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 1v34_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLLREVTREE RKNFYTNEWK VKDIPDFIVK TLELREFGFD HSGEGPSDRK DATA SEQUENCE NQYTDIRDLE DYIRATAPYA VYSSVALYEK PQEMEGWLGT ELVFDIDAKD DATA SEQUENCE LPLRRCEHEP GTVCPICLND AKEIVRDTVI ILREELGFND IHIIYSGRGY DATA SEQUENCE HIRVLDEWAL KLDSKSRERI LSFVSASEIE DVEEFRKLLL NKRGWFVLNH DATA SEQUENCE GYPRAFRLRF GYFILRIKLP HLINAGIRKS IAKSILKSKE EIYEEFVRKA DATA SEQUENCE ILAAFPQGVG IESLAKLFAL STRFSKSYFD GRVTVDLKRI LRLPSTLHSK DATA SEQUENCE VGLIAKYVGT NERDVMRFNP FKHAVPKFRK EEVKVEYKKF LESLGT 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 0.000 176.319 176.300 0.031 0.000 1.140 1 M CA 0.000 55.314 55.300 0.023 0.000 0.988 1 M CB 0.000 32.609 32.600 0.014 0.000 1.302 2 L N 0.929 122.173 121.223 0.034 0.000 1.989 2 L HA 0.190 4.531 4.340 0.001 0.000 0.211 2 L C -0.145 176.788 176.870 0.104 0.000 1.071 2 L CA 2.049 56.932 54.840 0.072 0.000 0.749 2 L CB -0.003 42.067 42.059 0.018 0.000 0.890 2 L HN 0.485 nan 8.230 nan 0.000 0.431 3 L N -0.052 121.208 121.223 0.061 0.000 2.346 3 L HA 0.519 4.860 4.340 0.001 0.000 0.274 3 L C -0.182 176.691 176.870 0.005 0.000 1.007 3 L CA -0.283 54.573 54.840 0.027 0.000 0.818 3 L CB 1.470 43.534 42.059 0.009 0.000 1.284 3 L HN 0.424 nan 8.230 nan 0.000 0.424 4 R N -0.027 120.471 120.500 -0.002 0.000 2.728 4 R HA 0.485 4.826 4.340 0.001 0.000 0.274 4 R C -1.082 175.233 176.300 0.026 0.000 1.032 4 R CA -0.930 55.180 56.100 0.016 0.000 0.866 4 R CB 1.349 31.665 30.300 0.026 0.000 1.263 4 R HN 0.336 nan 8.270 nan 0.000 0.475 5 E N 0.953 121.182 120.200 0.048 0.000 2.392 5 E HA 0.236 4.586 4.350 0.001 0.000 0.264 5 E C -1.214 175.421 176.600 0.059 0.000 1.024 5 E CA -0.261 56.180 56.400 0.068 0.000 0.903 5 E CB 1.315 31.071 29.700 0.094 0.000 0.963 5 E HN 0.451 nan 8.360 nan 0.000 0.432 6 V N 4.262 124.201 119.914 0.041 0.000 2.581 6 V HA 0.450 4.571 4.120 0.001 0.000 0.303 6 V C 0.140 176.257 176.094 0.038 0.000 1.041 6 V CA 0.091 62.422 62.300 0.051 0.000 0.907 6 V CB 1.808 33.660 31.823 0.047 0.000 0.994 6 V HN 1.019 nan 8.190 nan 0.000 0.442 7 T N 3.819 118.393 114.554 0.033 0.000 2.788 7 T HA 0.308 4.659 4.350 0.001 0.000 0.280 7 T C 1.242 175.948 174.700 0.010 0.000 0.984 7 T CA -0.330 61.788 62.100 0.030 0.000 0.972 7 T CB 0.676 69.555 68.868 0.018 0.000 1.039 7 T HN 0.592 nan 8.240 nan 0.000 0.530 8 R N 0.456 120.975 120.500 0.030 0.000 2.081 8 R HA -0.059 4.282 4.340 0.001 0.000 0.235 8 R C 2.326 178.621 176.300 -0.009 0.000 1.131 8 R CA 1.671 57.790 56.100 0.031 0.000 0.960 8 R CB -0.679 29.646 30.300 0.041 0.000 0.856 8 R HN 0.755 nan 8.270 nan 0.000 0.436 9 E N 0.612 120.795 120.200 -0.028 0.000 2.072 9 E HA -0.134 4.217 4.350 0.001 0.000 0.191 9 E C 1.916 178.437 176.600 -0.132 0.000 0.985 9 E CA 1.102 57.468 56.400 -0.057 0.000 0.801 9 E CB -0.070 29.603 29.700 -0.046 0.000 0.750 9 E HN 0.407 nan 8.360 nan 0.000 0.452 10 E N 0.272 120.358 120.200 -0.191 0.000 2.085 10 E HA -0.229 4.122 4.350 0.001 0.000 0.194 10 E C 2.189 178.502 176.600 -0.479 0.000 0.994 10 E CA 0.979 57.105 56.400 -0.458 0.000 0.801 10 E CB -0.102 29.349 29.700 -0.415 0.000 0.743 10 E HN 0.090 nan 8.360 nan 0.000 0.453 11 R N 1.290 121.665 120.500 -0.209 0.000 2.073 11 R HA -0.082 4.259 4.340 0.001 0.000 0.229 11 R C 2.085 178.420 176.300 0.057 0.000 1.120 11 R CA 1.147 57.205 56.100 -0.070 0.000 0.967 11 R CB 0.157 30.459 30.300 0.004 0.000 0.862 11 R HN -0.020 nan 8.270 nan 0.000 0.436 12 K N 0.401 120.813 120.400 0.021 0.000 2.032 12 K HA -0.190 4.131 4.320 0.001 0.000 0.209 12 K C 1.955 178.569 176.600 0.023 0.000 1.048 12 K CA 1.651 57.965 56.287 0.045 0.000 0.927 12 K CB -0.418 32.085 32.500 0.004 0.000 0.712 12 K HN 0.345 nan 8.250 nan 0.000 0.441 13 N N 0.629 119.296 118.700 -0.055 0.000 2.223 13 N HA -0.193 4.548 4.740 0.001 0.000 0.185 13 N C 1.844 177.315 175.510 -0.064 0.000 1.016 13 N CA 0.910 53.914 53.050 -0.077 0.000 0.863 13 N CB -0.047 38.355 38.487 -0.140 0.000 0.983 13 N HN 0.120 nan 8.380 nan 0.000 0.429 14 F N 0.931 120.734 119.950 -0.245 0.000 2.113 14 F HA -0.065 4.463 4.527 0.002 0.000 0.297 14 F C 1.546 177.262 175.800 -0.141 0.000 1.103 14 F CA 1.167 59.040 58.000 -0.210 0.000 1.248 14 F CB -0.628 38.185 39.000 -0.312 0.000 0.999 14 F HN -0.008 nan 8.300 nan 0.000 0.475 15 Y N -0.385 119.934 120.300 0.032 0.000 2.616 15 Y HA -0.077 4.474 4.550 0.001 0.000 0.296 15 Y C 2.150 178.048 175.900 -0.004 0.000 1.154 15 Y CA 1.053 59.131 58.100 -0.037 0.000 1.325 15 Y CB -0.246 38.181 38.460 -0.056 0.000 1.007 15 Y HN 0.055 nan 8.280 nan 0.000 0.542 16 T N -1.300 113.292 114.554 0.063 0.000 3.042 16 T HA 0.020 4.371 4.350 0.001 0.000 0.245 16 T C 1.397 176.091 174.700 -0.010 0.000 1.029 16 T CA 0.675 62.800 62.100 0.040 0.000 1.120 16 T CB 0.096 68.975 68.868 0.018 0.000 0.917 16 T HN 0.283 nan 8.240 nan 0.000 0.467 17 N N 0.332 118.994 118.700 -0.063 0.000 2.257 17 N HA 0.168 4.908 4.740 0.001 0.000 0.200 17 N C 1.289 176.730 175.510 -0.115 0.000 1.163 17 N CA 0.354 53.363 53.050 -0.068 0.000 0.891 17 N CB 0.952 39.417 38.487 -0.036 0.000 1.067 17 N HN 0.440 nan 8.380 nan 0.000 0.497 18 E N -0.438 119.607 120.200 -0.258 0.000 2.288 18 E HA 0.017 4.368 4.350 0.001 0.000 0.200 18 E C -0.133 176.215 176.600 -0.419 0.000 0.880 18 E CA -0.448 55.768 56.400 -0.307 0.000 0.971 18 E CB 0.283 29.859 29.700 -0.206 0.000 0.954 18 E HN 0.097 nan 8.360 nan 0.000 0.489 19 W N 4.116 124.788 121.300 -1.046 0.000 2.385 19 W HA -0.052 4.609 4.660 0.002 0.000 0.336 19 W C -0.418 175.969 176.519 -0.219 0.000 1.351 19 W CA 0.435 57.402 57.345 -0.629 0.000 1.295 19 W CB 0.284 29.463 29.460 -0.467 0.000 1.239 19 W HN -0.244 nan 8.180 nan 0.000 0.565 20 K N 5.953 125.999 120.400 -0.591 0.000 2.394 20 K HA 0.224 4.545 4.320 0.001 0.000 0.260 20 K C 0.640 176.721 176.600 -0.865 0.000 0.967 20 K CA -0.741 55.177 56.287 -0.615 0.000 0.855 20 K CB 1.863 34.191 32.500 -0.287 0.000 1.101 20 K HN 0.336 nan 8.250 nan 0.000 0.433 21 V N 3.672 122.996 119.914 -0.983 0.000 2.278 21 V HA -0.376 3.745 4.120 0.001 0.000 0.251 21 V C 2.185 178.060 176.094 -0.364 0.000 1.062 21 V CA 2.116 63.965 62.300 -0.751 0.000 1.038 21 V CB -0.652 30.863 31.823 -0.512 0.000 0.646 21 V HN 0.836 nan 8.190 nan 0.000 0.447 22 K N 0.074 120.307 120.400 -0.279 0.000 2.366 22 K HA -0.269 4.052 4.320 0.001 0.000 0.202 22 K C 1.367 177.886 176.600 -0.135 0.000 1.045 22 K CA 2.122 58.307 56.287 -0.170 0.000 0.934 22 K CB -0.544 31.875 32.500 -0.136 0.000 0.746 22 K HN 0.484 nan 8.250 nan 0.000 0.470 23 D N 1.126 121.439 120.400 -0.146 0.000 2.317 23 D HA 0.037 4.678 4.640 0.001 0.000 0.211 23 D C 0.673 176.964 176.300 -0.016 0.000 0.966 23 D CA 0.456 54.425 54.000 -0.052 0.000 0.876 23 D CB 0.063 40.863 40.800 0.000 0.000 0.927 23 D HN 0.296 nan 8.370 nan 0.000 0.519 24 I N 4.391 124.943 120.570 -0.030 0.000 2.581 24 I HA 0.016 4.187 4.170 0.001 0.000 0.285 24 I C -1.893 174.144 176.117 -0.133 0.000 1.129 24 I CA -1.437 59.856 61.300 -0.011 0.000 1.397 24 I CB 0.435 38.450 38.000 0.025 0.000 1.399 24 I HN -0.245 nan 8.210 nan 0.000 0.537 25 P HA -0.104 nan 4.420 nan 0.000 0.264 25 P C 0.245 177.329 177.300 -0.360 0.000 1.183 25 P CA 0.090 62.953 63.100 -0.395 0.000 0.763 25 P CB 0.895 32.296 31.700 -0.499 0.000 0.807 26 D N 2.331 122.584 120.400 -0.244 0.000 2.149 26 D HA -0.201 4.440 4.640 0.001 0.000 0.194 26 D C 1.658 177.906 176.300 -0.086 0.000 1.001 26 D CA 1.475 55.399 54.000 -0.127 0.000 0.849 26 D CB -0.325 40.441 40.800 -0.057 0.000 0.939 26 D HN 0.541 nan 8.370 nan 0.000 0.449 27 F N 0.014 119.852 119.950 -0.188 0.000 2.307 27 F HA -0.040 4.488 4.527 0.001 0.000 0.301 27 F C 2.055 177.804 175.800 -0.084 0.000 1.076 27 F CA 0.674 58.593 58.000 -0.135 0.000 1.383 27 F CB -0.612 38.250 39.000 -0.231 0.000 1.055 27 F HN -0.063 nan 8.300 nan 0.000 0.526 28 I N -0.163 119.972 120.570 -0.725 0.000 2.585 28 I HA -0.115 4.056 4.170 0.001 0.000 0.254 28 I C 2.246 178.263 176.117 -0.167 0.000 1.129 28 I CA 0.445 61.441 61.300 -0.505 0.000 1.455 28 I CB -0.267 37.377 38.000 -0.593 0.000 1.111 28 I HN 0.041 nan 8.210 nan 0.000 0.433 29 V N 1.110 120.940 119.914 -0.139 0.000 2.358 29 V HA -0.241 3.880 4.120 0.001 0.000 0.246 29 V C 2.295 178.387 176.094 -0.004 0.000 1.047 29 V CA 1.713 63.989 62.300 -0.040 0.000 1.035 29 V CB -0.673 31.118 31.823 -0.054 0.000 0.658 29 V HN 0.353 nan 8.190 nan 0.000 0.452 30 K N 0.460 120.855 120.400 -0.008 0.000 2.280 30 K HA -0.108 4.212 4.320 0.001 0.000 0.202 30 K C 1.468 178.088 176.600 0.033 0.000 1.047 30 K CA 1.697 57.995 56.287 0.018 0.000 0.942 30 K CB -0.220 32.297 32.500 0.029 0.000 0.739 30 K HN 0.693 nan 8.250 nan 0.000 0.457 31 T N -1.620 112.954 114.554 0.035 0.000 3.248 31 T HA 0.155 4.506 4.350 0.001 0.000 0.271 31 T C 1.129 175.879 174.700 0.083 0.000 1.005 31 T CA -0.424 61.705 62.100 0.048 0.000 0.902 31 T CB 0.134 69.025 68.868 0.039 0.000 1.102 31 T HN -0.021 nan 8.240 nan 0.000 0.548 32 L N 1.823 123.112 121.223 0.110 0.000 2.079 32 L HA 0.010 4.351 4.340 0.001 0.000 0.210 32 L C 2.217 179.224 176.870 0.229 0.000 1.081 32 L CA 1.873 56.838 54.840 0.208 0.000 0.752 32 L CB -0.419 41.741 42.059 0.168 0.000 0.896 32 L HN 0.321 nan 8.230 nan 0.000 0.433 33 E N -0.677 119.610 120.200 0.145 0.000 2.338 33 E HA -0.144 4.207 4.350 0.001 0.000 0.197 33 E C 1.907 178.585 176.600 0.130 0.000 1.007 33 E CA 0.997 57.473 56.400 0.126 0.000 0.849 33 E CB -0.116 29.631 29.700 0.080 0.000 0.774 33 E HN 0.577 nan 8.360 nan 0.000 0.506 34 L N 0.021 121.321 121.223 0.128 0.000 2.585 34 L HA 0.176 4.517 4.340 0.001 0.000 0.226 34 L C 0.823 177.799 176.870 0.177 0.000 1.113 34 L CA -0.021 54.893 54.840 0.123 0.000 0.876 34 L CB 0.140 42.231 42.059 0.054 0.000 1.072 34 L HN -0.116 nan 8.230 nan 0.000 0.468 35 R N 0.705 121.317 120.500 0.187 0.000 2.536 35 R HA 0.326 4.667 4.340 0.001 0.000 0.279 35 R C -0.043 176.370 176.300 0.190 0.000 1.001 35 R CA -0.532 55.648 56.100 0.134 0.000 1.027 35 R CB 1.506 31.773 30.300 -0.056 0.000 1.096 35 R HN -0.066 nan 8.270 nan 0.000 0.502 36 E N 2.425 122.676 120.200 0.085 0.000 2.191 36 E HA 0.215 4.566 4.350 0.001 0.000 0.278 36 E C -1.262 175.266 176.600 -0.120 0.000 0.972 36 E CA -0.462 55.986 56.400 0.081 0.000 0.804 36 E CB 0.856 30.589 29.700 0.054 0.000 1.110 36 E HN 0.273 nan 8.360 nan 0.000 0.394 37 F N 1.162 121.115 119.950 0.004 0.000 2.469 37 F HA 0.535 5.063 4.527 0.002 0.000 0.332 37 F C 0.795 176.400 175.800 -0.325 0.000 1.103 37 F CA -0.431 57.483 58.000 -0.143 0.000 0.979 37 F CB 2.260 41.227 39.000 -0.056 0.000 1.137 37 F HN 0.447 nan 8.300 nan 0.000 0.463 38 G N 2.443 111.057 108.800 -0.310 0.000 2.495 38 G HA2 0.692 4.653 3.960 0.001 0.000 0.318 38 G HA3 0.692 4.653 3.960 0.001 0.000 0.318 38 G C -1.833 172.838 174.900 -0.382 0.000 1.257 38 G CA -0.499 44.463 45.100 -0.231 0.000 0.962 38 G HN 0.379 nan 8.290 nan 0.000 0.483 39 F N 0.262 120.357 119.950 0.243 0.000 2.546 39 F HA 0.458 4.985 4.527 0.001 0.000 0.320 39 F C -0.377 175.505 175.800 0.136 0.000 1.076 39 F CA -0.969 57.106 58.000 0.125 0.000 0.928 39 F CB 2.919 41.885 39.000 -0.056 0.000 1.189 39 F HN 0.258 nan 8.300 nan 0.000 0.465 40 D N 0.854 121.411 120.400 0.261 0.000 2.461 40 D HA 0.259 4.900 4.640 0.001 0.000 0.240 40 D C 0.150 176.537 176.300 0.145 0.000 1.094 40 D CA -0.150 54.000 54.000 0.250 0.000 0.868 40 D CB 0.529 41.525 40.800 0.327 0.000 1.062 40 D HN 0.545 nan 8.370 nan 0.000 0.530 41 H N 0.896 120.074 119.070 0.180 0.000 2.268 41 H HA -0.038 4.519 4.556 0.001 0.000 0.313 41 H C 2.098 177.493 175.328 0.110 0.000 1.056 41 H CA 1.871 57.993 56.048 0.123 0.000 1.369 41 H CB 0.026 29.830 29.762 0.070 0.000 1.422 41 H HN 0.406 nan 8.280 nan 0.000 0.520 42 S N -1.035 114.781 115.700 0.193 0.000 2.371 42 S HA 0.056 4.527 4.470 0.001 0.000 0.224 42 S C 1.862 176.416 174.600 -0.077 0.000 1.029 42 S CA 1.177 59.424 58.200 0.078 0.000 0.978 42 S CB 0.009 63.228 63.200 0.033 0.000 0.833 42 S HN 0.737 nan 8.310 nan 0.000 0.466 43 G N 1.225 109.885 108.800 -0.233 0.000 2.870 43 G HA2 -0.131 3.830 3.960 0.001 0.000 0.216 43 G HA3 -0.131 3.830 3.960 0.001 0.000 0.216 43 G C 0.720 175.391 174.900 -0.381 0.000 0.973 43 G CA 0.490 45.119 45.100 -0.784 0.000 0.807 43 G HN 0.465 nan 8.290 nan 0.000 0.573 44 E N 1.229 121.342 120.200 -0.145 0.000 2.086 44 E HA 0.228 4.578 4.350 0.001 0.000 0.200 44 E C 1.250 177.827 176.600 -0.039 0.000 1.012 44 E CA 2.125 58.488 56.400 -0.061 0.000 0.812 44 E CB -0.234 29.468 29.700 0.003 0.000 0.743 44 E HN 1.818 nan 8.360 nan 0.000 0.453 45 G N 0.375 109.176 108.800 0.002 0.000 2.369 45 G HA2 0.037 3.998 3.960 0.001 0.000 0.307 45 G HA3 0.037 3.998 3.960 0.001 0.000 0.307 45 G C -2.938 172.028 174.900 0.110 0.000 1.327 45 G CA -0.399 44.729 45.100 0.046 0.000 0.963 45 G HN 0.033 nan 8.290 nan 0.000 0.590 46 P HA 0.166 nan 4.420 nan 0.000 0.226 46 P C 1.013 178.343 177.300 0.050 0.000 1.783 46 P CA 0.583 63.729 63.100 0.075 0.000 0.980 46 P CB 0.107 31.628 31.700 -0.299 0.000 1.967 47 S N -0.820 114.947 115.700 0.112 0.000 2.439 47 S HA -0.047 4.424 4.470 0.001 0.000 0.224 47 S C 0.956 175.638 174.600 0.136 0.000 1.029 47 S CA 0.192 58.449 58.200 0.094 0.000 0.946 47 S CB -0.684 62.566 63.200 0.083 0.000 0.797 47 S HN 0.195 nan 8.310 nan 0.000 0.504 48 D N 2.758 123.306 120.400 0.247 0.000 2.398 48 D HA 0.194 4.835 4.640 0.001 0.000 0.250 48 D C 0.168 176.622 176.300 0.257 0.000 1.287 48 D CA 0.008 54.191 54.000 0.304 0.000 0.992 48 D CB 0.123 41.262 40.800 0.565 0.000 1.071 48 D HN 0.108 nan 8.370 nan 0.000 0.514 49 R N 2.059 122.641 120.500 0.138 0.000 2.843 49 R HA 0.416 4.757 4.340 0.001 0.000 0.232 49 R C 0.856 177.192 176.300 0.061 0.000 1.305 49 R CA -0.778 55.366 56.100 0.074 0.000 1.096 49 R CB 0.228 30.538 30.300 0.018 0.000 1.455 49 R HN 0.360 nan 8.270 nan 0.000 0.520 50 K N -0.656 119.753 120.400 0.016 0.000 3.341 50 K HA -0.206 4.114 4.320 0.001 0.000 0.305 50 K C -0.689 175.911 176.600 0.000 0.000 1.270 50 K CA 1.004 57.282 56.287 -0.015 0.000 0.897 50 K CB -1.495 30.987 32.500 -0.031 0.000 1.264 50 K HN 0.579 nan 8.250 nan 0.000 0.468 51 N N 1.839 120.580 118.700 0.068 0.000 2.529 51 N HA 0.157 4.898 4.740 0.001 0.000 0.278 51 N C -0.433 175.074 175.510 -0.005 0.000 1.146 51 N CA -0.271 52.792 53.050 0.020 0.000 0.980 51 N CB 1.027 39.669 38.487 0.257 0.000 1.124 51 N HN 0.223 nan 8.380 nan 0.000 0.458 52 Q N 1.573 121.176 119.800 -0.329 0.000 2.423 52 Q HA 0.450 4.791 4.340 0.001 0.000 0.278 52 Q C -1.791 173.776 176.000 -0.722 0.000 1.097 52 Q CA -0.750 54.910 55.803 -0.239 0.000 0.809 52 Q CB 1.203 29.874 28.738 -0.111 0.000 1.391 52 Q HN 0.627 nan 8.270 nan 0.000 0.428 53 Y N 0.940 121.231 120.300 -0.014 0.000 2.322 53 Y HA 0.158 4.709 4.550 0.001 0.000 0.324 53 Y C 0.957 176.847 175.900 -0.017 0.000 1.027 53 Y CA -0.490 57.567 58.100 -0.072 0.000 1.179 53 Y CB 2.124 40.458 38.460 -0.209 0.000 1.136 53 Y HN 0.840 nan 8.280 nan 0.000 0.449 54 T N -2.556 112.043 114.554 0.074 0.000 2.915 54 T HA -0.031 4.320 4.350 0.001 0.000 0.269 54 T C 0.089 174.832 174.700 0.071 0.000 1.071 54 T CA 1.167 63.304 62.100 0.061 0.000 1.132 54 T CB 0.051 68.937 68.868 0.030 0.000 0.878 54 T HN 0.416 nan 8.240 nan 0.000 0.479 55 D N 0.057 120.509 120.400 0.086 0.000 2.787 55 D HA 0.356 4.997 4.640 0.001 0.000 0.246 55 D C 0.664 176.996 176.300 0.053 0.000 1.150 55 D CA -0.738 53.298 54.000 0.060 0.000 0.864 55 D CB 2.202 43.029 40.800 0.044 0.000 1.481 55 D HN -0.012 nan 8.370 nan 0.000 0.509 56 I N 2.816 123.400 120.570 0.023 0.000 2.381 56 I HA -0.323 3.848 4.170 0.001 0.000 0.255 56 I C 2.404 178.506 176.117 -0.025 0.000 1.140 56 I CA 1.761 63.053 61.300 -0.013 0.000 1.404 56 I CB -0.044 37.944 38.000 -0.019 0.000 1.075 56 I HN 0.402 nan 8.210 nan 0.000 0.433 57 R N -0.103 120.395 120.500 -0.003 0.000 2.083 57 R HA -0.192 4.149 4.340 0.001 0.000 0.237 57 R C 1.766 178.078 176.300 0.020 0.000 1.137 57 R CA 2.120 58.221 56.100 0.003 0.000 0.951 57 R CB -1.463 28.844 30.300 0.011 0.000 0.851 57 R HN 0.276 nan 8.270 nan 0.000 0.434 58 D N 0.914 121.347 120.400 0.056 0.000 2.123 58 D HA -0.164 4.477 4.640 0.001 0.000 0.196 58 D C 1.814 178.116 176.300 0.004 0.000 0.992 58 D CA 1.325 55.399 54.000 0.123 0.000 0.833 58 D CB -0.168 40.794 40.800 0.269 0.000 0.954 58 D HN 0.141 nan 8.370 nan 0.000 0.455 59 L N 0.999 122.061 121.223 -0.269 0.000 1.989 59 L HA -0.185 4.156 4.340 0.001 0.000 0.211 59 L C 2.041 178.806 176.870 -0.176 0.000 1.071 59 L CA 1.896 56.307 54.840 -0.715 0.000 0.749 59 L CB -0.630 41.017 42.059 -0.685 0.000 0.890 59 L HN 0.059 nan 8.230 nan 0.000 0.431 60 E N -0.877 119.344 120.200 0.034 0.000 2.058 60 E HA -0.270 4.080 4.350 0.001 0.000 0.194 60 E C 1.787 178.495 176.600 0.180 0.000 0.997 60 E CA 1.619 58.174 56.400 0.258 0.000 0.801 60 E CB -0.156 29.604 29.700 0.100 0.000 0.746 60 E HN 0.573 nan 8.360 nan 0.000 0.450 61 D N -0.286 120.165 120.400 0.085 0.000 2.104 61 D HA -0.204 4.437 4.640 0.001 0.000 0.194 61 D C 1.767 178.086 176.300 0.032 0.000 0.994 61 D CA 1.218 55.256 54.000 0.063 0.000 0.830 61 D CB -0.540 40.299 40.800 0.065 0.000 0.959 61 D HN 0.318 nan 8.370 nan 0.000 0.452 62 Y N 1.252 121.503 120.300 -0.082 0.000 2.181 62 Y HA -0.151 4.400 4.550 0.001 0.000 0.288 62 Y C 2.296 178.041 175.900 -0.259 0.000 1.146 62 Y CA 1.213 59.225 58.100 -0.146 0.000 1.164 62 Y CB -0.307 38.071 38.460 -0.138 0.000 0.982 62 Y HN -0.080 nan 8.280 nan 0.000 0.515 63 I N -0.136 120.291 120.570 -0.239 0.000 2.202 63 I HA -0.301 3.870 4.170 0.001 0.000 0.242 63 I C 2.390 178.214 176.117 -0.488 0.000 1.091 63 I CA 1.412 62.413 61.300 -0.498 0.000 1.368 63 I CB -0.355 37.267 38.000 -0.631 0.000 1.058 63 I HN 0.152 nan 8.210 nan 0.000 0.410 64 R N 0.501 120.898 120.500 -0.171 0.000 2.189 64 R HA -0.078 4.263 4.340 0.001 0.000 0.223 64 R C 2.209 178.451 176.300 -0.098 0.000 1.092 64 R CA 1.210 57.296 56.100 -0.023 0.000 0.989 64 R CB -0.239 30.131 30.300 0.117 0.000 0.876 64 R HN 0.363 nan 8.270 nan 0.000 0.457 65 A N 0.398 123.102 122.820 -0.195 0.000 1.975 65 A HA -0.065 4.256 4.320 0.001 0.000 0.215 65 A C 2.029 179.454 177.584 -0.264 0.000 1.170 65 A CA 1.367 53.284 52.037 -0.199 0.000 0.656 65 A CB -0.113 18.767 19.000 -0.201 0.000 0.821 65 A HN 0.378 nan 8.150 nan 0.000 0.449 66 T N -4.116 110.178 114.554 -0.433 0.000 3.014 66 T HA 0.458 4.809 4.350 0.001 0.000 0.250 66 T C 1.010 175.555 174.700 -0.258 0.000 1.060 66 T CA 0.885 62.757 62.100 -0.380 0.000 1.040 66 T CB -0.127 68.366 68.868 -0.625 0.000 0.971 66 T HN 1.586 nan 8.240 nan 0.000 0.497 67 A N 2.809 125.444 122.820 -0.309 0.000 2.511 67 A HA -0.079 4.242 4.320 0.001 0.000 0.297 67 A C -1.722 175.768 177.584 -0.157 0.000 1.476 67 A CA 0.233 52.174 52.037 -0.160 0.000 0.757 67 A CB -2.081 16.963 19.000 0.074 0.000 1.072 67 A HN 0.571 nan 8.150 nan 0.000 0.413 68 P HA -0.057 nan 4.420 nan 0.000 0.264 68 P C 0.733 178.012 177.300 -0.036 0.000 1.179 68 P CA 0.470 63.431 63.100 -0.230 0.000 0.763 68 P CB 0.363 31.876 31.700 -0.311 0.000 0.806 69 Y N 3.614 123.880 120.300 -0.058 0.000 2.165 69 Y HA -0.058 4.493 4.550 0.002 0.000 0.286 69 Y C 0.943 176.804 175.900 -0.064 0.000 1.155 69 Y CA 2.179 60.271 58.100 -0.013 0.000 1.164 69 Y CB 0.032 38.502 38.460 0.017 0.000 0.978 69 Y HN 0.565 nan 8.280 nan 0.000 0.513 70 A N -0.648 122.200 122.820 0.047 0.000 2.520 70 A HA 0.634 4.955 4.320 0.001 0.000 0.298 70 A C -1.770 175.628 177.584 -0.310 0.000 1.051 70 A CA -0.599 51.307 52.037 -0.218 0.000 0.690 70 A CB 1.388 20.266 19.000 -0.203 0.000 1.281 70 A HN -0.089 nan 8.150 nan 0.000 0.402 71 V N 2.218 121.850 119.914 -0.470 0.000 2.448 71 V HA 0.567 4.687 4.120 0.001 0.000 0.295 71 V C -1.270 174.516 176.094 -0.514 0.000 1.025 71 V CA -0.324 61.782 62.300 -0.324 0.000 0.859 71 V CB 0.903 32.643 31.823 -0.138 0.000 0.988 71 V HN 0.770 nan 8.190 nan 0.000 0.431 72 Y N 1.908 122.123 120.300 -0.142 0.000 2.499 72 Y HA 0.695 5.246 4.550 0.002 0.000 0.347 72 Y C 0.326 176.068 175.900 -0.262 0.000 0.987 72 Y CA -0.653 57.357 58.100 -0.151 0.000 1.044 72 Y CB 2.360 40.736 38.460 -0.140 0.000 1.245 72 Y HN 0.578 nan 8.280 nan 0.000 0.461 73 S N 1.374 116.996 115.700 -0.130 0.000 2.526 73 S HA 0.653 5.124 4.470 0.001 0.000 0.293 73 S C -0.648 173.791 174.600 -0.268 0.000 1.092 73 S CA -0.708 57.202 58.200 -0.483 0.000 0.980 73 S CB 0.840 63.763 63.200 -0.463 0.000 1.048 73 S HN 0.750 nan 8.310 nan 0.000 0.483 74 S N 2.369 117.895 115.700 -0.290 0.000 2.601 74 S HA 0.353 4.824 4.470 0.001 0.000 0.271 74 S C 1.105 175.645 174.600 -0.099 0.000 1.305 74 S CA -0.163 57.973 58.200 -0.108 0.000 1.022 74 S CB 0.936 64.159 63.200 0.038 0.000 0.940 74 S HN 1.473 nan 8.310 nan 0.000 0.525 75 V N -1.504 118.374 119.914 -0.060 0.000 3.647 75 V HA 0.558 4.679 4.120 0.001 0.000 0.279 75 V C 0.812 176.870 176.094 -0.060 0.000 1.314 75 V CA 0.058 62.333 62.300 -0.041 0.000 1.125 75 V CB -1.353 30.453 31.823 -0.028 0.000 0.907 75 V HN 1.013 nan 8.190 nan 0.000 0.434 76 A N 1.181 123.936 122.820 -0.110 0.000 2.304 76 A HA 0.794 5.115 4.320 0.001 0.000 0.301 76 A C -0.406 176.918 177.584 -0.434 0.000 1.132 76 A CA -0.561 51.330 52.037 -0.243 0.000 0.819 76 A CB 0.680 19.458 19.000 -0.369 0.000 1.094 76 A HN 0.465 nan 8.150 nan 0.000 0.492 77 L N 2.185 123.126 121.223 -0.469 0.000 2.296 77 L HA 0.538 4.879 4.340 0.001 0.000 0.286 77 L C -1.168 175.489 176.870 -0.356 0.000 1.023 77 L CA -0.403 54.241 54.840 -0.328 0.000 0.812 77 L CB 0.757 42.674 42.059 -0.236 0.000 1.223 77 L HN 0.761 nan 8.230 nan 0.000 0.421 78 Y N 0.195 120.497 120.300 0.003 0.000 2.602 78 Y HA 0.302 4.853 4.550 0.001 0.000 0.342 78 Y C 0.802 176.710 175.900 0.014 0.000 1.029 78 Y CA -0.945 57.171 58.100 0.027 0.000 1.080 78 Y CB 1.473 39.970 38.460 0.062 0.000 1.284 78 Y HN 0.482 nan 8.280 nan 0.000 0.485 79 E N 0.369 120.689 120.200 0.201 0.000 2.447 79 E HA 0.099 4.449 4.350 0.001 0.000 0.195 79 E C -0.524 176.129 176.600 0.089 0.000 1.028 79 E CA 0.444 56.908 56.400 0.107 0.000 0.876 79 E CB 0.328 30.073 29.700 0.076 0.000 0.885 79 E HN 0.406 nan 8.360 nan 0.000 0.500 80 K N 0.611 121.070 120.400 0.098 0.000 2.895 80 K HA 0.180 4.501 4.320 0.001 0.000 0.191 80 K C -2.470 174.086 176.600 -0.074 0.000 1.117 80 K CA -1.287 55.008 56.287 0.013 0.000 0.988 80 K CB 1.794 34.288 32.500 -0.010 0.000 1.181 80 K HN -0.167 nan 8.250 nan 0.000 0.598 81 P HA -0.232 nan 4.420 nan 0.000 0.218 81 P C 1.305 178.503 177.300 -0.170 0.000 1.148 81 P CA 1.042 64.084 63.100 -0.097 0.000 0.822 81 P CB 0.378 32.138 31.700 0.100 0.000 0.784 82 Q N 0.651 120.391 119.800 -0.099 0.000 2.297 82 Q HA -0.192 4.149 4.340 0.001 0.000 0.208 82 Q C 1.228 177.155 176.000 -0.121 0.000 0.981 82 Q CA 1.767 57.513 55.803 -0.095 0.000 0.876 82 Q CB -0.685 28.009 28.738 -0.074 0.000 0.921 82 Q HN 0.314 nan 8.270 nan 0.000 0.446 83 E N -0.960 119.143 120.200 -0.160 0.000 2.601 83 E HA 0.217 4.568 4.350 0.001 0.000 0.219 83 E C -0.358 176.087 176.600 -0.258 0.000 0.964 83 E CA 0.114 56.420 56.400 -0.156 0.000 1.050 83 E CB 0.353 29.996 29.700 -0.094 0.000 1.068 83 E HN 0.260 nan 8.360 nan 0.000 0.496 84 M N 1.622 120.907 119.600 -0.525 0.000 2.249 84 M HA -0.196 4.285 4.480 0.001 0.000 0.198 84 M C -0.903 175.123 176.300 -0.458 0.000 0.394 84 M CA 0.967 55.631 55.300 -1.061 0.000 0.427 84 M CB -1.165 31.090 32.600 -0.576 0.000 1.307 84 M HN 0.041 nan 8.290 nan 0.000 0.924 85 E N -0.048 120.031 120.200 -0.202 0.000 2.343 85 E HA 0.677 5.028 4.350 0.001 0.000 0.270 85 E C 0.666 177.402 176.600 0.227 0.000 0.895 85 E CA 0.310 56.763 56.400 0.088 0.000 0.767 85 E CB 1.978 31.690 29.700 0.021 0.000 1.248 85 E HN 0.453 nan 8.360 nan 0.000 0.440 86 G N 1.794 110.740 108.800 0.245 0.000 2.303 86 G HA2 -0.250 3.711 3.960 0.001 0.000 0.260 86 G HA3 -0.250 3.711 3.960 0.001 0.000 0.260 86 G C -0.422 174.644 174.900 0.276 0.000 1.106 86 G CA 0.017 45.245 45.100 0.214 0.000 0.900 86 G HN 0.462 nan 8.290 nan 0.000 0.495 87 W N 0.427 121.810 121.300 0.138 0.000 2.385 87 W HA 0.425 5.086 4.660 0.002 0.000 0.336 87 W C 0.794 177.301 176.519 -0.021 0.000 1.351 87 W CA 0.407 57.766 57.345 0.024 0.000 1.295 87 W CB 0.285 29.746 29.460 0.003 0.000 1.239 87 W HN 0.199 nan 8.180 nan 0.000 0.565 88 L N 6.646 127.440 121.223 -0.715 0.000 2.766 88 L HA 0.469 4.810 4.340 0.001 0.000 0.242 88 L C 1.009 177.216 176.870 -1.106 0.000 1.136 88 L CA 0.326 54.752 54.840 -0.690 0.000 0.933 88 L CB -0.673 41.183 42.059 -0.339 0.000 1.241 88 L HN 0.723 nan 8.230 nan 0.000 0.522 89 G N -0.448 107.152 108.800 -2.001 0.000 2.326 89 G HA2 0.102 4.063 3.960 0.001 0.000 0.413 89 G HA3 0.102 4.063 3.960 0.001 0.000 0.413 89 G C -0.996 173.665 174.900 -0.398 0.000 1.444 89 G CA -0.820 43.466 45.100 -1.356 0.000 1.002 89 G HN -0.217 nan 8.290 nan 0.000 0.649 90 T N 1.375 115.996 114.554 0.113 0.000 2.921 90 T HA 0.547 4.897 4.350 0.001 0.000 0.297 90 T C -0.087 174.618 174.700 0.009 0.000 1.013 90 T CA -0.657 61.522 62.100 0.131 0.000 0.990 90 T CB 1.725 70.741 68.868 0.247 0.000 1.023 90 T HN 0.681 nan 8.240 nan 0.000 0.447 91 E N 1.682 121.862 120.200 -0.032 0.000 2.415 91 E HA 0.137 4.488 4.350 0.001 0.000 0.262 91 E C -0.180 176.343 176.600 -0.129 0.000 1.038 91 E CA -0.340 56.019 56.400 -0.069 0.000 0.921 91 E CB 0.918 30.613 29.700 -0.008 0.000 0.950 91 E HN 0.425 nan 8.360 nan 0.000 0.438 92 L N 3.854 124.948 121.223 -0.216 0.000 2.407 92 L HA 0.154 4.495 4.340 0.001 0.000 0.282 92 L C -1.018 175.679 176.870 -0.287 0.000 1.110 92 L CA -0.330 54.323 54.840 -0.311 0.000 0.863 92 L CB 0.286 42.089 42.059 -0.427 0.000 1.207 92 L HN 0.300 nan 8.230 nan 0.000 0.454 93 V N 5.399 125.094 119.914 -0.365 0.000 2.667 93 V HA 0.511 4.632 4.120 0.001 0.000 0.308 93 V C -0.596 175.195 176.094 -0.504 0.000 1.048 93 V CA -0.509 61.638 62.300 -0.255 0.000 0.928 93 V CB 1.969 33.702 31.823 -0.150 0.000 1.004 93 V HN 0.465 nan 8.190 nan 0.000 0.444 94 F N 1.524 121.496 119.950 0.038 0.000 2.547 94 F HA 0.507 5.035 4.527 0.001 0.000 0.316 94 F C -0.377 175.553 175.800 0.217 0.000 1.121 94 F CA -0.778 57.308 58.000 0.143 0.000 0.911 94 F CB 1.852 40.973 39.000 0.200 0.000 1.179 94 F HN 0.486 nan 8.300 nan 0.000 0.443 95 D N 3.860 124.496 120.400 0.394 0.000 2.381 95 D HA 0.509 5.150 4.640 0.001 0.000 0.235 95 D C -0.974 175.521 176.300 0.326 0.000 1.068 95 D CA -0.107 54.104 54.000 0.351 0.000 0.832 95 D CB 0.892 41.820 40.800 0.215 0.000 1.101 95 D HN 0.444 nan 8.370 nan 0.000 0.515 96 I N 3.368 124.096 120.570 0.263 0.000 2.428 96 I HA 0.265 4.436 4.170 0.001 0.000 0.279 96 I C -0.482 175.698 176.117 0.105 0.000 1.040 96 I CA -0.775 60.582 61.300 0.094 0.000 1.171 96 I CB 1.196 39.191 38.000 -0.007 0.000 1.312 96 I HN 0.249 nan 8.210 nan 0.000 0.470 97 D N 3.887 124.339 120.400 0.086 0.000 2.210 97 D HA 0.406 5.047 4.640 0.001 0.000 0.249 97 D C 0.842 177.179 176.300 0.063 0.000 1.062 97 D CA -0.143 53.900 54.000 0.072 0.000 0.891 97 D CB 2.059 42.913 40.800 0.091 0.000 1.186 97 D HN 0.554 nan 8.370 nan 0.000 0.432 98 A N 2.470 125.327 122.820 0.063 0.000 2.095 98 A HA -0.067 4.254 4.320 0.001 0.000 0.212 98 A C 1.691 179.338 177.584 0.105 0.000 1.162 98 A CA 0.518 52.606 52.037 0.085 0.000 0.753 98 A CB -0.257 18.807 19.000 0.107 0.000 0.840 98 A HN 0.607 nan 8.150 nan 0.000 0.468 99 K N -0.382 120.077 120.400 0.097 0.000 2.155 99 K HA -0.033 4.288 4.320 0.001 0.000 0.203 99 K C -0.445 176.229 176.600 0.123 0.000 1.052 99 K CA 1.331 57.691 56.287 0.122 0.000 0.948 99 K CB -0.068 32.491 32.500 0.098 0.000 0.728 99 K HN 0.222 nan 8.250 nan 0.000 0.448 100 D N 1.361 121.828 120.400 0.112 0.000 2.894 100 D HA 0.105 4.746 4.640 0.001 0.000 0.273 100 D C -0.915 175.464 176.300 0.132 0.000 1.328 100 D CA -0.291 53.782 54.000 0.121 0.000 0.845 100 D CB 0.451 41.322 40.800 0.120 0.000 1.072 100 D HN 0.048 nan 8.370 nan 0.000 0.484 101 L N 2.977 124.272 121.223 0.119 0.000 2.255 101 L HA 0.256 4.597 4.340 0.001 0.000 0.289 101 L C -1.205 175.759 176.870 0.158 0.000 1.046 101 L CA -1.805 53.109 54.840 0.123 0.000 0.816 101 L CB 1.285 43.385 42.059 0.067 0.000 1.197 101 L HN -0.178 nan 8.230 nan 0.000 0.427 102 P HA -0.084 nan 4.420 nan 0.000 0.226 102 P C -0.160 177.294 177.300 0.257 0.000 1.153 102 P CA 0.539 63.832 63.100 0.323 0.000 0.777 102 P CB 0.522 32.505 31.700 0.471 0.000 0.794 103 L N 0.829 122.152 121.223 0.166 0.000 2.446 103 L HA 0.429 4.770 4.340 0.001 0.000 0.268 103 L C -0.660 176.204 176.870 -0.009 0.000 0.975 103 L CA -0.994 53.814 54.840 -0.052 0.000 0.848 103 L CB 1.434 43.369 42.059 -0.206 0.000 1.225 103 L HN -0.044 nan 8.230 nan 0.000 0.410 104 R N 3.065 123.526 120.500 -0.065 0.000 2.548 104 R HA 0.552 4.893 4.340 0.001 0.000 0.280 104 R C -0.077 176.163 176.300 -0.099 0.000 1.061 104 R CA -0.855 55.206 56.100 -0.064 0.000 0.915 104 R CB 1.233 31.514 30.300 -0.032 0.000 1.210 104 R HN 0.545 nan 8.270 nan 0.000 0.442 105 R N 0.555 120.988 120.500 -0.111 0.000 2.119 105 R HA -0.163 4.178 4.340 0.001 0.000 0.246 105 R C 1.083 177.344 176.300 -0.065 0.000 1.146 105 R CA 2.349 58.387 56.100 -0.102 0.000 0.962 105 R CB -0.725 29.519 30.300 -0.093 0.000 0.863 105 R HN 0.829 nan 8.270 nan 0.000 0.442 106 C N 0.689 119.961 119.300 -0.047 0.000 2.827 106 C HA 0.172 4.633 4.460 0.001 0.000 0.287 106 C C 0.753 175.682 174.990 -0.100 0.000 1.497 106 C CA -0.496 58.499 59.018 -0.038 0.000 2.161 106 C CB 0.303 28.039 27.740 -0.007 0.000 2.120 106 C HN 0.688 nan 8.230 nan 0.000 0.676 107 E N -1.111 119.014 120.200 -0.125 0.000 3.887 107 E HA 0.147 4.498 4.350 0.001 0.000 0.210 107 E C -0.428 176.122 176.600 -0.084 0.000 1.087 107 E CA -0.391 55.933 56.400 -0.127 0.000 1.464 107 E CB -1.003 28.667 29.700 -0.050 0.000 1.200 107 E HN 0.971 nan 8.360 nan 0.000 0.387 108 H N -0.198 118.898 119.070 0.044 0.000 3.232 108 H HA 0.463 5.020 4.556 0.001 0.000 0.162 108 H C -0.026 175.330 175.328 0.046 0.000 1.531 108 H CA -0.490 55.584 56.048 0.043 0.000 1.665 108 H CB 0.105 29.895 29.762 0.046 0.000 1.218 108 H HN 0.179 nan 8.280 nan 0.000 0.888 109 E N 0.937 121.430 120.200 0.489 0.000 2.231 109 E HA 0.307 4.657 4.350 0.001 0.000 0.277 109 E C -2.540 174.263 176.600 0.339 0.000 0.999 109 E CA -2.544 54.033 56.400 0.295 0.000 0.827 109 E CB 0.996 30.803 29.700 0.179 0.000 1.101 109 E HN 0.378 nan 8.360 nan 0.000 0.393 110 P HA 0.159 nan 4.420 nan 0.000 0.271 110 P C 0.148 177.538 177.300 0.151 0.000 1.216 110 P CA 0.666 63.862 63.100 0.160 0.000 0.776 110 P CB 0.958 32.728 31.700 0.116 0.000 0.881 111 G N 1.208 110.094 108.800 0.144 0.000 2.259 111 G HA2 -0.170 3.790 3.960 0.001 0.000 0.217 111 G HA3 -0.170 3.790 3.960 0.001 0.000 0.217 111 G C 0.271 175.223 174.900 0.086 0.000 1.001 111 G CA 0.294 45.459 45.100 0.108 0.000 0.627 111 G HN 0.804 nan 8.290 nan 0.000 0.501 112 T N -1.609 113.002 114.554 0.094 0.000 2.927 112 T HA 0.926 5.277 4.350 0.001 0.000 0.286 112 T C -0.048 174.642 174.700 -0.017 0.000 1.040 112 T CA -0.068 62.014 62.100 -0.030 0.000 1.010 112 T CB 2.491 71.265 68.868 -0.158 0.000 1.177 112 T HN 1.800 nan 8.240 nan 0.000 0.546 113 V N -2.485 117.335 119.914 -0.156 0.000 3.206 113 V HA 0.935 5.056 4.120 0.001 0.000 0.305 113 V C -0.361 175.688 176.094 -0.075 0.000 1.257 113 V CA -0.854 61.445 62.300 -0.002 0.000 1.057 113 V CB 0.999 32.870 31.823 0.079 0.000 1.075 113 V HN 1.773 nan 8.190 nan 0.000 0.443 114 C N -1.399 117.963 119.300 0.104 0.000 3.332 114 C HA 0.761 5.222 4.460 0.001 0.000 0.329 114 C C -2.105 172.888 174.990 0.005 0.000 1.434 114 C CA -0.896 58.113 59.018 -0.015 0.000 1.314 114 C CB 0.781 28.523 27.740 0.003 0.000 1.664 114 C HN 0.681 nan 8.230 nan 0.000 0.457 115 P HA -0.114 nan 4.420 nan 0.000 0.217 115 P C 1.491 178.810 177.300 0.032 0.000 1.148 115 P CA 1.784 64.778 63.100 -0.176 0.000 0.834 115 P CB -0.003 31.259 31.700 -0.730 0.000 0.783 116 I N -0.470 120.131 120.570 0.050 0.000 2.133 116 I HA -0.237 3.934 4.170 0.001 0.000 0.238 116 I C 2.366 178.544 176.117 0.102 0.000 1.074 116 I CA 1.591 62.955 61.300 0.106 0.000 1.342 116 I CB -1.147 36.929 38.000 0.128 0.000 1.053 116 I HN 0.103 nan 8.210 nan 0.000 0.404 117 C N 0.118 119.490 119.300 0.121 0.000 2.522 117 C HA 0.189 4.650 4.460 0.001 0.000 0.271 117 C C 2.323 177.400 174.990 0.145 0.000 1.425 117 C CA -0.358 58.728 59.018 0.114 0.000 1.751 117 C CB -1.695 26.109 27.740 0.107 0.000 1.775 117 C HN 0.457 nan 8.230 nan 0.000 0.557 118 L N 1.031 122.362 121.223 0.179 0.000 2.249 118 L HA 0.070 4.411 4.340 0.001 0.000 0.207 118 L C 2.620 179.647 176.870 0.261 0.000 1.090 118 L CA 1.332 56.314 54.840 0.237 0.000 0.802 118 L CB -0.534 41.683 42.059 0.262 0.000 0.947 118 L HN 0.380 nan 8.230 nan 0.000 0.453 119 N N -0.278 118.536 118.700 0.190 0.000 2.376 119 N HA -0.160 4.581 4.740 0.001 0.000 0.177 119 N C 1.442 177.024 175.510 0.120 0.000 1.024 119 N CA 0.789 53.931 53.050 0.154 0.000 0.893 119 N CB 0.220 38.776 38.487 0.115 0.000 0.980 119 N HN 0.119 nan 8.380 nan 0.000 0.439 120 D N 0.137 120.608 120.400 0.117 0.000 2.117 120 D HA -0.081 4.560 4.640 0.001 0.000 0.198 120 D C 1.821 178.175 176.300 0.091 0.000 0.982 120 D CA 1.173 55.259 54.000 0.144 0.000 0.828 120 D CB -0.475 40.409 40.800 0.141 0.000 0.967 120 D HN 0.381 nan 8.370 nan 0.000 0.464 121 A N 1.352 124.220 122.820 0.080 0.000 1.917 121 A HA -0.247 4.074 4.320 0.001 0.000 0.219 121 A C 2.103 179.671 177.584 -0.027 0.000 1.182 121 A CA 1.596 53.666 52.037 0.055 0.000 0.633 121 A CB -0.465 18.680 19.000 0.242 0.000 0.819 121 A HN 0.100 nan 8.150 nan 0.000 0.448 122 K N -0.553 119.866 120.400 0.032 0.000 2.009 122 K HA -0.193 4.128 4.320 0.001 0.000 0.210 122 K C 2.055 178.564 176.600 -0.152 0.000 1.049 122 K CA 1.819 58.004 56.287 -0.170 0.000 0.929 122 K CB -0.250 32.269 32.500 0.031 0.000 0.714 122 K HN 0.659 nan 8.250 nan 0.000 0.440 123 E N 0.455 120.633 120.200 -0.036 0.000 2.085 123 E HA -0.212 4.138 4.350 0.001 0.000 0.194 123 E C 2.104 178.664 176.600 -0.068 0.000 0.994 123 E CA 1.314 57.714 56.400 -0.001 0.000 0.801 123 E CB -0.190 29.576 29.700 0.112 0.000 0.743 123 E HN 0.330 nan 8.360 nan 0.000 0.453 124 I N 0.715 121.172 120.570 -0.188 0.000 2.163 124 I HA -0.264 3.907 4.170 0.001 0.000 0.243 124 I C 2.392 178.392 176.117 -0.195 0.000 1.085 124 I CA 0.874 61.980 61.300 -0.324 0.000 1.347 124 I CB -0.252 37.400 38.000 -0.579 0.000 1.044 124 I HN -0.011 nan 8.210 nan 0.000 0.408 125 V N 0.961 120.741 119.914 -0.223 0.000 2.490 125 V HA -0.252 3.868 4.120 0.001 0.000 0.250 125 V C 2.630 178.633 176.094 -0.151 0.000 1.061 125 V CA 1.669 63.845 62.300 -0.208 0.000 1.064 125 V CB -0.873 30.701 31.823 -0.416 0.000 0.670 125 V HN 0.442 nan 8.190 nan 0.000 0.461 126 R N 0.597 121.015 120.500 -0.136 0.000 2.070 126 R HA -0.198 4.143 4.340 0.001 0.000 0.232 126 R C 1.973 178.248 176.300 -0.041 0.000 1.138 126 R CA 2.341 58.394 56.100 -0.078 0.000 0.936 126 R CB -0.646 29.625 30.300 -0.047 0.000 0.839 126 R HN 0.463 nan 8.270 nan 0.000 0.429 127 D N -0.123 120.264 120.400 -0.022 0.000 2.182 127 D HA -0.105 4.535 4.640 0.001 0.000 0.201 127 D C 1.750 178.057 176.300 0.011 0.000 0.986 127 D CA 1.676 55.679 54.000 0.005 0.000 0.847 127 D CB -0.315 40.501 40.800 0.027 0.000 0.942 127 D HN 0.353 nan 8.370 nan 0.000 0.467 128 T N 0.256 114.813 114.554 0.006 0.000 2.770 128 T HA -0.065 4.285 4.350 0.001 0.000 0.263 128 T C 2.301 176.963 174.700 -0.064 0.000 1.039 128 T CA 0.545 62.641 62.100 -0.007 0.000 1.142 128 T CB -0.342 68.536 68.868 0.017 0.000 0.868 128 T HN -0.020 nan 8.240 nan 0.000 0.435 129 V N 1.574 121.450 119.914 -0.064 0.000 2.287 129 V HA -0.152 3.968 4.120 0.001 0.000 0.248 129 V C 2.420 178.503 176.094 -0.019 0.000 1.053 129 V CA 1.472 63.737 62.300 -0.058 0.000 1.027 129 V CB -0.640 31.145 31.823 -0.063 0.000 0.646 129 V HN 0.476 nan 8.190 nan 0.000 0.447 130 I N -0.324 120.241 120.570 -0.008 0.000 2.163 130 I HA -0.290 3.881 4.170 0.001 0.000 0.243 130 I C 2.261 178.401 176.117 0.038 0.000 1.085 130 I CA 1.965 63.273 61.300 0.013 0.000 1.347 130 I CB -0.368 37.640 38.000 0.013 0.000 1.044 130 I HN 0.243 nan 8.210 nan 0.000 0.408 131 I N 0.285 120.884 120.570 0.049 0.000 2.361 131 I HA -0.276 3.895 4.170 0.001 0.000 0.251 131 I C 2.422 178.610 176.117 0.118 0.000 1.133 131 I CA 1.270 62.634 61.300 0.107 0.000 1.413 131 I CB -0.247 37.831 38.000 0.130 0.000 1.073 131 I HN 0.229 nan 8.210 nan 0.000 0.424 132 L N 0.229 121.498 121.223 0.077 0.000 2.093 132 L HA -0.168 4.173 4.340 0.001 0.000 0.208 132 L C 2.783 179.774 176.870 0.202 0.000 1.085 132 L CA 1.239 56.177 54.840 0.163 0.000 0.755 132 L CB -0.405 41.686 42.059 0.054 0.000 0.904 132 L HN 0.225 nan 8.230 nan 0.000 0.435 133 R N 0.326 120.889 120.500 0.105 0.000 2.052 133 R HA -0.096 4.245 4.340 0.001 0.000 0.224 133 R C 1.977 178.288 176.300 0.019 0.000 1.149 133 R CA 1.226 57.370 56.100 0.072 0.000 0.962 133 R CB -0.035 30.288 30.300 0.039 0.000 0.856 133 R HN 0.310 nan 8.270 nan 0.000 0.433 134 E N -0.333 119.876 120.200 0.015 0.000 2.358 134 E HA -0.101 4.250 4.350 0.001 0.000 0.195 134 E C 1.195 177.773 176.600 -0.036 0.000 1.010 134 E CA 0.573 56.963 56.400 -0.016 0.000 0.856 134 E CB 0.357 30.069 29.700 0.019 0.000 0.795 134 E HN 0.367 nan 8.360 nan 0.000 0.504 135 E N -0.315 119.891 120.200 0.010 0.000 2.421 135 E HA 0.118 4.469 4.350 0.001 0.000 0.209 135 E C 1.706 178.228 176.600 -0.129 0.000 0.871 135 E CA 0.263 56.670 56.400 0.012 0.000 1.064 135 E CB 0.583 30.410 29.700 0.212 0.000 1.075 135 E HN 0.205 nan 8.360 nan 0.000 0.513 136 L N -0.361 120.777 121.223 -0.141 0.000 2.693 136 L HA 0.334 4.675 4.340 0.001 0.000 0.235 136 L C 0.964 177.613 176.870 -0.368 0.000 1.127 136 L CA 0.325 55.004 54.840 -0.268 0.000 0.914 136 L CB 0.426 42.389 42.059 -0.160 0.000 1.193 136 L HN 0.156 nan 8.230 nan 0.000 0.502 137 G N 0.848 109.514 108.800 -0.223 0.000 2.221 137 G HA2 -0.307 3.653 3.960 0.001 0.000 0.265 137 G HA3 -0.307 3.653 3.960 0.001 0.000 0.265 137 G C -0.036 174.773 174.900 -0.152 0.000 1.041 137 G CA -0.194 44.793 45.100 -0.187 0.000 0.807 137 G HN 0.215 nan 8.290 nan 0.000 0.502 138 F N 0.173 120.191 119.950 0.113 0.000 2.410 138 F HA 0.419 4.947 4.527 0.001 0.000 0.348 138 F C 1.334 177.152 175.800 0.030 0.000 1.106 138 F CA -0.717 57.340 58.000 0.096 0.000 1.163 138 F CB 1.087 40.096 39.000 0.015 0.000 1.129 138 F HN -0.012 nan 8.300 nan 0.000 0.516 139 N N 0.939 119.770 118.700 0.219 0.000 2.197 139 N HA -0.011 4.730 4.740 0.001 0.000 0.201 139 N C -0.609 174.915 175.510 0.024 0.000 1.148 139 N CA 0.252 53.357 53.050 0.092 0.000 0.883 139 N CB 0.392 38.922 38.487 0.072 0.000 1.012 139 N HN 0.488 nan 8.380 nan 0.000 0.507 140 D N 1.240 121.642 120.400 0.005 0.000 2.434 140 D HA 0.345 4.986 4.640 0.001 0.000 0.275 140 D C -0.706 175.406 176.300 -0.314 0.000 1.172 140 D CA -0.224 53.689 54.000 -0.145 0.000 0.916 140 D CB 0.107 40.858 40.800 -0.082 0.000 1.041 140 D HN 0.015 nan 8.370 nan 0.000 0.501 141 I N 2.376 122.728 120.570 -0.363 0.000 2.460 141 I HA 0.323 4.494 4.170 0.001 0.000 0.298 141 I C -0.089 175.680 176.117 -0.580 0.000 0.989 141 I CA -0.828 60.247 61.300 -0.374 0.000 1.173 141 I CB 1.591 39.485 38.000 -0.176 0.000 1.338 141 I HN 0.191 nan 8.210 nan 0.000 0.456 142 H N 6.161 125.143 119.070 -0.147 0.000 2.658 142 H HA 0.458 5.015 4.556 0.001 0.000 0.337 142 H C -1.005 174.289 175.328 -0.056 0.000 1.009 142 H CA -0.626 55.361 56.048 -0.102 0.000 1.231 142 H CB 2.140 31.798 29.762 -0.174 0.000 1.508 142 H HN 0.314 nan 8.280 nan 0.000 0.517 143 I N 4.490 125.028 120.570 -0.054 0.000 2.336 143 I HA 0.198 4.368 4.170 0.001 0.000 0.292 143 I C 0.017 176.099 176.117 -0.059 0.000 0.991 143 I CA -0.181 61.106 61.300 -0.021 0.000 1.227 143 I CB 0.917 38.870 38.000 -0.079 0.000 1.366 143 I HN 0.343 nan 8.210 nan 0.000 0.466 144 I N 6.579 127.211 120.570 0.104 0.000 2.433 144 I HA 0.256 4.427 4.170 0.001 0.000 0.292 144 I C -0.767 175.340 176.117 -0.017 0.000 1.001 144 I CA -0.719 60.620 61.300 0.064 0.000 1.119 144 I CB 1.272 39.390 38.000 0.196 0.000 1.289 144 I HN 0.349 nan 8.210 nan 0.000 0.438 145 Y N 5.164 125.310 120.300 -0.256 0.000 2.393 145 Y HA 0.231 4.782 4.550 0.002 0.000 0.338 145 Y C 1.357 177.056 175.900 -0.335 0.000 1.029 145 Y CA -0.234 57.597 58.100 -0.448 0.000 1.239 145 Y CB 1.270 39.512 38.460 -0.363 0.000 1.170 145 Y HN 0.712 nan 8.280 nan 0.000 0.515 146 S N 2.423 117.505 115.700 -1.030 0.000 2.524 146 S HA 0.340 4.811 4.470 0.001 0.000 0.216 146 S C 1.338 175.591 174.600 -0.580 0.000 0.987 146 S CA 0.401 58.159 58.200 -0.736 0.000 0.909 146 S CB 0.195 62.832 63.200 -0.940 0.000 0.781 146 S HN 1.316 nan 8.310 nan 0.000 0.521 147 G N 1.833 109.951 108.800 -1.137 0.000 2.796 147 G HA2 -0.134 3.827 3.960 0.001 0.000 0.198 147 G HA3 -0.134 3.827 3.960 0.001 0.000 0.198 147 G C 0.741 175.251 174.900 -0.651 0.000 1.062 147 G CA -0.185 44.525 45.100 -0.649 0.000 0.752 147 G HN 0.422 nan 8.290 nan 0.000 0.487 148 R N 0.410 120.522 120.500 -0.646 0.000 2.569 148 R HA 0.521 4.862 4.340 0.001 0.000 0.422 148 R C 0.671 176.800 176.300 -0.285 0.000 0.980 148 R CA 0.524 56.414 56.100 -0.351 0.000 1.164 148 R CB 1.496 31.642 30.300 -0.257 0.000 1.520 148 R HN 0.941 nan 8.270 nan 0.000 0.567 149 G N -0.195 108.264 108.800 -0.569 0.000 2.392 149 G HA2 0.216 4.177 3.960 0.001 0.000 0.260 149 G HA3 0.216 4.177 3.960 0.001 0.000 0.260 149 G C -1.979 172.494 174.900 -0.712 0.000 1.226 149 G CA -0.571 44.319 45.100 -0.349 0.000 0.913 149 G HN -0.003 nan 8.290 nan 0.000 0.483 150 Y N -0.602 119.604 120.300 -0.157 0.000 2.609 150 Y HA 0.763 5.314 4.550 0.001 0.000 0.342 150 Y C -0.496 175.427 175.900 0.039 0.000 1.058 150 Y CA -0.899 57.125 58.100 -0.127 0.000 1.055 150 Y CB 2.442 40.906 38.460 0.007 0.000 1.292 150 Y HN 0.489 nan 8.280 nan 0.000 0.476 151 H N 1.654 120.852 119.070 0.215 0.000 2.589 151 H HA 0.533 5.090 4.556 0.001 0.000 0.351 151 H C -1.082 174.372 175.328 0.209 0.000 1.074 151 H CA -1.025 55.138 56.048 0.193 0.000 1.203 151 H CB 1.676 31.527 29.762 0.149 0.000 1.558 151 H HN 0.510 nan 8.280 nan 0.000 0.522 152 I N 3.725 124.512 120.570 0.362 0.000 2.339 152 I HA 0.336 4.507 4.170 0.001 0.000 0.290 152 I C 0.046 176.317 176.117 0.256 0.000 0.994 152 I CA -0.519 60.938 61.300 0.262 0.000 1.191 152 I CB 0.812 38.941 38.000 0.216 0.000 1.343 152 I HN 0.230 nan 8.210 nan 0.000 0.458 153 R N 5.994 126.594 120.500 0.166 0.000 2.360 153 R HA 0.528 4.869 4.340 0.001 0.000 0.318 153 R C -1.157 175.120 176.300 -0.038 0.000 0.950 153 R CA -0.772 55.389 56.100 0.101 0.000 0.837 153 R CB 2.271 32.686 30.300 0.192 0.000 1.165 153 R HN 0.307 nan 8.270 nan 0.000 0.458 154 V N 4.962 124.806 119.914 -0.115 0.000 2.407 154 V HA 0.172 4.293 4.120 0.001 0.000 0.278 154 V C 0.910 176.867 176.094 -0.228 0.000 1.037 154 V CA -0.425 61.716 62.300 -0.266 0.000 0.900 154 V CB 1.680 33.174 31.823 -0.547 0.000 0.983 154 V HN 0.658 nan 8.190 nan 0.000 0.459 155 L N 2.075 123.186 121.223 -0.187 0.000 2.693 155 L HA 0.303 4.644 4.340 0.001 0.000 0.235 155 L C 0.403 177.234 176.870 -0.065 0.000 1.127 155 L CA 0.272 55.049 54.840 -0.105 0.000 0.914 155 L CB -0.236 41.788 42.059 -0.059 0.000 1.193 155 L HN 0.663 nan 8.230 nan 0.000 0.502 156 D N 1.051 121.418 120.400 -0.056 0.000 2.571 156 D HA -0.081 4.560 4.640 0.001 0.000 0.231 156 D C 1.466 177.768 176.300 0.003 0.000 1.133 156 D CA 0.326 54.362 54.000 0.060 0.000 0.862 156 D CB 0.993 41.932 40.800 0.232 0.000 1.179 156 D HN 0.016 nan 8.370 nan 0.000 0.474 157 E N 2.100 122.364 120.200 0.107 0.000 2.085 157 E HA -0.174 4.177 4.350 0.001 0.000 0.194 157 E C 2.145 178.820 176.600 0.125 0.000 0.994 157 E CA 0.989 57.443 56.400 0.091 0.000 0.801 157 E CB -0.268 29.500 29.700 0.112 0.000 0.743 157 E HN 0.776 nan 8.360 nan 0.000 0.453 158 W N 0.824 122.163 121.300 0.064 0.000 2.425 158 W HA 0.136 4.797 4.660 0.001 0.000 0.277 158 W C 1.839 178.427 176.519 0.116 0.000 1.231 158 W CA 0.912 58.300 57.345 0.071 0.000 1.248 158 W CB -1.070 28.425 29.460 0.057 0.000 1.117 158 W HN -0.018 nan 8.180 nan 0.000 0.568 159 A N 1.876 124.347 122.820 -0.582 0.000 2.019 159 A HA -0.094 4.227 4.320 0.001 0.000 0.219 159 A C 2.295 179.745 177.584 -0.225 0.000 1.164 159 A CA 1.739 53.439 52.037 -0.562 0.000 0.644 159 A CB -0.930 17.700 19.000 -0.615 0.000 0.805 159 A HN 0.372 nan 8.150 nan 0.000 0.449 160 L N -1.242 119.902 121.223 -0.131 0.000 2.217 160 L HA -0.119 4.222 4.340 0.001 0.000 0.211 160 L C 2.150 179.026 176.870 0.010 0.000 1.107 160 L CA 1.389 56.182 54.840 -0.078 0.000 0.783 160 L CB -0.329 41.650 42.059 -0.134 0.000 0.919 160 L HN 0.332 nan 8.230 nan 0.000 0.442 161 K N 0.149 120.582 120.400 0.055 0.000 2.418 161 K HA 0.122 4.443 4.320 0.001 0.000 0.195 161 K C 0.491 177.288 176.600 0.328 0.000 1.035 161 K CA 0.024 56.426 56.287 0.192 0.000 1.003 161 K CB 0.009 32.590 32.500 0.136 0.000 0.793 161 K HN 0.152 nan 8.250 nan 0.000 0.494 162 L N 3.469 124.806 121.223 0.190 0.000 2.615 162 L HA -0.107 4.234 4.340 0.001 0.000 0.284 162 L C 0.387 177.321 176.870 0.105 0.000 1.237 162 L CA -0.098 54.819 54.840 0.127 0.000 0.905 162 L CB -0.246 41.828 42.059 0.026 0.000 1.149 162 L HN 0.311 nan 8.230 nan 0.000 0.499 163 D N 0.824 121.252 120.400 0.046 0.000 2.466 163 D HA 0.116 4.757 4.640 0.001 0.000 0.262 163 D C 1.001 177.260 176.300 -0.069 0.000 1.177 163 D CA -0.495 53.475 54.000 -0.051 0.000 1.035 163 D CB 0.848 41.620 40.800 -0.047 0.000 1.105 163 D HN 0.333 nan 8.370 nan 0.000 0.551 164 S N -0.832 114.803 115.700 -0.108 0.000 2.359 164 S HA -0.211 4.259 4.470 0.001 0.000 0.222 164 S C 1.759 176.325 174.600 -0.057 0.000 1.038 164 S CA 1.236 59.380 58.200 -0.095 0.000 1.051 164 S CB -0.370 62.769 63.200 -0.102 0.000 0.944 164 S HN 0.391 nan 8.310 nan 0.000 0.433 165 K N 1.106 121.484 120.400 -0.038 0.000 2.097 165 K HA 0.080 4.401 4.320 0.001 0.000 0.206 165 K C 2.451 179.055 176.600 0.007 0.000 1.049 165 K CA 1.163 57.442 56.287 -0.014 0.000 0.933 165 K CB -0.939 31.556 32.500 -0.008 0.000 0.717 165 K HN 0.386 nan 8.250 nan 0.000 0.442 166 S N 0.907 116.616 115.700 0.016 0.000 2.370 166 S HA -0.122 4.349 4.470 0.001 0.000 0.226 166 S C 1.954 176.578 174.600 0.040 0.000 1.033 166 S CA 1.211 59.440 58.200 0.048 0.000 1.011 166 S CB -0.120 63.122 63.200 0.070 0.000 0.852 166 S HN 0.335 nan 8.310 nan 0.000 0.457 167 R N 1.017 121.513 120.500 -0.007 0.000 2.075 167 R HA -0.062 4.279 4.340 0.001 0.000 0.232 167 R C 2.484 178.763 176.300 -0.035 0.000 1.126 167 R CA 1.347 57.416 56.100 -0.051 0.000 0.963 167 R CB -0.265 29.962 30.300 -0.121 0.000 0.858 167 R HN 0.555 nan 8.270 nan 0.000 0.435 168 E N 1.208 121.395 120.200 -0.022 0.000 2.058 168 E HA -0.228 4.123 4.350 0.001 0.000 0.194 168 E C 1.997 178.624 176.600 0.044 0.000 0.997 168 E CA 1.292 57.690 56.400 -0.003 0.000 0.801 168 E CB 0.106 29.805 29.700 -0.002 0.000 0.746 168 E HN 0.238 nan 8.360 nan 0.000 0.450 169 R N 0.127 120.666 120.500 0.065 0.000 2.073 169 R HA -0.078 4.263 4.340 0.001 0.000 0.234 169 R C 2.573 178.982 176.300 0.183 0.000 1.134 169 R CA 1.605 57.772 56.100 0.112 0.000 0.952 169 R CB -0.364 29.998 30.300 0.103 0.000 0.850 169 R HN 0.331 nan 8.270 nan 0.000 0.433 170 I N 0.952 121.626 120.570 0.174 0.000 2.423 170 I HA -0.275 3.896 4.170 0.001 0.000 0.254 170 I C 2.248 178.543 176.117 0.297 0.000 1.151 170 I CA 0.769 62.218 61.300 0.249 0.000 1.421 170 I CB -0.246 37.890 38.000 0.226 0.000 1.079 170 I HN 0.174 nan 8.210 nan 0.000 0.431 171 L N 0.128 121.465 121.223 0.189 0.000 2.109 171 L HA -0.075 4.266 4.340 0.001 0.000 0.207 171 L C 2.496 179.414 176.870 0.080 0.000 1.086 171 L CA 1.726 56.642 54.840 0.126 0.000 0.760 171 L CB -0.538 41.531 42.059 0.016 0.000 0.910 171 L HN 0.002 nan 8.230 nan 0.000 0.437 172 S N -0.713 115.071 115.700 0.139 0.000 2.383 172 S HA -0.168 4.303 4.470 0.001 0.000 0.227 172 S C 1.772 176.522 174.600 0.250 0.000 1.026 172 S CA 1.489 59.786 58.200 0.161 0.000 0.981 172 S CB -0.590 62.701 63.200 0.153 0.000 0.818 172 S HN 0.544 nan 8.310 nan 0.000 0.472 173 F N 2.420 122.489 119.950 0.200 0.000 2.051 173 F HA -0.161 4.367 4.527 0.001 0.000 0.296 173 F C 2.180 178.038 175.800 0.097 0.000 1.122 173 F CA 1.310 59.471 58.000 0.268 0.000 1.201 173 F CB -0.504 38.629 39.000 0.223 0.000 0.978 173 F HN -0.047 nan 8.300 nan 0.000 0.472 174 V N -0.406 119.673 119.914 0.276 0.000 2.287 174 V HA -0.314 3.807 4.120 0.001 0.000 0.248 174 V C 2.256 178.319 176.094 -0.052 0.000 1.053 174 V CA 2.212 64.547 62.300 0.059 0.000 1.027 174 V CB -1.080 30.653 31.823 -0.150 0.000 0.646 174 V HN 0.370 nan 8.190 nan 0.000 0.447 175 S N -0.527 115.123 115.700 -0.082 0.000 2.522 175 S HA 0.266 4.736 4.470 0.001 0.000 0.227 175 S C 1.351 175.986 174.600 0.059 0.000 0.986 175 S CA 0.618 58.850 58.200 0.053 0.000 0.929 175 S CB -0.172 63.057 63.200 0.049 0.000 0.769 175 S HN 1.074 nan 8.310 nan 0.000 0.529 176 A N 1.390 124.188 122.820 -0.037 0.000 2.791 176 A HA -0.174 4.147 4.320 0.001 0.000 0.292 176 A C 1.156 178.883 177.584 0.239 0.000 1.487 176 A CA 0.812 52.784 52.037 -0.107 0.000 0.760 176 A CB -2.231 16.684 19.000 -0.142 0.000 1.031 176 A HN 0.940 nan 8.150 nan 0.000 0.503 177 S N -2.167 113.679 115.700 0.243 0.000 2.624 177 S HA 0.413 4.884 4.470 0.001 0.000 0.246 177 S C 0.701 175.409 174.600 0.180 0.000 1.072 177 S CA 0.348 58.671 58.200 0.205 0.000 1.045 177 S CB 0.247 63.524 63.200 0.129 0.000 0.851 177 S HN 0.614 nan 8.310 nan 0.000 0.480 178 E N 1.021 121.347 120.200 0.211 0.000 2.045 178 E HA 0.141 4.491 4.350 0.001 0.000 0.190 178 E C 0.099 176.673 176.600 -0.044 0.000 0.968 178 E CA 0.409 56.824 56.400 0.026 0.000 0.813 178 E CB 0.056 29.666 29.700 -0.150 0.000 0.780 178 E HN 0.484 nan 8.360 nan 0.000 0.455 179 I N 2.226 122.743 120.570 -0.089 0.000 2.452 179 I HA 0.038 4.209 4.170 0.001 0.000 0.287 179 I C 0.789 176.930 176.117 0.041 0.000 1.079 179 I CA 0.864 62.027 61.300 -0.228 0.000 1.387 179 I CB 0.720 38.364 38.000 -0.593 0.000 1.404 179 I HN 0.200 nan 8.210 nan 0.000 0.522 180 E N 2.369 122.615 120.200 0.078 0.000 2.406 180 E HA 0.048 4.399 4.350 0.001 0.000 0.204 180 E C -0.294 176.481 176.600 0.291 0.000 0.820 180 E CA -0.260 56.282 56.400 0.237 0.000 1.136 180 E CB 0.381 30.154 29.700 0.121 0.000 1.129 180 E HN 0.590 nan 8.360 nan 0.000 0.530 181 D N 1.129 121.624 120.400 0.157 0.000 2.533 181 D HA -0.060 4.581 4.640 0.001 0.000 0.236 181 D C 1.009 177.489 176.300 0.299 0.000 1.137 181 D CA 0.135 54.226 54.000 0.152 0.000 0.867 181 D CB 1.530 42.359 40.800 0.049 0.000 1.170 181 D HN -0.173 nan 8.370 nan 0.000 0.474 182 V N 2.378 122.427 119.914 0.224 0.000 2.515 182 V HA -0.200 3.921 4.120 0.001 0.000 0.250 182 V C 2.146 178.359 176.094 0.198 0.000 1.058 182 V CA 1.496 63.932 62.300 0.226 0.000 1.064 182 V CB -0.394 31.487 31.823 0.098 0.000 0.675 182 V HN 0.538 nan 8.190 nan 0.000 0.461 183 E N 0.861 121.131 120.200 0.116 0.000 2.106 183 E HA -0.231 4.120 4.350 0.001 0.000 0.192 183 E C 2.179 178.802 176.600 0.038 0.000 0.984 183 E CA 1.561 57.998 56.400 0.062 0.000 0.806 183 E CB -0.215 29.502 29.700 0.027 0.000 0.750 183 E HN 0.687 nan 8.360 nan 0.000 0.458 184 E N -1.611 118.596 120.200 0.012 0.000 2.274 184 E HA -0.095 4.256 4.350 0.001 0.000 0.194 184 E C 1.318 177.823 176.600 -0.158 0.000 0.996 184 E CA 0.405 56.733 56.400 -0.120 0.000 0.840 184 E CB -0.102 29.467 29.700 -0.218 0.000 0.772 184 E HN 0.311 nan 8.360 nan 0.000 0.491 185 F N 0.330 120.302 119.950 0.036 0.000 2.335 185 F HA 0.091 4.619 4.527 0.001 0.000 0.296 185 F C 2.423 178.288 175.800 0.108 0.000 1.091 185 F CA 0.489 58.569 58.000 0.134 0.000 1.399 185 F CB 0.128 39.246 39.000 0.196 0.000 1.067 185 F HN -0.107 nan 8.300 nan 0.000 0.520 186 R N 0.649 121.269 120.500 0.201 0.000 2.070 186 R HA -0.156 4.185 4.340 0.001 0.000 0.233 186 R C 2.141 178.487 176.300 0.075 0.000 1.137 186 R CA 1.535 57.695 56.100 0.102 0.000 0.945 186 R CB -0.425 29.906 30.300 0.053 0.000 0.845 186 R HN 0.244 nan 8.270 nan 0.000 0.430 187 K N 0.724 121.144 120.400 0.034 0.000 2.020 187 K HA -0.183 4.138 4.320 0.001 0.000 0.212 187 K C 2.253 178.868 176.600 0.024 0.000 1.050 187 K CA 1.552 57.839 56.287 -0.001 0.000 0.929 187 K CB -0.397 32.069 32.500 -0.057 0.000 0.714 187 K HN 0.145 nan 8.250 nan 0.000 0.443 188 L N 0.918 122.160 121.223 0.032 0.000 2.013 188 L HA -0.230 4.111 4.340 0.001 0.000 0.212 188 L C 2.461 179.546 176.870 0.358 0.000 1.073 188 L CA 1.275 56.195 54.840 0.135 0.000 0.753 188 L CB -0.538 41.596 42.059 0.126 0.000 0.890 188 L HN 0.206 nan 8.230 nan 0.000 0.432 189 L N -0.857 120.553 121.223 0.311 0.000 2.265 189 L HA -0.212 4.129 4.340 0.001 0.000 0.215 189 L C 2.392 179.317 176.870 0.091 0.000 1.117 189 L CA 0.643 55.565 54.840 0.137 0.000 0.782 189 L CB -0.181 41.886 42.059 0.012 0.000 0.914 189 L HN 0.262 nan 8.230 nan 0.000 0.441 190 L N -0.111 121.162 121.223 0.084 0.000 2.168 190 L HA -0.026 4.315 4.340 0.001 0.000 0.203 190 L C 1.465 178.369 176.870 0.057 0.000 1.078 190 L CA 1.258 56.128 54.840 0.050 0.000 0.780 190 L CB 0.030 42.106 42.059 0.028 0.000 0.939 190 L HN 0.380 nan 8.230 nan 0.000 0.451 191 N N -1.961 116.777 118.700 0.064 0.000 2.305 191 N HA 0.123 4.864 4.740 0.001 0.000 0.248 191 N C -0.309 175.245 175.510 0.073 0.000 1.290 191 N CA -0.010 53.072 53.050 0.054 0.000 0.873 191 N CB 0.754 39.251 38.487 0.018 0.000 1.261 191 N HN 0.123 nan 8.380 nan 0.000 0.504 192 K N 0.704 121.190 120.400 0.144 0.000 2.932 192 K HA 0.261 4.582 4.320 0.001 0.000 0.194 192 K C 0.944 177.791 176.600 0.412 0.000 1.132 192 K CA -0.146 56.256 56.287 0.192 0.000 1.071 192 K CB 0.766 33.294 32.500 0.046 0.000 0.727 192 K HN 0.089 nan 8.250 nan 0.000 0.441 193 R N -0.130 120.584 120.500 0.357 0.000 2.211 193 R HA -0.117 4.224 4.340 0.001 0.000 0.240 193 R C 1.856 178.432 176.300 0.461 0.000 1.144 193 R CA 1.714 58.055 56.100 0.402 0.000 0.992 193 R CB -0.140 30.282 30.300 0.204 0.000 0.869 193 R HN 0.195 nan 8.270 nan 0.000 0.462 194 G N -0.151 108.861 108.800 0.353 0.000 2.572 194 G HA2 -0.226 3.735 3.960 0.001 0.000 0.216 194 G HA3 -0.226 3.735 3.960 0.001 0.000 0.216 194 G C 0.991 176.086 174.900 0.325 0.000 1.133 194 G CA -0.138 45.136 45.100 0.289 0.000 0.791 194 G HN 0.418 nan 8.290 nan 0.000 0.538 195 W N 1.555 122.953 121.300 0.164 0.000 2.355 195 W HA 0.002 4.662 4.660 0.002 0.000 0.309 195 W C 1.607 178.136 176.519 0.016 0.000 1.206 195 W CA 0.990 58.334 57.345 -0.000 0.000 1.284 195 W CB -0.390 28.947 29.460 -0.206 0.000 1.145 195 W HN 0.125 nan 8.180 nan 0.000 0.502 196 F N -0.010 120.034 119.950 0.157 0.000 2.664 196 F HA -0.067 4.460 4.527 0.001 0.000 0.297 196 F C 1.670 177.497 175.800 0.044 0.000 1.164 196 F CA 0.766 58.786 58.000 0.033 0.000 1.472 196 F CB -0.816 38.407 39.000 0.372 0.000 1.108 196 F HN -0.246 nan 8.300 nan 0.000 0.596 197 V N -0.395 119.625 119.914 0.176 0.000 3.556 197 V HA 0.114 4.235 4.120 0.001 0.000 0.287 197 V C 0.854 176.928 176.094 -0.034 0.000 1.422 197 V CA -0.309 62.045 62.300 0.091 0.000 1.038 197 V CB -0.269 31.645 31.823 0.152 0.000 0.850 197 V HN 0.029 nan 8.190 nan 0.000 0.437 198 L N 1.835 123.009 121.223 -0.083 0.000 2.640 198 L HA -0.042 4.299 4.340 0.001 0.000 0.280 198 L C 1.614 178.394 176.870 -0.150 0.000 1.229 198 L CA 0.651 55.434 54.840 -0.096 0.000 0.919 198 L CB -0.344 41.646 42.059 -0.114 0.000 1.168 198 L HN 0.382 nan 8.230 nan 0.000 0.496 199 N N 1.354 119.949 118.700 -0.175 0.000 2.137 199 N HA -0.147 4.594 4.740 0.001 0.000 0.190 199 N C 0.454 175.644 175.510 -0.533 0.000 1.017 199 N CA 0.989 53.824 53.050 -0.359 0.000 0.859 199 N CB 0.077 38.311 38.487 -0.421 0.000 1.002 199 N HN 0.560 nan 8.380 nan 0.000 0.428 200 H N -1.767 117.286 119.070 -0.028 0.000 3.024 200 H HA 0.465 5.022 4.556 0.001 0.000 0.305 200 H C 0.793 176.136 175.328 0.026 0.000 1.506 200 H CA 0.247 56.295 56.048 -0.000 0.000 1.324 200 H CB 1.007 30.778 29.762 0.015 0.000 1.925 200 H HN 0.240 nan 8.280 nan 0.000 0.661 201 G N -0.478 108.488 108.800 0.277 0.000 2.693 201 G HA2 -0.343 3.618 3.960 0.001 0.000 0.226 201 G HA3 -0.343 3.618 3.960 0.001 0.000 0.226 201 G C 0.514 175.597 174.900 0.304 0.000 1.354 201 G CA 0.644 45.932 45.100 0.313 0.000 0.873 201 G HN 0.673 nan 8.290 nan 0.000 0.562 202 Y N 1.917 122.300 120.300 0.137 0.000 2.102 202 Y HA -0.103 4.448 4.550 0.001 0.000 0.280 202 Y C 0.645 176.338 175.900 -0.345 0.000 1.178 202 Y CA 3.334 61.249 58.100 -0.309 0.000 1.146 202 Y CB -1.048 37.308 38.460 -0.174 0.000 0.968 202 Y HN 0.410 nan 8.280 nan 0.000 0.504 203 P HA -0.241 nan 4.420 nan 0.000 0.217 203 P C 1.280 178.386 177.300 -0.324 0.000 1.148 203 P CA 2.217 64.985 63.100 -0.553 0.000 0.834 203 P CB -0.179 31.075 31.700 -0.744 0.000 0.783 204 R N -0.405 119.946 120.500 -0.248 0.000 2.062 204 R HA -0.043 4.298 4.340 0.001 0.000 0.229 204 R C 2.112 178.273 176.300 -0.232 0.000 1.128 204 R CA 1.440 57.417 56.100 -0.206 0.000 0.960 204 R CB -0.779 29.469 30.300 -0.086 0.000 0.855 204 R HN 0.061 nan 8.270 nan 0.000 0.432 205 A N 0.837 123.484 122.820 -0.288 0.000 1.908 205 A HA -0.219 4.102 4.320 0.001 0.000 0.218 205 A C 1.969 179.370 177.584 -0.304 0.000 1.181 205 A CA 1.441 53.293 52.037 -0.307 0.000 0.627 205 A CB -0.876 17.806 19.000 -0.529 0.000 0.818 205 A HN 0.550 nan 8.150 nan 0.000 0.445 206 F N 0.839 120.453 119.950 -0.560 0.000 2.095 206 F HA -0.191 4.337 4.527 0.001 0.000 0.298 206 F C 2.313 178.015 175.800 -0.163 0.000 1.104 206 F CA 1.971 59.749 58.000 -0.370 0.000 1.232 206 F CB -0.404 38.355 39.000 -0.401 0.000 0.987 206 F HN 0.136 nan 8.300 nan 0.000 0.475 207 R N -0.336 119.774 120.500 -0.650 0.000 2.075 207 R HA -0.146 4.195 4.340 0.001 0.000 0.232 207 R C 2.159 178.224 176.300 -0.392 0.000 1.126 207 R CA 1.432 57.093 56.100 -0.731 0.000 0.963 207 R CB -0.870 29.003 30.300 -0.711 0.000 0.858 207 R HN 0.295 nan 8.270 nan 0.000 0.435 208 L N 1.127 122.188 121.223 -0.270 0.000 1.989 208 L HA -0.210 4.131 4.340 0.001 0.000 0.211 208 L C 2.328 179.203 176.870 0.008 0.000 1.071 208 L CA 1.823 56.593 54.840 -0.116 0.000 0.749 208 L CB -0.444 41.567 42.059 -0.080 0.000 0.890 208 L HN 0.045 nan 8.230 nan 0.000 0.431 209 R N -1.554 118.950 120.500 0.007 0.000 2.092 209 R HA -0.154 4.187 4.340 0.001 0.000 0.231 209 R C 2.184 178.614 176.300 0.218 0.000 1.119 209 R CA 1.225 57.422 56.100 0.161 0.000 0.970 209 R CB -1.316 29.070 30.300 0.142 0.000 0.864 209 R HN 0.367 nan 8.270 nan 0.000 0.440 210 F N 1.195 121.068 119.950 -0.128 0.000 2.186 210 F HA -0.041 4.486 4.527 0.001 0.000 0.299 210 F C 2.157 178.098 175.800 0.235 0.000 1.090 210 F CA 1.445 59.420 58.000 -0.042 0.000 1.307 210 F CB -0.554 38.207 39.000 -0.399 0.000 1.019 210 F HN 0.075 nan 8.300 nan 0.000 0.489 211 G N -0.852 108.030 108.800 0.137 0.000 2.433 211 G HA2 -0.375 3.586 3.960 0.001 0.000 0.216 211 G HA3 -0.375 3.586 3.960 0.001 0.000 0.216 211 G C 1.625 176.694 174.900 0.282 0.000 1.186 211 G CA 0.947 46.178 45.100 0.218 0.000 0.779 211 G HN 0.521 nan 8.290 nan 0.000 0.543 212 Y N 0.600 121.000 120.300 0.166 0.000 2.193 212 Y HA -0.193 4.358 4.550 0.001 0.000 0.285 212 Y C 2.254 178.188 175.900 0.057 0.000 1.166 212 Y CA 2.058 60.217 58.100 0.098 0.000 1.181 212 Y CB -0.331 38.190 38.460 0.102 0.000 0.976 212 Y HN 0.210 nan 8.280 nan 0.000 0.520 213 F N -0.180 119.814 119.950 0.073 0.000 2.060 213 F HA -0.173 4.354 4.527 0.001 0.000 0.295 213 F C 2.140 177.786 175.800 -0.256 0.000 1.120 213 F CA 1.647 59.603 58.000 -0.073 0.000 1.205 213 F CB -0.852 38.144 39.000 -0.008 0.000 0.986 213 F HN 0.063 nan 8.300 nan 0.000 0.470 214 I N 0.993 121.423 120.570 -0.233 0.000 2.315 214 I HA -0.285 3.886 4.170 0.001 0.000 0.251 214 I C 1.829 177.786 176.117 -0.266 0.000 1.125 214 I CA 1.568 62.692 61.300 -0.293 0.000 1.392 214 I CB -0.607 37.313 38.000 -0.133 0.000 1.065 214 I HN 0.276 nan 8.210 nan 0.000 0.424 215 L N -0.898 120.173 121.223 -0.253 0.000 2.554 215 L HA 0.000 4.341 4.340 0.001 0.000 0.226 215 L C 2.152 178.815 176.870 -0.345 0.000 1.137 215 L CA 0.498 55.170 54.840 -0.280 0.000 0.863 215 L CB -0.378 41.484 42.059 -0.328 0.000 0.985 215 L HN 0.190 nan 8.230 nan 0.000 0.451 216 R N -0.999 119.232 120.500 -0.448 0.000 2.310 216 R HA 0.181 4.522 4.340 0.001 0.000 0.199 216 R C 0.370 176.405 176.300 -0.441 0.000 0.891 216 R CA -0.509 55.327 56.100 -0.439 0.000 1.060 216 R CB 0.553 30.538 30.300 -0.524 0.000 1.188 216 R HN 0.000 nan 8.270 nan 0.000 0.607 217 I N 2.580 122.768 120.570 -0.638 0.000 2.826 217 I HA -0.109 4.062 4.170 0.001 0.000 0.295 217 I C -0.157 175.807 176.117 -0.254 0.000 1.213 217 I CA 0.605 61.527 61.300 -0.630 0.000 1.436 217 I CB 0.360 37.706 38.000 -1.090 0.000 1.348 217 I HN -0.110 nan 8.210 nan 0.000 0.570 218 K N 6.418 126.822 120.400 0.006 0.000 2.139 218 K HA 0.209 4.530 4.320 0.001 0.000 0.243 218 K C 0.644 177.289 176.600 0.074 0.000 0.983 218 K CA -0.784 55.535 56.287 0.054 0.000 0.890 218 K CB 1.032 33.576 32.500 0.073 0.000 1.090 218 K HN 0.488 nan 8.250 nan 0.000 0.445 219 L N 3.362 124.597 121.223 0.020 0.000 1.978 219 L HA -0.186 4.155 4.340 0.001 0.000 0.218 219 L C -1.028 175.862 176.870 0.033 0.000 1.075 219 L CA 2.268 57.123 54.840 0.024 0.000 0.767 219 L CB -1.375 40.686 42.059 0.003 0.000 0.890 219 L HN 0.540 nan 8.230 nan 0.000 0.434 220 P HA -0.199 nan 4.420 nan 0.000 0.216 220 P C 1.241 178.540 177.300 -0.001 0.000 1.154 220 P CA 1.936 65.007 63.100 -0.049 0.000 0.865 220 P CB -0.184 31.433 31.700 -0.140 0.000 0.789 221 H N -1.392 117.725 119.070 0.078 0.000 2.319 221 H HA -0.092 4.465 4.556 0.001 0.000 0.299 221 H C 1.967 177.391 175.328 0.160 0.000 1.092 221 H CA 1.108 57.247 56.048 0.152 0.000 1.302 221 H CB -0.757 29.114 29.762 0.182 0.000 1.373 221 H HN 0.051 nan 8.280 nan 0.000 0.497 222 L N -0.058 121.317 121.223 0.254 0.000 2.017 222 L HA -0.165 4.176 4.340 0.001 0.000 0.208 222 L C 2.276 179.222 176.870 0.126 0.000 1.073 222 L CA 1.128 56.082 54.840 0.190 0.000 0.745 222 L CB -0.370 41.772 42.059 0.138 0.000 0.894 222 L HN 0.310 nan 8.230 nan 0.000 0.432 223 I N 0.010 120.634 120.570 0.089 0.000 2.361 223 I HA -0.290 3.881 4.170 0.001 0.000 0.251 223 I C 1.869 178.023 176.117 0.061 0.000 1.133 223 I CA 1.493 62.828 61.300 0.058 0.000 1.413 223 I CB -0.382 37.639 38.000 0.035 0.000 1.073 223 I HN 0.353 nan 8.210 nan 0.000 0.424 224 N N 0.454 119.202 118.700 0.080 0.000 2.331 224 N HA -0.038 4.703 4.740 0.001 0.000 0.180 224 N C 1.718 177.281 175.510 0.088 0.000 1.019 224 N CA 0.819 53.915 53.050 0.078 0.000 0.881 224 N CB -0.007 38.533 38.487 0.088 0.000 0.972 224 N HN 0.281 nan 8.380 nan 0.000 0.435 225 A N -0.128 122.761 122.820 0.114 0.000 2.206 225 A HA 0.318 4.639 4.320 0.001 0.000 0.211 225 A C 1.559 179.181 177.584 0.064 0.000 1.158 225 A CA 0.947 53.046 52.037 0.104 0.000 0.761 225 A CB -0.222 18.869 19.000 0.153 0.000 0.801 225 A HN 0.335 nan 8.150 nan 0.000 0.473 226 G N -1.344 107.488 108.800 0.053 0.000 2.184 226 G HA2 -0.161 3.800 3.960 0.001 0.000 0.206 226 G HA3 -0.161 3.800 3.960 0.001 0.000 0.206 226 G C 0.048 174.961 174.900 0.020 0.000 0.995 226 G CA -0.037 45.082 45.100 0.031 0.000 0.651 226 G HN 0.396 nan 8.290 nan 0.000 0.511 227 I N 1.483 122.071 120.570 0.030 0.000 2.395 227 I HA 0.342 4.513 4.170 0.001 0.000 0.289 227 I C 1.197 177.325 176.117 0.018 0.000 1.023 227 I CA -0.733 60.577 61.300 0.017 0.000 1.350 227 I CB 0.997 39.014 38.000 0.028 0.000 1.409 227 I HN 0.022 nan 8.210 nan 0.000 0.507 228 R N 5.002 125.507 120.500 0.007 0.000 2.537 228 R HA 0.004 4.345 4.340 0.001 0.000 0.280 228 R C 1.402 177.709 176.300 0.012 0.000 1.058 228 R CA 0.058 56.163 56.100 0.008 0.000 1.057 228 R CB 0.661 30.962 30.300 0.001 0.000 0.973 228 R HN 0.613 nan 8.270 nan 0.000 0.438 229 K N 1.842 122.250 120.400 0.012 0.000 2.030 229 K HA -0.317 4.003 4.320 0.001 0.000 0.222 229 K C 1.747 178.355 176.600 0.012 0.000 1.056 229 K CA 2.733 59.028 56.287 0.013 0.000 0.957 229 K CB -0.223 32.283 32.500 0.009 0.000 0.727 229 K HN 0.755 nan 8.250 nan 0.000 0.452 230 S N 0.779 116.485 115.700 0.009 0.000 2.368 230 S HA -0.241 4.230 4.470 0.001 0.000 0.226 230 S C 2.098 176.705 174.600 0.012 0.000 1.044 230 S CA 1.869 60.074 58.200 0.009 0.000 1.062 230 S CB -0.925 62.279 63.200 0.006 0.000 0.931 230 S HN 0.425 nan 8.310 nan 0.000 0.440 231 I N 2.777 123.353 120.570 0.009 0.000 2.090 231 I HA -0.188 3.982 4.170 0.001 0.000 0.236 231 I C 3.175 179.306 176.117 0.023 0.000 1.064 231 I CA 1.332 62.638 61.300 0.010 0.000 1.324 231 I CB -0.969 37.028 38.000 -0.005 0.000 1.044 231 I HN 0.443 nan 8.210 nan 0.000 0.399 232 A N 0.441 123.276 122.820 0.026 0.000 1.986 232 A HA -0.249 4.072 4.320 0.001 0.000 0.220 232 A C 2.319 179.926 177.584 0.037 0.000 1.171 232 A CA 1.662 53.723 52.037 0.041 0.000 0.640 232 A CB -0.472 18.555 19.000 0.045 0.000 0.811 232 A HN 0.257 nan 8.150 nan 0.000 0.451 233 K N 0.324 120.739 120.400 0.026 0.000 2.032 233 K HA -0.134 4.187 4.320 0.001 0.000 0.209 233 K C 2.485 179.101 176.600 0.026 0.000 1.048 233 K CA 1.822 58.121 56.287 0.020 0.000 0.927 233 K CB -0.553 31.955 32.500 0.014 0.000 0.712 233 K HN 0.709 nan 8.250 nan 0.000 0.441 234 S N 0.602 116.321 115.700 0.032 0.000 2.387 234 S HA -0.032 4.439 4.470 0.001 0.000 0.226 234 S C 2.235 176.873 174.600 0.064 0.000 1.026 234 S CA 0.602 58.827 58.200 0.041 0.000 0.972 234 S CB -0.511 62.712 63.200 0.039 0.000 0.814 234 S HN 0.191 nan 8.310 nan 0.000 0.477 235 I N 1.752 122.368 120.570 0.078 0.000 2.127 235 I HA -0.198 3.973 4.170 0.001 0.000 0.241 235 I C 2.480 178.659 176.117 0.104 0.000 1.075 235 I CA 1.481 62.856 61.300 0.125 0.000 1.334 235 I CB -0.494 37.584 38.000 0.130 0.000 1.040 235 I HN 0.279 nan 8.210 nan 0.000 0.405 236 L N 0.295 121.553 121.223 0.058 0.000 2.083 236 L HA -0.217 4.124 4.340 0.001 0.000 0.209 236 L C 2.592 179.474 176.870 0.021 0.000 1.083 236 L CA 1.068 55.922 54.840 0.023 0.000 0.752 236 L CB -0.573 41.485 42.059 -0.002 0.000 0.899 236 L HN 0.171 nan 8.230 nan 0.000 0.433 237 K N 0.979 121.395 120.400 0.027 0.000 2.113 237 K HA -0.170 4.151 4.320 0.001 0.000 0.208 237 K C 1.425 178.041 176.600 0.028 0.000 1.047 237 K CA 1.763 58.063 56.287 0.021 0.000 0.928 237 K CB -0.238 32.276 32.500 0.023 0.000 0.716 237 K HN 0.352 nan 8.250 nan 0.000 0.446 238 S N -0.230 115.501 115.700 0.051 0.000 2.449 238 S HA 0.194 4.665 4.470 0.001 0.000 0.237 238 S C 0.678 175.327 174.600 0.082 0.000 1.214 238 S CA -0.600 57.636 58.200 0.059 0.000 1.226 238 S CB 0.211 63.452 63.200 0.068 0.000 0.904 238 S HN 0.390 nan 8.310 nan 0.000 0.490 239 K N 1.058 121.494 120.400 0.060 0.000 2.062 239 K HA 0.037 4.358 4.320 0.001 0.000 0.205 239 K C 1.285 177.935 176.600 0.083 0.000 1.051 239 K CA 0.897 57.225 56.287 0.069 0.000 0.941 239 K CB -0.261 32.238 32.500 -0.002 0.000 0.719 239 K HN 0.198 nan 8.250 nan 0.000 0.440 240 E N 1.578 121.801 120.200 0.038 0.000 2.077 240 E HA -0.225 4.126 4.350 0.001 0.000 0.193 240 E C 2.049 178.714 176.600 0.109 0.000 0.989 240 E CA 1.436 57.861 56.400 0.041 0.000 0.800 240 E CB -0.129 29.570 29.700 -0.002 0.000 0.746 240 E HN 0.598 nan 8.360 nan 0.000 0.452 241 E N 0.817 121.066 120.200 0.080 0.000 2.031 241 E HA -0.143 4.208 4.350 0.001 0.000 0.193 241 E C 2.279 178.929 176.600 0.084 0.000 0.994 241 E CA 0.792 57.235 56.400 0.071 0.000 0.800 241 E CB -0.145 29.581 29.700 0.043 0.000 0.752 241 E HN 0.160 nan 8.360 nan 0.000 0.447 242 I N 0.495 121.120 120.570 0.092 0.000 2.315 242 I HA -0.300 3.871 4.170 0.001 0.000 0.251 242 I C 2.280 178.512 176.117 0.191 0.000 1.125 242 I CA 1.282 62.627 61.300 0.074 0.000 1.392 242 I CB -0.356 37.753 38.000 0.182 0.000 1.065 242 I HN 0.305 nan 8.210 nan 0.000 0.424 243 Y N 1.801 122.159 120.300 0.095 0.000 2.130 243 Y HA -0.302 4.249 4.550 0.001 0.000 0.287 243 Y C 2.620 178.546 175.900 0.044 0.000 1.124 243 Y CA 2.123 60.273 58.100 0.083 0.000 1.118 243 Y CB -0.191 38.286 38.460 0.028 0.000 0.994 243 Y HN 0.073 nan 8.280 nan 0.000 0.497 244 E N 0.425 120.754 120.200 0.214 0.000 2.110 244 E HA -0.190 4.161 4.350 0.001 0.000 0.193 244 E C 1.755 178.359 176.600 0.007 0.000 0.988 244 E CA 1.911 58.371 56.400 0.100 0.000 0.804 244 E CB -0.208 29.567 29.700 0.126 0.000 0.745 244 E HN 0.498 nan 8.360 nan 0.000 0.458 245 E N -1.324 118.889 120.200 0.021 0.000 2.250 245 E HA -0.013 4.338 4.350 0.001 0.000 0.192 245 E C 1.415 178.040 176.600 0.041 0.000 0.986 245 E CA 0.350 56.756 56.400 0.010 0.000 0.849 245 E CB -0.073 29.626 29.700 -0.002 0.000 0.797 245 E HN 0.336 nan 8.360 nan 0.000 0.482 246 F N 0.317 120.170 119.950 -0.163 0.000 2.514 246 F HA 0.027 4.555 4.527 0.001 0.000 0.281 246 F C 1.876 177.581 175.800 -0.159 0.000 1.060 246 F CA 0.395 58.292 58.000 -0.172 0.000 1.397 246 F CB -0.160 38.689 39.000 -0.251 0.000 1.129 246 F HN -0.247 nan 8.300 nan 0.000 0.620 247 V N 1.381 121.043 119.914 -0.420 0.000 2.407 247 V HA -0.083 4.037 4.120 0.001 0.000 0.245 247 V C 2.518 178.321 176.094 -0.484 0.000 1.041 247 V CA 1.369 63.294 62.300 -0.625 0.000 1.040 247 V CB -0.711 30.640 31.823 -0.786 0.000 0.671 247 V HN 0.147 nan 8.190 nan 0.000 0.455 248 R N 1.251 121.525 120.500 -0.377 0.000 2.056 248 R HA 0.040 4.381 4.340 0.001 0.000 0.220 248 R C 2.149 178.354 176.300 -0.159 0.000 1.187 248 R CA 1.101 57.064 56.100 -0.229 0.000 0.932 248 R CB -0.639 29.581 30.300 -0.133 0.000 0.821 248 R HN 0.400 nan 8.270 nan 0.000 0.449 249 K N 0.834 121.172 120.400 -0.103 0.000 2.555 249 K HA 0.106 4.427 4.320 0.001 0.000 0.193 249 K C 0.416 176.976 176.600 -0.067 0.000 1.032 249 K CA 0.589 56.837 56.287 -0.065 0.000 1.004 249 K CB 0.091 32.575 32.500 -0.027 0.000 0.804 249 K HN 0.381 nan 8.250 nan 0.000 0.496 250 A N 1.445 124.192 122.820 -0.122 0.000 2.610 250 A HA -0.189 4.132 4.320 0.001 0.000 0.299 250 A C -0.119 177.503 177.584 0.062 0.000 1.487 250 A CA 0.585 52.554 52.037 -0.113 0.000 0.743 250 A CB -2.237 16.689 19.000 -0.125 0.000 1.070 250 A HN 0.368 nan 8.150 nan 0.000 0.439 251 I N -0.170 120.494 120.570 0.157 0.000 2.410 251 I HA 0.258 4.428 4.170 0.001 0.000 0.286 251 I C 1.249 177.508 176.117 0.238 0.000 1.009 251 I CA -0.945 60.457 61.300 0.171 0.000 1.111 251 I CB 1.435 39.478 38.000 0.072 0.000 1.262 251 I HN 0.330 nan 8.210 nan 0.000 0.443 252 L N 6.243 127.586 121.223 0.201 0.000 2.012 252 L HA -0.076 4.265 4.340 0.001 0.000 0.210 252 L C 2.257 179.098 176.870 -0.048 0.000 1.073 252 L CA 1.919 56.782 54.840 0.039 0.000 0.748 252 L CB -0.328 41.796 42.059 0.109 0.000 0.891 252 L HN 0.752 nan 8.230 nan 0.000 0.431 253 A N -1.034 121.792 122.820 0.011 0.000 2.081 253 A HA 0.256 4.577 4.320 0.001 0.000 0.213 253 A C 1.884 179.436 177.584 -0.053 0.000 1.374 253 A CA 0.856 52.897 52.037 0.007 0.000 1.203 253 A CB -1.160 17.855 19.000 0.025 0.000 0.786 253 A HN 0.481 nan 8.150 nan 0.000 0.535 254 A N -0.807 121.885 122.820 -0.213 0.000 2.195 254 A HA 0.461 4.782 4.320 0.001 0.000 0.210 254 A C 0.367 177.762 177.584 -0.314 0.000 1.165 254 A CA -0.140 51.731 52.037 -0.277 0.000 0.806 254 A CB -0.105 18.697 19.000 -0.330 0.000 0.847 254 A HN 0.441 nan 8.150 nan 0.000 0.482 255 F N 0.946 120.880 119.950 -0.026 0.000 2.412 255 F HA 0.419 4.947 4.527 0.002 0.000 0.348 255 F C -1.846 173.947 175.800 -0.012 0.000 1.102 255 F CA -2.322 55.666 58.000 -0.020 0.000 1.196 255 F CB 0.094 39.046 39.000 -0.081 0.000 1.144 255 F HN -0.026 nan 8.300 nan 0.000 0.541 256 P HA -0.038 nan 4.420 nan 0.000 0.267 256 P C -1.012 176.336 177.300 0.080 0.000 1.195 256 P CA -0.056 63.105 63.100 0.101 0.000 0.773 256 P CB 0.415 32.169 31.700 0.090 0.000 0.837 257 Q N 0.636 120.465 119.800 0.049 0.000 2.332 257 Q HA 0.383 4.724 4.340 0.001 0.000 0.263 257 Q C 1.240 177.252 176.000 0.021 0.000 0.979 257 Q CA 0.903 56.725 55.803 0.032 0.000 0.885 257 Q CB 0.254 29.006 28.738 0.023 0.000 1.218 257 Q HN 0.801 nan 8.270 nan 0.000 0.405 258 G N 0.557 109.361 108.800 0.007 0.000 2.238 258 G HA2 -0.262 3.699 3.960 0.001 0.000 0.217 258 G HA3 -0.262 3.699 3.960 0.001 0.000 0.217 258 G C 0.657 175.545 174.900 -0.019 0.000 0.996 258 G CA 0.122 45.219 45.100 -0.004 0.000 0.632 258 G HN 0.461 nan 8.290 nan 0.000 0.503 259 V N 1.206 121.107 119.914 -0.022 0.000 2.222 259 V HA 0.415 4.535 4.120 0.001 0.000 0.240 259 V C 2.187 178.219 176.094 -0.103 0.000 1.040 259 V CA 2.838 65.096 62.300 -0.070 0.000 0.988 259 V CB -1.205 30.565 31.823 -0.089 0.000 0.633 259 V HN 2.314 nan 8.190 nan 0.000 0.452 260 G N -1.270 107.461 108.800 -0.114 0.000 2.746 260 G HA2 -0.212 3.749 3.960 0.001 0.000 0.685 260 G HA3 -0.212 3.749 3.960 0.001 0.000 0.685 260 G C 0.267 175.063 174.900 -0.174 0.000 1.350 260 G CA -0.013 45.018 45.100 -0.114 0.000 0.837 260 G HN 0.529 nan 8.290 nan 0.000 0.564 261 I N 0.016 120.504 120.570 -0.137 0.000 2.335 261 I HA -0.138 4.033 4.170 0.001 0.000 0.251 261 I C 2.438 178.466 176.117 -0.150 0.000 1.129 261 I CA 2.271 63.483 61.300 -0.148 0.000 1.402 261 I CB -0.065 37.886 38.000 -0.081 0.000 1.069 261 I HN 0.646 nan 8.210 nan 0.000 0.424 262 E N 0.622 120.752 120.200 -0.116 0.000 2.028 262 E HA -0.148 4.203 4.350 0.001 0.000 0.191 262 E C 2.360 178.878 176.600 -0.138 0.000 0.988 262 E CA 1.506 57.848 56.400 -0.097 0.000 0.799 262 E CB -0.446 29.216 29.700 -0.064 0.000 0.755 262 E HN 0.450 nan 8.360 nan 0.000 0.447 263 S N 1.391 116.995 115.700 -0.160 0.000 2.353 263 S HA -0.113 4.358 4.470 0.001 0.000 0.222 263 S C 2.200 176.605 174.600 -0.325 0.000 1.035 263 S CA 0.907 58.995 58.200 -0.187 0.000 1.025 263 S CB -0.429 62.671 63.200 -0.167 0.000 0.902 263 S HN 0.180 nan 8.310 nan 0.000 0.440 264 L N 1.100 122.026 121.223 -0.496 0.000 2.081 264 L HA -0.214 4.127 4.340 0.001 0.000 0.212 264 L C 2.762 179.114 176.870 -0.863 0.000 1.080 264 L CA 1.282 55.580 54.840 -0.904 0.000 0.754 264 L CB -0.713 40.723 42.059 -1.038 0.000 0.893 264 L HN 0.361 nan 8.230 nan 0.000 0.433 265 A N -0.163 122.394 122.820 -0.438 0.000 1.930 265 A HA -0.194 4.127 4.320 0.001 0.000 0.217 265 A C 2.309 179.767 177.584 -0.208 0.000 1.175 265 A CA 1.491 53.400 52.037 -0.213 0.000 0.627 265 A CB -0.240 18.742 19.000 -0.030 0.000 0.815 265 A HN 0.340 nan 8.150 nan 0.000 0.443 266 K N -0.998 119.292 120.400 -0.184 0.000 2.062 266 K HA -0.009 4.312 4.320 0.001 0.000 0.205 266 K C 1.888 178.430 176.600 -0.097 0.000 1.051 266 K CA 1.092 57.319 56.287 -0.099 0.000 0.941 266 K CB -0.313 32.155 32.500 -0.053 0.000 0.719 266 K HN 0.357 nan 8.250 nan 0.000 0.440 267 L N 0.644 121.770 121.223 -0.163 0.000 2.046 267 L HA -0.140 4.201 4.340 0.001 0.000 0.208 267 L C 1.928 178.827 176.870 0.049 0.000 1.077 267 L CA 1.710 56.542 54.840 -0.014 0.000 0.747 267 L CB -0.391 41.631 42.059 -0.061 0.000 0.896 267 L HN 0.014 nan 8.230 nan 0.000 0.432 268 F N -0.133 119.665 119.950 -0.253 0.000 2.146 268 F HA -0.048 4.480 4.527 0.001 0.000 0.298 268 F C 2.590 178.029 175.800 -0.602 0.000 1.096 268 F CA 0.712 58.457 58.000 -0.425 0.000 1.275 268 F CB -1.741 36.728 39.000 -0.885 0.000 1.008 268 F HN 0.187 nan 8.300 nan 0.000 0.480 269 A N -0.058 122.481 122.820 -0.467 0.000 1.933 269 A HA -0.150 4.171 4.320 0.001 0.000 0.218 269 A C 2.196 179.755 177.584 -0.042 0.000 1.175 269 A CA 1.426 53.363 52.037 -0.167 0.000 0.628 269 A CB -1.092 17.906 19.000 -0.003 0.000 0.814 269 A HN 0.324 nan 8.150 nan 0.000 0.444 270 L N -0.215 120.988 121.223 -0.033 0.000 2.046 270 L HA -0.088 4.253 4.340 0.001 0.000 0.208 270 L C 2.588 179.446 176.870 -0.020 0.000 1.077 270 L CA 2.521 57.380 54.840 0.032 0.000 0.747 270 L CB -0.760 41.428 42.059 0.216 0.000 0.896 270 L HN 0.345 nan 8.230 nan 0.000 0.432 271 S N -1.654 113.845 115.700 -0.334 0.000 2.382 271 S HA -0.199 4.272 4.470 0.001 0.000 0.228 271 S C 1.874 176.458 174.600 -0.026 0.000 1.027 271 S CA 1.849 59.674 58.200 -0.625 0.000 0.991 271 S CB -0.450 62.334 63.200 -0.694 0.000 0.823 271 S HN 0.666 nan 8.310 nan 0.000 0.469 272 T N 2.018 116.603 114.554 0.051 0.000 2.867 272 T HA 0.009 4.359 4.350 0.001 0.000 0.268 272 T C 1.901 176.617 174.700 0.027 0.000 1.057 272 T CA 0.934 63.106 62.100 0.121 0.000 1.136 272 T CB -0.190 68.821 68.868 0.239 0.000 0.874 272 T HN 0.427 nan 8.240 nan 0.000 0.466 273 R N 0.049 120.514 120.500 -0.058 0.000 2.081 273 R HA -0.027 4.314 4.340 0.001 0.000 0.235 273 R C 2.174 178.349 176.300 -0.208 0.000 1.131 273 R CA 1.435 57.431 56.100 -0.174 0.000 0.960 273 R CB -0.490 29.605 30.300 -0.342 0.000 0.856 273 R HN 0.414 nan 8.270 nan 0.000 0.436 274 F N 0.735 120.694 119.950 0.016 0.000 2.084 274 F HA -0.202 4.326 4.527 0.002 0.000 0.296 274 F C 2.921 178.390 175.800 -0.552 0.000 1.111 274 F CA 1.401 59.394 58.000 -0.011 0.000 1.224 274 F CB -0.591 38.561 39.000 0.253 0.000 0.991 274 F HN 0.070 nan 8.300 nan 0.000 0.471 275 S N 0.127 115.482 115.700 -0.574 0.000 2.440 275 S HA -0.260 4.211 4.470 0.001 0.000 0.238 275 S C 1.891 176.208 174.600 -0.471 0.000 1.010 275 S CA 1.352 58.831 58.200 -1.202 0.000 0.972 275 S CB -0.651 62.361 63.200 -0.314 0.000 0.774 275 S HN 0.429 nan 8.310 nan 0.000 0.501 276 K N 1.520 121.825 120.400 -0.158 0.000 2.155 276 K HA -0.023 4.298 4.320 0.001 0.000 0.203 276 K C 1.785 178.468 176.600 0.137 0.000 1.052 276 K CA 1.348 57.663 56.287 0.046 0.000 0.948 276 K CB -0.239 32.287 32.500 0.044 0.000 0.728 276 K HN 0.596 nan 8.250 nan 0.000 0.448 277 S N -0.736 115.012 115.700 0.080 0.000 2.634 277 S HA 0.040 4.511 4.470 0.001 0.000 0.221 277 S C 1.232 176.018 174.600 0.310 0.000 0.952 277 S CA -0.473 57.844 58.200 0.196 0.000 0.930 277 S CB -0.403 62.907 63.200 0.183 0.000 0.780 277 S HN 0.345 nan 8.310 nan 0.000 0.498 278 Y N 0.766 121.141 120.300 0.126 0.000 2.439 278 Y HA 0.172 4.723 4.550 0.002 0.000 0.292 278 Y C 0.166 175.834 175.900 -0.386 0.000 1.130 278 Y CA -0.213 57.756 58.100 -0.219 0.000 1.254 278 Y CB 0.086 38.245 38.460 -0.501 0.000 1.000 278 Y HN 0.306 nan 8.280 nan 0.000 0.554 279 F N -0.632 119.475 119.950 0.261 0.000 2.579 279 F HA 0.256 4.784 4.527 0.001 0.000 0.324 279 F C -0.162 175.736 175.800 0.163 0.000 1.058 279 F CA -1.961 56.168 58.000 0.215 0.000 0.944 279 F CB 0.621 39.766 39.000 0.242 0.000 1.245 279 F HN -0.309 nan 8.300 nan 0.000 0.477 280 D N 0.904 121.504 120.400 0.332 0.000 2.479 280 D HA 0.192 4.833 4.640 0.001 0.000 0.218 280 D C 1.300 177.700 176.300 0.167 0.000 1.131 280 D CA -0.003 54.120 54.000 0.205 0.000 0.916 280 D CB 1.196 42.089 40.800 0.155 0.000 1.022 280 D HN 0.729 nan 8.370 nan 0.000 0.515 281 G N 3.627 112.516 108.800 0.150 0.000 2.475 281 G HA2 -0.315 3.646 3.960 0.001 0.000 0.220 281 G HA3 -0.315 3.646 3.960 0.001 0.000 0.220 281 G C 1.595 176.508 174.900 0.022 0.000 1.125 281 G CA 0.452 45.599 45.100 0.078 0.000 0.755 281 G HN 0.482 nan 8.290 nan 0.000 0.565 282 R N -0.226 120.292 120.500 0.030 0.000 2.117 282 R HA -0.086 4.255 4.340 0.001 0.000 0.243 282 R C 2.605 178.888 176.300 -0.029 0.000 1.143 282 R CA 1.399 57.499 56.100 -0.000 0.000 0.968 282 R CB -0.561 29.745 30.300 0.010 0.000 0.863 282 R HN 0.372 nan 8.270 nan 0.000 0.444 283 V N 0.279 120.181 119.914 -0.021 0.000 2.307 283 V HA -0.207 3.913 4.120 0.001 0.000 0.245 283 V C 2.138 178.162 176.094 -0.117 0.000 1.045 283 V CA 2.197 64.461 62.300 -0.060 0.000 1.024 283 V CB -0.717 31.083 31.823 -0.038 0.000 0.651 283 V HN 0.352 nan 8.190 nan 0.000 0.449 284 T N 1.104 115.571 114.554 -0.145 0.000 2.788 284 T HA -0.139 4.212 4.350 0.001 0.000 0.268 284 T C 1.764 176.338 174.700 -0.210 0.000 1.044 284 T CA 1.879 63.817 62.100 -0.271 0.000 1.139 284 T CB -0.247 68.421 68.868 -0.333 0.000 0.867 284 T HN 0.554 nan 8.240 nan 0.000 0.454 285 V N -0.365 119.469 119.914 -0.135 0.000 3.649 285 V HA 0.253 4.374 4.120 0.001 0.000 0.275 285 V C 0.326 176.354 176.094 -0.110 0.000 1.281 285 V CA -0.059 62.174 62.300 -0.112 0.000 1.143 285 V CB -0.296 31.481 31.823 -0.077 0.000 0.892 285 V HN 0.168 nan 8.190 nan 0.000 0.441 286 D N 0.495 120.830 120.400 -0.107 0.000 2.347 286 D HA 0.296 4.936 4.640 0.001 0.000 0.235 286 D C 0.682 176.915 176.300 -0.111 0.000 1.149 286 D CA -0.361 53.578 54.000 -0.101 0.000 0.850 286 D CB 1.430 42.181 40.800 -0.081 0.000 1.061 286 D HN 0.128 nan 8.370 nan 0.000 0.487 287 L N 3.255 124.392 121.223 -0.143 0.000 2.478 287 L HA 0.095 4.436 4.340 0.001 0.000 0.223 287 L C 1.604 178.417 176.870 -0.094 0.000 1.140 287 L CA 1.016 55.758 54.840 -0.163 0.000 0.842 287 L CB -0.116 41.717 42.059 -0.376 0.000 0.953 287 L HN 0.401 nan 8.230 nan 0.000 0.452 288 K N -0.612 119.757 120.400 -0.053 0.000 2.514 288 K HA 0.162 4.483 4.320 0.001 0.000 0.207 288 K C 0.297 176.914 176.600 0.028 0.000 1.035 288 K CA -0.435 55.886 56.287 0.057 0.000 1.113 288 K CB 0.526 33.077 32.500 0.086 0.000 0.846 288 K HN -0.054 nan 8.250 nan 0.000 0.491 289 R N 2.490 122.973 120.500 -0.028 0.000 2.643 289 R HA 0.177 4.518 4.340 0.001 0.000 0.270 289 R C -0.236 176.029 176.300 -0.058 0.000 1.061 289 R CA -0.008 56.057 56.100 -0.058 0.000 1.107 289 R CB 0.238 30.488 30.300 -0.083 0.000 0.999 289 R HN 0.279 nan 8.270 nan 0.000 0.460 290 I N 2.006 122.522 120.570 -0.090 0.000 2.545 290 I HA 0.454 4.625 4.170 0.001 0.000 0.292 290 I C -1.260 174.821 176.117 -0.061 0.000 1.040 290 I CA -1.030 60.218 61.300 -0.086 0.000 1.068 290 I CB 1.737 39.670 38.000 -0.111 0.000 1.251 290 I HN 0.412 nan 8.210 nan 0.000 0.424 291 L N 4.608 125.835 121.223 0.007 0.000 2.319 291 L HA 0.576 4.917 4.340 0.001 0.000 0.267 291 L C 0.312 177.338 176.870 0.259 0.000 1.011 291 L CA -0.987 53.901 54.840 0.080 0.000 0.818 291 L CB 1.967 43.979 42.059 -0.077 0.000 1.316 291 L HN 0.710 nan 8.230 nan 0.000 0.432 292 R N 1.296 122.005 120.500 0.348 0.000 2.585 292 R HA 0.086 4.426 4.340 0.001 0.000 0.275 292 R C -0.586 175.770 176.300 0.094 0.000 1.018 292 R CA -0.541 55.623 56.100 0.108 0.000 1.072 292 R CB 0.453 30.800 30.300 0.077 0.000 0.953 292 R HN 0.369 nan 8.270 nan 0.000 0.419 293 L N 8.019 129.252 121.223 0.016 0.000 2.418 293 L HA 0.275 4.616 4.340 0.001 0.000 0.274 293 L C -2.236 174.711 176.870 0.129 0.000 1.135 293 L CA -1.685 53.203 54.840 0.081 0.000 0.870 293 L CB 0.814 42.946 42.059 0.123 0.000 1.154 293 L HN 0.576 nan 8.230 nan 0.000 0.462 294 P HA 0.098 nan 4.420 nan 0.000 0.265 294 P C 0.123 177.567 177.300 0.240 0.000 1.193 294 P CA 0.932 64.140 63.100 0.180 0.000 0.765 294 P CB 0.804 32.620 31.700 0.193 0.000 0.823 295 S N -0.305 115.560 115.700 0.276 0.000 2.089 295 S HA -0.140 4.331 4.470 0.001 0.000 0.251 295 S C 0.439 175.356 174.600 0.528 0.000 1.211 295 S CA 0.852 59.292 58.200 0.400 0.000 1.307 295 S CB -2.748 60.710 63.200 0.430 0.000 1.617 295 S HN 0.678 nan 8.310 nan 0.000 0.596 296 T N 1.111 115.873 114.554 0.347 0.000 2.849 296 T HA 0.697 5.048 4.350 0.001 0.000 0.284 296 T C 0.082 174.832 174.700 0.084 0.000 1.004 296 T CA -0.267 61.983 62.100 0.249 0.000 1.021 296 T CB 1.356 70.286 68.868 0.105 0.000 1.013 296 T HN 1.110 nan 8.240 nan 0.000 0.527 297 L N 2.077 123.268 121.223 -0.053 0.000 2.349 297 L HA 0.313 4.654 4.340 0.001 0.000 0.275 297 L C 0.066 176.823 176.870 -0.189 0.000 1.115 297 L CA -0.309 54.343 54.840 -0.314 0.000 0.820 297 L CB 0.405 42.022 42.059 -0.737 0.000 1.135 297 L HN 0.821 nan 8.230 nan 0.000 0.445 298 H N 3.473 122.400 119.070 -0.239 0.000 2.787 298 H HA 0.222 4.779 4.556 0.001 0.000 0.275 298 H C 0.717 175.890 175.328 -0.258 0.000 1.183 298 H CA 0.174 56.096 56.048 -0.211 0.000 1.290 298 H CB 0.996 30.659 29.762 -0.166 0.000 1.438 298 H HN 0.869 nan 8.280 nan 0.000 0.487 299 S N 3.553 119.058 115.700 -0.326 0.000 2.440 299 S HA -0.125 4.346 4.470 0.001 0.000 0.240 299 S C 1.843 176.346 174.600 -0.162 0.000 1.014 299 S CA 1.059 58.979 58.200 -0.466 0.000 0.980 299 S CB 0.221 62.571 63.200 -1.417 0.000 0.775 299 S HN 0.643 nan 8.310 nan 0.000 0.499 300 K N 0.513 121.003 120.400 0.151 0.000 2.243 300 K HA 0.035 4.356 4.320 0.001 0.000 0.201 300 K C 1.666 178.312 176.600 0.076 0.000 1.051 300 K CA 1.201 57.608 56.287 0.200 0.000 0.970 300 K CB 0.138 32.837 32.500 0.332 0.000 0.755 300 K HN 0.443 nan 8.250 nan 0.000 0.465 301 V N -4.325 115.588 119.914 -0.001 0.000 3.604 301 V HA 0.390 4.510 4.120 0.001 0.000 0.277 301 V C 0.864 176.905 176.094 -0.090 0.000 1.399 301 V CA 0.131 62.373 62.300 -0.096 0.000 1.034 301 V CB 0.361 32.046 31.823 -0.230 0.000 0.824 301 V HN 0.267 nan 8.190 nan 0.000 0.439 302 G N 1.208 109.961 108.800 -0.080 0.000 2.212 302 G HA2 -0.204 3.757 3.960 0.001 0.000 0.255 302 G HA3 -0.204 3.757 3.960 0.001 0.000 0.255 302 G C -0.349 174.427 174.900 -0.208 0.000 1.062 302 G CA 0.695 45.721 45.100 -0.123 0.000 0.815 302 G HN 0.563 nan 8.290 nan 0.000 0.497 303 L N -1.028 120.090 121.223 -0.175 0.000 2.309 303 L HA 0.704 5.045 4.340 0.001 0.000 0.261 303 L C 0.647 177.451 176.870 -0.110 0.000 1.021 303 L CA -1.435 53.304 54.840 -0.167 0.000 0.823 303 L CB 1.941 43.921 42.059 -0.131 0.000 1.366 303 L HN 0.038 nan 8.230 nan 0.000 0.423 304 I N 0.986 121.524 120.570 -0.053 0.000 2.428 304 I HA 0.329 4.500 4.170 0.001 0.000 0.296 304 I C 0.355 176.550 176.117 0.129 0.000 0.985 304 I CA -0.421 60.891 61.300 0.019 0.000 1.260 304 I CB 1.851 39.899 38.000 0.080 0.000 1.389 304 I HN 0.616 nan 8.210 nan 0.000 0.484 305 A N 7.103 129.987 122.820 0.107 0.000 2.527 305 A HA 0.267 4.588 4.320 0.001 0.000 0.313 305 A C -0.027 177.653 177.584 0.160 0.000 1.410 305 A CA -0.244 51.845 52.037 0.086 0.000 1.060 305 A CB -0.201 18.817 19.000 0.030 0.000 1.137 305 A HN 0.687 nan 8.150 nan 0.000 0.542 306 K N 1.506 122.033 120.400 0.212 0.000 2.098 306 K HA 0.324 4.645 4.320 0.001 0.000 0.258 306 K C -1.008 175.659 176.600 0.111 0.000 0.973 306 K CA -0.653 55.749 56.287 0.191 0.000 0.898 306 K CB 0.931 33.570 32.500 0.232 0.000 1.057 306 K HN 0.620 nan 8.250 nan 0.000 0.447 307 Y N 2.617 122.941 120.300 0.039 0.000 2.442 307 Y HA 0.020 4.571 4.550 0.001 0.000 0.330 307 Y C 0.500 176.354 175.900 -0.077 0.000 1.129 307 Y CA 0.288 58.407 58.100 0.032 0.000 1.365 307 Y CB 0.758 39.264 38.460 0.077 0.000 1.233 307 Y HN 0.332 nan 8.280 nan 0.000 0.529 308 V N 4.890 124.416 119.914 -0.647 0.000 3.263 308 V HA 0.382 4.503 4.120 0.001 0.000 0.248 308 V C 0.994 176.797 176.094 -0.486 0.000 1.145 308 V CA 1.106 63.058 62.300 -0.581 0.000 1.107 308 V CB -0.133 31.350 31.823 -0.567 0.000 0.797 308 V HN 1.135 nan 8.190 nan 0.000 0.467 309 G N 0.509 108.831 108.800 -0.796 0.000 2.291 309 G HA2 0.080 4.041 3.960 0.001 0.000 0.249 309 G HA3 0.080 4.041 3.960 0.001 0.000 0.249 309 G C 0.155 174.927 174.900 -0.214 0.000 1.340 309 G CA 0.424 45.308 45.100 -0.361 0.000 1.017 309 G HN 0.376 nan 8.290 nan 0.000 0.470 310 T N -1.915 112.590 114.554 -0.081 0.000 3.209 310 T HA 0.535 4.886 4.350 0.001 0.000 0.295 310 T C 0.055 174.706 174.700 -0.081 0.000 0.977 310 T CA 0.809 62.854 62.100 -0.092 0.000 0.922 310 T CB -0.398 68.432 68.868 -0.064 0.000 1.152 310 T HN 1.780 nan 8.240 nan 0.000 0.527 311 N N -0.300 118.359 118.700 -0.068 0.000 3.116 311 N HA 0.345 5.086 4.740 0.001 0.000 0.244 311 N C 0.084 175.565 175.510 -0.049 0.000 1.485 311 N CA -0.920 52.101 53.050 -0.050 0.000 0.884 311 N CB 0.716 39.187 38.487 -0.028 0.000 1.415 311 N HN -0.140 nan 8.380 nan 0.000 0.524 312 E N 0.120 120.298 120.200 -0.037 0.000 2.118 312 E HA -0.105 4.245 4.350 0.001 0.000 0.195 312 E C 1.247 177.836 176.600 -0.019 0.000 0.992 312 E CA 1.421 57.800 56.400 -0.035 0.000 0.804 312 E CB -0.224 29.463 29.700 -0.022 0.000 0.741 312 E HN 0.527 nan 8.360 nan 0.000 0.458 313 R N 0.842 121.337 120.500 -0.010 0.000 2.081 313 R HA -0.099 4.242 4.340 0.001 0.000 0.235 313 R C 1.752 178.056 176.300 0.006 0.000 1.131 313 R CA 1.615 57.717 56.100 0.003 0.000 0.960 313 R CB -0.343 29.960 30.300 0.005 0.000 0.856 313 R HN 0.176 nan 8.270 nan 0.000 0.436 314 D N -0.162 120.234 120.400 -0.008 0.000 2.117 314 D HA -0.116 4.525 4.640 0.001 0.000 0.197 314 D C 1.911 178.218 176.300 0.011 0.000 0.987 314 D CA 1.034 55.028 54.000 -0.010 0.000 0.829 314 D CB -0.337 40.435 40.800 -0.046 0.000 0.961 314 D HN -0.030 nan 8.370 nan 0.000 0.460 315 V N 1.036 120.941 119.914 -0.015 0.000 2.255 315 V HA -0.265 3.856 4.120 0.001 0.000 0.247 315 V C 2.356 178.500 176.094 0.084 0.000 1.051 315 V CA 1.408 63.708 62.300 -0.000 0.000 1.018 315 V CB -0.345 31.424 31.823 -0.091 0.000 0.641 315 V HN 0.228 nan 8.190 nan 0.000 0.445 316 M N -0.555 119.073 119.600 0.047 0.000 2.296 316 M HA -0.070 4.411 4.480 0.001 0.000 0.265 316 M C 2.077 178.432 176.300 0.091 0.000 1.064 316 M CA 1.391 56.729 55.300 0.063 0.000 1.109 316 M CB -1.223 31.397 32.600 0.034 0.000 1.396 316 M HN 0.326 nan 8.290 nan 0.000 0.430 317 R N -1.317 119.238 120.500 0.092 0.000 2.307 317 R HA 0.051 4.392 4.340 0.001 0.000 0.199 317 R C 0.252 176.639 176.300 0.145 0.000 1.000 317 R CA 0.018 56.171 56.100 0.088 0.000 1.023 317 R CB -0.137 30.190 30.300 0.045 0.000 0.908 317 R HN 0.135 nan 8.270 nan 0.000 0.473 318 F N 1.202 121.172 119.950 0.033 0.000 2.379 318 F HA 0.318 4.846 4.527 0.001 0.000 0.332 318 F C -0.365 175.529 175.800 0.156 0.000 1.096 318 F CA -0.932 57.127 58.000 0.098 0.000 1.105 318 F CB 1.060 40.099 39.000 0.064 0.000 1.189 318 F HN -0.210 nan 8.300 nan 0.000 0.515 319 N N 5.341 123.604 118.700 -0.729 0.000 2.503 319 N HA 0.359 5.100 4.740 0.001 0.000 0.287 319 N C -2.464 172.289 175.510 -1.262 0.000 1.096 319 N CA -1.565 51.060 53.050 -0.709 0.000 0.936 319 N CB 2.342 40.604 38.487 -0.375 0.000 1.570 319 N HN 0.148 nan 8.380 nan 0.000 0.504 320 P HA -0.087 nan 4.420 nan 0.000 0.215 320 P C 0.421 177.144 177.300 -0.961 0.000 1.153 320 P CA 1.255 63.587 63.100 -1.280 0.000 0.853 320 P CB 0.046 30.887 31.700 -1.432 0.000 0.788 321 F N -0.635 118.957 119.950 -0.597 0.000 2.699 321 F HA 0.024 4.552 4.527 0.001 0.000 0.298 321 F C 1.951 177.398 175.800 -0.588 0.000 1.154 321 F CA 1.036 58.707 58.000 -0.548 0.000 1.457 321 F CB -0.452 38.150 39.000 -0.663 0.000 1.106 321 F HN -0.097 nan 8.300 nan 0.000 0.585 322 K N -1.536 118.497 120.400 -0.611 0.000 2.435 322 K HA 0.148 4.468 4.320 0.001 0.000 0.199 322 K C 0.595 176.702 176.600 -0.822 0.000 1.153 322 K CA 0.268 56.107 56.287 -0.746 0.000 0.974 322 K CB 0.439 32.360 32.500 -0.965 0.000 0.997 322 K HN 0.251 nan 8.250 nan 0.000 0.547 323 H N -1.508 117.334 119.070 -0.381 0.000 3.230 323 H HA 0.335 4.891 4.556 0.001 0.000 0.259 323 H C 0.148 175.440 175.328 -0.061 0.000 1.195 323 H CA 0.087 56.024 56.048 -0.185 0.000 1.112 323 H CB 1.469 31.166 29.762 -0.107 0.000 1.638 323 H HN 0.058 nan 8.280 nan 0.000 0.624 324 A N 1.048 123.783 122.820 -0.142 0.000 2.568 324 A HA 0.394 4.715 4.320 0.001 0.000 0.287 324 A C -0.199 177.299 177.584 -0.143 0.000 0.967 324 A CA -0.144 51.865 52.037 -0.047 0.000 1.004 324 A CB 0.231 19.209 19.000 -0.037 0.000 1.233 324 A HN 0.002 nan 8.150 nan 0.000 0.513 325 V N 3.107 122.920 119.914 -0.167 0.000 2.350 325 V HA 0.330 4.451 4.120 0.001 0.000 0.276 325 V C -2.175 173.822 176.094 -0.162 0.000 1.028 325 V CA -1.745 60.434 62.300 -0.202 0.000 0.860 325 V CB 1.248 32.950 31.823 -0.203 0.000 0.990 325 V HN 0.429 nan 8.190 nan 0.000 0.453 326 P HA 0.159 nan 4.420 nan 0.000 0.271 326 P C 0.541 177.725 177.300 -0.193 0.000 1.216 326 P CA -0.382 62.623 63.100 -0.159 0.000 0.776 326 P CB 1.025 32.514 31.700 -0.351 0.000 0.881 327 K N 2.483 122.901 120.400 0.029 0.000 2.077 327 K HA -0.187 4.134 4.320 0.001 0.000 0.213 327 K C 1.686 178.309 176.600 0.037 0.000 1.051 327 K CA 1.875 58.189 56.287 0.045 0.000 0.929 327 K CB -1.272 31.299 32.500 0.119 0.000 0.715 327 K HN 0.676 nan 8.250 nan 0.000 0.451 328 F N 0.090 120.081 119.950 0.068 0.000 2.773 328 F HA 0.073 4.601 4.527 0.001 0.000 0.299 328 F C 1.228 177.041 175.800 0.021 0.000 1.204 328 F CA 0.378 58.406 58.000 0.045 0.000 1.454 328 F CB -0.075 38.962 39.000 0.061 0.000 1.117 328 F HN -0.128 nan 8.300 nan 0.000 0.590 329 R N -0.139 120.119 120.500 -0.404 0.000 2.541 329 R HA 0.134 4.475 4.340 0.001 0.000 0.332 329 R C 1.504 177.702 176.300 -0.170 0.000 0.951 329 R CA -0.230 55.672 56.100 -0.329 0.000 1.136 329 R CB 0.202 30.165 30.300 -0.561 0.000 1.449 329 R HN 0.108 nan 8.270 nan 0.000 0.531 330 K N 1.264 121.591 120.400 -0.122 0.000 2.026 330 K HA -0.185 4.136 4.320 0.001 0.000 0.208 330 K C 1.744 178.319 176.600 -0.041 0.000 1.048 330 K CA 1.484 57.724 56.287 -0.078 0.000 0.929 330 K CB 0.093 32.561 32.500 -0.053 0.000 0.713 330 K HN 0.039 nan 8.250 nan 0.000 0.439 331 E N 1.620 121.810 120.200 -0.018 0.000 2.031 331 E HA -0.209 4.142 4.350 0.001 0.000 0.193 331 E C 1.969 178.572 176.600 0.005 0.000 0.994 331 E CA 1.720 58.120 56.400 -0.000 0.000 0.800 331 E CB -0.173 29.535 29.700 0.014 0.000 0.752 331 E HN 0.386 nan 8.360 nan 0.000 0.447 332 E N -0.470 119.732 120.200 0.003 0.000 2.097 332 E HA -0.177 4.174 4.350 0.001 0.000 0.196 332 E C 1.995 178.607 176.600 0.020 0.000 1.000 332 E CA 1.675 58.083 56.400 0.013 0.000 0.804 332 E CB -0.015 29.691 29.700 0.010 0.000 0.740 332 E HN 0.217 nan 8.360 nan 0.000 0.454 333 V N 1.234 121.152 119.914 0.007 0.000 2.515 333 V HA -0.203 3.918 4.120 0.001 0.000 0.250 333 V C 2.479 178.613 176.094 0.067 0.000 1.058 333 V CA 1.946 64.272 62.300 0.044 0.000 1.064 333 V CB -0.470 31.363 31.823 0.016 0.000 0.675 333 V HN 0.268 nan 8.190 nan 0.000 0.461 334 K N -0.113 120.305 120.400 0.031 0.000 2.103 334 K HA -0.112 4.209 4.320 0.001 0.000 0.204 334 K C 2.090 178.734 176.600 0.072 0.000 1.052 334 K CA 1.233 57.548 56.287 0.045 0.000 0.945 334 K CB -0.035 32.471 32.500 0.011 0.000 0.722 334 K HN 0.311 nan 8.250 nan 0.000 0.443 335 V N 1.896 121.839 119.914 0.048 0.000 2.244 335 V HA -0.203 3.918 4.120 0.001 0.000 0.244 335 V C 2.234 178.355 176.094 0.046 0.000 1.042 335 V CA 1.796 64.119 62.300 0.038 0.000 1.006 335 V CB -0.346 31.493 31.823 0.026 0.000 0.641 335 V HN 0.350 nan 8.190 nan 0.000 0.446 336 E N -0.870 119.362 120.200 0.055 0.000 2.153 336 E HA -0.216 4.135 4.350 0.001 0.000 0.194 336 E C 1.981 178.618 176.600 0.061 0.000 0.988 336 E CA 1.285 57.715 56.400 0.050 0.000 0.811 336 E CB -0.366 29.364 29.700 0.051 0.000 0.746 336 E HN 0.744 nan 8.360 nan 0.000 0.466 337 Y N 1.879 122.159 120.300 -0.034 0.000 2.200 337 Y HA -0.158 4.392 4.550 0.001 0.000 0.290 337 Y C 2.148 178.066 175.900 0.030 0.000 1.137 337 Y CA 1.525 59.594 58.100 -0.051 0.000 1.163 337 Y CB 0.079 38.468 38.460 -0.119 0.000 0.988 337 Y HN -0.086 nan 8.280 nan 0.000 0.518 338 K N 0.133 120.568 120.400 0.059 0.000 2.032 338 K HA -0.227 4.094 4.320 0.001 0.000 0.209 338 K C 1.987 178.533 176.600 -0.089 0.000 1.048 338 K CA 2.054 58.331 56.287 -0.016 0.000 0.927 338 K CB -0.209 32.299 32.500 0.013 0.000 0.712 338 K HN 0.300 nan 8.250 nan 0.000 0.441 339 K N 0.094 120.461 120.400 -0.054 0.000 2.152 339 K HA -0.167 4.153 4.320 0.001 0.000 0.206 339 K C 1.955 178.486 176.600 -0.115 0.000 1.048 339 K CA 1.326 57.572 56.287 -0.069 0.000 0.933 339 K CB -0.236 32.248 32.500 -0.027 0.000 0.721 339 K HN 0.128 nan 8.250 nan 0.000 0.447 340 F N 1.507 121.296 119.950 -0.268 0.000 2.186 340 F HA -0.080 4.448 4.527 0.001 0.000 0.299 340 F C 1.519 177.115 175.800 -0.340 0.000 1.090 340 F CA 1.170 58.968 58.000 -0.337 0.000 1.307 340 F CB -0.110 38.569 39.000 -0.535 0.000 1.019 340 F HN -0.133 nan 8.300 nan 0.000 0.489 341 L N 0.075 120.909 121.223 -0.649 0.000 2.291 341 L HA -0.097 4.244 4.340 0.001 0.000 0.214 341 L C 2.411 179.028 176.870 -0.421 0.000 1.120 341 L CA 0.577 55.043 54.840 -0.624 0.000 0.799 341 L CB -0.701 41.151 42.059 -0.345 0.000 0.925 341 L HN 0.105 nan 8.230 nan 0.000 0.446 342 E N 0.481 120.497 120.200 -0.307 0.000 2.038 342 E HA -0.205 4.146 4.350 0.001 0.000 0.195 342 E C 2.210 178.672 176.600 -0.230 0.000 1.000 342 E CA 1.768 58.043 56.400 -0.208 0.000 0.803 342 E CB -0.348 29.266 29.700 -0.144 0.000 0.750 342 E HN 0.489 nan 8.360 nan 0.000 0.448 343 S N 0.363 115.894 115.700 -0.280 0.000 2.653 343 S HA -0.012 4.459 4.470 0.001 0.000 0.233 343 S C 0.945 175.373 174.600 -0.287 0.000 0.970 343 S CA 0.081 58.133 58.200 -0.247 0.000 0.947 343 S CB -0.483 62.586 63.200 -0.219 0.000 0.771 343 S HN 0.042 nan 8.310 nan 0.000 0.538 344 L N 1.394 122.412 121.223 -0.340 0.000 2.289 344 L HA 0.541 4.882 4.340 0.001 0.000 0.285 344 L C 1.288 178.045 176.870 -0.188 0.000 1.049 344 L CA -0.118 54.544 54.840 -0.296 0.000 0.804 344 L CB 0.854 42.690 42.059 -0.372 0.000 1.195 344 L HN 0.396 nan 8.230 nan 0.000 0.428 345 G N 1.769 110.482 108.800 -0.145 0.000 2.341 345 G HA2 -0.294 3.667 3.960 0.001 0.000 0.292 345 G HA3 -0.294 3.667 3.960 0.001 0.000 0.292 345 G C 0.485 175.327 174.900 -0.097 0.000 1.021 345 G CA 0.601 45.637 45.100 -0.106 0.000 0.905 345 G HN 0.753 nan 8.290 nan 0.000 0.508 346 T N 0.000 114.493 114.554 -0.101 0.000 3.816 346 T HA 0.000 4.351 4.350 0.001 0.000 0.228 346 T CA 0.000 62.048 62.100 -0.086 0.000 1.349 346 T CB 0.000 68.816 68.868 -0.087 0.000 0.612 346 T HN 0.000 nan 8.240 nan 0.000 0.658