40.248 38.000 0.038 0.000 1.288 2 I HN 0.735 nan 8.210 nan 0.000 0.444 3 S N 7.040 122.783 115.700 0.072 0.000 2.568 3 S HA 0.788 5.261 4.470 0.004 0.000 0.302 3 S C -0.718 173.932 174.600 0.084 0.000 1.082 3 S CA -0.951 57.296 58.200 0.077 0.000 1.009 3 S CB 2.281 65.531 63.200 0.083 0.000 1.069 3 S HN 0.413 nan 8.310 nan 0.000 0.500 4 L N 2.420 123.696 121.223 0.089 0.000 2.362 4 L HA 0.628 4.971 4.340 0.004 0.000 0.275 4 L C -0.622 176.326 176.870 0.130 0.000 0.998 4 L CA -0.733 54.169 54.840 0.103 0.000 0.820 4 L CB 1.399 43.518 42.059 0.100 0.000 1.270 4 L HN 0.972 nan 8.230 nan 0.000 0.415 5 N N 1.257 120.035 118.700 0.131 0.000 2.697 5 N HA 0.923 5.666 4.740 0.004 0.000 0.272 5 N C -0.550 175.025 175.510 0.109 0.000 1.381 5 N CA -0.450 52.684 53.050 0.139 0.000 0.797 5 N CB 2.546 41.080 38.487 0.078 0.000 1.523 5 N HN 0.701 nan 8.380 nan 0.000 0.518 6 G N -1.694 107.078 108.800 -0.046 0.000 2.348 6 G HA2 0.444 4.406 3.960 0.004 0.000 0.296 6 G HA3 0.444 4.406 3.960 0.004 0.000 0.296 6 G C -2.278 172.114 174.900 -0.846 0.000 1.258 6 G CA -0.334 44.592 45.100 -0.289 0.000 0.868 6 G HN 1.132 nan 8.290 nan 0.000 0.488 7 Y N -1.945 117.797 120.300 -0.930 0.000 2.656 7 Y HA 0.814 5.367 4.550 0.005 0.000 0.334 7 Y C -0.113 175.422 175.900 -0.608 0.000 1.179 7 Y CA -1.100 56.368 58.100 -1.052 0.000 1.050 7 Y CB 1.175 39.304 38.460 -0.552 0.000 1.308 7 Y HN 1.284 nan 8.280 nan 0.000 0.456 8 G N 1.386 109.874 108.800 -0.520 0.000 2.482 8 G HA2 0.710 4.672 3.960 0.004 0.000 0.317 8 G HA3 0.710 4.672 3.960 0.004 0.000 0.317 8 G C -1.793 172.896 174.900 -0.353 0.000 1.241 8 G CA -1.460 43.415 45.100 -0.375 0.000 0.967 8 G HN 1.019 nan 8.290 nan 0.000 0.482 9 R N 0.048 120.615 120.500 0.111 0.000 2.651 9 R HA 0.782 5.125 4.340 0.004 0.000 0.278 9 R C -1.745 174.800 176.300 0.408 0.000 1.010 9 R CA -0.880 55.337 56.100 0.195 0.000 0.896 9 R CB 1.770 32.206 30.300 0.227 0.000 1.211 9 R HN 0.738 nan 8.270 nan 0.000 0.456 10 F N -0.651 119.444 119.950 0.243 0.000 2.668 10 F HA 0.921 5.451 4.527 0.005 0.000 0.309 10 F C -0.488 175.190 175.800 -0.204 0.000 1.117 10 F CA -0.325 57.779 58.000 0.174 0.000 0.951 10 F CB 1.732 40.843 39.000 0.185 0.000 1.323 10 F HN 0.963 nan 8.300 nan 0.000 0.451 11 G N 0.779 109.570 108.800 -0.015 0.000 2.356 11 G HA2 0.437 4.400 3.960 0.004 0.000 0.281 11 G HA3 0.437 4.400 3.960 0.004 0.000 0.281 11 G C -2.495 172.423 174.900 0.030 0.000 1.246 11 G CA -1.044 43.846 45.100 -0.350 0.000 0.889 11 G HN 0.822 nan 8.290 nan 0.000 0.486 12 L N 0.903 122.144 121.223 0.030 0.000 2.317 12 L HA 0.666 5.009 4.340 0.004 0.000 0.281 12 L C 0.002 177.032 176.870 0.268 0.000 1.024 12 L CA -0.591 54.343 54.840 0.156 0.000 0.810 12 L CB 1.974 44.093 42.059 0.099 0.000 1.240 12 L HN 0.594 nan 8.230 nan 0.000 0.427 13 Q N 3.035 122.977 119.800 0.236 0.000 2.330 13 Q HA 0.322 4.665 4.340 0.004 0.000 0.269 13 Q C -2.002 174.111 176.000 0.187 0.000 1.022 13 Q CA -0.690 55.233 55.803 0.201 0.000 0.796 13 Q CB 2.292 31.104 28.738 0.122 0.000 1.271 13 Q HN 0.582 nan 8.270 nan 0.000 0.450 14 Y N 3.480 123.812 120.300 0.055 0.000 2.364 14 Y HA 0.578 5.131 4.550 0.004 0.000 0.340 14 Y C -1.733 174.184 175.900 0.027 0.000 0.975 14 Y CA -0.635 57.488 58.100 0.038 0.000 1.089 14 Y CB 1.525 40.008 38.460 0.039 0.000 1.192 14 Y HN 0.350 nan 8.280 nan 0.000 0.454 15 V N 6.722 126.243 119.914 -0.656 0.000 2.419 15 V HA 0.172 4.294 4.120 0.004 0.000 0.287 15 V C -0.335 175.298 176.094 -0.770 0.000 1.017 15 V CA -1.067 60.913 62.300 -0.533 0.000 0.844 15 V CB 1.306 32.985 31.823 -0.241 0.000 1.011 15 V HN 0.844 nan 8.190 nan 0.000 0.429 16 E N 4.373 124.110 120.200 -0.772 0.000 2.558 16 E HA -0.052 4.300 4.350 0.004 0.000 0.255 16 E C -0.173 176.303 176.600 -0.206 0.000 0.968 16 E CA 0.259 56.408 56.400 -0.419 0.000 0.939 16 E CB 0.254 29.910 29.700 -0.073 0.000 0.921 16 E HN 0.735 nan 8.360 nan 0.000 0.477 17 D N 3.133 123.455 120.400 -0.129 0.000 2.697 17 D HA -0.249 4.393 4.640 0.004 0.000 0.235 17 D C 0.788 177.036 176.300 -0.086 0.000 1.167 17 D CA 0.846 54.802 54.000 -0.072 0.000 0.656 17 D CB -0.678 40.100 40.800 -0.037 0.000 1.025 17 D HN 0.635 nan 8.370 nan 0.000 0.419 18 R N 0.243 120.675 120.500 -0.114 0.000 2.117 18 R HA -0.053 4.290 4.340 0.004 0.000 0.243 18 R C 1.196 177.461 176.300 -0.059 0.000 1.143 18 R CA 1.806 57.849 56.100 -0.095 0.000 0.968 18 R CB 0.138 30.378 30.300 -0.099 0.000 0.863 18 R HN 0.439 nan 8.270 nan 0.000 0.444 19 G N -1.597 107.176 108.800 -0.045 0.000 2.384 19 G HA2 0.185 4.148 3.960 0.004 0.000 0.300 19 G HA3 0.185 4.148 3.960 0.004 0.000 0.300 19 G C -1.260 173.627 174.900 -0.022 0.000 1.582 19 G CA -0.621 44.460 45.100 -0.031 0.000 0.875 19 G HN 0.073 nan 8.290 nan 0.000 0.628 20 V N 0.817 120.721 119.914 -0.017 0.000 2.539 20 V HA 0.372 4.494 4.120 0.004 0.000 0.300 20 V C 1.819 177.908 176.094 -0.009 0.000 1.019 20 V CA 1.229 63.523 62.300 -0.011 0.000 1.160 20 V CB 0.210 32.028 31.823 -0.009 0.000 0.901 20 V HN 2.654 nan 8.190 nan 0.000 0.481 21 G N 3.552 112.349 108.800 -0.005 0.000 2.153 21 G HA2 -0.237 3.726 3.960 0.004 0.000 0.252 21 G HA3 -0.237 3.726 3.960 0.004 0.000 0.252 21 G C -0.210 174.687 174.900 -0.004 0.000 0.994 21 G CA 0.452 45.551 45.100 -0.003 0.000 0.698 21 G HN 0.665 nan 8.290 nan 0.000 0.521 22 L N -0.232 120.986 121.223 -0.008 0.000 2.333 22 L HA 0.563 4.905 4.340 0.004 0.000 0.269 22 L C 0.209 177.076 176.870 -0.005 0.000 1.010 22 L CA -1.248 53.586 54.840 -0.010 0.000 0.818 22 L CB 1.452 43.499 42.059 -0.021 0.000 1.306 22 L HN -0.039 nan 8.230 nan 0.000 0.430 23 E N 0.949 121.151 120.200 0.002 0.000 2.354 23 E HA 0.032 4.384 4.350 0.004 0.000 0.269 23 E C -0.293 176.308 176.600 0.002 0.000 1.036 23 E CA -0.143 56.266 56.400 0.015 0.000 0.876 23 E CB 1.463 31.180 29.700 0.029 0.000 1.009 23 E HN 0.462 nan 8.360 nan 0.000 0.416 24 D N 0.844 121.251 120.400 0.012 0.000 2.162 24 D HA -0.040 4.602 4.640 0.004 0.000 0.203 24 D C -0.010 176.294 176.300 0.005 0.000 0.967 24 D CA 1.130 55.099 54.000 -0.052 0.000 0.840 24 D CB 0.312 41.105 40.800 -0.010 0.000 0.972 24 D HN 0.215 nan 8.370 nan 0.000 0.482 25 T N 1.638 116.267 114.554 0.124 0.000 2.758 25 T HA 0.544 4.896 4.350 0.004 0.000 0.285 25 T C 0.374 175.136 174.700 0.104 0.000 0.981 25 T CA -0.569 61.632 62.100 0.169 0.000 0.965 25 T CB 1.085 70.082 68.868 0.214 0.000 0.927 25 T HN 0.023 nan 8.240 nan 0.000 0.448 26 I N -0.269 120.360 120.570 0.098 0.000 3.206 26 I HA 0.678 4.850 4.170 0.004 0.000 0.313 26 I C -0.953 175.233 176.117 0.115 0.000 1.103 26 I CA -1.786 59.565 61.300 0.085 0.000 0.985 26 I CB 1.845 39.880 38.000 0.058 0.000 1.240 26 I HN 0.412 nan 8.210 nan 0.000 0.464 27 I N 2.470 123.109 120.570 0.116 0.000 2.291 27 I HA 0.216 4.389 4.170 0.004 0.000 0.290 27 I C 0.147 176.371 176.117 0.178 0.000 1.050 27 I CA 0.069 61.462 61.300 0.154 0.000 1.245 27 I CB 1.226 39.308 38.000 0.137 0.000 1.405 27 I HN 0.562 nan 8.210 nan 0.000 0.478 28 S N 5.249 121.087 115.700 0.231 0.000 2.462 28 S HA 0.728 5.201 4.470 0.004 0.000 0.294 28 S C -0.296 174.491 174.600 0.312 0.000 1.144 28 S CA -0.423 57.895 58.200 0.196 0.000 1.088 28 S CB 0.787 64.074 63.200 0.145 0.000 1.009 28 S HN 0.693 nan 8.310 nan 0.000 0.484 29 S N 4.075 119.910 115.700 0.225 0.000 2.607 29 S HA 0.755 5.227 4.470 0.004 0.000 0.273 29 S C -1.009 173.719 174.600 0.214 0.000 1.148 29 S CA -1.086 57.322 58.200 0.345 0.000 0.833 29 S CB 1.754 65.241 63.200 0.478 0.000 1.130 29 S HN 0.910 nan 8.310 nan 0.000 0.470 30 R N 0.395 121.071 120.500 0.294 0.000 2.584 30 R HA 0.687 5.029 4.340 0.004 0.000 0.276 30 R C -2.334 174.114 176.300 0.247 0.000 1.046 30 R CA -0.873 55.343 56.100 0.194 0.000 0.906 30 R CB 1.561 31.924 30.300 0.105 0.000 1.215 30 R HN 0.750 nan 8.270 nan 0.000 0.449 31 L N 3.632 125.018 121.223 0.271 0.000 2.333 31 L HA 0.601 4.944 4.340 0.004 0.000 0.280 31 L C -1.200 175.658 176.870 -0.021 0.000 1.004 31 L CA -0.287 54.645 54.840 0.154 0.000 0.820 31 L CB 1.550 43.757 42.059 0.247 0.000 1.247 31 L HN 0.709 nan 8.230 nan 0.000 0.416 32 R N 6.084 126.423 120.500 -0.268 0.000 2.439 32 R HA 0.634 4.977 4.340 0.004 0.000 0.310 32 R C -1.663 174.552 176.300 -0.142 0.000 0.955 32 R CA -0.687 55.221 56.100 -0.320 0.000 0.853 32 R CB 1.111 30.976 30.300 -0.724 0.000 1.171 32 R HN 0.655 nan 8.270 nan 0.000 0.449 33 I N 4.153 124.720 120.570 -0.006 0.000 2.389 33 I HA 0.303 4.476 4.170 0.004 0.000 0.288 33 I C -0.668 175.480 176.117 0.051 0.000 0.999 33 I CA -0.924 60.420 61.300 0.073 0.000 1.129 33 I CB 1.595 39.661 38.000 0.110 0.000 1.288 33 I HN 0.595 nan 8.210 nan 0.000 0.444 34 N N 7.326 126.060 118.700 0.056 0.000 2.419 34 N HA 0.523 5.266 4.740 0.004 0.000 0.277 34 N C -0.544 175.015 175.510 0.082 0.000 1.006 34 N CA -0.340 52.749 53.050 0.064 0.000 0.923 34 N CB 2.557 41.072 38.487 0.047 0.000 1.140 34 N HN 0.456 nan 8.380 nan 0.000 0.488 35 I N 1.938 122.558 120.570 0.084 0.000 2.355 35 I HA 0.297 4.470 4.170 0.004 0.000 0.288 35 I C -0.452 175.720 176.117 0.091 0.000 0.999 35 I CA -0.841 60.506 61.300 0.079 0.000 1.163 35 I CB 1.501 39.538 38.000 0.062 0.000 1.316 35 I HN -0.025 nan 8.210 nan 0.000 0.454 36 V N 5.199 125.174 119.914 0.102 0.000 2.444 36 V HA 0.626 4.749 4.120 0.004 0.000 0.294 36 V C 0.444 176.591 176.094 0.088 0.000 1.022 36 V CA -0.530 61.852 62.300 0.136 0.000 0.850 36 V CB 1.651 33.596 31.823 0.204 0.000 0.992 36 V HN 0.863 nan 8.190 nan 0.000 0.426 37 G N 2.677 111.495 108.800 0.030 0.000 2.372 37 G HA2 0.707 4.669 3.960 0.004 0.000 0.323 37 G HA3 0.707 4.669 3.960 0.004 0.000 0.323 37 G C -0.284 174.594 174.900 -0.036 0.000 1.152 37 G CA -0.353 44.750 45.100 0.004 0.000 0.906 37 G HN 0.769 nan 8.290 nan 0.000 0.460 38 T N -1.482 113.079 114.554 0.013 0.000 2.912 38 T HA 0.707 5.060 4.350 0.004 0.000 0.299 38 T C -0.583 174.147 174.700 0.049 0.000 1.052 38 T CA -0.769 61.342 62.100 0.019 0.000 0.996 38 T CB 2.186 71.116 68.868 0.104 0.000 1.070 38 T HN 0.323 nan 8.240 nan 0.000 0.465 39 T N 2.623 117.225 114.554 0.079 0.000 2.864 39 T HA 0.418 4.770 4.350 0.004 0.000 0.299 39 T C -0.483 174.318 174.700 0.169 0.000 1.011 39 T CA -0.660 61.504 62.100 0.107 0.000 0.975 39 T CB 1.058 69.984 68.868 0.097 0.000 0.962 39 T HN 0.682 nan 8.240 nan 0.000 0.448 40 E N 2.069 122.346 120.200 0.129 0.000 2.277 40 E HA 0.567 4.920 4.350 0.004 0.000 0.274 40 E C 0.254 176.932 176.600 0.131 0.000 1.022 40 E CA -0.733 55.745 56.400 0.129 0.000 0.853 40 E CB 1.126 30.886 29.700 0.099 0.000 1.086 40 E HN 0.666 nan 8.360 nan 0.000 0.397 41 T N -1.775 112.861 114.554 0.137 0.000 2.916 41 T HA 0.172 4.524 4.350 0.004 0.000 0.292 41 T C 0.394 175.152 174.700 0.096 0.000 1.064 41 T CA -0.901 61.272 62.100 0.122 0.000 1.011 41 T CB 1.304 70.266 68.868 0.157 0.000 1.152 41 T HN 0.443 nan 8.240 nan 0.000 0.510 42 D N 0.012 120.458 120.400 0.077 0.000 2.348 42 D HA -0.100 4.543 4.640 0.004 0.000 0.216 42 D C 1.439 177.784 176.300 0.076 0.000 0.970 42 D CA 0.546 54.586 54.000 0.067 0.000 0.889 42 D CB -0.140 40.691 40.800 0.052 0.000 0.912 42 D HN 0.508 nan 8.370 nan 0.000 0.524 43 Q N -0.051 119.798 119.800 0.081 0.000 2.444 43 Q HA 0.165 4.508 4.340 0.004 0.000 0.206 43 Q C 1.507 177.594 176.000 0.144 0.000 0.948 43 Q CA 0.826 56.679 55.803 0.083 0.000 0.946 43 Q CB 0.327 29.089 28.738 0.039 0.000 1.027 43 Q HN 0.549 nan 8.270 nan 0.000 0.513 44 G N 0.469 109.361 108.800 0.153 0.000 2.179 44 G HA2 -0.255 3.708 3.960 0.004 0.000 0.260 44 G HA3 -0.255 3.708 3.960 0.004 0.000 0.260 44 G C 0.188 175.245 174.900 0.263 0.000 0.977 44 G CA 0.260 45.486 45.100 0.210 0.000 0.641 44 G HN 0.243 nan 8.290 nan 0.000 0.533 45 V N 1.655 121.661 119.914 0.152 0.000 2.432 45 V HA 0.592 4.714 4.120 0.004 0.000 0.275 45 V C 0.649 176.718 176.094 -0.043 0.000 1.043 45 V CA 0.156 62.468 62.300 0.021 0.000 0.925 45 V CB 1.495 33.234 31.823 -0.140 0.000 0.985 45 V HN 0.263 nan 8.190 nan 0.000 0.466 46 T N 5.946 120.445 114.554 -0.092 0.000 2.824 46 T HA 0.652 5.004 4.350 0.004 0.000 0.280 46 T C -0.652 173.879 174.700 -0.281 0.000 0.995 46 T CA -0.024 62.061 62.100 -0.026 0.000 1.009 46 T CB 0.621 69.555 68.868 0.110 0.000 0.955 46 T HN 0.309 nan 8.240 nan 0.000 0.452 47 F N 1.217 121.151 119.950 -0.026 0.000 2.480 47 F HA 0.727 5.257 4.527 0.005 0.000 0.329 47 F C 0.857 176.409 175.800 -0.413 0.000 1.091 47 F CA -0.496 57.400 58.000 -0.173 0.000 0.972 47 F CB 2.145 41.077 39.000 -0.112 0.000 1.150 47 F HN 0.702 nan 8.300 nan 0.000 0.467 48 G N 0.402 108.715 108.800 -0.812 0.000 2.690 48 G HA2 0.784 4.746 3.960 0.004 0.000 0.291 48 G HA3 0.784 4.746 3.960 0.004 0.000 0.291 48 G C -2.190 171.933 174.900 -1.295 0.000 1.403 48 G CA -0.890 43.412 45.100 -1.329 0.000 0.864 48 G HN 0.875 nan 8.290 nan 0.000 0.480 49 A N 0.274 122.588 122.820 -0.843 0.000 2.515 49 A HA 0.938 5.261 4.320 0.004 0.000 0.298 49 A C -0.663 176.820 177.584 -0.168 0.000 1.059 49 A CA -0.657 51.102 52.037 -0.463 0.000 0.698 49 A CB 2.217 21.053 19.000 -0.272 0.000 1.289 49 A HN 1.296 nan 8.150 nan 0.000 0.404 50 K N 0.637 121.026 120.400 -0.020 0.000 2.508 50 K HA 0.832 5.154 4.320 0.004 0.000 0.260 50 K C -2.149 174.487 176.600 0.060 0.000 0.949 50 K CA -0.633 55.730 56.287 0.125 0.000 0.834 50 K CB 1.958 34.648 32.500 0.317 0.000 1.365 50 K HN 0.728 nan 8.250 nan 0.000 0.437 51 L N 1.547 122.819 121.223 0.082 0.000 2.409 51 L HA 0.601 4.943 4.340 0.004 0.000 0.262 51 L C -1.400 175.536 176.870 0.110 0.000 0.992 51 L CA -0.456 54.431 54.840 0.078 0.000 0.817 51 L CB 2.246 44.329 42.059 0.039 0.000 1.350 51 L HN 0.853 nan 8.230 nan 0.000 0.411 52 R N 4.265 124.836 120.500 0.118 0.000 2.599 52 R HA 0.754 5.097 4.340 0.004 0.000 0.295 52 R C -1.635 174.710 176.300 0.075 0.000 0.963 52 R CA -0.604 55.561 56.100 0.109 0.000 0.883 52 R CB 1.531 31.933 30.300 0.169 0.000 1.171 52 R HN 0.752 nan 8.270 nan 0.000 0.450 53 M N 3.937 123.578 119.600 0.068 0.000 2.046 53 M HA 0.269 4.752 4.480 0.004 0.000 0.309 53 M C -1.046 175.298 176.300 0.073 0.000 0.935 53 M CA -0.377 54.969 55.300 0.076 0.000 0.915 53 M CB 2.081 34.727 32.600 0.077 0.000 1.474 53 M HN 0.518 nan 8.290 nan 0.000 0.415 54 Q N 2.615 122.464 119.800 0.081 0.000 2.337 54 Q HA 0.444 4.787 4.340 0.004 0.000 0.270 54 Q C -2.110 173.975 176.000 0.141 0.000 1.043 54 Q CA -0.618 55.222 55.803 0.062 0.000 0.794 54 Q CB 2.551 31.281 28.738 -0.014 0.000 1.281 54 Q HN 0.746 nan 8.270 nan 0.000 0.446 55 W N 3.794 125.088 121.300 -0.010 0.000 2.587 55 W HA 0.492 5.155 4.660 0.004 0.000 0.324 55 W C -1.506 175.014 176.519 0.002 0.000 1.040 55 W CA -0.237 57.116 57.345 0.013 0.000 1.222 55 W CB 1.503 30.981 29.460 0.031 0.000 1.381 55 W HN 0.642 nan 8.180 nan 0.000 0.483 56 D N 3.673 123.492 120.400 -0.969 0.000 2.575 56 D HA 0.115 4.758 4.640 0.004 0.000 0.236 56 D C -0.650 174.647 176.300 -1.673 0.000 1.075 56 D CA -0.458 52.921 54.000 -1.036 0.000 0.860 56 D CB 1.510 42.006 40.800 -0.506 0.000 1.475 56 D HN 0.375 nan 8.370 nan 0.000 0.474 57 D N 0.875 120.530 120.400 -1.242 0.000 2.472 57 D HA 0.217 4.859 4.640 0.004 0.000 0.237 57 D C 0.967 177.026 176.300 -0.401 0.000 1.141 57 D CA 0.165 53.733 54.000 -0.719 0.000 0.875 57 D CB 1.203 41.899 40.800 -0.174 0.000 1.192 57 D HN 0.660 nan 8.370 nan 0.000 0.450 58 G N 2.232 110.916 108.800 -0.193 0.000 2.213 58 G HA2 -0.240 3.723 3.960 0.004 0.000 0.236 58 G HA3 -0.240 3.723 3.960 0.004 0.000 0.236 58 G C 0.027 174.834 174.900 -0.156 0.000 0.991 58 G CA 0.121 45.139 45.100 -0.136 0.000 0.629 58 G HN 0.673 nan 8.290 nan 0.000 0.517 59 D N 1.556 121.811 120.400 -0.241 0.000 2.472 59 D HA 0.500 5.142 4.640 0.004 0.000 0.237 59 D C 1.070 177.337 176.300 -0.056 0.000 1.141 59 D CA 0.882 54.784 54.000 -0.164 0.000 0.875 59 D CB 0.966 41.663 40.800 -0.172 0.000 1.192 59 D HN 0.840 nan 8.370 nan 0.000 0.450 60 A N 2.260 125.001 122.820 -0.132 0.000 2.540 60 A HA 0.197 4.520 4.320 0.004 0.000 0.239 60 A C 0.309 177.770 177.584 -0.206 0.000 1.061 60 A CA -0.019 51.794 52.037 -0.372 0.000 0.758 60 A CB -0.534 18.099 19.000 -0.612 0.000 0.991 60 A HN 0.620 nan 8.150 nan 0.000 0.502 61 F N -0.340 119.669 119.950 0.098 0.000 2.748 61 F HA -0.267 4.263 4.527 0.004 0.000 0.370 61 F C 1.370 177.238 175.800 0.113 0.000 0.620 61 F CA 1.167 59.220 58.000 0.088 0.000 1.233 61 F CB -2.115 36.926 39.000 0.068 0.000 1.708 61 F HN 2.008 nan 8.300 nan 0.000 0.298 62 A N -0.687 122.298 122.820 0.274 0.000 2.704 62 A HA 0.187 4.509 4.320 0.004 0.000 0.299 62 A C 0.999 178.744 177.584 0.268 0.000 1.507 62 A CA 1.531 53.749 52.037 0.303 0.000 0.776 62 A CB -1.680 17.437 19.000 0.194 0.000 1.027 62 A HN 2.034 nan 8.150 nan 0.000 0.475 63 G N -1.982 107.021 108.800 0.338 0.000 2.680 63 G HA2 0.806 4.768 3.960 0.004 0.000 0.290 63 G HA3 0.806 4.768 3.960 0.004 0.000 0.290 63 G C -0.717 174.381 174.900 0.331 0.000 1.355 63 G CA 0.242 45.491 45.100 0.248 0.000 0.903 63 G HN 0.798 nan 8.290 nan 0.000 0.474 64 T N -0.346 114.338 114.554 0.217 0.000 2.886 64 T HA 0.767 5.120 4.350 0.004 0.000 0.292 64 T C -0.188 174.599 174.700 0.145 0.000 1.012 64 T CA -0.005 62.237 62.100 0.238 0.000 0.982 64 T CB 1.706 70.691 68.868 0.194 0.000 1.018 64 T HN 1.168 nan 8.240 nan 0.000 0.451 65 A N 1.559 124.475 122.820 0.160 0.000 2.530 65 A HA 0.986 5.309 4.320 0.004 0.000 0.288 65 A C 0.227 177.874 177.584 0.105 0.000 1.172 65 A CA -0.684 51.403 52.037 0.083 0.000 0.733 65 A CB 1.086 20.085 19.000 -0.002 0.000 1.320 65 A HN 1.006 nan 8.150 nan 0.000 0.419 66 G N 0.142 108.982 108.800 0.066 0.000 2.537 66 G HA2 0.447 4.410 3.960 0.004 0.000 0.273 66 G HA3 0.447 4.410 3.960 0.004 0.000 0.273 66 G C 0.026 174.968 174.900 0.071 0.000 1.189 66 G CA -0.102 45.036 45.100 0.064 0.000 0.881 66 G HN 0.995 nan 8.290 nan 0.000 0.535 67 N N -0.363 118.363 118.700 0.042 0.000 2.547 67 N HA 0.571 5.314 4.740 0.004 0.000 0.301 67 N C 0.023 175.528 175.510 -0.007 0.000 1.328 67 N CA -0.143 52.907 53.050 0.001 0.000 0.932 67 N CB 0.198 38.628 38.487 -0.095 0.000 1.104 67 N HN 0.627 nan 8.380 nan 0.000 0.548 68 A N -1.141 121.650 122.820 -0.050 0.000 2.304 68 A HA 0.697 5.020 4.320 0.004 0.000 0.301 68 A C 0.236 177.816 177.584 -0.006 0.000 1.132 68 A CA -0.447 51.583 52.037 -0.012 0.000 0.819 68 A CB -0.081 18.911 19.000 -0.014 0.000 1.094 68 A HN 0.915 nan 8.150 nan 0.000 0.492 69 A N 0.953 123.773 122.820 -0.001 0.000 2.346 69 A HA 0.548 4.871 4.320 0.004 0.000 0.252 69 A C 0.203 177.716 177.584 -0.118 0.000 1.089 69 A CA -0.124 51.837 52.037 -0.127 0.000 0.797 69 A CB 0.303 19.101 19.000 -0.337 0.000 1.047 69 A HN 0.908 nan 8.150 nan 0.000 0.494 70 Q N -0.071 119.597 119.800 -0.219 0.000 2.356 70 Q HA 0.637 4.980 4.340 0.004 0.000 0.270 70 Q C -2.065 173.760 176.000 -0.293 0.000 1.058 70 Q CA -0.401 55.394 55.803 -0.014 0.000 0.802 70 Q CB 1.210 30.116 28.738 0.280 0.000 1.303 70 Q HN 0.602 nan 8.270 nan 0.000 0.444 71 F N 2.430 122.542 119.950 0.271 0.000 2.546 71 F HA 0.729 5.258 4.527 0.004 0.000 0.320 71 F C -0.674 175.322 175.800 0.325 0.000 1.076 71 F CA -0.588 57.512 58.000 0.166 0.000 0.928 71 F CB 1.226 40.283 39.000 0.094 0.000 1.189 71 F HN 0.619 nan 8.300 nan 0.000 0.465 72 W N -0.182 121.289 121.300 0.286 0.000 3.075 72 W HA 0.832 5.495 4.660 0.005 0.000 0.334 72 W C -2.150 174.439 176.519 0.117 0.000 1.243 72 W CA -1.204 56.248 57.345 0.177 0.000 1.170 72 W CB 1.268 30.793 29.460 0.109 0.000 1.452 72 W HN 0.407 nan 8.180 nan 0.000 0.572 73 T N 2.215 116.928 114.554 0.265 0.000 2.928 73 T HA 0.593 4.946 4.350 0.004 0.000 0.296 73 T C -1.085 173.681 174.700 0.110 0.000 1.000 73 T CA -0.682 61.388 62.100 -0.050 0.000 0.989 73 T CB 1.441 70.213 68.868 -0.160 0.000 1.005 73 T HN 0.460 nan 8.240 nan 0.000 0.442 74 S N 2.349 118.102 115.700 0.088 0.000 2.500 74 S HA 0.751 5.224 4.470 0.004 0.000 0.301 74 S C -1.624 173.063 174.600 0.144 0.000 1.092 74 S CA -0.773 57.510 58.200 0.138 0.000 1.030 74 S CB 1.319 64.623 63.200 0.173 0.000 1.031 74 S HN 0.707 nan 8.310 nan 0.000 0.483 75 Y N 2.208 122.503 120.300 -0.009 0.000 2.313 75 Y HA 0.331 4.884 4.550 0.005 0.000 0.320 75 Y C -0.407 175.500 175.900 0.012 0.000 1.171 75 Y CA -0.845 57.247 58.100 -0.013 0.000 1.093 75 Y CB 0.545 38.983 38.460 -0.036 0.000 1.224 75 Y HN 0.828 nan 8.280 nan 0.000 0.421 76 N N 4.366 122.797 118.700 -0.448 0.000 2.714 76 N HA -0.155 4.587 4.740 0.004 0.000 0.253 76 N C 0.910 176.362 175.510 -0.097 0.000 1.024 76 N CA 2.142 54.963 53.050 -0.381 0.000 0.726 76 N CB -0.916 37.168 38.487 -0.672 0.000 0.908 76 N HN 1.542 nan 8.380 nan 0.000 0.542 77 G N -2.854 105.941 108.800 -0.008 0.000 2.205 77 G HA2 -0.314 3.649 3.960 0.004 0.000 0.261 77 G HA3 -0.314 3.649 3.960 0.004 0.000 0.261 77 G C 0.126 175.145 174.900 0.199 0.000 0.980 77 G CA 0.357 45.517 45.100 0.100 0.000 0.632 77 G HN 0.585 nan 8.290 nan 0.000 0.533 78 V N 1.346 121.329 119.914 0.115 0.000 2.427 78 V HA 0.705 4.828 4.120 0.004 0.000 0.286 78 V C 0.256 176.402 176.094 0.087 0.000 1.034 78 V CA 0.056 62.408 62.300 0.086 0.000 0.893 78 V CB 1.765 33.571 31.823 -0.030 0.000 0.982 78 V HN 0.266 nan 8.190 nan 0.000 0.452 79 T N 4.104 118.710 114.554 0.086 0.000 2.840 79 T HA 0.545 4.898 4.350 0.004 0.000 0.287 79 T C -0.506 174.265 174.700 0.118 0.000 0.991 79 T CA -0.372 61.787 62.100 0.098 0.000 0.964 79 T CB 1.580 70.472 68.868 0.040 0.000 0.954 79 T HN 0.346 nan 8.240 nan 0.000 0.438 80 V N 3.829 123.836 119.914 0.155 0.000 2.435 80 V HA 0.709 4.832 4.120 0.004 0.000 0.290 80 V C 0.137 176.379 176.094 0.245 0.000 1.030 80 V CA -0.750 61.650 62.300 0.167 0.000 0.881 80 V CB 1.587 33.491 31.823 0.134 0.000 0.983 80 V HN 1.055 nan 8.190 nan 0.000 0.445 81 S N 3.708 119.558 115.700 0.249 0.000 2.568 81 S HA 0.925 5.398 4.470 0.004 0.000 0.293 81 S C -0.950 173.825 174.600 0.291 0.000 1.089 81 S CA -0.785 57.607 58.200 0.319 0.000 0.945 81 S CB 2.175 65.562 63.200 0.312 0.000 1.077 81 S HN 0.427 nan 8.310 nan 0.000 0.485 82 V N 1.089 121.213 119.914 0.350 0.000 2.925 82 V HA 0.885 5.008 4.120 0.004 0.000 0.311 82 V C 0.890 177.225 176.094 0.402 0.000 1.104 82 V CA 0.355 62.850 62.300 0.325 0.000 0.954 82 V CB 1.078 33.070 31.823 0.282 0.000 1.022 82 V HN 1.646 nan 8.190 nan 0.000 0.427 83 G N 3.771 112.760 108.800 0.315 0.000 2.848 83 G HA2 -0.220 3.742 3.960 0.004 0.000 0.246 83 G HA3 -0.220 3.742 3.960 0.004 0.000 0.246 83 G C 0.019 175.085 174.900 0.277 0.000 1.374 83 G CA 0.315 45.602 45.100 0.312 0.000 0.982 83 G HN 0.969 nan 8.290 nan 0.000 0.563 84 N N 1.698 120.562 118.700 0.273 0.000 2.868 84 N HA 0.447 5.190 4.740 0.004 0.000 0.252 84 N C 0.519 176.255 175.510 0.376 0.000 1.130 84 N CA 0.450 53.662 53.050 0.269 0.000 1.026 84 N CB 0.168 38.702 38.487 0.079 0.000 1.335 84 N HN 1.266 nan 8.380 nan 0.000 0.516 85 V N -0.192 119.930 119.914 0.348 0.000 2.904 85 V HA 0.473 4.596 4.120 0.004 0.000 0.305 85 V C 0.371 176.670 176.094 0.342 0.000 1.067 85 V CA -0.872 61.620 62.300 0.321 0.000 1.044 85 V CB 1.041 33.011 31.823 0.245 0.000 1.050 85 V HN 0.304 nan 8.190 nan 0.000 0.475 86 D N 2.472 123.018 120.400 0.242 0.000 2.351 86 D HA 0.325 4.968 4.640 0.004 0.000 0.251 86 D C 0.515 176.931 176.300 0.193 0.000 1.137 86 D CA 0.383 54.498 54.000 0.191 0.000 0.879 86 D CB 1.601 42.443 40.800 0.071 0.000 1.181 86 D HN 1.003 nan 8.370 nan 0.000 0.448 87 T N -1.529 113.151 114.554 0.209 0.000 2.934 87 T HA 0.514 4.866 4.350 0.004 0.000 0.283 87 T C 1.281 176.049 174.700 0.114 0.000 1.005 87 T CA -0.704 61.510 62.100 0.191 0.000 1.041 87 T CB 1.840 70.867 68.868 0.265 0.000 1.042 87 T HN 0.235 nan 8.240 nan 0.000 0.505 88 A N 0.960 123.831 122.820 0.086 0.000 1.902 88 A HA 0.031 4.354 4.320 0.004 0.000 0.217 88 A C 1.841 179.386 177.584 -0.064 0.000 1.181 88 A CA 1.174 53.215 52.037 0.008 0.000 0.623 88 A CB -1.185 17.844 19.000 0.050 0.000 0.818 88 A HN 0.850 nan 8.150 nan 0.000 0.443 89 F N 0.408 120.252 119.950 -0.176 0.000 2.325 89 F HA -0.069 4.461 4.527 0.005 0.000 0.299 89 F C 1.705 177.296 175.800 -0.349 0.000 1.090 89 F CA 1.701 59.501 58.000 -0.333 0.000 1.392 89 F CB -0.064 38.588 39.000 -0.581 0.000 1.053 89 F HN 0.359 nan 8.300 nan 0.000 0.521 90 D N -1.526 118.896 120.400 0.037 0.000 2.333 90 D HA -0.030 4.613 4.640 0.004 0.000 0.208 90 D C 1.779 178.103 176.300 0.040 0.000 0.984 90 D CA 0.903 55.011 54.000 0.180 0.000 0.873 90 D CB 0.220 41.269 40.800 0.415 0.000 0.935 90 D HN 0.115 nan 8.370 nan 0.000 0.521 91 S N -0.551 115.044 115.700 -0.174 0.000 2.502 91 S HA 0.102 4.574 4.470 0.004 0.000 0.215 91 S C 0.685 174.942 174.600 -0.571 0.000 1.009 91 S CA -0.166 57.854 58.200 -0.301 0.000 0.908 91 S CB 0.439 63.448 63.200 -0.320 0.000 0.801 91 S HN 0.215 nan 8.310 nan 0.000 0.505 92 V N 1.579 121.080 119.914 -0.689 0.000 3.178 92 V HA 0.488 4.611 4.120 0.004 0.000 0.306 92 V C 0.694 176.657 176.094 -0.219 0.000 1.107 92 V CA -0.974 61.021 62.300 -0.508 0.000 1.195 92 V CB -0.498 31.198 31.823 -0.212 0.000 0.993 92 V HN 0.317 nan 8.190 nan 0.000 0.493 93 A N 2.806 125.606 122.820 -0.034 0.000 2.313 93 A HA 0.683 5.005 4.320 0.004 0.000 0.261 93 A C 1.016 178.626 177.584 0.043 0.000 1.090 93 A CA 0.093 52.136 52.037 0.010 0.000 0.807 93 A CB -0.016 19.023 19.000 0.065 0.000 1.055 93 A HN 1.609 nan 8.150 nan 0.000 0.492 94 L N -1.265 119.976 121.223 0.031 0.000 4.235 94 L HA -0.282 4.060 4.340 0.004 0.000 0.385 94 L C 1.926 178.751 176.870 -0.074 0.000 0.733 94 L CA 1.545 56.436 54.840 0.086 0.000 2.629 94 L CB -1.910 40.307 42.059 0.264 0.000 1.001 94 L HN 0.853 nan 8.230 nan 0.000 0.662 95 T N -1.272 113.055 114.554 -0.378 0.000 2.929 95 T HA -0.092 4.261 4.350 0.004 0.000 0.271 95 T C 1.020 175.293 174.700 -0.710 0.000 1.085 95 T CA 1.819 63.394 62.100 -0.875 0.000 1.125 95 T CB -0.168 67.763 68.868 -1.563 0.000 0.874 95 T HN 0.421 nan 8.240 nan 0.000 0.494 96 Y N 0.402 120.544 120.300 -0.263 0.000 2.584 96 Y HA 0.359 4.911 4.550 0.004 0.000 0.254 96 Y C 1.202 176.931 175.900 -0.286 0.000 1.177 96 Y CA -1.161 56.790 58.100 -0.249 0.000 1.216 96 Y CB 0.216 38.558 38.460 -0.197 0.000 1.172 96 Y HN 0.156 nan 8.280 nan 0.000 0.529 97 D N -0.730 119.516 120.400 -0.256 0.000 2.378 97 D HA -0.084 4.558 4.640 0.004 0.000 0.227 97 D C 1.834 177.755 176.300 -0.632 0.000 1.012 97 D CA 0.951 54.730 54.000 -0.369 0.000 0.905 97 D CB -0.009 40.619 40.800 -0.287 0.000 0.895 97 D HN 0.311 nan 8.370 nan 0.000 0.532 98 S N -0.906 114.413 115.700 -0.634 0.000 2.548 98 S HA 0.049 4.521 4.470 0.004 0.000 0.215 98 S C 0.744 175.216 174.600 -0.213 0.000 0.976 98 S CA -0.418 57.524 58.200 -0.429 0.000 0.908 98 S CB 0.132 63.100 63.200 -0.387 0.000 0.781 98 S HN 0.092 nan 8.310 nan 0.000 0.519 99 E N 1.582 121.661 120.200 -0.202 0.000 2.437 99 E HA 0.309 4.662 4.350 0.004 0.000 0.263 99 E C 0.088 176.653 176.600 -0.059 0.000 1.030 99 E CA 0.506 56.820 56.400 -0.144 0.000 0.934 99 E CB 0.308 29.922 29.700 -0.144 0.000 0.943 99 E HN 0.648 nan 8.360 nan 0.000 0.444 100 M N -0.640 118.944 119.600 -0.027 0.000 2.924 100 M HA 0.690 5.173 4.480 0.004 0.000 0.271 100 M C -0.067 176.233 176.300 -0.001 0.000 1.280 100 M CA -0.608 54.707 55.300 0.025 0.000 0.813 100 M CB 1.513 34.183 32.600 0.116 0.000 1.658 100 M HN 0.599 nan 8.290 nan 0.000 0.467 101 G N 0.217 109.039 108.800 0.036 0.000 2.829 101 G HA2 -0.267 3.695 3.960 0.004 0.000 0.628 101 G HA3 -0.267 3.695 3.960 0.004 0.000 0.628 101 G C -0.543 174.379 174.900 0.037 0.000 1.412 101 G CA 0.383 45.514 45.100 0.052 0.000 0.864 101 G HN 1.800 nan 8.290 nan 0.000 0.544 102 Y N -1.119 119.158 120.300 -0.039 0.000 2.571 102 Y HA 0.325 4.877 4.550 0.004 0.000 0.294 102 Y C 1.792 177.643 175.900 -0.082 0.000 1.141 102 Y CA 1.802 59.864 58.100 -0.065 0.000 1.308 102 Y CB 0.172 38.596 38.460 -0.060 0.000 1.002 102 Y HN 0.548 nan 8.280 nan 0.000 0.551 103 E N 1.025 120.895 120.200 -0.549 0.000 2.499 103 E HA 0.375 4.728 4.350 0.004 0.000 0.199 103 E C 0.541 176.962 176.600 -0.298 0.000 1.016 103 E CA 0.134 56.232 56.400 -0.503 0.000 0.933 103 E CB 0.288 29.644 29.700 -0.573 0.000 1.050 103 E HN 0.456 nan 8.360 nan 0.000 0.462 104 A N 1.991 124.677 122.820 -0.224 0.000 2.312 104 A HA -0.193 4.130 4.320 0.004 0.000 0.286 104 A C 0.415 177.872 177.584 -0.212 0.000 1.425 104 A CA 0.891 52.815 52.037 -0.189 0.000 0.748 104 A CB -1.990 16.889 19.000 -0.202 0.000 1.126 104 A HN 0.350 nan 8.150 nan 0.000 0.368 105 S N -0.725 114.851 115.700 -0.206 0.000 2.648 105 S HA 0.924 5.396 4.470 0.004 0.000 0.305 105 S C -0.216 174.237 174.600 -0.246 0.000 1.094 105 S CA 0.044 58.094 58.200 -0.250 0.000 0.983 105 S CB 2.167 65.192 63.200 -0.293 0.000 1.101 105 S HN 2.050 nan 8.310 nan 0.000 0.514 106 S N 0.034 115.534 115.700 -0.333 0.000 2.570 106 S HA 0.469 4.941 4.470 0.004 0.000 0.286 106 S C -0.711 173.651 174.600 -0.396 0.000 1.143 106 S CA -0.689 57.264 58.200 -0.413 0.000 0.921 106 S CB 0.264 63.141 63.200 -0.539 0.000 1.108 106 S HN 0.559 nan 8.310 nan 0.000 0.456 107 F N 2.863 122.721 119.950 -0.152 0.000 2.502 107 F HA 0.198 4.727 4.527 0.004 0.000 0.298 107 F C 2.390 178.166 175.800 -0.040 0.000 1.111 107 F CA 1.149 59.092 58.000 -0.096 0.000 1.445 107 F CB -0.169 38.664 39.000 -0.278 0.000 1.081 107 F HN 0.756 nan 8.300 nan 0.000 0.558 108 G N -1.171 107.523 108.800 -0.177 0.000 2.848 108 G HA2 -0.094 3.869 3.960 0.004 0.000 0.208 108 G HA3 -0.094 3.869 3.960 0.004 0.000 0.208 108 G C 0.330 175.196 174.900 -0.058 0.000 1.152 108 G CA -0.024 45.026 45.100 -0.084 0.000 0.789 108 G HN 0.089 nan 8.290 nan 0.000 0.531 109 D N 0.607 120.937 120.400 -0.116 0.000 2.357 109 D HA 0.449 5.091 4.640 0.004 0.000 0.242 109 D C 0.786 176.943 176.300 -0.238 0.000 1.153 109 D CA -0.088 53.838 54.000 -0.124 0.000 0.918 109 D CB 1.198 41.986 40.800 -0.019 0.000 1.181 109 D HN 0.191 nan 8.370 nan 0.000 0.435 110 A N 1.722 124.206 122.820 -0.561 0.000 2.565 110 A HA -0.046 4.277 4.320 0.004 0.000 0.237 110 A C 0.596 178.050 177.584 -0.218 0.000 1.053 110 A CA 0.180 51.765 52.037 -0.754 0.000 0.755 110 A CB 0.119 18.636 19.000 -0.805 0.000 0.980 110 A HN 0.365 nan 8.150 nan 0.000 0.506 111 Q N 1.410 121.101 119.800 -0.182 0.000 2.296 111 Q HA 0.144 4.487 4.340 0.004 0.000 0.273 111 Q C 0.096 176.059 176.000 -0.062 0.000 0.900 111 Q CA 0.301 56.060 55.803 -0.073 0.000 0.993 111 Q CB -0.297 28.385 28.738 -0.095 0.000 1.132 111 Q HN 0.843 nan 8.270 nan 0.000 0.439 112 S N -1.514 114.184 115.700 -0.004 0.000 2.726 112 S HA 0.679 5.152 4.470 0.004 0.000 0.308 112 S C 0.011 174.612 174.600 0.002 0.000 1.115 112 S CA -0.764 57.433 58.200 -0.006 0.000 0.965 112 S CB 1.928 65.109 63.200 -0.032 0.000 1.145 112 S HN -0.004 nan 8.310 nan 0.000 0.532 113 S N 1.186 116.843 115.700 -0.072 0.000 2.451 113 S HA 0.834 5.307 4.470 0.004 0.000 0.301 113 S C -1.014 173.494 174.600 -0.153 0.000 1.116 113 S CA -0.673 57.401 58.200 -0.210 0.000 1.093 113 S CB -0.053 63.028 63.200 -0.198 0.000 1.017 113 S HN 0.672 nan 8.310 nan 0.000 0.482 114 F N -0.070 119.728 119.950 -0.254 0.000 2.678 114 F HA 0.693 5.222 4.527 0.004 0.000 0.308 114 F C -1.465 174.246 175.800 -0.149 0.000 1.118 114 F CA -1.740 56.070 58.000 -0.317 0.000 0.959 114 F CB 0.311 39.111 39.000 -0.334 0.000 1.305 114 F HN 0.270 nan 8.300 nan 0.000 0.443 115 F N 2.325 122.376 119.950 0.168 0.000 2.450 115 F HA 0.599 5.128 4.527 0.004 0.000 0.339 115 F C 0.425 176.375 175.800 0.250 0.000 1.146 115 F CA -0.656 57.439 58.000 0.158 0.000 1.267 115 F CB 0.959 40.086 39.000 0.212 0.000 1.178 115 F HN 0.680 nan 8.300 nan 0.000 0.585 116 K N 0.919 121.559 120.400 0.400 0.000 2.578 116 K HA 0.308 4.631 4.320 0.004 0.000 0.287 116 K C -1.631 175.121 176.600 0.252 0.000 1.010 116 K CA -1.111 55.374 56.287 0.329 0.000 0.889 116 K CB 0.997 33.660 32.500 0.271 0.000 1.514 116 K HN 0.367 nan 8.250 nan 0.000 0.424 117 Y N 2.117 122.490 120.300 0.122 0.000 2.895 117 Y HA -0.046 4.507 4.550 0.005 0.000 0.334 117 Y C -0.555 175.341 175.900 -0.007 0.000 1.261 117 Y CA 0.641 58.780 58.100 0.066 0.000 1.560 117 Y CB 0.297 38.784 38.460 0.046 0.000 1.253 117 Y HN 0.472 nan 8.280 nan 0.000 0.582 118 N N 4.808 123.147 118.700 -0.603 0.000 2.439 118 N HA 0.068 4.810 4.740 0.004 0.000 0.249 118 N C 0.402 175.529 175.510 -0.638 0.000 1.003 118 N CA -0.055 52.690 53.050 -0.509 0.000 0.942 118 N CB 1.677 39.874 38.487 -0.484 0.000 1.115 118 N HN 0.645 nan 8.380 nan 0.000 0.505 119 S N 1.698 117.186 115.700 -0.352 0.000 2.453 119 S HA 0.018 4.490 4.470 0.004 0.000 0.231 119 S C 0.541 175.045 174.600 -0.161 0.000 1.005 119 S CA 1.077 59.162 58.200 -0.192 0.000 0.949 119 S CB 0.305 63.472 63.200 -0.056 0.000 0.774 119 S HN 0.502 nan 8.310 nan 0.000 0.510 120 K N -0.344 119.934 120.400 -0.203 0.000 2.469 120 K HA 0.384 4.707 4.320 0.004 0.000 0.268 120 K C -0.964 175.539 176.600 -0.162 0.000 1.027 120 K CA -1.011 55.185 56.287 -0.152 0.000 0.893 120 K CB 1.045 33.396 32.500 -0.249 0.000 1.460 120 K HN 0.163 nan 8.250 nan 0.000 0.449 121 Y N -0.657 119.593 120.300 -0.082 0.000 2.335 121 Y HA 0.297 4.850 4.550 0.004 0.000 0.348 121 Y C -0.186 175.666 175.900 -0.079 0.000 1.280 121 Y CA -0.362 57.694 58.100 -0.073 0.000 1.504 121 Y CB 0.439 38.882 38.460 -0.027 0.000 1.366 121 Y HN 0.370 nan 8.280 nan 0.000 0.621 122 D N 0.743 121.159 120.400 0.027 0.000 2.542 122 D HA 0.354 4.997 4.640 0.004 0.000 0.252 122 D C 0.244 176.616 176.300 0.121 0.000 1.222 122 D CA -0.292 53.656 54.000 -0.087 0.000 0.895 122 D CB 1.694 42.424 40.800 -0.118 0.000 1.207 122 D HN 0.852 nan 8.370 nan 0.000 0.558 123 A N 2.744 125.670 122.820 0.176 0.000 2.070 123 A HA -0.123 4.200 4.320 0.004 0.000 0.220 123 A C 1.989 179.640 177.584 0.112 0.000 1.159 123 A CA 1.743 53.927 52.037 0.246 0.000 0.656 123 A CB -0.378 18.798 19.000 0.293 0.000 0.800 123 A HN 0.594 nan 8.150 nan 0.000 0.453 124 S N -1.567 114.163 115.700 0.051 0.000 2.447 124 S HA 0.248 4.721 4.470 0.004 0.000 0.233 124 S C 1.623 176.241 174.600 0.030 0.000 1.006 124 S CA 1.386 59.603 58.200 0.029 0.000 0.957 124 S CB -0.537 62.664 63.200 0.002 0.000 0.773 124 S HN 1.937 nan 8.310 nan 0.000 0.507 125 G N 0.408 109.228 108.800 0.034 0.000 2.176 125 G HA2 -0.211 3.752 3.960 0.004 0.000 0.253 125 G HA3 -0.211 3.752 3.960 0.004 0.000 0.253 125 G C 0.968 175.879 174.900 0.018 0.000 0.979 125 G CA 0.309 45.427 45.100 0.029 0.000 0.641 125 G HN 1.269 nan 8.290 nan 0.000 0.530 126 A N -0.214 122.609 122.820 0.006 0.000 2.015 126 A HA 0.392 4.715 4.320 0.004 0.000 0.219 126 A C 2.127 179.709 177.584 -0.003 0.000 1.163 126 A CA 1.654 53.695 52.037 0.007 0.000 0.646 126 A CB -0.209 18.793 19.000 0.004 0.000 0.806 126 A HN 0.857 nan 8.150 nan 0.000 0.448 127 L N -0.551 120.643 121.223 -0.049 0.000 2.628 127 L HA 0.057 4.400 4.340 0.004 0.000 0.229 127 L C 0.903 177.771 176.870 -0.003 0.000 1.137 127 L CA -0.121 54.665 54.840 -0.090 0.000 0.909 127 L CB -0.178 41.723 42.059 -0.262 0.000 1.137 127 L HN 0.161 nan 8.230 nan 0.000 0.470 128 D N 0.819 121.231 120.400 0.021 0.000 2.182 128 D HA -0.149 4.494 4.640 0.004 0.000 0.201 128 D C 1.262 177.597 176.300 0.058 0.000 0.986 128 D CA 1.281 55.302 54.000 0.036 0.000 0.847 128 D CB 0.059 40.878 40.800 0.032 0.000 0.942 128 D HN 0.231 nan 8.370 nan 0.000 0.467 129 N N -0.614 118.129 118.700 0.072 0.000 2.282 129 N HA -0.031 4.712 4.740 0.004 0.000 0.240 129 N C -0.554 175.012 175.510 0.094 0.000 1.182 129 N CA -0.311 52.783 53.050 0.074 0.000 0.874 129 N CB 0.583 39.100 38.487 0.050 0.000 1.126 129 N HN 0.192 nan 8.380 nan 0.000 0.516 130 Y N 2.074 122.340 120.300 -0.057 0.000 2.442 130 Y HA 0.239 4.792 4.550 0.004 0.000 0.330 130 Y C -0.371 175.488 175.900 -0.069 0.000 1.129 130 Y CA -0.093 57.938 58.100 -0.115 0.000 1.365 130 Y CB 0.228 38.577 38.460 -0.184 0.000 1.233 130 Y HN -0.031 nan 8.280 nan 0.000 0.529 131 N N 3.473 122.030 118.700 -0.239 0.000 2.369 131 N HA 0.633 5.376 4.740 0.004 0.000 0.287 131 N C -1.061 174.313 175.510 -0.228 0.000 1.067 131 N CA -0.241 52.751 53.050 -0.097 0.000 0.888 131 N CB 1.782 40.279 38.487 0.016 0.000 1.616 131 N HN 0.906 nan 8.380 nan 0.000 0.482 132 G N 1.412 110.163 108.800 -0.083 0.000 2.630 132 G HA2 0.717 4.680 3.960 0.004 0.000 0.296 132 G HA3 0.717 4.680 3.960 0.004 0.000 0.296 132 G C -1.359 173.636 174.900 0.158 0.000 1.285 132 G CA -0.423 44.659 45.100 -0.031 0.000 0.958 132 G HN 0.442 nan 8.290 nan 0.000 0.479 133 I N 0.296 121.010 120.570 0.241 0.000 2.582 133 I HA 0.678 4.850 4.170 0.004 0.000 0.292 133 I C -0.027 176.233 176.117 0.238 0.000 1.066 133 I CA -0.893 60.555 61.300 0.247 0.000 1.053 133 I CB 1.301 39.453 38.000 0.252 0.000 1.241 133 I HN 0.713 nan 8.210 nan 0.000 0.421 134 A N 5.546 128.493 122.820 0.212 0.000 2.515 134 A HA 0.912 5.235 4.320 0.004 0.000 0.296 134 A C -1.381 176.307 177.584 0.174 0.000 1.094 134 A CA -0.557 51.597 52.037 0.196 0.000 0.718 134 A CB 2.171 21.285 19.000 0.189 0.000 1.307 134 A HN 0.374 nan 8.150 nan 0.000 0.408 135 V N 1.347 121.358 119.914 0.160 0.000 2.623 135 V HA 0.709 4.832 4.120 0.004 0.000 0.304 135 V C 0.030 176.195 176.094 0.117 0.000 1.054 135 V CA -0.095 62.283 62.300 0.130 0.000 0.882 135 V CB 1.757 33.650 31.823 0.117 0.000 1.002 135 V HN 1.244 nan 8.190 nan 0.000 0.424 136 T N 1.029 115.634 114.554 0.085 0.000 2.924 136 T HA 0.818 5.170 4.350 0.004 0.000 0.291 136 T C -1.385 173.370 174.700 0.091 0.000 1.045 136 T CA -0.814 61.294 62.100 0.014 0.000 1.015 136 T CB 2.391 71.228 68.868 -0.051 0.000 1.103 136 T HN 0.667 nan 8.240 nan 0.000 0.496 137 Y N 0.537 120.738 120.300 -0.165 0.000 2.348 137 Y HA 0.501 5.054 4.550 0.005 0.000 0.321 137 Y C -1.167 174.640 175.900 -0.154 0.000 1.163 137 Y CA -1.379 56.649 58.100 -0.120 0.000 1.070 137 Y CB 1.964 40.383 38.460 -0.068 0.000 1.250 137 Y HN 0.812 nan 8.280 nan 0.000 0.425 138 S N 7.637 123.085 115.700 -0.420 0.000 2.592 138 S HA 0.368 4.841 4.470 0.004 0.000 0.305 138 S C -0.070 174.102 174.600 -0.714 0.000 1.118 138 S CA -0.519 57.408 58.200 -0.456 0.000 1.075 138 S CB -0.328 62.729 63.200 -0.239 0.000 1.107 138 S HN 0.594 nan 8.310 nan 0.000 0.503 139 I N 2.833 122.888 120.570 -0.858 0.000 2.282 139 I HA 0.334 4.506 4.170 0.004 0.000 0.290 139 I C -0.180 175.792 176.117 -0.243 0.000 1.090 139 I CA 0.470 61.378 61.300 -0.654 0.000 1.231 139 I CB -0.746 36.924 38.000 -0.549 0.000 1.434 139 I HN 0.589 nan 8.210 nan 0.000 0.487 140 S N 4.084 119.689 115.700 -0.158 0.000 3.701 140 S HA -0.183 4.290 4.470 0.004 0.000 0.633 140 S C 0.935 175.512 174.600 -0.038 0.000 2.263 140 S CA 0.293 58.463 58.200 -0.051 0.000 2.658 140 S CB -1.302 61.904 63.200 0.009 0.000 0.323 140 S HN 0.941 nan 8.310 nan 0.000 1.605 141 G N 0.393 109.217 108.800 0.040 0.000 2.956 141 G HA2 0.368 4.331 3.960 0.004 0.000 0.207 141 G HA3 0.368 4.331 3.960 0.004 0.000 0.207 141 G C 0.207 175.136 174.900 0.048 0.000 1.162 141 G CA 0.656 45.752 45.100 -0.006 0.000 0.796 141 G HN 0.654 nan 8.290 nan 0.000 0.527 142 V N 1.523 121.498 119.914 0.102 0.000 2.583 142 V HA 0.259 4.382 4.120 0.004 0.000 0.287 142 V C -0.425 175.631 176.094 -0.064 0.000 1.051 142 V CA -0.783 61.575 62.300 0.097 0.000 1.010 142 V CB 1.262 33.120 31.823 0.059 0.000 0.988 142 V HN 0.217 nan 8.190 nan 0.000 0.478 143 N N 4.684 123.355 118.700 -0.049 0.000 2.296 143 N HA 0.611 5.354 4.740 0.004 0.000 0.294 143 N C -1.191 174.174 175.510 -0.241 0.000 1.033 143 N CA -0.459 52.457 53.050 -0.223 0.000 0.839 143 N CB 2.499 40.847 38.487 -0.232 0.000 1.395 143 N HN 0.473 nan 8.380 nan 0.000 0.479 144 L N 1.862 122.875 121.223 -0.350 0.000 2.346 144 L HA 0.602 4.944 4.340 0.004 0.000 0.276 144 L C -1.184 175.467 176.870 -0.366 0.000 1.006 144 L CA -0.961 53.776 54.840 -0.173 0.000 0.817 144 L CB 0.836 42.911 42.059 0.027 0.000 1.272 144 L HN 0.375 nan 8.230 nan 0.000 0.421 145 Y N 2.760 123.109 120.300 0.082 0.000 2.442 145 Y HA 0.750 5.303 4.550 0.004 0.000 0.344 145 Y C -0.667 175.265 175.900 0.053 0.000 0.976 145 Y CA -0.969 57.173 58.100 0.070 0.000 1.040 145 Y CB 1.852 40.343 38.460 0.053 0.000 1.228 145 Y HN 0.324 nan 8.280 nan 0.000 0.451 146 L N 2.948 124.289 121.223 0.198 0.000 2.431 146 L HA 0.824 5.167 4.340 0.004 0.000 0.266 146 L C -0.718 176.209 176.870 0.096 0.000 0.978 146 L CA -0.296 54.600 54.840 0.093 0.000 0.822 146 L CB 2.468 44.616 42.059 0.148 0.000 1.310 146 L HN 0.783 nan 8.230 nan 0.000 0.409 147 S N 1.407 117.098 115.700 -0.014 0.000 2.546 147 S HA 0.693 5.165 4.470 0.004 0.000 0.274 147 S C -1.507 173.190 174.600 0.162 0.000 1.121 147 S CA -0.767 57.496 58.200 0.105 0.000 0.887 147 S CB 1.708 64.978 63.200 0.116 0.000 1.094 147 S HN 0.484 nan 8.310 nan 0.000 0.474 148 Y N 1.763 122.146 120.300 0.139 0.000 2.346 148 Y HA 0.677 5.230 4.550 0.004 0.000 0.332 148 Y C -1.778 174.180 175.900 0.096 0.000 0.985 148 Y CA -0.778 57.443 58.100 0.203 0.000 1.112 148 Y CB 1.455 40.071 38.460 0.260 0.000 1.170 148 Y HN 0.710 nan 8.280 nan 0.000 0.447 149 V N 6.027 125.690 119.914 -0.418 0.000 2.444 149 V HA 0.283 4.406 4.120 0.004 0.000 0.294 149 V C -1.066 174.623 176.094 -0.674 0.000 1.022 149 V CA -0.771 61.227 62.300 -0.504 0.000 0.850 149 V CB 1.652 33.296 31.823 -0.299 0.000 0.992 149 V HN 0.744 nan 8.190 nan 0.000 0.426 150 D N 7.005 127.003 120.400 -0.670 0.000 2.392 150 D HA 0.396 5.039 4.640 0.004 0.000 0.228 150 D C -1.637 174.427 176.300 -0.394 0.000 1.074 150 D CA -2.148 51.596 54.000 -0.427 0.000 0.838 150 D CB 2.569 43.227 40.800 -0.236 0.000 1.067 150 D HN 0.198 nan 8.370 nan 0.000 0.511 151 P HA -0.002 nan 4.420 nan 0.000 0.222 151 P C -0.120 177.167 177.300 -0.022 0.000 1.147 151 P CA 0.825 63.843 63.100 -0.136 0.000 0.790 151 P CB 0.474 32.213 31.700 0.065 0.000 0.780 152 D N -0.530 119.855 120.400 -0.025 0.000 2.411 152 D HA 0.020 4.663 4.640 0.004 0.000 0.239 152 D C 0.972 177.278 176.300 0.010 0.000 1.307 152 D CA -0.160 53.847 54.000 0.012 0.000 0.930 152 D CB 0.523 41.342 40.800 0.031 0.000 1.395 152 D HN -0.002 nan 8.370 nan 0.000 0.536 153 Q N 0.732 120.537 119.800 0.008 0.000 2.364 153 Q HA -0.120 4.223 4.340 0.004 0.000 0.207 153 Q C 1.114 177.135 176.000 0.035 0.000 0.970 153 Q CA 1.760 57.579 55.803 0.027 0.000 0.888 153 Q CB -0.195 28.564 28.738 0.035 0.000 0.951 153 Q HN 0.324 nan 8.270 nan 0.000 0.469 154 T N -2.450 112.123 114.554 0.031 0.000 3.014 154 T HA 0.151 4.504 4.350 0.004 0.000 0.263 154 T C 0.788 175.505 174.700 0.028 0.000 1.078 154 T CA 0.055 62.173 62.100 0.029 0.000 1.135 154 T CB -0.048 68.836 68.868 0.027 0.000 0.895 154 T HN 0.073 nan 8.240 nan 0.000 0.480 155 V N 2.901 122.833 119.914 0.029 0.000 2.607 155 V HA 0.218 4.340 4.120 0.004 0.000 0.289 155 V C 0.518 176.631 176.094 0.031 0.000 1.053 155 V CA -1.162 61.155 62.300 0.028 0.000 0.996 155 V CB 1.316 33.156 31.823 0.028 0.000 0.995 155 V HN 0.484 nan 8.190 nan 0.000 0.476 156 D N 2.804 123.221 120.400 0.028 0.000 2.648 156 D HA -0.078 4.565 4.640 0.004 0.000 0.229 156 D C 1.227 177.548 176.300 0.036 0.000 1.119 156 D CA 0.457 54.475 54.000 0.030 0.000 0.850 156 D CB 1.025 41.840 40.800 0.025 0.000 1.169 156 D HN 0.627 nan 8.370 nan 0.000 0.489 157 S N 2.121 117.847 115.700 0.044 0.000 2.419 157 S HA -0.198 4.274 4.470 0.004 0.000 0.235 157 S C 1.957 176.587 174.600 0.049 0.000 1.019 157 S CA 1.213 59.446 58.200 0.056 0.000 0.982 157 S CB -0.105 63.138 63.200 0.072 0.000 0.789 157 S HN 0.679 nan 8.310 nan 0.000 0.490 158 S N 1.228 116.951 115.700 0.039 0.000 2.515 158 S HA 0.124 4.597 4.470 0.004 0.000 0.231 158 S C 1.419 176.038 174.600 0.032 0.000 0.987 158 S CA 0.379 58.600 58.200 0.034 0.000 0.936 158 S CB -0.440 62.776 63.200 0.027 0.000 0.766 158 S HN 0.484 nan 8.310 nan 0.000 0.528 159 L N 1.417 122.660 121.223 0.032 0.000 2.567 159 L HA 0.411 4.754 4.340 0.004 0.000 0.225 159 L C 0.666 177.556 176.870 0.033 0.000 1.119 159 L CA -0.152 54.706 54.840 0.030 0.000 0.871 159 L CB 0.609 42.684 42.059 0.027 0.000 1.036 159 L HN 0.389 nan 8.230 nan 0.000 0.459 160 V N -2.687 117.251 119.914 0.039 0.000 2.864 160 V HA 0.533 4.656 4.120 0.004 0.000 0.314 160 V C -0.252 175.870 176.094 0.046 0.000 1.073 160 V CA -0.276 62.049 62.300 0.042 0.000 0.956 160 V CB 2.145 33.991 31.823 0.039 0.000 1.023 160 V HN -0.024 nan 8.190 nan 0.000 0.435 161 T N 4.535 119.119 114.554 0.050 0.000 2.733 161 T HA 0.530 4.882 4.350 0.004 0.000 0.294 161 T C -0.477 174.257 174.700 0.057 0.000 0.956 161 T CA -0.060 62.070 62.100 0.051 0.000 0.987 161 T CB 0.768 69.660 68.868 0.040 0.000 0.920 161 T HN 0.886 nan 8.240 nan 0.000 0.470 162 E N 1.964 122.193 120.200 0.048 0.000 2.283 162 E HA 0.320 4.672 4.350 0.004 0.000 0.271 162 E C -0.036 176.591 176.600 0.045 0.000 1.031 162 E CA -0.633 55.760 56.400 -0.011 0.000 0.868 162 E CB 1.121 30.786 29.700 -0.058 0.000 1.094 162 E HN 0.563 nan 8.360 nan 0.000 0.401 163 E N 2.514 122.738 120.200 0.040 0.000 2.174 163 E HA 0.279 4.631 4.350 0.004 0.000 0.282 163 E C -1.442 175.264 176.600 0.176 0.000 0.992 163 E CA -0.524 55.938 56.400 0.104 0.000 0.803 163 E CB 0.638 30.433 29.700 0.159 0.000 1.090 163 E HN 0.361 nan 8.360 nan 0.000 0.396 164 F N 3.284 123.277 119.950 0.071 0.000 2.507 164 F HA 0.689 5.219 4.527 0.004 0.000 0.325 164 F C -0.465 175.406 175.800 0.118 0.000 1.116 164 F CA -0.301 57.789 58.000 0.150 0.000 0.930 164 F CB 1.896 41.017 39.000 0.201 0.000 1.146 164 F HN 0.459 nan 8.300 nan 0.000 0.447 165 G N 5.608 113.943 108.800 -0.775 0.000 2.660 165 G HA2 0.695 4.657 3.960 0.004 0.000 0.294 165 G HA3 0.695 4.657 3.960 0.004 0.000 0.294 165 G C -1.869 172.708 174.900 -0.539 0.000 1.369 165 G CA -0.923 43.907 45.100 -0.449 0.000 0.912 165 G HN 0.826 nan 8.290 nan 0.000 0.479 166 I N -1.263 119.223 120.570 -0.140 0.000 2.865 166 I HA 0.937 5.110 4.170 0.004 0.000 0.302 166 I C -0.113 176.090 176.117 0.143 0.000 1.140 166 I CA -1.321 59.990 61.300 0.018 0.000 1.021 166 I CB 2.365 40.442 38.000 0.129 0.000 1.233 166 I HN 0.890 nan 8.210 nan 0.000 0.427 167 A N 2.552 125.491 122.820 0.198 0.000 2.601 167 A HA 0.996 5.318 4.320 0.004 0.000 0.291 167 A C -1.652 176.125 177.584 0.323 0.000 1.075 167 A CA -0.251 51.918 52.037 0.220 0.000 0.671 167 A CB 1.677 20.741 19.000 0.108 0.000 1.277 167 A HN 1.625 nan 8.150 nan 0.000 0.417 168 A N 0.762 123.741 122.820 0.264 0.000 2.547 168 A HA 0.811 5.134 4.320 0.004 0.000 0.297 168 A C -1.477 176.246 177.584 0.231 0.000 1.056 168 A CA 0.110 52.300 52.037 0.255 0.000 0.688 168 A CB 1.407 20.497 19.000 0.150 0.000 1.282 168 A HN 1.541 nan 8.150 nan 0.000 0.400 169 D N -0.700 119.855 120.400 0.258 0.000 2.547 169 D HA 0.694 5.336 4.640 0.004 0.000 0.231 169 D C -0.879 175.571 176.300 0.250 0.000 1.099 169 D CA -0.357 53.777 54.000 0.223 0.000 0.901 169 D CB 1.270 42.191 40.800 0.201 0.000 1.478 169 D HN 0.811 nan 8.370 nan 0.000 0.471 170 W N 0.875 122.192 121.300 0.029 0.000 3.372 170 W HA 0.623 5.285 4.660 0.003 0.000 0.315 170 W C -2.015 174.511 176.519 0.011 0.000 1.223 170 W CA -0.509 56.840 57.345 0.006 0.000 1.202 170 W CB 2.022 31.478 29.460 -0.006 0.000 1.367 170 W HN 0.513 nan 8.180 nan 0.000 0.531 171 S N 3.808 118.779 115.700 -1.215 0.000 2.541 171 S HA 0.554 5.027 4.470 0.004 0.000 0.271 171 S C -0.710 173.124 174.600 -1.276 0.000 1.133 171 S CA -0.598 56.906 58.200 -1.160 0.000 0.876 171 S CB 0.812 63.724 63.200 -0.480 0.000 1.105 171 S HN 0.682 nan 8.310 nan 0.000 0.470 172 N N 2.011 120.115 118.700 -0.993 0.000 3.178 172 N HA 0.450 5.193 4.740 0.004 0.000 0.352 172 N C -0.035 175.307 175.510 -0.280 0.000 1.423 172 N CA -0.368 52.405 53.050 -0.462 0.000 0.698 172 N CB -0.571 37.785 38.487 -0.219 0.000 1.400 172 N HN 0.434 nan 8.380 nan 0.000 0.586 173 D N -1.051 119.253 120.400 -0.159 0.000 2.234 173 D HA 0.047 4.690 4.640 0.004 0.000 0.205 173 D C 1.237 177.454 176.300 -0.138 0.000 0.962 173 D CA 1.368 55.288 54.000 -0.134 0.000 0.855 173 D CB -0.028 40.718 40.800 -0.091 0.000 0.951 173 D HN 0.586 nan 8.370 nan 0.000 0.500 174 M N -1.260 118.278 119.600 -0.104 0.000 2.329 174 M HA 0.313 4.796 4.480 0.004 0.000 0.281 174 M C -0.011 176.283 176.300 -0.009 0.000 1.088 174 M CA 0.110 55.350 55.300 -0.099 0.000 1.108 174 M CB 1.038 33.605 32.600 -0.055 0.000 1.657 174 M HN -0.220 nan 8.290 nan 0.000 0.579 175 I N 1.243 121.828 120.570 0.025 0.000 2.530 175 I HA 0.456 4.629 4.170 0.004 0.000 0.297 175 I C -0.619 175.449 176.117 -0.083 0.000 1.011 175 I CA -0.507 60.856 61.300 0.105 0.000 1.107 175 I CB 2.269 40.410 38.000 0.235 0.000 1.285 175 I HN 0.016 nan 8.210 nan 0.000 0.436 176 S N 5.778 121.485 115.700 0.012 0.000 2.536 176 S HA 0.777 5.250 4.470 0.004 0.000 0.287 176 S C -0.804 173.872 174.600 0.127 0.000 1.101 176 S CA -0.736 57.454 58.200 -0.016 0.000 0.950 176 S CB 1.783 64.968 63.200 -0.025 0.000 1.056 176 S HN 0.342 nan 8.310 nan 0.000 0.481 177 L N 1.617 122.958 121.223 0.196 0.000 2.401 177 L HA 0.960 5.302 4.340 0.004 0.000 0.266 177 L C -0.465 176.475 176.870 0.117 0.000 0.991 177 L CA -0.770 54.171 54.840 0.169 0.000 0.818 177 L CB 2.021 44.223 42.059 0.238 0.000 1.321 177 L HN 0.826 nan 8.230 nan 0.000 0.413 178 A N 1.967 124.776 122.820 -0.019 0.000 2.594 178 A HA 0.984 5.306 4.320 0.004 0.000 0.295 178 A C -1.538 175.860 177.584 -0.311 0.000 1.071 178 A CA -0.213 51.798 52.037 -0.043 0.000 0.685 178 A CB 2.078 21.138 19.000 0.100 0.000 1.285 178 A HN 0.880 nan 8.150 nan 0.000 0.405 179 A N -0.089 122.638 122.820 -0.156 0.000 2.594 179 A HA 1.041 5.364 4.320 0.004 0.000 0.295 179 A C -0.546 177.078 177.584 0.067 0.000 1.071 179 A CA 0.048 51.978 52.037 -0.178 0.000 0.685 179 A CB 1.299 20.253 19.000 -0.077 0.000 1.285 179 A HN 2.693 nan 8.150 nan 0.000 0.405 180 A N 0.170 123.092 122.820 0.170 0.000 2.594 180 A HA 0.806 5.129 4.320 0.004 0.000 0.295 180 A C -1.817 176.021 177.584 0.423 0.000 1.071 180 A CA -0.395 51.800 52.037 0.264 0.000 0.685 180 A CB 1.244 20.344 19.000 0.166 0.000 1.285 180 A HN 2.025 nan 8.150 nan 0.000 0.405 181 Y N 0.163 120.605 120.300 0.236 0.000 2.513 181 Y HA 0.687 5.239 4.550 0.004 0.000 0.340 181 Y C -0.797 175.180 175.900 0.128 0.000 1.055 181 Y CA -0.201 58.022 58.100 0.205 0.000 1.020 181 Y CB 2.379 40.935 38.460 0.159 0.000 1.301 181 Y HN 0.711 nan 8.280 nan 0.000 0.453 182 T N 3.842 118.072 114.554 -0.539 0.000 2.991 182 T HA 0.389 4.742 4.350 0.004 0.000 0.303 182 T C -0.947 173.424 174.700 -0.547 0.000 1.015 182 T CA -0.808 61.040 62.100 -0.421 0.000 1.007 182 T CB 1.128 69.780 68.868 -0.360 0.000 1.034 182 T HN 0.669 nan 8.240 nan 0.000 0.446 183 T N 0.255 114.642 114.554 -0.278 0.000 2.837 183 T HA 0.482 4.834 4.350 0.004 0.000 0.285 183 T C -0.194 174.463 174.700 -0.073 0.000 0.984 183 T CA -0.713 61.297 62.100 -0.151 0.000 1.049 183 T CB 0.587 69.499 68.868 0.073 0.000 0.947 183 T HN 0.618 nan 8.240 nan 0.000 0.472 184 D N 0.018 120.367 120.400 -0.085 0.000 2.723 184 D HA -0.150 4.492 4.640 0.004 0.000 0.236 184 D C 0.506 176.721 176.300 -0.142 0.000 1.138 184 D CA 0.942 54.897 54.000 -0.074 0.000 0.676 184 D CB -1.617 39.179 40.800 -0.007 0.000 1.069 184 D HN 1.143 nan 8.370 nan 0.000 0.430 185 A N -0.209 122.486 122.820 -0.208 0.000 2.566 185 A HA 0.415 4.738 4.320 0.004 0.000 0.245 185 A C 1.792 179.135 177.584 -0.401 0.000 1.056 185 A CA 1.259 53.125 52.037 -0.285 0.000 0.757 185 A CB 0.134 18.946 19.000 -0.314 0.000 0.979 185 A HN 1.270 nan 8.150 nan 0.000 0.508 186 G N 1.358 109.692 108.800 -0.775 0.000 2.153 186 G HA2 0.146 4.109 3.960 0.004 0.000 0.252 186 G HA3 0.146 4.109 3.960 0.004 0.000 0.252 186 G C 1.622 175.974 174.900 -0.913 0.000 0.994 186 G CA 0.964 45.267 45.100 -1.328 0.000 0.698 186 G HN 2.864 nan 8.290 nan 0.000 0.521 187 G N -1.347 107.166 108.800 -0.479 0.000 2.153 187 G HA2 -0.242 3.721 3.960 0.004 0.000 0.252 187 G HA3 -0.242 3.721 3.960 0.004 0.000 0.252 187 G C 0.260 175.122 174.900 -0.064 0.000 0.994 187 G CA 0.521 45.593 45.100 -0.047 0.000 0.698 187 G HN 1.400 nan 8.290 nan 0.000 0.521 188 I N 1.165 121.659 120.570 -0.127 0.000 2.312 188 I HA 0.306 4.478 4.170 0.004 0.000 0.290 188 I C 1.007 177.087 176.117 -0.061 0.000 1.008 188 I CA -1.134 60.117 61.300 -0.083 0.000 1.226 188 I CB 1.668 39.603 38.000 -0.107 0.000 1.371 188 I HN -0.093 nan 8.210 nan 0.000 0.468 189 V N 6.899 126.795 119.914 -0.029 0.000 2.644 189 V HA -0.109 4.014 4.120 0.004 0.000 0.305 189 V C 0.747 176.828 176.094 -0.021 0.000 1.053 189 V CA 0.752 63.044 62.300 -0.014 0.000 1.186 189 V CB -0.041 31.782 31.823 -0.001 0.000 0.895 189 V HN 0.928 nan 8.190 nan 0.000 0.490 190 D N 2.116 122.507 120.400 -0.014 0.000 3.079 190 D HA -0.185 4.457 4.640 0.004 0.000 0.214 190 D C 0.540 176.820 176.300 -0.035 0.000 1.145 190 D CA 1.277 55.270 54.000 -0.011 0.000 0.958 190 D CB -1.029 39.772 40.800 0.002 0.000 1.117 190 D HN 0.784 nan 8.370 nan 0.000 0.416 191 N N 1.797 120.457 118.700 -0.067 0.000 3.124 191 N HA 0.070 4.813 4.740 0.004 0.000 0.284 191 N C -1.310 174.114 175.510 -0.144 0.000 1.209 191 N CA 0.047 53.036 53.050 -0.101 0.000 1.149 191 N CB 0.174 38.586 38.487 -0.126 0.000 1.434 191 N HN -0.039 nan 8.380 nan 0.000 0.529 192 D N 2.162 122.490 120.400 -0.120 0.000 2.249 192 D HA 0.275 4.917 4.640 0.004 0.000 0.246 192 D C 0.542 176.718 176.300 -0.205 0.000 1.114 192 D CA -0.162 53.718 54.000 -0.201 0.000 0.854 192 D CB 1.152 41.904 40.800 -0.081 0.000 1.132 192 D HN 0.488 nan 8.370 nan 0.000 0.461 193 I N -1.786 118.571 120.570 -0.355 0.000 2.846 193 I HA 0.914 5.087 4.170 0.004 0.000 0.307 193 I C -0.944 175.124 176.117 -0.082 0.000 1.053 193 I CA -1.172 59.973 61.300 -0.258 0.000 1.050 193 I CB 2.331 40.026 38.000 -0.510 0.000 1.239 193 I HN 0.326 nan 8.210 nan 0.000 0.439 194 A N 3.085 126.025 122.820 0.199 0.000 2.606 194 A HA 0.854 5.177 4.320 0.004 0.000 0.293 194 A C -1.852 176.025 177.584 0.488 0.000 1.082 194 A CA -0.424 51.892 52.037 0.466 0.000 0.685 194 A CB 1.907 21.231 19.000 0.540 0.000 1.284 194 A HN 0.822 nan 8.150 nan 0.000 0.408 195 F N 0.963 121.064 119.950 0.252 0.000 2.591 195 F HA 0.734 5.263 4.527 0.004 0.000 0.309 195 F C -1.702 174.134 175.800 0.061 0.000 1.098 195 F CA -1.070 56.904 58.000 -0.043 0.000 0.937 195 F CB 2.003 40.821 39.000 -0.304 0.000 1.250 195 F HN 0.471 nan 8.300 nan 0.000 0.447 196 V N 4.489 124.077 119.914 -0.543 0.000 2.623 196 V HA 0.884 5.007 4.120 0.004 0.000 0.304 196 V C -0.188 175.395 176.094 -0.852 0.000 1.054 196 V CA -0.324 61.567 62.300 -0.682 0.000 0.882 196 V CB 1.396 33.134 31.823 -0.141 0.000 1.002 196 V HN 1.167 nan 8.190 nan 0.000 0.424 197 G N 2.348 110.613 108.800 -0.893 0.000 2.642 197 G HA2 0.947 4.909 3.960 0.004 0.000 0.293 197 G HA3 0.947 4.909 3.960 0.004 0.000 0.293 197 G C -1.266 173.582 174.900 -0.087 0.000 1.341 197 G CA -0.237 44.694 45.100 -0.282 0.000 0.916 197 G HN 1.248 nan 8.290 nan 0.000 0.474 198 A N -0.926 121.921 122.820 0.045 0.000 2.574 198 A HA 1.010 5.333 4.320 0.004 0.000 0.297 198 A C -0.613 177.033 177.584 0.103 0.000 1.062 198 A CA 0.005 52.085 52.037 0.070 0.000 0.686 198 A CB 1.600 20.625 19.000 0.042 0.000 1.285 198 A HN 2.363 nan 8.150 nan 0.000 0.403 199 A N 0.302 123.194 122.820 0.120 0.000 2.515 199 A HA 0.744 5.066 4.320 0.004 0.000 0.298 199 A C -1.929 175.766 177.584 0.186 0.000 1.059 199 A CA -0.409 51.700 52.037 0.120 0.000 0.698 199 A CB 1.306 20.390 19.000 0.139 0.000 1.289 199 A HN 1.783 nan 8.150 nan 0.000 0.404 200 Y N 1.754 122.080 120.300 0.043 0.000 2.338 200 Y HA 0.534 5.085 4.550 0.003 0.000 0.333 200 Y C -0.212 175.757 175.900 0.114 0.000 0.968 200 Y CA -1.181 56.964 58.100 0.075 0.000 1.123 200 Y CB 1.718 40.230 38.460 0.087 0.000 1.165 200 Y HN 0.487 nan 8.280 nan 0.000 0.452 201 K N 7.830 127.972 120.400 -0.430 0.000 2.142 201 K HA 0.092 4.414 4.320 0.004 0.000 0.250 201 K C -0.022 176.142 176.600 -0.726 0.000 1.148 201 K CA -0.327 55.693 56.287 -0.444 0.000 1.040 201 K CB -1.064 31.247 32.500 -0.314 0.000 1.569 201 K HN 0.714 nan 8.250 nan 0.000 0.361 202 F N 0.570 120.111 119.950 -0.681 0.000 2.733 202 F HA 0.244 4.773 4.527 0.003 0.000 0.301 202 F C 0.058 175.737 175.800 -0.202 0.000 1.240 202 F CA -0.523 57.180 58.000 -0.494 0.000 1.432 202 F CB -0.100 38.867 39.000 -0.056 0.000 1.089 202 F HN 0.182 nan 8.300 nan 0.000 0.533 203 N N 0.115 118.503 118.700 -0.519 0.000 3.717 203 N HA -0.018 4.724 4.740 0.004 0.000 0.239 203 N C -0.580 174.706 175.510 -0.375 0.000 1.388 203 N CA 0.185 52.996 53.050 -0.398 0.000 0.828 203 N CB 0.509 38.644 38.487 -0.587 0.000 1.468 203 N HN 0.050 nan 8.380 nan 0.000 0.445 204 D N -0.122 120.100 120.400 -0.297 0.000 2.323 204 D HA 0.219 4.861 4.640 0.004 0.000 0.209 204 D C 1.337 177.419 176.300 -0.363 0.000 0.973 204 D CA 0.869 54.705 54.000 -0.273 0.000 0.874 204 D CB 0.250 40.931 40.800 -0.199 0.000 0.930 204 D HN 0.482 nan 8.370 nan 0.000 0.521 205 A N 0.505 123.027 122.820 -0.496 0.000 1.956 205 A HA 0.461 4.784 4.320 0.004 0.000 0.212 205 A C 1.441 178.460 177.584 -0.942 0.000 1.188 205 A CA 0.732 52.320 52.037 -0.749 0.000 0.675 205 A CB -0.172 18.255 19.000 -0.955 0.000 0.845 205 A HN 0.264 nan 8.150 nan 0.000 0.455 206 G N -1.648 106.591 108.800 -0.936 0.000 2.473 206 G HA2 0.543 4.506 3.960 0.004 0.000 0.321 206 G HA3 0.543 4.506 3.960 0.004 0.000 0.321 206 G C -1.060 173.402 174.900 -0.729 0.000 1.200 206 G CA -0.223 44.359 45.100 -0.863 0.000 0.963 206 G HN 0.076 nan 8.290 nan 0.000 0.483 207 T N -0.343 114.127 114.554 -0.139 0.000 2.993 207 T HA 0.554 4.906 4.350 0.004 0.000 0.312 207 T C -0.494 174.366 174.700 0.267 0.000 1.115 207 T CA -0.448 61.694 62.100 0.070 0.000 1.027 207 T CB 1.558 70.449 68.868 0.038 0.000 1.116 207 T HN 1.149 nan 8.240 nan 0.000 0.464 208 V N -0.036 120.022 119.914 0.241 0.000 2.735 208 V HA 1.102 5.224 4.120 0.004 0.000 0.310 208 V C -0.010 175.973 176.094 -0.185 0.000 1.061 208 V CA -0.576 61.741 62.300 0.029 0.000 0.913 208 V CB 1.558 33.414 31.823 0.054 0.000 1.005 208 V HN 1.165 nan 8.190 nan 0.000 0.428 209 G N 2.042 110.480 108.800 -0.604 0.000 2.695 209 G HA2 0.742 4.704 3.960 0.004 0.000 0.290 209 G HA3 0.742 4.704 3.960 0.004 0.000 0.290 209 G C -2.138 172.538 174.900 -0.373 0.000 1.410 209 G CA -0.842 43.931 45.100 -0.545 0.000 0.844 209 G HN 1.298 nan 8.290 nan 0.000 0.478 210 L N 0.388 121.605 121.223 -0.010 0.000 2.505 210 L HA 0.667 5.009 4.340 0.004 0.000 0.266 210 L C -1.640 175.367 176.870 0.228 0.000 0.954 210 L CA -0.776 54.144 54.840 0.132 0.000 0.852 210 L CB 2.226 44.330 42.059 0.076 0.000 1.282 210 L HN 0.449 nan 8.230 nan 0.000 0.403 211 N N 3.567 122.449 118.700 0.303 0.000 2.314 211 N HA 0.510 5.252 4.740 0.004 0.000 0.304 211 N C -1.999 173.603 175.510 0.154 0.000 1.073 211 N CA -0.214 52.992 53.050 0.259 0.000 0.822 211 N CB 2.176 40.853 38.487 0.317 0.000 1.280 211 N HN 0.702 nan 8.380 nan 0.000 0.489 212 W N 3.216 124.406 121.300 -0.184 0.000 2.785 212 W HA 0.549 5.211 4.660 0.004 0.000 0.333 212 W C -1.706 174.636 176.519 -0.296 0.000 1.062 212 W CA -0.546 56.721 57.345 -0.130 0.000 1.233 212 W CB 0.689 30.107 29.460 -0.070 0.000 1.413 212 W HN 0.407 nan 8.180 nan 0.000 0.489 213 Y N 3.965 123.668 120.300 -0.996 0.000 2.536 213 Y HA 0.302 4.855 4.550 0.005 0.000 0.347 213 Y C -0.256 174.804 175.900 -1.401 0.000 1.000 213 Y CA -1.026 56.486 58.100 -0.981 0.000 1.051 213 Y CB 1.793 40.056 38.460 -0.329 0.000 1.259 213 Y HN 0.295 nan 8.280 nan 0.000 0.468 214 D N 1.338 121.264 120.400 -0.789 0.000 2.392 214 D HA 0.153 4.796 4.640 0.004 0.000 0.228 214 D C -0.394 175.839 176.300 -0.111 0.000 1.074 214 D CA -0.263 53.550 54.000 -0.311 0.000 0.838 214 D CB 0.597 41.369 40.800 -0.046 0.000 1.067 214 D HN 0.543 nan 8.370 nan 0.000 0.511 215 N N 2.922 121.563 118.700 -0.098 0.000 2.362 215 N HA 0.138 4.881 4.740 0.004 0.000 0.211 215 N C 1.299 176.754 175.510 -0.091 0.000 1.170 215 N CA 0.435 53.429 53.050 -0.093 0.000 0.828 215 N CB 0.429 38.854 38.487 -0.103 0.000 1.034 215 N HN 0.754 nan 8.380 nan 0.000 0.475 216 G N 1.540 110.296 108.800 -0.073 0.000 2.651 216 G HA2 -0.340 3.622 3.960 0.004 0.000 0.315 216 G HA3 -0.340 3.622 3.960 0.004 0.000 0.315 216 G C 0.752 175.621 174.900 -0.052 0.000 1.258 216 G CA 0.253 45.314 45.100 -0.066 0.000 1.002 216 G HN 0.346 nan 8.290 nan 0.000 0.551 217 L N 1.606 122.792 121.223 -0.062 0.000 2.610 217 L HA 0.216 4.558 4.340 0.004 0.000 0.232 217 L C 2.027 178.863 176.870 -0.056 0.000 1.149 217 L CA 0.675 55.485 54.840 -0.050 0.000 0.872 217 L CB -0.439 41.589 42.059 -0.051 0.000 0.992 217 L HN 0.550 nan 8.230 nan 0.000 0.447 218 S N -0.029 115.630 115.700 -0.068 0.000 2.566 218 S HA -0.062 4.411 4.470 0.004 0.000 0.280 218 S C 1.619 176.181 174.600 -0.064 0.000 1.343 218 S CA 0.197 58.355 58.200 -0.070 0.000 1.036 218 S CB 0.965 64.116 63.200 -0.083 0.000 0.866 218 S HN 0.445 nan 8.310 nan 0.000 0.526 219 T N 1.737 116.254 114.554 -0.061 0.000 3.113 219 T HA 0.092 4.445 4.350 0.004 0.000 0.263 219 T C 1.689 176.342 174.700 -0.079 0.000 1.143 219 T CA 0.761 62.826 62.100 -0.058 0.000 1.090 219 T CB -0.473 68.367 68.868 -0.048 0.000 0.922 219 T HN 0.717 nan 8.240 nan 0.000 0.521 220 A N 1.411 124.166 122.820 -0.108 0.000 1.968 220 A HA 0.502 4.825 4.320 0.004 0.000 0.217 220 A C 1.801 179.305 177.584 -0.133 0.000 1.169 220 A CA 0.952 52.890 52.037 -0.165 0.000 0.638 220 A CB -1.316 17.551 19.000 -0.221 0.000 0.812 220 A HN 1.421 nan 8.150 nan 0.000 0.446 221 G N -0.551 108.196 108.800 -0.089 0.000 2.642 221 G HA2 -0.153 3.810 3.960 0.004 0.000 0.231 221 G HA3 -0.153 3.810 3.960 0.004 0.000 0.231 221 G C -0.866 174.000 174.900 -0.057 0.000 1.338 221 G CA -0.101 44.969 45.100 -0.050 0.000 0.883 221 G HN 0.447 nan 8.290 nan 0.000 0.570 222 D N 0.760 121.155 120.400 -0.009 0.000 2.419 222 D HA 0.478 5.121 4.640 0.004 0.000 0.236 222 D C 0.783 177.069 176.300 -0.023 0.000 1.165 222 D CA 0.945 54.935 54.000 -0.016 0.000 0.882 222 D CB 0.908 41.805 40.800 0.161 0.000 1.201 222 D HN 0.751 nan 8.370 nan 0.000 0.443 223 Q N 0.036 119.800 119.800 -0.060 0.000 2.379 223 Q HA 0.635 4.978 4.340 0.004 0.000 0.278 223 Q C -2.096 173.989 176.000 0.142 0.000 1.068 223 Q CA -0.871 54.963 55.803 0.051 0.000 0.816 223 Q CB 2.376 31.147 28.738 0.055 0.000 1.387 223 Q HN 0.300 nan 8.270 nan 0.000 0.413 224 V N 1.989 122.047 119.914 0.240 0.000 2.760 224 V HA 0.741 4.864 4.120 0.004 0.000 0.309 224 V C -1.626 174.660 176.094 0.319 0.000 1.077 224 V CA -0.027 62.451 62.300 0.297 0.000 0.910 224 V CB 2.485 34.489 31.823 0.301 0.000 1.008 224 V HN 0.902 nan 8.190 nan 0.000 0.424 225 T N 7.515 122.272 114.554 0.340 0.000 2.841 225 T HA 0.598 4.951 4.350 0.004 0.000 0.285 225 T C -1.124 173.798 174.700 0.370 0.000 0.991 225 T CA -0.224 62.098 62.100 0.370 0.000 0.966 225 T CB 1.252 70.342 68.868 0.370 0.000 0.962 225 T HN 0.778 nan 8.240 nan 0.000 0.438 226 L N 5.491 126.925 121.223 0.352 0.000 2.333 226 L HA 0.802 5.145 4.340 0.004 0.000 0.280 226 L C -1.315 175.764 176.870 0.349 0.000 1.004 226 L CA -0.587 54.407 54.840 0.256 0.000 0.820 226 L CB 0.601 42.762 42.059 0.171 0.000 1.247 226 L HN 0.729 nan 8.230 nan 0.000 0.416 227 Y N 2.486 122.913 120.300 0.210 0.000 2.644 227 Y HA 1.015 5.568 4.550 0.005 0.000 0.338 227 Y C -0.328 175.691 175.900 0.197 0.000 1.119 227 Y CA -0.818 57.423 58.100 0.234 0.000 1.060 227 Y CB 1.508 40.106 38.460 0.230 0.000 1.294 227 Y HN 0.793 nan 8.280 nan 0.000 0.472 228 G N 0.990 109.990 108.800 0.334 0.000 2.646 228 G HA2 0.526 4.489 3.960 0.004 0.000 0.291 228 G HA3 0.526 4.489 3.960 0.004 0.000 0.291 228 G C -2.392 172.693 174.900 0.307 0.000 1.445 228 G CA -1.292 43.954 45.100 0.243 0.000 0.814 228 G HN 1.163 nan 8.290 nan 0.000 0.495 229 N N -1.130 117.733 118.700 0.271 0.000 2.484 229 N HA 0.546 5.289 4.740 0.004 0.000 0.269 229 N C -2.243 173.381 175.510 0.190 0.000 1.237 229 N CA -0.745 52.436 53.050 0.218 0.000 0.838 229 N CB 2.964 41.552 38.487 0.169 0.000 1.593 229 N HN 0.533 nan 8.380 nan 0.000 0.485 230 Y N 0.225 120.502 120.300 -0.038 0.000 2.401 230 Y HA 0.560 5.112 4.550 0.003 0.000 0.330 230 Y C -1.459 174.223 175.900 -0.364 0.000 1.071 230 Y CA -0.520 57.438 58.100 -0.236 0.000 1.049 230 Y CB 1.907 40.214 38.460 -0.254 0.000 1.239 230 Y HN 0.896 nan 8.280 nan 0.000 0.437 231 A N 5.482 127.866 122.820 -0.726 0.000 2.274 231 A HA 0.659 4.981 4.320 0.004 0.000 0.309 231 A C -1.740 175.505 177.584 -0.564 0.000 1.226 231 A CA -0.299 51.455 52.037 -0.472 0.000 0.853 231 A CB -0.199 18.596 19.000 -0.343 0.000 1.146 231 A HN 0.591 nan 8.150 nan 0.000 0.518 232 F N 3.067 123.032 119.950 0.025 0.000 2.366 232 F HA 0.515 5.045 4.527 0.004 0.000 0.357 232 F C 1.267 177.098 175.800 0.051 0.000 1.107 232 F CA 0.499 58.546 58.000 0.079 0.000 1.208 232 F CB 0.791 39.880 39.000 0.148 0.000 1.464 232 F HN 1.112 nan 8.300 nan 0.000 0.501 233 G N 1.964 110.842 108.800 0.130 0.000 2.557 233 G HA2 -0.296 3.667 3.960 0.004 0.000 0.292 233 G HA3 -0.296 3.667 3.960 0.004 0.000 0.292 233 G C 1.112 176.041 174.900 0.047 0.000 1.162 233 G CA 0.280 45.432 45.100 0.087 0.000 0.964 233 G HN 0.859 nan 8.290 nan 0.000 0.541 234 A N -0.284 122.577 122.820 0.068 0.000 2.195 234 A HA 0.573 4.896 4.320 0.004 0.000 0.210 234 A C 1.476 179.079 177.584 0.032 0.000 1.165 234 A CA 2.273 54.284 52.037 -0.043 0.000 0.806 234 A CB -0.234 18.641 19.000 -0.208 0.000 0.847 234 A HN 2.072 nan 8.150 nan 0.000 0.482 235 T N -0.085 114.603 114.554 0.223 0.000 2.829 235 T HA 0.518 4.871 4.350 0.004 0.000 0.282 235 T C -0.496 174.348 174.700 0.241 0.000 0.990 235 T CA -0.206 62.071 62.100 0.295 0.000 1.028 235 T CB 0.903 70.006 68.868 0.391 0.000 0.951 235 T HN 0.029 nan 8.240 nan 0.000 0.460 236 T N 4.290 118.955 114.554 0.185 0.000 2.807 236 T HA 0.567 4.919 4.350 0.004 0.000 0.279 236 T C -0.490 174.328 174.700 0.195 0.000 0.993 236 T CA -0.551 61.631 62.100 0.137 0.000 0.970 236 T CB 1.413 70.314 68.868 0.056 0.000 0.950 236 T HN 0.592 nan 8.240 nan 0.000 0.441 237 V N 4.512 124.569 119.914 0.238 0.000 2.547 237 V HA 0.619 4.741 4.120 0.004 0.000 0.299 237 V C 0.004 176.226 176.094 0.213 0.000 1.040 237 V CA -0.765 61.686 62.300 0.252 0.000 0.913 237 V CB 1.678 33.710 31.823 0.348 0.000 0.992 237 V HN 0.752 nan 8.190 nan 0.000 0.449 238 R N 2.517 123.133 120.500 0.194 0.000 2.771 238 R HA 0.920 5.263 4.340 0.004 0.000 0.274 238 R C -1.071 175.356 176.300 0.210 0.000 0.987 238 R CA -0.703 55.522 56.100 0.209 0.000 0.908 238 R CB 2.430 32.846 30.300 0.193 0.000 1.213 238 R HN 0.804 nan 8.270 nan 0.000 0.468 239 A N 1.256 124.227 122.820 0.253 0.000 2.606 239 A HA 0.751 5.073 4.320 0.004 0.000 0.293 239 A C -1.926 175.859 177.584 0.335 0.000 1.082 239 A CA -0.765 51.399 52.037 0.213 0.000 0.685 239 A CB 1.512 20.600 19.000 0.147 0.000 1.284 239 A HN 0.777 nan 8.150 nan 0.000 0.408 240 Y N -1.693 118.737 120.300 0.216 0.000 2.656 240 Y HA 0.756 5.309 4.550 0.004 0.000 0.334 240 Y C -1.020 175.020 175.900 0.234 0.000 1.179 240 Y CA -1.169 57.078 58.100 0.245 0.000 1.050 240 Y CB 1.127 39.738 38.460 0.251 0.000 1.308 240 Y HN 1.458 nan 8.280 nan 0.000 0.456 241 V N -0.713 119.457 119.914 0.426 0.000 2.760 241 V HA 0.902 5.024 4.120 0.004 0.000 0.309 241 V C -0.904 175.464 176.094 0.457 0.000 1.077 241 V CA -0.411 62.089 62.300 0.333 0.000 0.910 241 V CB 1.212 33.157 31.823 0.203 0.000 1.008 241 V HN 1.113 nan 8.190 nan 0.000 0.424 242 S N 1.798 117.766 115.700 0.446 0.000 2.549 242 S HA 0.700 5.173 4.470 0.004 0.000 0.280 242 S C -1.721 173.178 174.600 0.498 0.000 1.109 242 S CA -0.523 57.957 58.200 0.467 0.000 0.905 242 S CB 2.001 65.522 63.200 0.535 0.000 1.081 242 S HN 0.983 nan 8.310 nan 0.000 0.477 243 D N 2.372 123.025 120.400 0.422 0.000 2.738 243 D HA 0.564 5.207 4.640 0.004 0.000 0.237 243 D C -0.499 175.901 176.300 0.167 0.000 1.123 243 D CA -0.257 53.943 54.000 0.334 0.000 0.856 243 D CB 1.874 42.805 40.800 0.219 0.000 1.552 243 D HN 0.681 nan 8.370 nan 0.000 0.480 244 I N -2.013 118.550 120.570 -0.012 0.000 2.957 244 I HA 0.459 4.632 4.170 0.004 0.000 0.310 244 I C 0.301 176.376 176.117 -0.069 0.000 1.063 244 I CA -0.793 60.410 61.300 -0.163 0.000 1.033 244 I CB 1.867 39.562 38.000 -0.508 0.000 1.230 244 I HN -0.053 nan 8.210 nan 0.000 0.447 245 D N 0.913 121.283 120.400 -0.051 0.000 2.277 245 D HA -0.025 4.617 4.640 0.004 0.000 0.208 245 D C 0.909 177.191 176.300 -0.030 0.000 0.962 245 D CA 0.692 54.684 54.000 -0.012 0.000 0.865 245 D CB 0.006 40.810 40.800 0.008 0.000 0.939 245 D HN 0.449 nan 8.370 nan 0.000 0.510 246 R N 0.902 121.359 120.500 -0.072 0.000 2.500 246 R HA 0.068 4.411 4.340 0.004 0.000 0.281 246 R C -0.200 176.085 176.300 -0.025 0.000 0.953 246 R CA -0.107 55.958 56.100 -0.058 0.000 1.108 246 R CB 0.304 30.551 30.300 -0.088 0.000 0.901 246 R HN -0.071 nan 8.270 nan 0.000 0.410 247 A N 3.505 126.318 122.820 -0.011 0.000 2.520 247 A HA 0.353 4.675 4.320 0.004 0.000 0.245 247 A C 1.377 178.965 177.584 0.006 0.000 1.072 247 A CA 0.539 52.577 52.037 0.002 0.000 0.761 247 A CB -0.048 18.954 19.000 0.003 0.000 1.004 247 A HN 1.140 nan 8.150 nan 0.000 0.499 248 G N 0.921 109.731 108.800 0.016 0.000 2.184 248 G HA2 0.102 4.065 3.960 0.004 0.000 0.264 248 G HA3 0.102 4.065 3.960 0.004 0.000 0.264 248 G C 0.668 175.588 174.900 0.034 0.000 0.975 248 G CA 0.571 45.684 45.100 0.022 0.000 0.642 248 G HN 2.217 nan 8.290 nan 0.000 0.536 249 A N 0.145 122.987 122.820 0.037 0.000 2.445 249 A HA 0.515 4.837 4.320 0.004 0.000 0.242 249 A C 0.496 178.147 177.584 0.112 0.000 1.075 249 A CA 0.452 52.534 52.037 0.075 0.000 0.777 249 A CB 0.340 19.367 19.000 0.046 0.000 1.013 249 A HN 0.322 nan 8.150 nan 0.000 0.493 250 D N 0.405 120.884 120.400 0.133 0.000 2.383 250 D HA 0.317 4.959 4.640 0.004 0.000 0.248 250 D C 0.041 176.458 176.300 0.196 0.000 1.170 250 D CA 0.350 54.422 54.000 0.119 0.000 0.977 250 D CB 0.612 41.443 40.800 0.051 0.000 1.120 250 D HN 0.458 nan 8.370 nan 0.000 0.481 251 T N 0.601 115.256 114.554 0.169 0.000 2.832 251 T HA 0.460 4.813 4.350 0.004 0.000 0.296 251 T C 0.136 174.919 174.700 0.137 0.000 0.968 251 T CA -0.494 61.734 62.100 0.213 0.000 1.107 251 T CB 0.873 69.854 68.868 0.189 0.000 0.916 251 T HN 0.370 nan 8.240 nan 0.000 0.517 252 A N 3.563 126.389 122.820 0.009 0.000 2.302 252 A HA 0.784 5.107 4.320 0.004 0.000 0.285 252 A C -0.753 176.854 177.584 0.037 0.000 1.105 252 A CA -0.628 51.236 52.037 -0.288 0.000 0.816 252 A CB 0.252 18.761 19.000 -0.818 0.000 1.067 252 A HN 0.928 nan 8.150 nan 0.000 0.489 253 Y N -1.855 118.333 120.300 -0.186 0.000 2.656 253 Y HA 0.744 5.297 4.550 0.004 0.000 0.334 253 Y C -0.245 175.289 175.900 -0.609 0.000 1.179 253 Y CA -0.688 57.153 58.100 -0.432 0.000 1.050 253 Y CB 0.768 39.087 38.460 -0.234 0.000 1.308 253 Y HN 1.197 nan 8.280 nan 0.000 0.456 254 G N 1.480 109.797 108.800 -0.805 0.000 2.703 254 G HA2 0.577 4.540 3.960 0.004 0.000 0.294 254 G HA3 0.577 4.540 3.960 0.004 0.000 0.294 254 G C -2.514 172.293 174.900 -0.156 0.000 1.451 254 G CA -0.874 43.968 45.100 -0.430 0.000 0.869 254 G HN 1.002 nan 8.290 nan 0.000 0.516 255 I N 0.756 121.337 120.570 0.018 0.000 2.619 255 I HA 0.815 4.987 4.170 0.004 0.000 0.292 255 I C -0.066 176.110 176.117 0.097 0.000 1.100 255 I CA -0.541 60.805 61.300 0.077 0.000 1.043 255 I CB 2.042 40.091 38.000 0.081 0.000 1.239 255 I HN 0.945 nan 8.210 nan 0.000 0.420 256 G N 4.699 113.571 108.800 0.120 0.000 2.663 256 G HA2 0.846 4.809 3.960 0.004 0.000 0.299 256 G HA3 0.846 4.809 3.960 0.004 0.000 0.299 256 G C -2.158 172.818 174.900 0.127 0.000 1.372 256 G CA -0.238 44.931 45.100 0.115 0.000 0.781 256 G HN 0.917 nan 8.290 nan 0.000 0.491 257 A N -0.151 122.740 122.820 0.120 0.000 2.574 257 A HA 0.759 5.081 4.320 0.004 0.000 0.297 257 A C -1.916 175.746 177.584 0.130 0.000 1.062 257 A CA -0.675 51.444 52.037 0.136 0.000 0.686 257 A CB 1.932 21.015 19.000 0.138 0.000 1.285 257 A HN 0.477 nan 8.150 nan 0.000 0.403 258 D N 0.323 120.807 120.400 0.140 0.000 2.350 258 D HA 0.494 5.136 4.640 0.004 0.000 0.245 258 D C -1.616 174.808 176.300 0.207 0.000 1.036 258 D CA 0.258 54.338 54.000 0.135 0.000 0.848 258 D CB 1.999 42.847 40.800 0.079 0.000 1.307 258 D HN 0.450 nan 8.370 nan 0.000 0.469 259 Y N 1.203 121.541 120.300 0.064 0.000 2.326 259 Y HA 0.212 4.764 4.550 0.004 0.000 0.329 259 Y C -0.476 175.482 175.900 0.097 0.000 0.973 259 Y CA -0.916 57.234 58.100 0.083 0.000 1.162 259 Y CB 1.500 40.013 38.460 0.088 0.000 1.147 259 Y HN 0.099 nan 8.280 nan 0.000 0.456 260 Q N 5.864 125.413 119.800 -0.419 0.000 2.513 260 Q HA 0.128 4.471 4.340 0.004 0.000 0.227 260 Q C 0.204 175.917 176.000 -0.478 0.000 1.257 260 Q CA 0.269 55.883 55.803 -0.315 0.000 0.915 260 Q CB -0.340 28.267 28.738 -0.219 0.000 1.507 260 Q HN 0.825 nan 8.270 nan 0.000 0.543 261 F N 2.294 122.016 119.950 -0.380 0.000 2.186 261 F HA 0.176 4.706 4.527 0.004 0.000 0.299 261 F C 0.315 176.045 175.800 -0.117 0.000 1.090 261 F CA 1.032 58.913 58.000 -0.198 0.000 1.307 261 F CB 0.311 39.339 39.000 0.046 0.000 1.019 261 F HN 0.512 nan 8.300 nan 0.000 0.489 262 A N -0.630 122.138 122.820 -0.085 0.000 2.540 262 A HA 0.294 4.617 4.320 0.004 0.000 0.291 262 A C -0.843 176.717 177.584 -0.040 0.000 1.083 262 A CA -0.781 51.169 52.037 -0.145 0.000 0.650 262 A CB 0.042 18.950 19.000 -0.153 0.000 1.292 262 A HN 0.084 nan 8.150 nan 0.000 0.435 263 E N -0.177 120.000 120.200 -0.037 0.000 2.465 263 E HA 0.341 4.693 4.350 0.004 0.000 0.260 263 E C 1.309 177.931 176.600 0.036 0.000 0.980 263 E CA 1.526 57.919 56.400 -0.011 0.000 0.927 263 E CB 0.195 29.890 29.700 -0.008 0.000 0.934 263 E HN 2.007 nan 8.360 nan 0.000 0.459 264 G N 2.624 111.444 108.800 0.033 0.000 2.184 264 G HA2 -0.270 3.692 3.960 0.004 0.000 0.264 264 G HA3 -0.270 3.692 3.960 0.004 0.000 0.264 264 G C -0.007 174.962 174.900 0.115 0.000 0.975 264 G CA 0.308 45.448 45.100 0.066 0.000 0.642 264 G HN 0.480 nan 8.290 nan 0.000 0.536 265 V N 0.673 120.663 119.914 0.128 0.000 2.376 265 V HA 0.645 4.768 4.120 0.004 0.000 0.287 265 V C 0.049 176.222 176.094 0.132 0.000 1.015 265 V CA -0.517 61.894 62.300 0.186 0.000 0.834 265 V CB 1.725 33.730 31.823 0.304 0.000 1.001 265 V HN 0.407 nan 8.190 nan 0.000 0.428 266 K N 4.182 124.630 120.400 0.080 0.000 2.463 266 K HA 0.713 5.036 4.320 0.004 0.000 0.255 266 K C -1.408 175.221 176.600 0.048 0.000 0.942 266 K CA -0.505 55.812 56.287 0.049 0.000 0.814 266 K CB 2.081 34.581 32.500 0.000 0.000 1.122 266 K HN 0.443 nan 8.250 nan 0.000 0.425 267 V N 3.394 123.362 119.914 0.091 0.000 2.407 267 V HA 0.408 4.530 4.120 0.004 0.000 0.278 267 V C -0.477 175.671 176.094 0.089 0.000 1.037 267 V CA -0.387 61.949 62.300 0.060 0.000 0.900 267 V CB 1.240 33.118 31.823 0.092 0.000 0.983 267 V HN 0.842 nan 8.190 nan 0.000 0.459 268 S N 2.332 118.070 115.700 0.063 0.000 2.595 268 S HA 0.950 5.422 4.470 0.004 0.000 0.281 268 S C 0.020 174.684 174.600 0.107 0.000 1.117 268 S CA -0.447 57.812 58.200 0.098 0.000 0.873 268 S CB 2.247 65.512 63.200 0.108 0.000 1.108 268 S HN 1.135 nan 8.310 nan 0.000 0.477 269 G N 0.438 109.303 108.800 0.108 0.000 2.677 269 G HA2 0.725 4.687 3.960 0.004 0.000 0.291 269 G HA3 0.725 4.687 3.960 0.004 0.000 0.291 269 G C -1.274 173.687 174.900 0.101 0.000 1.435 269 G CA -0.374 44.792 45.100 0.110 0.000 0.826 269 G HN 1.198 nan 8.290 nan 0.000 0.491 270 S N -1.734 114.024 115.700 0.098 0.000 2.587 270 S HA 0.739 5.211 4.470 0.004 0.000 0.269 270 S C -1.737 172.913 174.600 0.083 0.000 1.154 270 S CA -0.699 57.554 58.200 0.089 0.000 0.824 270 S CB 1.813 65.067 63.200 0.090 0.000 1.118 270 S HN 1.316 nan 8.310 nan 0.000 0.462 271 V N 1.887 121.846 119.914 0.076 0.000 2.525 271 V HA 0.613 4.736 4.120 0.004 0.000 0.299 271 V C -0.717 175.403 176.094 0.044 0.000 1.034 271 V CA -0.372 61.971 62.300 0.070 0.000 0.863 271 V CB 1.349 33.211 31.823 0.065 0.000 0.999 271 V HN 0.947 nan 8.190 nan 0.000 0.423 272 Q N 1.759 121.583 119.800 0.040 0.000 2.456 272 Q HA 0.756 5.098 4.340 0.004 0.000 0.283 272 Q C -1.023 174.938 176.000 -0.065 0.000 1.084 272 Q CA -0.709 55.094 55.803 0.000 0.000 0.801 272 Q CB 2.803 31.640 28.738 0.166 0.000 1.434 272 Q HN 0.647 nan 8.270 nan 0.000 0.419 273 S N -0.345 115.154 115.700 -0.335 0.000 2.614 273 S HA 0.725 5.197 4.470 0.004 0.000 0.288 273 S C -0.590 173.557 174.600 -0.755 0.000 1.137 273 S CA -0.414 57.475 58.200 -0.517 0.000 0.992 273 S CB 1.166 63.778 63.200 -0.980 0.000 1.026 273 S HN 0.732 nan 8.310 nan 0.000 0.486 274 G N 2.063 110.214 108.800 -1.082 0.000 2.543 274 G HA2 0.482 4.445 3.960 0.004 0.000 0.290 274 G HA3 0.482 4.445 3.960 0.004 0.000 0.290 274 G C 0.203 174.545 174.900 -0.931 0.000 1.310 274 G CA -0.567 43.423 45.100 -1.849 0.000 1.025 274 G HN 0.661 nan 8.290 nan 0.000 0.502 275 F N 0.169 119.810 119.950 -0.516 0.000 2.365 275 F HA 0.099 4.628 4.527 0.004 0.000 0.300 275 F C 2.481 178.182 175.800 -0.165 0.000 1.090 275 F CA 1.101 58.966 58.000 -0.225 0.000 1.408 275 F CB 0.016 38.938 39.000 -0.130 0.000 1.060 275 F HN 0.351 nan 8.300 nan 0.000 0.534 276 A N -0.770 122.012 122.820 -0.063 0.000 2.574 276 A HA 0.326 4.648 4.320 0.004 0.000 0.283 276 A C 0.883 178.418 177.584 -0.082 0.000 1.270 276 A CA 0.066 52.080 52.037 -0.039 0.000 0.945 276 A CB -0.653 18.336 19.000 -0.019 0.000 1.127 276 A HN 0.269 nan 8.150 nan 0.000 0.522 277 N N -0.236 118.380 118.700 -0.139 0.000 2.828 277 N HA -0.151 4.591 4.740 0.004 0.000 0.248 277 N C -0.613 174.817 175.510 -0.134 0.000 1.044 277 N CA 1.323 54.297 53.050 -0.127 0.000 0.851 277 N CB -1.388 37.068 38.487 -0.051 0.000 1.136 277 N HN 0.702 nan 8.380 nan 0.000 0.572 278 E N -0.302 119.792 120.200 -0.177 0.000 2.392 278 E HA 0.223 4.576 4.350 0.004 0.000 0.264 278 E C 0.006 176.556 176.600 -0.083 0.000 1.024 278 E CA 0.509 56.849 56.400 -0.101 0.000 0.903 278 E CB 0.513 30.182 29.700 -0.051 0.000 0.963 278 E HN 0.111 nan 8.360 nan 0.000 0.432 279 T N 2.123 116.665 114.554 -0.020 0.000 2.770 279 T HA 0.503 4.856 4.350 0.004 0.000 0.283 279 T C -0.761 173.985 174.700 0.077 0.000 0.988 279 T CA -0.808 61.315 62.100 0.038 0.000 0.957 279 T CB 0.558 69.480 68.868 0.090 0.000 0.930 279 T HN 0.351 nan 8.240 nan 0.000 0.443 280 V N 0.515 120.510 119.914 0.135 0.000 2.876 280 V HA 1.066 5.189 4.120 0.004 0.000 0.312 280 V C -0.675 175.536 176.094 0.195 0.000 1.085 280 V CA -1.169 61.211 62.300 0.134 0.000 0.945 280 V CB 1.490 33.361 31.823 0.080 0.000 1.017 280 V HN 1.060 nan 8.190 nan 0.000 0.428 281 A N 3.314 126.293 122.820 0.266 0.000 2.572 281 A HA 0.990 5.313 4.320 0.004 0.000 0.295 281 A C -1.211 176.488 177.584 0.191 0.000 1.072 281 A CA 0.001 52.162 52.037 0.207 0.000 0.691 281 A CB 2.048 21.151 19.000 0.171 0.000 1.291 281 A HN 1.638 nan 8.150 nan 0.000 0.404 282 D N -1.451 119.044 120.400 0.158 0.000 2.599 282 D HA 0.598 5.241 4.640 0.004 0.000 0.252 282 D C -1.507 174.915 176.300 0.203 0.000 1.232 282 D CA -0.667 53.469 54.000 0.226 0.000 0.819 282 D CB 1.947 42.891 40.800 0.240 0.000 1.401 282 D HN 1.149 nan 8.370 nan 0.000 0.429 283 V N 0.145 120.176 119.914 0.195 0.000 2.789 283 V HA 0.848 4.971 4.120 0.004 0.000 0.300 283 V C -0.617 175.299 176.094 -0.296 0.000 1.184 283 V CA 0.625 62.942 62.300 0.028 0.000 0.930 283 V CB 0.954 32.773 31.823 -0.008 0.000 1.041 283 V HN 1.318 nan 8.190 nan 0.000 0.430 284 G N 4.212 112.745 108.800 -0.446 0.000 2.428 284 G HA2 0.664 4.627 3.960 0.004 0.000 0.304 284 G HA3 0.664 4.627 3.960 0.004 0.000 0.304 284 G C -1.500 173.096 174.900 -0.506 0.000 1.303 284 G CA 0.166 44.732 45.100 -0.890 0.000 0.825 284 G HN 1.509 nan 8.290 nan 0.000 0.484 285 V N -1.484 118.094 119.914 -0.560 0.000 2.864 285 V HA 0.891 5.014 4.120 0.004 0.000 0.314 285 V C -0.181 175.831 176.094 -0.136 0.000 1.073 285 V CA -1.142 60.977 62.300 -0.303 0.000 0.956 285 V CB 1.871 33.469 31.823 -0.374 0.000 1.023 285 V HN 0.982 nan 8.190 nan 0.000 0.435 286 R N 2.220 122.709 120.500 -0.018 0.000 2.561 286 R HA 0.717 5.060 4.340 0.004 0.000 0.297 286 R C -1.877 174.480 176.300 0.095 0.000 0.969 286 R CA -0.538 55.542 56.100 -0.033 0.000 0.879 286 R CB 1.818 32.030 30.300 -0.147 0.000 1.178 286 R HN 0.824 nan 8.270 nan 0.000 0.445 287 F N 0.507 120.476 119.950 0.032 0.000 2.529 287 F HA 0.525 5.054 4.527 0.004 0.000 0.320 287 F C -1.050 174.765 175.800 0.025 0.000 1.118 287 F CA -1.340 56.703 58.000 0.071 0.000 0.915 287 F CB 1.414 40.509 39.000 0.159 0.000 1.161 287 F HN 0.340 nan 8.300 nan 0.000 0.445 288 D N 3.427 123.866 120.400 0.066 0.000 2.175 288 D HA 0.630 5.273 4.640 0.004 0.000 0.248 288 D C -0.683 175.647 176.300 0.051 0.000 1.047 288 D CA 0.072 54.004 54.000 -0.113 0.000 0.883 288 D CB 1.573 42.334 40.800 -0.065 0.000 1.180 288 D HN 0.463 nan 8.370 nan 0.000 0.438 289 F N 0.000 120.040 119.950 0.150 0.000 2.286 289 F HA 0.000 4.530 4.527 0.005 0.000 0.279 289 F CA 0.000 58.085 58.000 0.142 0.000 1.383 289 F CB 0.000 39.109 39.000 0.183 0.000 1.145 289 F HN 0.000 nan 8.300 nan 0.000 0.574