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 1kmn_1_C DATA FIRST_RESID 4 DATA SEQUENCE NIQAIRGMND YLPGETAIWQ RIEGTLKNVL GSYGYSEIRL PIVEQTPLFK DATA SEQUENCE RAIGEVTDVV EKEMYTFEDR NGDSLTLRPE GTAGCVRAGI EHGLLYNQEQ DATA SEQUENCE RLWYIGPMFR HERPQKGRYR QFHQLGCEVF GLQGPDIDAE LIMLTARWWR DATA SEQUENCE ALGISEHVTL ELNSIGSLEA RANYRDALVA FLEQHXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXP ALGDYLDEES REHFAGLCKL LESAGIAYTV DATA SEQUENCE NQRLVRGLDY YNRTVFEWVT NSLGSQGTVC AGGRYDGLVE QLGGRATPAV DATA SEQUENCE GFAMGLERLV LLVQAVNPEF KADPVVDIYL VASGADTQSA AMALAERLRD DATA SEQUENCE ELPGVKLMTN HGGGNFKKQF ARADKWGARV AVVLGESEVA NGTAVVKDLR DATA SEQUENCE SGEQTAVAQD SVAAHLRTLL G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.510 175.510 0.000 0.000 1.280 4 N CA 0.000 53.050 53.050 -0.000 0.000 0.885 4 N CB 0.000 38.487 38.487 -0.001 0.000 1.341 5 I N 2.171 122.741 120.570 0.000 0.000 2.472 5 I HA 0.203 nan 4.170 nan 0.000 0.290 5 I C -0.178 175.939 176.117 -0.000 0.000 1.016 5 I CA -0.431 60.870 61.300 0.001 0.000 1.348 5 I CB 0.886 38.887 38.000 0.001 0.000 1.417 5 I HN 0.135 8.345 8.210 -0.000 0.000 0.521 6 Q N 3.950 123.751 119.800 0.002 0.000 2.166 6 Q HA 0.133 nan 4.340 nan 0.000 0.226 6 Q C -0.603 175.397 176.000 0.001 0.000 0.989 6 Q CA -0.641 55.162 55.803 -0.000 0.000 0.966 6 Q CB 1.333 30.072 28.738 0.002 0.000 1.173 6 Q HN 0.153 8.425 8.270 0.004 0.000 0.509 7 A N -0.282 122.536 122.820 -0.003 0.000 2.290 7 A HA 0.148 nan 4.320 nan 0.000 0.310 7 A C 0.187 177.776 177.584 0.009 0.000 1.202 7 A CA -0.608 51.428 52.037 -0.002 0.000 0.837 7 A CB 0.683 19.672 19.000 -0.019 0.000 1.139 7 A HN 0.127 8.273 8.150 -0.007 0.000 0.509 8 I N 3.169 123.751 120.570 0.021 0.000 3.114 8 I HA -0.300 nan 4.170 nan 0.000 0.320 8 I C 0.070 176.208 176.117 0.034 0.000 1.230 8 I CA -0.296 61.027 61.300 0.038 0.000 1.440 8 I CB 0.696 38.731 38.000 0.059 0.000 1.334 8 I HN 0.454 8.677 8.210 0.020 0.000 0.532 9 R N 7.827 128.346 120.500 0.032 0.000 2.538 9 R HA -0.317 nan 4.340 nan 0.000 0.273 9 R C 0.792 177.109 176.300 0.029 0.000 0.967 9 R CA 1.878 57.992 56.100 0.023 0.000 1.101 9 R CB 0.379 30.690 30.300 0.019 0.000 0.908 9 R HN 0.252 8.542 8.270 0.034 0.000 0.411 10 G N 2.057 110.879 108.800 0.036 0.000 2.162 10 G HA2 -0.346 nan 3.960 nan 0.000 0.260 10 G HA3 -0.346 nan 3.960 nan 0.000 0.260 10 G C -0.578 174.395 174.900 0.121 0.000 0.976 10 G CA 0.702 45.843 45.100 0.068 0.000 0.655 10 G HN 0.536 8.845 8.290 0.032 0.000 0.533 11 M N 0.106 119.746 119.600 0.067 0.000 2.126 11 M HA 0.158 nan 4.480 nan 0.000 0.217 11 M C -1.537 174.743 176.300 -0.033 0.000 0.873 11 M CA -0.820 54.497 55.300 0.028 0.000 0.707 11 M CB 0.190 32.808 32.600 0.030 0.000 1.515 11 M HN -0.334 7.923 8.290 0.046 0.061 0.369 12 N N 1.070 119.714 118.700 -0.094 0.000 2.467 12 N HA 0.076 nan 4.740 nan 0.000 0.262 12 N C -1.551 173.698 175.510 -0.436 0.000 1.234 12 N CA -0.382 52.519 53.050 -0.249 0.000 0.952 12 N CB 0.881 39.191 38.487 -0.295 0.000 1.158 12 N HN -0.044 8.310 8.380 -0.044 0.000 0.463 13 D N -0.539 119.615 120.400 -0.411 0.000 2.388 13 D HA 0.063 nan 4.640 nan 0.000 0.254 13 D C -1.030 174.886 176.300 -0.639 0.000 1.111 13 D CA 0.071 53.846 54.000 -0.375 0.000 0.993 13 D CB 0.817 41.511 40.800 -0.177 0.000 1.118 13 D HN 0.130 8.314 8.370 -0.310 0.000 0.502 14 Y N -0.834 119.346 120.300 -0.200 0.000 2.349 14 Y HA 0.192 nan 4.550 nan 0.000 0.324 14 Y C -0.945 174.856 175.900 -0.164 0.000 1.005 14 Y CA -0.601 57.335 58.100 -0.274 0.000 1.240 14 Y CB 1.277 39.422 38.460 -0.524 0.000 1.117 14 Y HN 0.134 8.374 8.280 -0.066 0.000 0.463 15 L N 3.771 125.001 121.223 0.011 0.000 2.453 15 L HA 0.175 nan 4.340 nan 0.000 0.261 15 L C -0.169 176.725 176.870 0.041 0.000 1.179 15 L CA -1.583 53.267 54.840 0.017 0.000 0.813 15 L CB -0.791 41.271 42.059 0.006 0.000 1.110 15 L HN 0.293 8.518 8.230 -0.008 0.000 0.466 16 P HA -0.380 nan 4.420 nan 0.000 0.214 16 P C 1.511 178.860 177.300 0.081 0.000 1.099 16 P CA 3.233 66.379 63.100 0.077 0.000 0.976 16 P CB -0.187 31.574 31.700 0.102 0.000 0.774 17 G N -5.405 103.441 108.800 0.076 0.000 2.503 17 G HA2 -0.246 nan 3.960 nan 0.000 0.221 17 G HA3 -0.246 nan 3.960 nan 0.000 0.221 17 G C 1.831 176.788 174.900 0.095 0.000 1.131 17 G CA 1.976 47.124 45.100 0.081 0.000 0.756 17 G HN 0.164 8.493 8.290 0.066 0.000 0.572 18 E N 0.495 120.750 120.200 0.091 0.000 2.158 18 E HA -0.097 nan 4.350 nan 0.000 0.191 18 E C 2.232 178.912 176.600 0.133 0.000 0.982 18 E CA 1.985 58.459 56.400 0.123 0.000 0.823 18 E CB -0.005 29.762 29.700 0.112 0.000 0.766 18 E HN -0.258 8.121 8.360 0.072 0.024 0.468 19 T N -1.865 112.727 114.554 0.063 0.000 2.746 19 T HA -0.289 nan 4.350 nan 0.000 0.267 19 T C 1.636 176.427 174.700 0.151 0.000 1.039 19 T CA 3.795 65.933 62.100 0.062 0.000 1.142 19 T CB -0.924 67.953 68.868 0.014 0.000 0.866 19 T HN -0.402 7.871 8.240 0.055 0.000 0.444 20 A N 1.911 124.807 122.820 0.127 0.000 1.884 20 A HA -0.393 nan 4.320 nan 0.000 0.219 20 A C 1.492 179.167 177.584 0.153 0.000 1.197 20 A CA 3.182 55.291 52.037 0.121 0.000 0.637 20 A CB -0.895 18.168 19.000 0.106 0.000 0.827 20 A HN -0.559 7.657 8.150 0.110 0.000 0.450 21 I N -4.179 116.504 120.570 0.189 0.000 2.361 21 I HA -0.448 nan 4.170 nan 0.000 0.251 21 I C 1.476 177.688 176.117 0.158 0.000 1.133 21 I CA 3.942 65.370 61.300 0.214 0.000 1.413 21 I CB -0.402 37.728 38.000 0.216 0.000 1.073 21 I HN -0.544 7.775 8.210 0.182 0.000 0.424 22 W N -0.638 120.632 121.300 -0.050 0.000 2.378 22 W HA -0.375 nan 4.660 nan 0.000 0.313 22 W C 2.102 178.570 176.519 -0.085 0.000 1.197 22 W CA 4.613 61.881 57.345 -0.129 0.000 1.304 22 W CB -0.621 28.695 29.460 -0.240 0.000 1.148 22 W HN -0.302 7.982 8.180 0.395 0.132 0.494 23 Q N -1.635 118.254 119.800 0.149 0.000 2.077 23 Q HA -0.517 nan 4.340 nan 0.000 0.206 23 Q C 2.694 178.725 176.000 0.051 0.000 0.989 23 Q CA 3.792 59.644 55.803 0.083 0.000 0.853 23 Q CB -0.460 28.329 28.738 0.084 0.000 0.907 23 Q HN 0.452 8.840 8.270 0.198 0.000 0.418 24 R N -0.988 119.566 120.500 0.090 0.000 2.088 24 R HA -0.306 nan 4.340 nan 0.000 0.232 24 R C 2.441 178.802 176.300 0.102 0.000 1.136 24 R CA 3.354 59.532 56.100 0.129 0.000 0.926 24 R CB -0.137 30.322 30.300 0.264 0.000 0.837 24 R HN -0.404 7.936 8.270 0.116 0.000 0.429 25 I N -1.094 119.497 120.570 0.035 0.000 2.194 25 I HA -0.556 nan 4.170 nan 0.000 0.246 25 I C 1.946 177.934 176.117 -0.215 0.000 1.093 25 I CA 3.800 65.005 61.300 -0.159 0.000 1.355 25 I CB -0.510 37.255 38.000 -0.390 0.000 1.046 25 I HN -0.456 7.783 8.210 0.047 0.000 0.413 26 E N -0.706 119.370 120.200 -0.207 0.000 2.021 26 E HA -0.435 nan 4.350 nan 0.000 0.200 26 E C 2.674 179.191 176.600 -0.139 0.000 1.015 26 E CA 3.288 59.572 56.400 -0.194 0.000 0.824 26 E CB -0.423 29.215 29.700 -0.104 0.000 0.762 26 E HN 0.237 8.485 8.360 -0.180 0.004 0.454 27 G N -1.255 107.510 108.800 -0.058 0.000 2.574 27 G HA2 -0.484 nan 3.960 nan 0.000 0.220 27 G HA3 -0.484 nan 3.960 nan 0.000 0.220 27 G C 1.168 176.045 174.900 -0.037 0.000 1.173 27 G CA 2.555 47.639 45.100 -0.027 0.000 0.772 27 G HN 0.078 8.348 8.290 -0.033 0.000 0.585 28 T N 5.770 120.306 114.554 -0.029 0.000 2.635 28 T HA -0.385 nan 4.350 nan 0.000 0.267 28 T C 2.251 176.932 174.700 -0.033 0.000 1.040 28 T CA 5.344 67.441 62.100 -0.006 0.000 1.156 28 T CB -0.533 68.346 68.868 0.018 0.000 0.863 28 T HN -0.504 7.726 8.240 -0.018 0.000 0.430 29 L N -0.449 120.654 121.223 -0.199 0.000 2.043 29 L HA -0.516 nan 4.340 nan 0.000 0.212 29 L C 2.346 179.182 176.870 -0.057 0.000 1.075 29 L CA 3.362 57.998 54.840 -0.340 0.000 0.752 29 L CB -0.685 40.905 42.059 -0.781 0.000 0.891 29 L HN -0.081 7.941 8.230 -0.240 0.064 0.432 30 K N -1.211 119.069 120.400 -0.200 0.000 1.985 30 K HA -0.431 nan 4.320 nan 0.000 0.210 30 K C 2.002 178.515 176.600 -0.144 0.000 1.047 30 K CA 3.424 59.519 56.287 -0.322 0.000 0.932 30 K CB -0.452 31.923 32.500 -0.209 0.000 0.716 30 K HN 0.252 8.303 8.250 -0.190 0.086 0.439 31 N N -0.257 118.422 118.700 -0.035 0.000 2.049 31 N HA -0.389 nan 4.740 nan 0.000 0.198 31 N C 2.072 177.610 175.510 0.047 0.000 1.030 31 N CA 3.587 56.648 53.050 0.018 0.000 0.870 31 N CB 0.272 38.777 38.487 0.030 0.000 1.045 31 N HN 0.073 8.325 8.380 -0.038 0.105 0.434 32 V N -1.092 118.882 119.914 0.100 0.000 2.490 32 V HA -0.324 nan 4.120 nan 0.000 0.250 32 V C 2.032 178.164 176.094 0.063 0.000 1.061 32 V CA 3.449 65.818 62.300 0.115 0.000 1.064 32 V CB -0.814 31.106 31.823 0.162 0.000 0.670 32 V HN -0.061 8.208 8.190 0.130 0.000 0.461 33 L N -2.310 118.886 121.223 -0.045 0.000 2.217 33 L HA -0.224 nan 4.340 nan 0.000 0.211 33 L C 1.707 178.631 176.870 0.090 0.000 1.107 33 L CA 2.434 57.172 54.840 -0.170 0.000 0.783 33 L CB -0.387 41.330 42.059 -0.569 0.000 0.919 33 L HN -0.290 7.785 8.230 -0.033 0.134 0.442 34 G N -1.893 106.949 108.800 0.071 0.000 2.394 34 G HA2 -0.297 nan 3.960 nan 0.000 0.215 34 G HA3 -0.297 nan 3.960 nan 0.000 0.215 34 G C 1.595 176.577 174.900 0.136 0.000 1.165 34 G CA 1.724 46.906 45.100 0.136 0.000 0.784 34 G HN 0.156 8.322 8.290 0.004 0.127 0.535 35 S N 1.694 117.457 115.700 0.105 0.000 2.488 35 S HA -0.267 nan 4.470 nan 0.000 0.246 35 S C 0.218 174.801 174.600 -0.028 0.000 0.992 35 S CA 2.719 60.932 58.200 0.021 0.000 0.963 35 S CB 0.023 63.215 63.200 -0.014 0.000 0.754 35 S HN 0.064 8.434 8.310 0.099 0.000 0.519 36 Y N -1.127 119.216 120.300 0.071 0.000 2.449 36 Y HA 0.028 nan 4.550 nan 0.000 0.254 36 Y C -0.622 175.338 175.900 0.101 0.000 1.140 36 Y CA 0.071 58.259 58.100 0.146 0.000 1.272 36 Y CB 0.781 39.431 38.460 0.316 0.000 1.114 36 Y HN -0.858 7.451 8.280 0.377 0.197 0.525 37 G N -2.549 106.374 108.800 0.204 0.000 2.176 37 G HA2 -0.393 nan 3.960 nan 0.000 0.232 37 G HA3 -0.393 nan 3.960 nan 0.000 0.232 37 G C -0.325 174.592 174.900 0.029 0.000 0.986 37 G CA -0.087 45.045 45.100 0.053 0.000 0.643 37 G HN -0.315 7.986 8.290 0.229 0.126 0.522 38 Y N 1.595 122.000 120.300 0.175 0.000 2.544 38 Y HA -0.207 nan 4.550 nan 0.000 0.330 38 Y C -0.358 175.773 175.900 0.385 0.000 1.136 38 Y CA 0.982 59.233 58.100 0.250 0.000 1.417 38 Y CB -0.016 38.587 38.460 0.238 0.000 1.229 38 Y HN -0.794 7.727 8.280 0.512 0.067 0.532 39 S N 4.658 120.605 115.700 0.412 0.000 2.565 39 S HA 0.228 nan 4.470 nan 0.000 0.290 39 S C -1.368 173.227 174.600 -0.010 0.000 1.150 39 S CA -1.333 57.042 58.200 0.290 0.000 1.058 39 S CB 1.722 64.995 63.200 0.122 0.000 1.032 39 S HN 0.029 8.516 8.310 0.295 0.000 0.510 40 E N 3.854 123.889 120.200 -0.275 0.000 2.354 40 E HA 0.307 nan 4.350 nan 0.000 0.269 40 E C -1.166 175.149 176.600 -0.474 0.000 1.036 40 E CA 0.211 56.009 56.400 -1.005 0.000 0.876 40 E CB 0.925 30.083 29.700 -0.903 0.000 1.009 40 E HN 0.242 8.623 8.360 0.036 0.000 0.416 41 I N 4.961 125.273 120.570 -0.429 0.000 2.499 41 I HA 0.205 nan 4.170 nan 0.000 0.288 41 I C -1.774 174.274 176.117 -0.114 0.000 1.048 41 I CA -1.236 59.965 61.300 -0.165 0.000 1.062 41 I CB 2.041 40.021 38.000 -0.034 0.000 1.238 41 I HN 0.307 8.152 8.210 -0.608 0.000 0.426 42 R N 7.742 128.189 120.500 -0.088 0.000 2.229 42 R HA 0.271 nan 4.340 nan 0.000 0.332 42 R C -0.428 175.859 176.300 -0.021 0.000 0.989 42 R CA -0.712 55.361 56.100 -0.046 0.000 0.842 42 R CB 0.642 30.916 30.300 -0.044 0.000 1.119 42 R HN 0.138 8.351 8.270 -0.095 0.000 0.456 43 L N 5.779 126.995 121.223 -0.012 0.000 2.342 43 L HA 0.578 nan 4.340 nan 0.000 0.271 43 L C -1.806 175.068 176.870 0.007 0.000 1.008 43 L CA -3.131 51.702 54.840 -0.012 0.000 0.818 43 L CB 0.716 42.742 42.059 -0.055 0.000 1.296 43 L HN 0.345 8.570 8.230 -0.009 0.000 0.427 44 P HA -0.038 nan 4.420 nan 0.000 0.266 44 P C -0.438 176.896 177.300 0.058 0.000 1.193 44 P CA 0.110 63.235 63.100 0.041 0.000 0.770 44 P CB 0.616 32.340 31.700 0.041 0.000 0.836 45 I N 0.208 120.819 120.570 0.069 0.000 2.500 45 I HA -0.101 nan 4.170 nan 0.000 0.252 45 I C -0.016 176.153 176.117 0.087 0.000 1.142 45 I CA 1.043 62.398 61.300 0.091 0.000 1.451 45 I CB -0.667 37.384 38.000 0.085 0.000 1.093 45 I HN -0.203 8.043 8.210 0.061 0.000 0.430 46 V N -6.866 113.094 119.914 0.076 0.000 2.881 46 V HA 0.578 nan 4.120 nan 0.000 0.316 46 V C -1.010 175.151 176.094 0.113 0.000 1.070 46 V CA -2.246 60.103 62.300 0.081 0.000 0.976 46 V CB 2.280 34.148 31.823 0.074 0.000 1.038 46 V HN -0.638 7.593 8.190 0.068 0.000 0.446 47 E N -0.058 120.239 120.200 0.162 0.000 2.449 47 E HA 0.266 nan 4.350 nan 0.000 0.278 47 E C -1.931 174.745 176.600 0.127 0.000 0.992 47 E CA -2.124 54.373 56.400 0.160 0.000 0.807 47 E CB 4.593 34.431 29.700 0.229 0.000 1.350 47 E HN 0.465 8.916 8.360 0.152 0.000 0.462 48 Q N -0.502 119.331 119.800 0.055 0.000 2.337 48 Q HA 0.024 nan 4.340 nan 0.000 0.270 48 Q C 1.240 177.305 176.000 0.108 0.000 1.002 48 Q CA 1.190 57.006 55.803 0.022 0.000 0.888 48 Q CB 0.263 28.993 28.738 -0.013 0.000 1.222 48 Q HN 0.362 8.642 8.270 0.017 0.000 0.400 49 T N 8.779 123.377 114.554 0.072 0.000 2.833 49 T HA -0.115 nan 4.350 nan 0.000 0.269 49 T C -0.556 174.229 174.700 0.142 0.000 1.054 49 T CA 5.467 67.645 62.100 0.130 0.000 1.135 49 T CB -2.048 66.827 68.868 0.012 0.000 0.869 49 T HN 0.408 8.644 8.240 -0.007 0.000 0.466 50 P HA -0.105 nan 4.420 nan 0.000 0.218 50 P C 0.712 178.032 177.300 0.033 0.000 1.149 50 P CA 2.268 65.392 63.100 0.040 0.000 0.817 50 P CB -0.516 31.188 31.700 0.007 0.000 0.785 51 L N -0.766 120.449 121.223 -0.013 0.000 1.956 51 L HA -0.357 nan 4.340 nan 0.000 0.216 51 L C 1.152 177.938 176.870 -0.141 0.000 1.073 51 L CA 3.829 58.573 54.840 -0.160 0.000 0.762 51 L CB -0.462 41.362 42.059 -0.391 0.000 0.889 51 L HN -0.586 7.625 8.230 0.002 0.020 0.433 52 F N -5.506 114.452 119.950 0.012 0.000 2.451 52 F HA -0.316 nan 4.527 nan 0.000 0.299 52 F C 2.078 177.889 175.800 0.020 0.000 1.101 52 F CA 3.379 61.396 58.000 0.028 0.000 1.436 52 F CB -0.933 38.087 39.000 0.034 0.000 1.074 52 F HN -0.443 8.011 8.300 0.257 0.000 0.553 53 K N -0.504 120.011 120.400 0.191 0.000 2.067 53 K HA -0.205 nan 4.320 nan 0.000 0.203 53 K C 2.625 179.264 176.600 0.066 0.000 1.048 53 K CA 3.049 59.400 56.287 0.106 0.000 0.954 53 K CB -0.174 32.371 32.500 0.076 0.000 0.737 53 K HN -0.791 7.421 8.250 0.190 0.152 0.444 54 R N -1.267 119.261 120.500 0.046 0.000 2.066 54 R HA -0.246 nan 4.340 nan 0.000 0.232 54 R C 1.868 178.192 176.300 0.040 0.000 1.131 54 R CA 2.570 58.687 56.100 0.029 0.000 0.955 54 R CB 0.017 30.321 30.300 0.007 0.000 0.851 54 R HN 0.163 8.353 8.270 0.044 0.106 0.432 55 A N -1.816 121.028 122.820 0.040 0.000 1.832 55 A HA -0.101 nan 4.320 nan 0.000 0.214 55 A C 1.141 178.802 177.584 0.129 0.000 1.200 55 A CA 1.993 54.081 52.037 0.085 0.000 0.610 55 A CB 0.086 19.107 19.000 0.034 0.000 0.842 55 A HN 0.225 8.278 8.150 0.016 0.107 0.444 56 I N -4.500 116.128 120.570 0.096 0.000 2.353 56 I HA -0.220 nan 4.170 nan 0.000 0.248 56 I C -0.518 175.565 176.117 -0.056 0.000 1.119 56 I CA 1.577 62.864 61.300 -0.021 0.000 1.417 56 I CB 0.737 38.773 38.000 0.061 0.000 1.078 56 I HN -0.692 7.486 8.210 0.127 0.108 0.421 57 G N -5.198 103.608 108.800 0.010 0.000 2.764 57 G HA2 -0.198 nan 3.960 nan 0.000 0.678 57 G HA3 -0.198 nan 3.960 nan 0.000 0.678 57 G C 0.261 175.172 174.900 0.018 0.000 1.341 57 G CA -0.808 44.295 45.100 0.006 0.000 0.836 57 G HN -0.888 7.430 8.290 0.045 0.000 0.632 58 E N 3.330 123.542 120.200 0.020 0.000 2.028 58 E HA -0.230 nan 4.350 nan 0.000 0.191 58 E C 1.148 177.755 176.600 0.012 0.000 0.988 58 E CA 2.786 59.197 56.400 0.018 0.000 0.799 58 E CB -0.101 29.608 29.700 0.016 0.000 0.755 58 E HN 0.562 8.934 8.360 0.019 0.000 0.447 59 V N -9.882 110.038 119.914 0.010 0.000 3.590 59 V HA 0.138 nan 4.120 nan 0.000 0.272 59 V C 0.256 176.355 176.094 0.007 0.000 1.233 59 V CA -0.984 61.321 62.300 0.008 0.000 1.182 59 V CB -2.158 29.671 31.823 0.009 0.000 0.901 59 V HN -0.161 8.036 8.190 0.011 0.000 0.485 60 T N -2.464 112.095 114.554 0.007 0.000 2.907 60 T HA 0.087 nan 4.350 nan 0.000 0.298 60 T C 0.913 175.619 174.700 0.009 0.000 1.017 60 T CA -0.608 61.495 62.100 0.006 0.000 1.118 60 T CB 1.823 70.690 68.868 -0.002 0.000 0.948 60 T HN -0.658 7.374 8.240 0.009 0.213 0.531 61 D N 4.557 124.964 120.400 0.010 0.000 2.182 61 D HA -0.224 nan 4.640 nan 0.000 0.201 61 D C 1.760 178.070 176.300 0.018 0.000 0.986 61 D CA 3.288 57.295 54.000 0.012 0.000 0.847 61 D CB -0.261 40.546 40.800 0.012 0.000 0.942 61 D HN 0.506 8.882 8.370 0.010 0.000 0.467 62 V N -1.032 118.898 119.914 0.026 0.000 2.223 62 V HA -0.344 nan 4.120 nan 0.000 0.244 62 V C 2.023 178.137 176.094 0.033 0.000 1.045 62 V CA 3.729 66.054 62.300 0.042 0.000 1.000 62 V CB -0.795 31.064 31.823 0.058 0.000 0.635 62 V HN -0.122 8.060 8.190 0.022 0.021 0.445 63 V N -0.533 119.399 119.914 0.031 0.000 2.219 63 V HA -0.553 nan 4.120 nan 0.000 0.248 63 V C 2.410 178.508 176.094 0.006 0.000 1.053 63 V CA 3.717 66.032 62.300 0.025 0.000 1.009 63 V CB -0.848 30.996 31.823 0.036 0.000 0.636 63 V HN -0.561 7.649 8.190 0.032 0.000 0.445 64 E N -1.042 119.161 120.200 0.004 0.000 2.072 64 E HA -0.342 nan 4.350 nan 0.000 0.218 64 E C 1.905 178.492 176.600 -0.021 0.000 1.051 64 E CA 2.777 59.172 56.400 -0.008 0.000 0.880 64 E CB 0.043 29.740 29.700 -0.006 0.000 0.783 64 E HN -0.266 8.099 8.360 0.009 0.000 0.473 65 K N -5.350 115.040 120.400 -0.016 0.000 2.506 65 K HA 0.193 nan 4.320 nan 0.000 0.204 65 K C 0.613 177.205 176.600 -0.014 0.000 1.045 65 K CA 0.342 56.608 56.287 -0.034 0.000 1.074 65 K CB 0.894 33.373 32.500 -0.034 0.000 0.842 65 K HN -0.432 7.816 8.250 -0.003 0.000 0.514 66 E N -0.544 119.668 120.200 0.020 0.000 2.367 66 E HA 0.099 nan 4.350 nan 0.000 0.204 66 E C -0.201 176.464 176.600 0.109 0.000 0.840 66 E CA 0.108 56.558 56.400 0.085 0.000 1.051 66 E CB 1.979 31.740 29.700 0.101 0.000 1.051 66 E HN -0.046 8.322 8.360 0.013 0.000 0.509 67 M N 0.420 120.051 119.600 0.052 0.000 2.252 67 M HA -0.223 nan 4.480 nan 0.000 0.321 67 M C 0.621 176.971 176.300 0.083 0.000 1.070 67 M CA 1.897 57.227 55.300 0.050 0.000 1.143 67 M CB 0.577 33.136 32.600 -0.067 0.000 1.498 67 M HN -0.808 7.493 8.290 0.020 0.000 0.445 68 Y N 3.090 123.396 120.300 0.011 0.000 2.850 68 Y HA 0.223 nan 4.550 nan 0.000 0.360 68 Y C -0.951 174.975 175.900 0.045 0.000 1.174 68 Y CA -1.047 57.094 58.100 0.069 0.000 1.373 68 Y CB -1.616 36.896 38.460 0.086 0.000 1.487 68 Y HN 0.363 8.791 8.280 0.247 0.000 0.553 69 T N 5.152 119.752 114.554 0.077 0.000 2.913 69 T HA 0.301 nan 4.350 nan 0.000 0.297 69 T C -1.079 173.678 174.700 0.095 0.000 1.029 69 T CA 1.199 63.288 62.100 -0.017 0.000 1.104 69 T CB 0.421 69.259 68.868 -0.049 0.000 0.964 69 T HN -0.138 8.068 8.240 0.025 0.049 0.532 70 F N 1.006 120.959 119.950 0.005 0.000 3.306 70 F HA 0.487 nan 4.527 nan 0.000 0.326 70 F C -2.696 173.106 175.800 0.004 0.000 1.169 70 F CA -2.222 55.780 58.000 0.003 0.000 0.883 70 F CB 1.956 40.961 39.000 0.008 0.000 1.505 70 F HN 0.689 8.696 8.300 -0.489 0.000 0.504 71 E N -0.638 119.817 120.200 0.424 0.000 2.224 71 E HA 0.193 nan 4.350 nan 0.000 0.265 71 E C -2.060 174.748 176.600 0.347 0.000 0.878 71 E CA -1.549 54.984 56.400 0.223 0.000 0.759 71 E CB 3.056 32.836 29.700 0.133 0.000 1.164 71 E HN -0.052 8.706 8.360 0.664 0.000 0.414 72 D N 2.825 123.345 120.400 0.200 0.000 2.377 72 D HA 0.000 nan 4.640 nan 0.000 0.245 72 D C 1.560 177.930 176.300 0.116 0.000 1.196 72 D CA -0.409 53.712 54.000 0.200 0.000 0.962 72 D CB 1.722 42.591 40.800 0.114 0.000 1.127 72 D HN 0.158 8.571 8.370 0.072 0.000 0.471 73 R N 1.638 122.192 120.500 0.090 0.000 2.369 73 R HA -0.083 nan 4.340 nan 0.000 0.200 73 R C -0.819 175.505 176.300 0.039 0.000 1.046 73 R CA 1.117 57.250 56.100 0.055 0.000 1.057 73 R CB -1.164 29.160 30.300 0.040 0.000 0.888 73 R HN 0.508 8.837 8.270 0.099 0.000 0.474 74 N N -4.174 114.549 118.700 0.039 0.000 2.466 74 N HA 0.089 nan 4.740 nan 0.000 0.272 74 N C -0.001 175.521 175.510 0.020 0.000 1.455 74 N CA -0.352 52.713 53.050 0.025 0.000 0.875 74 N CB -0.269 38.230 38.487 0.019 0.000 1.372 74 N HN -0.789 7.516 8.380 0.049 0.105 0.492 75 G N 0.041 108.857 108.800 0.026 0.000 2.184 75 G HA2 -0.453 nan 3.960 nan 0.000 0.264 75 G HA3 -0.453 nan 3.960 nan 0.000 0.264 75 G C -1.127 173.776 174.900 0.006 0.000 0.975 75 G CA 0.495 45.605 45.100 0.017 0.000 0.642 75 G HN -0.311 8.001 8.290 0.037 0.000 0.536 76 D N 0.262 120.663 120.400 0.002 0.000 2.424 76 D HA -0.090 nan 4.640 nan 0.000 0.244 76 D C -0.770 175.494 176.300 -0.060 0.000 1.134 76 D CA 1.045 55.031 54.000 -0.023 0.000 0.881 76 D CB 0.655 41.442 40.800 -0.022 0.000 1.191 76 D HN -0.259 8.045 8.370 0.013 0.074 0.445 77 S N 2.346 118.002 115.700 -0.074 0.000 2.439 77 S HA 0.482 nan 4.470 nan 0.000 0.282 77 S C -0.892 173.590 174.600 -0.198 0.000 1.170 77 S CA -0.311 57.816 58.200 -0.122 0.000 1.054 77 S CB 0.297 63.454 63.200 -0.071 0.000 0.956 77 S HN 0.209 8.487 8.310 -0.052 0.000 0.490 78 L N 7.859 128.825 121.223 -0.428 0.000 2.332 78 L HA 0.777 nan 4.340 nan 0.000 0.269 78 L C -1.412 175.113 176.870 -0.574 0.000 1.016 78 L CA -1.246 53.266 54.840 -0.547 0.000 0.809 78 L CB 2.862 44.374 42.059 -0.912 0.000 1.280 78 L HN 0.394 8.298 8.230 -0.543 0.000 0.447 79 T N 1.956 116.315 114.554 -0.324 0.000 3.172 79 T HA 0.300 nan 4.350 nan 0.000 0.320 79 T C -1.430 173.182 174.700 -0.147 0.000 1.085 79 T CA 0.229 62.190 62.100 -0.230 0.000 1.052 79 T CB 2.391 71.112 68.868 -0.245 0.000 1.107 79 T HN 0.608 8.733 8.240 -0.193 0.000 0.458 80 L N 6.391 127.561 121.223 -0.088 0.000 2.433 80 L HA 0.201 nan 4.340 nan 0.000 0.275 80 L C -0.424 176.390 176.870 -0.095 0.000 1.128 80 L CA -0.744 54.019 54.840 -0.129 0.000 0.875 80 L CB -0.081 41.763 42.059 -0.359 0.000 1.171 80 L HN 0.141 8.368 8.230 -0.006 0.000 0.463 81 R N 5.961 126.461 120.500 -0.001 0.000 2.494 81 R HA -0.130 nan 4.340 nan 0.000 0.291 81 R C -1.129 175.231 176.300 0.101 0.000 0.953 81 R CA 0.435 56.551 56.100 0.027 0.000 1.098 81 R CB -0.814 29.649 30.300 0.272 0.000 0.911 81 R HN 0.287 8.602 8.270 0.075 0.000 0.407 82 P HA 0.137 nan 4.420 nan 0.000 0.252 82 P C -1.108 176.366 177.300 0.290 0.000 1.218 82 P CA 0.841 64.064 63.100 0.205 0.000 0.807 82 P CB 0.557 32.339 31.700 0.136 0.000 1.072 83 E N -3.463 116.904 120.200 0.278 0.000 2.449 83 E HA 0.218 nan 4.350 nan 0.000 0.278 83 E C -1.094 175.601 176.600 0.157 0.000 1.059 83 E CA -0.813 55.741 56.400 0.258 0.000 0.854 83 E CB 1.512 31.402 29.700 0.316 0.000 1.465 83 E HN -0.630 7.876 8.360 0.323 0.047 0.462 84 G N -3.318 105.505 108.800 0.038 0.000 2.743 84 G HA2 0.307 nan 3.960 nan 0.000 0.206 84 G HA3 0.307 nan 3.960 nan 0.000 0.206 84 G C 0.286 175.046 174.900 -0.233 0.000 1.115 84 G CA 0.772 45.653 45.100 -0.366 0.000 0.782 84 G HN 0.645 9.037 8.290 0.171 0.000 0.524 85 T N 5.822 120.400 114.554 0.041 0.000 2.597 85 T HA -0.461 nan 4.350 nan 0.000 0.267 85 T C 1.723 176.374 174.700 -0.083 0.000 1.053 85 T CA 4.854 66.952 62.100 -0.004 0.000 1.165 85 T CB -0.663 68.066 68.868 -0.233 0.000 0.863 85 T HN -0.053 8.282 8.240 0.160 0.000 0.427 86 A N 0.753 123.516 122.820 -0.094 0.000 1.883 86 A HA -0.323 nan 4.320 nan 0.000 0.217 86 A C 1.885 179.348 177.584 -0.203 0.000 1.186 86 A CA 3.159 55.090 52.037 -0.177 0.000 0.624 86 A CB -0.875 17.953 19.000 -0.285 0.000 0.822 86 A HN -0.207 8.392 8.150 0.004 -0.446 0.444 87 G N -2.843 105.835 108.800 -0.204 0.000 2.422 87 G HA2 -0.454 nan 3.960 nan 0.000 0.218 87 G HA3 -0.454 nan 3.960 nan 0.000 0.218 87 G C 0.472 175.315 174.900 -0.095 0.000 1.146 87 G CA 1.878 46.881 45.100 -0.162 0.000 0.769 87 G HN 0.076 8.262 8.290 -0.173 0.000 0.547 88 C N 2.763 122.027 119.300 -0.060 0.000 2.455 88 C HA -0.261 nan 4.460 nan 0.000 0.281 88 C C 2.023 177.020 174.990 0.011 0.000 1.237 88 C CA 4.013 63.059 59.018 0.046 0.000 1.726 88 C CB -1.253 26.628 27.740 0.236 0.000 2.068 88 C HN 0.067 8.142 8.230 -0.088 0.102 0.466 89 V N 1.372 121.311 119.914 0.042 0.000 2.439 89 V HA -0.551 nan 4.120 nan 0.000 0.253 89 V C 1.987 178.020 176.094 -0.102 0.000 1.074 89 V CA 4.437 66.709 62.300 -0.047 0.000 1.076 89 V CB -1.344 30.506 31.823 0.045 0.000 0.664 89 V HN 0.558 8.805 8.190 0.096 0.000 0.461 90 R N -0.261 120.183 120.500 -0.094 0.000 2.070 90 R HA -0.405 nan 4.340 nan 0.000 0.233 90 R C 1.824 178.066 176.300 -0.095 0.000 1.137 90 R CA 3.687 59.723 56.100 -0.107 0.000 0.945 90 R CB -0.200 30.023 30.300 -0.128 0.000 0.845 90 R HN 0.280 8.397 8.270 -0.092 0.098 0.430 91 A N -2.969 119.822 122.820 -0.048 0.000 2.014 91 A HA -0.111 nan 4.320 nan 0.000 0.218 91 A C 2.097 179.717 177.584 0.061 0.000 1.163 91 A CA 2.541 54.609 52.037 0.051 0.000 0.652 91 A CB -0.807 18.280 19.000 0.145 0.000 0.808 91 A HN 0.036 8.159 8.150 -0.045 0.000 0.449 92 G N -0.393 108.363 108.800 -0.074 0.000 2.480 92 G HA2 -0.385 nan 3.960 nan 0.000 0.216 92 G HA3 -0.385 nan 3.960 nan 0.000 0.216 92 G C 1.119 175.952 174.900 -0.112 0.000 1.200 92 G CA 2.071 47.068 45.100 -0.172 0.000 0.782 92 G HN 0.346 8.352 8.290 -0.098 0.224 0.554 93 I N 1.276 121.771 120.570 -0.124 0.000 2.202 93 I HA -0.512 nan 4.170 nan 0.000 0.242 93 I C 2.270 178.321 176.117 -0.109 0.000 1.091 93 I CA 3.854 65.095 61.300 -0.099 0.000 1.368 93 I CB -0.177 37.765 38.000 -0.098 0.000 1.058 93 I HN 0.149 8.274 8.210 -0.141 0.000 0.410 94 E N 0.804 120.905 120.200 -0.166 0.000 2.171 94 E HA -0.356 nan 4.350 nan 0.000 0.197 94 E C 1.465 177.841 176.600 -0.373 0.000 0.997 94 E CA 2.793 59.015 56.400 -0.297 0.000 0.810 94 E CB 0.025 29.474 29.700 -0.418 0.000 0.738 94 E HN 0.170 8.332 8.360 -0.150 0.108 0.467 95 H N -5.179 113.863 119.070 -0.047 0.000 2.594 95 H HA 0.191 nan 4.556 nan 0.000 0.279 95 H C -0.248 175.066 175.328 -0.024 0.000 1.042 95 H CA -0.540 55.487 56.048 -0.034 0.000 1.177 95 H CB 0.094 29.836 29.762 -0.034 0.000 1.524 95 H HN -0.525 7.697 8.280 -0.056 0.024 0.537 96 G N 0.715 109.547 108.800 0.053 0.000 2.350 96 G HA2 -0.377 nan 3.960 nan 0.000 0.298 96 G HA3 -0.377 nan 3.960 nan 0.000 0.298 96 G C -0.438 174.498 174.900 0.059 0.000 1.037 96 G CA 0.965 46.097 45.100 0.054 0.000 1.074 96 G HN -0.090 8.012 8.290 0.002 0.190 0.511 97 L N -2.977 118.264 121.223 0.030 0.000 2.664 97 L HA 0.104 nan 4.340 nan 0.000 0.233 97 L C 0.419 177.281 176.870 -0.014 0.000 1.113 97 L CA 0.256 55.099 54.840 0.006 0.000 0.896 97 L CB 0.692 42.741 42.059 -0.016 0.000 1.163 97 L HN 0.160 8.397 8.230 0.012 0.000 0.497 98 L N -4.383 116.832 121.223 -0.014 0.000 2.609 98 L HA 0.111 nan 4.340 nan 0.000 0.230 98 L C -0.495 176.435 176.870 0.101 0.000 1.087 98 L CA 0.093 54.925 54.840 -0.014 0.000 0.874 98 L CB 0.848 42.825 42.059 -0.137 0.000 1.114 98 L HN -0.817 7.364 8.230 0.001 0.050 0.488 99 Y N 0.380 120.664 120.300 -0.028 0.000 2.650 99 Y HA -0.256 nan 4.550 nan 0.000 0.342 99 Y C -0.262 175.637 175.900 -0.001 0.000 1.110 99 Y CA 0.837 58.931 58.100 -0.011 0.000 1.438 99 Y CB -1.091 37.361 38.460 -0.013 0.000 1.181 99 Y HN -0.419 7.974 8.280 0.188 0.000 0.526 100 N N 5.067 123.590 118.700 -0.295 0.000 2.735 100 N HA -0.298 nan 4.740 nan 0.000 0.248 100 N C -1.416 174.001 175.510 -0.154 0.000 1.083 100 N CA 1.143 53.995 53.050 -0.330 0.000 0.703 100 N CB -0.789 37.337 38.487 -0.602 0.000 1.005 100 N HN 0.372 8.720 8.380 -0.053 0.000 0.550 101 Q N -3.171 116.594 119.800 -0.060 0.000 2.544 101 Q HA 0.194 nan 4.340 nan 0.000 0.291 101 Q C -2.015 173.996 176.000 0.018 0.000 1.068 101 Q CA -1.612 54.177 55.803 -0.024 0.000 0.785 101 Q CB 3.519 32.250 28.738 -0.013 0.000 1.481 101 Q HN -0.911 7.335 8.270 -0.023 0.011 0.430 102 E N 0.540 120.751 120.200 0.019 0.000 2.183 102 E HA 0.132 nan 4.350 nan 0.000 0.271 102 E C -1.284 175.346 176.600 0.052 0.000 0.919 102 E CA -0.705 55.719 56.400 0.039 0.000 0.781 102 E CB 0.934 30.639 29.700 0.008 0.000 1.140 102 E HN 0.069 8.430 8.360 0.003 0.000 0.402 103 Q N 4.506 124.371 119.800 0.109 0.000 2.305 103 Q HA 0.382 nan 4.340 nan 0.000 0.271 103 Q C -2.112 173.975 176.000 0.146 0.000 1.046 103 Q CA -1.066 54.816 55.803 0.131 0.000 0.798 103 Q CB 4.236 33.088 28.738 0.190 0.000 1.286 103 Q HN 0.228 8.586 8.270 0.148 0.000 0.435 104 R N 3.010 123.546 120.500 0.060 0.000 2.502 104 R HA 0.864 nan 4.340 nan 0.000 0.300 104 R C -1.391 175.030 176.300 0.201 0.000 0.984 104 R CA -0.493 55.622 56.100 0.024 0.000 0.882 104 R CB 1.762 31.747 30.300 -0.524 0.000 1.180 104 R HN 0.537 8.825 8.270 0.029 0.000 0.444 105 L N -2.661 118.807 121.223 0.409 0.000 2.630 105 L HA 0.919 nan 4.340 nan 0.000 0.258 105 L C -2.297 174.794 176.870 0.369 0.000 1.072 105 L CA -1.598 53.466 54.840 0.373 0.000 0.885 105 L CB 3.653 45.825 42.059 0.189 0.000 1.502 105 L HN 0.660 9.137 8.230 0.411 0.000 0.406 106 W N -4.176 117.167 121.300 0.072 0.000 3.042 106 W HA 0.909 nan 4.660 nan 0.000 0.342 106 W C -2.958 173.528 176.519 -0.055 0.000 1.240 106 W CA -1.344 55.914 57.345 -0.144 0.000 1.166 106 W CB 2.828 32.225 29.460 -0.104 0.000 1.469 106 W HN 0.459 8.512 8.180 -0.212 0.000 0.579 107 Y N -6.997 113.412 120.300 0.182 0.000 2.571 107 Y HA 0.558 nan 4.550 nan 0.000 0.341 107 Y C -2.803 173.231 175.900 0.223 0.000 1.076 107 Y CA -1.976 56.133 58.100 0.014 0.000 1.029 107 Y CB 2.506 40.973 38.460 0.012 0.000 1.308 107 Y HN 0.846 8.893 8.280 -0.389 0.000 0.461 108 I N 1.364 122.164 120.570 0.383 0.000 2.571 108 I HA 0.592 nan 4.170 nan 0.000 0.289 108 I C -1.424 174.846 176.117 0.255 0.000 1.115 108 I CA -1.255 60.259 61.300 0.358 0.000 1.045 108 I CB 2.713 40.953 38.000 0.400 0.000 1.238 108 I HN 0.352 8.708 8.210 0.243 0.000 0.424 109 G N 6.427 115.366 108.800 0.231 0.000 2.341 109 G HA2 0.329 nan 3.960 nan 0.000 0.299 109 G HA3 0.329 nan 3.960 nan 0.000 0.299 109 G C -4.080 170.882 174.900 0.104 0.000 1.274 109 G CA 0.211 45.418 45.100 0.180 0.000 0.853 109 G HN 0.210 8.646 8.290 0.244 0.000 0.493 110 P HA 0.783 nan 4.420 nan 0.000 0.293 110 P C -1.685 175.300 177.300 -0.525 0.000 1.291 110 P CA -1.030 61.815 63.100 -0.425 0.000 0.867 110 P CB 1.605 33.017 31.700 -0.480 0.000 1.074 111 M N -0.268 118.755 119.600 -0.962 0.000 2.664 111 M HA 0.796 nan 4.480 nan 0.000 0.314 111 M C -1.324 174.470 176.300 -0.844 0.000 1.200 111 M CA -1.531 53.318 55.300 -0.751 0.000 0.916 111 M CB 4.289 36.234 32.600 -1.091 0.000 1.717 111 M HN 0.783 8.214 8.290 -1.252 0.108 0.470 112 F N 0.034 119.944 119.950 -0.067 0.000 2.529 112 F HA 0.642 nan 4.527 nan 0.000 0.320 112 F C -1.235 174.722 175.800 0.260 0.000 1.118 112 F CA -1.047 56.961 58.000 0.014 0.000 0.915 112 F CB 2.669 41.511 39.000 -0.264 0.000 1.161 112 F HN 0.807 9.152 8.300 0.271 0.118 0.445 113 R N 0.053 120.864 120.500 0.517 0.000 2.668 113 R HA 0.336 nan 4.340 nan 0.000 0.272 113 R C -1.566 175.048 176.300 0.523 0.000 1.019 113 R CA -1.418 54.977 56.100 0.491 0.000 0.894 113 R CB 4.519 34.997 30.300 0.296 0.000 1.228 113 R HN 0.310 8.832 8.270 0.420 0.000 0.460 114 H N 4.069 123.315 119.070 0.293 0.000 2.821 114 H HA 0.052 nan 4.556 nan 0.000 0.262 114 H C -1.304 174.054 175.328 0.051 0.000 1.402 114 H CA -0.180 55.930 56.048 0.104 0.000 1.293 114 H CB -0.092 29.547 29.762 -0.205 0.000 1.533 114 H HN 0.384 8.736 8.280 0.337 0.130 0.528 115 E N 3.385 123.616 120.200 0.052 0.000 2.393 115 E HA 0.180 nan 4.350 nan 0.000 0.265 115 E C -1.792 174.804 176.600 -0.007 0.000 0.941 115 E CA -2.222 54.200 56.400 0.036 0.000 0.801 115 E CB 3.575 33.269 29.700 -0.009 0.000 1.313 115 E HN -0.565 7.797 8.360 0.003 0.000 0.435 116 R N 1.309 121.800 120.500 -0.014 0.000 2.248 116 R HA 0.239 nan 4.340 nan 0.000 0.328 116 R C -2.010 174.240 176.300 -0.083 0.000 1.067 116 R CA -2.712 53.368 56.100 -0.032 0.000 0.924 116 R CB -0.439 29.847 30.300 -0.022 0.000 1.013 116 R HN 0.479 8.743 8.270 -0.011 0.000 0.454 117 P HA -0.098 nan 4.420 nan 0.000 0.262 117 P C -1.146 176.038 177.300 -0.194 0.000 1.199 117 P CA 0.512 63.501 63.100 -0.184 0.000 0.763 117 P CB 0.176 31.786 31.700 -0.149 0.000 0.790 118 Q N 3.877 123.513 119.800 -0.272 0.000 3.105 118 Q HA 0.192 nan 4.340 nan 0.000 0.280 118 Q C 0.008 175.852 176.000 -0.261 0.000 1.042 118 Q CA -2.189 53.491 55.803 -0.204 0.000 0.857 118 Q CB 1.305 29.956 28.738 -0.145 0.000 1.468 118 Q HN 0.205 8.255 8.270 -0.366 0.000 0.494 119 K N 0.545 120.867 120.400 -0.130 0.000 2.026 119 K HA -0.128 nan 4.320 nan 0.000 0.208 119 K C 1.059 177.651 176.600 -0.012 0.000 1.048 119 K CA 1.974 58.233 56.287 -0.047 0.000 0.929 119 K CB -0.075 32.428 32.500 0.006 0.000 0.713 119 K HN 0.468 8.663 8.250 -0.092 0.000 0.439 120 G N -3.993 104.789 108.800 -0.029 0.000 2.719 120 G HA2 0.149 nan 3.960 nan 0.000 0.211 120 G HA3 0.149 nan 3.960 nan 0.000 0.211 120 G C -0.696 174.219 174.900 0.025 0.000 1.140 120 G CA -0.181 44.981 45.100 0.104 0.000 0.790 120 G HN -0.352 7.902 8.290 -0.058 0.000 0.529 121 R N 1.270 121.616 120.500 -0.256 0.000 2.207 121 R HA 0.230 nan 4.340 nan 0.000 0.334 121 R C -1.131 174.867 176.300 -0.504 0.000 1.013 121 R CA -0.848 55.092 56.100 -0.268 0.000 0.858 121 R CB 0.468 30.652 30.300 -0.193 0.000 1.094 121 R HN -0.307 7.798 8.270 -0.275 0.000 0.457 122 Y N 3.258 123.529 120.300 -0.049 0.000 2.587 122 Y HA 0.287 nan 4.550 nan 0.000 0.337 122 Y C -0.155 175.753 175.900 0.013 0.000 1.065 122 Y CA -0.895 57.207 58.100 0.005 0.000 1.126 122 Y CB 2.265 40.766 38.460 0.068 0.000 1.279 122 Y HN 0.160 8.506 8.280 0.110 0.000 0.489 123 R N -2.478 118.123 120.500 0.168 0.000 2.100 123 R HA -0.047 nan 4.340 nan 0.000 0.220 123 R C 0.066 176.443 176.300 0.128 0.000 1.091 123 R CA 0.633 56.820 56.100 0.145 0.000 0.986 123 R CB 1.458 31.820 30.300 0.104 0.000 0.888 123 R HN 0.451 8.708 8.270 0.176 0.118 0.444 124 Q N -0.936 118.895 119.800 0.053 0.000 2.357 124 Q HA 0.403 nan 4.340 nan 0.000 0.266 124 Q C -1.733 174.208 176.000 -0.099 0.000 1.021 124 Q CA -0.857 54.787 55.803 -0.266 0.000 0.784 124 Q CB 2.251 30.795 28.738 -0.324 0.000 1.243 124 Q HN -0.739 7.603 8.270 0.119 0.000 0.465 125 F N 3.380 123.095 119.950 -0.393 0.000 2.611 125 F HA 0.555 nan 4.527 nan 0.000 0.324 125 F C -2.333 173.233 175.800 -0.391 0.000 1.061 125 F CA -3.160 54.706 58.000 -0.223 0.000 0.954 125 F CB 2.628 41.645 39.000 0.028 0.000 1.301 125 F HN 0.328 8.421 8.300 -0.345 0.000 0.482 126 H N -0.636 118.476 119.070 0.069 0.000 2.469 126 H HA 0.564 nan 4.556 nan 0.000 0.342 126 H C -0.988 174.385 175.328 0.075 0.000 1.115 126 H CA -0.888 55.165 56.048 0.009 0.000 1.204 126 H CB 2.014 31.894 29.762 0.196 0.000 1.492 126 H HN -0.527 8.427 8.280 0.373 -0.450 0.499 127 Q N 1.311 121.188 119.800 0.129 0.000 2.377 127 Q HA 0.782 nan 4.340 nan 0.000 0.271 127 Q C -2.479 173.660 176.000 0.232 0.000 1.077 127 Q CA -1.577 54.347 55.803 0.202 0.000 0.820 127 Q CB 4.317 33.182 28.738 0.211 0.000 1.347 127 Q HN 0.594 8.906 8.270 0.069 0.000 0.444 128 L N 2.255 123.599 121.223 0.202 0.000 2.349 128 L HA 0.840 nan 4.340 nan 0.000 0.278 128 L C -2.332 174.622 176.870 0.140 0.000 0.996 128 L CA -1.547 53.395 54.840 0.171 0.000 0.825 128 L CB 2.949 45.028 42.059 0.032 0.000 1.243 128 L HN 0.323 8.673 8.230 0.199 0.000 0.412 129 G N 3.839 112.590 108.800 -0.081 0.000 2.692 129 G HA2 0.639 nan 3.960 nan 0.000 0.291 129 G HA3 0.639 nan 3.960 nan 0.000 0.291 129 G C -3.121 171.341 174.900 -0.730 0.000 1.423 129 G CA -0.009 44.880 45.100 -0.352 0.000 0.843 129 G HN 0.639 8.850 8.290 -0.131 0.000 0.486 130 C N -2.595 116.248 119.300 -0.762 0.000 2.994 130 C HA 1.012 nan 4.460 nan 0.000 0.304 130 C C -1.961 172.843 174.990 -0.310 0.000 1.273 130 C CA -3.112 55.614 59.018 -0.486 0.000 1.537 130 C CB 3.766 31.299 27.740 -0.345 0.000 2.001 130 C HN 0.618 8.228 8.230 -1.033 0.000 0.471 131 E N -1.312 118.857 120.200 -0.053 0.000 2.331 131 E HA 0.684 nan 4.350 nan 0.000 0.275 131 E C -1.823 174.754 176.600 -0.038 0.000 0.895 131 E CA -1.421 54.955 56.400 -0.041 0.000 0.753 131 E CB 3.965 33.719 29.700 0.089 0.000 1.216 131 E HN 0.205 8.483 8.360 0.038 0.105 0.434 132 V N 1.307 121.075 119.914 -0.243 0.000 2.483 132 V HA 0.696 nan 4.120 nan 0.000 0.297 132 V C -1.655 174.201 176.094 -0.397 0.000 1.027 132 V CA -0.991 61.236 62.300 -0.121 0.000 0.855 132 V CB 1.449 33.284 31.823 0.020 0.000 0.995 132 V HN 0.649 8.635 8.190 -0.340 0.000 0.424 133 F N 4.750 124.702 119.950 0.004 0.000 2.469 133 F HA 0.629 nan 4.527 nan 0.000 0.332 133 F C 0.305 176.094 175.800 -0.018 0.000 1.103 133 F CA -1.815 56.167 58.000 -0.031 0.000 0.979 133 F CB 2.608 41.612 39.000 0.006 0.000 1.137 133 F HN 0.441 8.926 8.300 0.309 0.000 0.463 134 G N 1.968 110.849 108.800 0.134 0.000 2.253 134 G HA2 -0.344 nan 3.960 nan 0.000 0.209 134 G HA3 -0.344 nan 3.960 nan 0.000 0.209 134 G C -1.468 173.456 174.900 0.040 0.000 0.997 134 G CA 0.022 45.171 45.100 0.082 0.000 0.640 134 G HN 0.736 8.977 8.290 0.104 0.112 0.496 135 L N 1.566 122.802 121.223 0.020 0.000 2.276 135 L HA 0.170 nan 4.340 nan 0.000 0.286 135 L C -0.214 176.680 176.870 0.039 0.000 1.024 135 L CA -1.606 53.246 54.840 0.021 0.000 0.826 135 L CB -0.108 41.959 42.059 0.012 0.000 1.211 135 L HN -0.315 7.917 8.230 0.003 0.000 0.422 136 Q N 5.107 124.943 119.800 0.061 0.000 1.813 136 Q HA -0.262 nan 4.340 nan 0.000 0.261 136 Q C 1.260 177.380 176.000 0.200 0.000 0.975 136 Q CA 1.791 57.668 55.803 0.123 0.000 0.881 136 Q CB 0.193 28.996 28.738 0.109 0.000 0.924 136 Q HN 0.287 8.585 8.270 0.046 0.000 0.425 137 G N -1.468 107.378 108.800 0.076 0.000 2.863 137 G HA2 -0.229 nan 3.960 nan 0.000 0.225 137 G HA3 -0.229 nan 3.960 nan 0.000 0.225 137 G C -0.663 174.100 174.900 -0.229 0.000 1.152 137 G CA -1.101 43.916 45.100 -0.138 0.000 0.857 137 G HN 0.054 8.375 8.290 0.052 0.000 0.527 138 P HA -0.146 nan 4.420 nan 0.000 0.228 138 P C 0.160 177.388 177.300 -0.121 0.000 1.151 138 P CA 1.519 64.451 63.100 -0.279 0.000 0.770 138 P CB -0.098 31.397 31.700 -0.342 0.000 0.786 139 D N -0.604 119.725 120.400 -0.117 0.000 2.106 139 D HA -0.338 nan 4.640 nan 0.000 0.191 139 D C 1.687 177.963 176.300 -0.042 0.000 0.997 139 D CA 2.740 56.695 54.000 -0.075 0.000 0.834 139 D CB -1.334 39.429 40.800 -0.062 0.000 0.956 139 D HN 0.016 8.242 8.370 -0.147 0.055 0.448 140 I N -0.746 119.814 120.570 -0.017 0.000 2.454 140 I HA -0.351 nan 4.170 nan 0.000 0.254 140 I C 0.544 176.665 176.117 0.006 0.000 1.156 140 I CA 1.923 63.229 61.300 0.011 0.000 1.433 140 I CB -0.114 37.899 38.000 0.022 0.000 1.082 140 I HN -0.597 7.601 8.210 -0.019 0.000 0.432 141 D N 0.101 120.500 120.400 -0.002 0.000 2.084 141 D HA -0.314 nan 4.640 nan 0.000 0.196 141 D C 2.109 178.336 176.300 -0.122 0.000 0.985 141 D CA 3.420 57.399 54.000 -0.035 0.000 0.826 141 D CB -1.038 39.764 40.800 0.003 0.000 0.978 141 D HN -0.725 7.524 8.370 0.006 0.125 0.456 142 A N -0.068 122.686 122.820 -0.110 0.000 1.873 142 A HA -0.384 nan 4.320 nan 0.000 0.218 142 A C 1.795 179.311 177.584 -0.114 0.000 1.193 142 A CA 3.333 55.291 52.037 -0.133 0.000 0.629 142 A CB -0.952 17.979 19.000 -0.115 0.000 0.826 142 A HN 0.140 8.239 8.150 -0.085 0.000 0.447 143 E N -1.063 119.102 120.200 -0.059 0.000 2.070 143 E HA -0.390 nan 4.350 nan 0.000 0.197 143 E C 2.387 178.913 176.600 -0.124 0.000 1.004 143 E CA 3.115 59.504 56.400 -0.019 0.000 0.805 143 E CB -0.123 29.621 29.700 0.073 0.000 0.744 143 E HN -0.400 7.934 8.360 -0.043 0.000 0.451 144 L N -1.560 119.592 121.223 -0.118 0.000 2.012 144 L HA -0.397 nan 4.340 nan 0.000 0.210 144 L C 2.479 179.176 176.870 -0.288 0.000 1.073 144 L CA 3.091 57.842 54.840 -0.150 0.000 0.748 144 L CB -0.172 41.910 42.059 0.039 0.000 0.891 144 L HN -0.588 7.530 8.230 -0.066 0.072 0.431 145 I N -0.686 119.703 120.570 -0.302 0.000 2.127 145 I HA -0.607 nan 4.170 nan 0.000 0.241 145 I C 1.849 177.835 176.117 -0.219 0.000 1.075 145 I CA 4.131 65.293 61.300 -0.230 0.000 1.334 145 I CB -0.214 37.667 38.000 -0.199 0.000 1.040 145 I HN -0.215 7.822 8.210 -0.289 0.000 0.405 146 M N -0.914 118.563 119.600 -0.206 0.000 2.108 146 M HA -0.550 nan 4.480 nan 0.000 0.257 146 M C 2.385 178.461 176.300 -0.373 0.000 1.071 146 M CA 4.429 59.614 55.300 -0.192 0.000 1.093 146 M CB -0.184 32.374 32.600 -0.070 0.000 1.345 146 M HN 0.097 8.281 8.290 -0.177 0.000 0.403 147 L N -1.675 119.177 121.223 -0.618 0.000 2.017 147 L HA -0.439 nan 4.340 nan 0.000 0.208 147 L C 1.632 177.777 176.870 -1.209 0.000 1.073 147 L CA 3.493 57.672 54.840 -1.102 0.000 0.745 147 L CB -0.013 41.211 42.059 -1.391 0.000 0.894 147 L HN 0.404 8.115 8.230 -0.526 0.203 0.432 148 T N -3.256 110.634 114.554 -1.106 0.000 2.788 148 T HA -0.340 nan 4.350 nan 0.000 0.268 148 T C 1.772 175.364 174.700 -1.847 0.000 1.044 148 T CA 3.742 64.987 62.100 -1.426 0.000 1.139 148 T CB -0.688 67.492 68.868 -1.147 0.000 0.867 148 T HN -0.108 7.549 8.240 -0.835 0.082 0.454 149 A N 1.919 124.048 122.820 -1.152 0.000 2.015 149 A HA -0.223 nan 4.320 nan 0.000 0.219 149 A C 1.627 178.850 177.584 -0.601 0.000 1.163 149 A CA 2.756 54.256 52.037 -0.895 0.000 0.646 149 A CB -0.889 17.933 19.000 -0.297 0.000 0.806 149 A HN 0.214 7.821 8.150 -0.755 0.091 0.448 150 R N -0.821 119.363 120.500 -0.527 0.000 2.092 150 R HA -0.274 nan 4.340 nan 0.000 0.231 150 R C 1.846 178.019 176.300 -0.212 0.000 1.119 150 R CA 3.281 59.209 56.100 -0.286 0.000 0.970 150 R CB -0.042 30.134 30.300 -0.206 0.000 0.864 150 R HN -0.270 7.519 8.270 -0.612 0.114 0.440 151 W N -1.433 119.509 121.300 -0.596 0.000 2.358 151 W HA -0.251 nan 4.660 nan 0.000 0.303 151 W C 2.290 178.712 176.519 -0.162 0.000 1.208 151 W CA 2.612 59.667 57.345 -0.483 0.000 1.274 151 W CB -0.732 28.252 29.460 -0.793 0.000 1.138 151 W HN -0.474 7.150 8.180 -0.754 0.104 0.515 152 W N -3.451 117.827 121.300 -0.038 0.000 2.363 152 W HA -0.490 nan 4.660 nan 0.000 0.296 152 W C 2.262 178.756 176.519 -0.042 0.000 1.212 152 W CA 0.891 58.175 57.345 -0.102 0.000 1.260 152 W CB -0.391 28.944 29.460 -0.207 0.000 1.131 152 W HN -0.597 7.145 8.180 -0.731 0.000 0.530 153 R N -1.029 119.567 120.500 0.160 0.000 2.083 153 R HA -0.376 nan 4.340 nan 0.000 0.237 153 R C 2.743 179.103 176.300 0.100 0.000 1.137 153 R CA 3.091 59.249 56.100 0.098 0.000 0.951 153 R CB -0.265 30.054 30.300 0.033 0.000 0.851 153 R HN -0.484 7.818 8.270 0.068 0.009 0.434 154 A N -1.955 120.927 122.820 0.103 0.000 2.015 154 A HA -0.113 nan 4.320 nan 0.000 0.219 154 A C 1.341 179.003 177.584 0.128 0.000 1.163 154 A CA 2.416 54.518 52.037 0.108 0.000 0.646 154 A CB -0.270 18.800 19.000 0.117 0.000 0.806 154 A HN -0.091 8.040 8.150 0.096 0.077 0.448 155 L N -5.545 115.750 121.223 0.120 0.000 2.616 155 L HA 0.070 nan 4.340 nan 0.000 0.229 155 L C 0.895 177.807 176.870 0.069 0.000 1.110 155 L CA -0.079 54.802 54.840 0.068 0.000 0.884 155 L CB 0.729 42.757 42.059 -0.051 0.000 1.115 155 L HN -0.589 7.593 8.230 0.143 0.134 0.481 156 G N -0.365 108.497 108.800 0.104 0.000 2.136 156 G HA2 -0.331 nan 3.960 nan 0.000 0.242 156 G HA3 -0.331 nan 3.960 nan 0.000 0.242 156 G C 0.334 175.292 174.900 0.096 0.000 0.989 156 G CA 0.990 46.151 45.100 0.101 0.000 0.682 156 G HN -0.144 8.220 8.290 0.122 0.000 0.522 157 I N -8.316 112.305 120.570 0.084 0.000 3.914 157 I HA 0.322 nan 4.170 nan 0.000 0.333 157 I C 0.457 176.627 176.117 0.088 0.000 1.449 157 I CA -1.341 60.000 61.300 0.069 0.000 1.135 157 I CB 0.026 37.974 38.000 -0.086 0.000 1.073 157 I HN -0.478 7.753 8.210 0.099 0.039 0.401 158 S N 2.891 118.678 115.700 0.145 0.000 2.374 158 S HA -0.383 nan 4.470 nan 0.000 0.227 158 S C 1.139 175.789 174.600 0.084 0.000 1.037 158 S CA 3.855 62.153 58.200 0.164 0.000 1.024 158 S CB -0.311 62.990 63.200 0.168 0.000 0.861 158 S HN -0.345 7.981 8.310 0.154 0.077 0.456 159 E N -2.302 117.923 120.200 0.042 0.000 2.520 159 E HA -0.192 nan 4.350 nan 0.000 0.201 159 E C -0.314 176.027 176.600 -0.431 0.000 1.122 159 E CA 0.962 57.272 56.400 -0.150 0.000 0.896 159 E CB -0.616 28.972 29.700 -0.187 0.000 0.891 159 E HN 0.148 8.560 8.360 0.096 0.006 0.533 160 H N -2.970 116.080 119.070 -0.033 0.000 2.947 160 H HA 0.193 nan 4.556 nan 0.000 0.222 160 H C -1.750 173.503 175.328 -0.126 0.000 1.414 160 H CA -0.130 55.879 56.048 -0.066 0.000 1.224 160 H CB 0.235 29.947 29.762 -0.083 0.000 2.100 160 H HN -0.096 7.986 8.280 0.037 0.220 0.524 161 V N -4.447 115.472 119.914 0.010 0.000 2.851 161 V HA 0.438 nan 4.120 nan 0.000 0.290 161 V C -1.885 174.393 176.094 0.307 0.000 1.330 161 V CA -1.675 60.655 62.300 0.050 0.000 0.944 161 V CB 2.245 33.862 31.823 -0.345 0.000 1.090 161 V HN -0.613 7.603 8.190 0.044 0.000 0.436 162 T N 5.684 120.371 114.554 0.221 0.000 2.856 162 T HA 0.476 nan 4.350 nan 0.000 0.283 162 T C -1.840 172.743 174.700 -0.194 0.000 1.008 162 T CA -1.205 60.943 62.100 0.080 0.000 0.997 162 T CB 2.457 71.336 68.868 0.018 0.000 0.992 162 T HN 0.756 8.971 8.240 0.161 0.122 0.454 163 L N 4.250 125.194 121.223 -0.465 0.000 2.255 163 L HA 0.548 nan 4.340 nan 0.000 0.289 163 L C -1.886 174.814 176.870 -0.284 0.000 1.046 163 L CA -1.118 53.262 54.840 -0.767 0.000 0.816 163 L CB 0.892 42.342 42.059 -1.015 0.000 1.197 163 L HN 0.515 8.590 8.230 -0.259 0.000 0.427 164 E N 6.318 126.392 120.200 -0.209 0.000 2.231 164 E HA 0.706 nan 4.350 nan 0.000 0.277 164 E C -1.938 174.658 176.600 -0.008 0.000 0.999 164 E CA -0.941 55.407 56.400 -0.087 0.000 0.827 164 E CB 2.998 32.655 29.700 -0.071 0.000 1.101 164 E HN 0.536 8.738 8.360 -0.263 0.000 0.393 165 L N 1.792 123.045 121.223 0.049 0.000 2.376 165 L HA 0.770 nan 4.340 nan 0.000 0.258 165 L C -2.337 174.651 176.870 0.197 0.000 1.013 165 L CA -1.002 53.953 54.840 0.191 0.000 0.822 165 L CB 4.630 46.849 42.059 0.266 0.000 1.388 165 L HN 0.730 8.866 8.230 0.001 0.094 0.413 166 N N 0.296 119.135 118.700 0.231 0.000 3.171 166 N HA 0.135 nan 4.740 nan 0.000 0.239 166 N C -3.230 172.103 175.510 -0.296 0.000 1.275 166 N CA 0.772 53.768 53.050 -0.089 0.000 0.920 166 N CB 3.680 42.106 38.487 -0.101 0.000 1.554 166 N HN 0.476 9.052 8.380 0.325 0.000 0.504 167 S N 2.311 117.536 115.700 -0.790 0.000 2.498 167 S HA 0.496 nan 4.470 nan 0.000 0.317 167 S C -0.851 173.551 174.600 -0.329 0.000 1.090 167 S CA -1.927 55.945 58.200 -0.547 0.000 1.089 167 S CB 0.834 63.604 63.200 -0.716 0.000 0.997 167 S HN 0.217 7.940 8.310 -0.978 0.000 0.470 168 I N 8.963 129.437 120.570 -0.161 0.000 3.812 168 I HA 0.111 nan 4.170 nan 0.000 0.320 168 I C -0.663 175.405 176.117 -0.082 0.000 1.276 168 I CA -2.565 58.672 61.300 -0.105 0.000 1.164 168 I CB -0.421 37.573 38.000 -0.011 0.000 1.009 168 I HN 0.342 8.394 8.210 -0.097 0.099 0.431 169 G N -0.180 108.561 108.800 -0.097 0.000 2.611 169 G HA2 -0.432 nan 3.960 nan 0.000 0.301 169 G HA3 -0.432 nan 3.960 nan 0.000 0.301 169 G C -1.263 173.628 174.900 -0.016 0.000 1.233 169 G CA 0.604 45.665 45.100 -0.064 0.000 0.993 169 G HN -0.578 7.547 8.290 -0.132 0.086 0.553 170 S N -0.570 115.129 115.700 -0.001 0.000 2.667 170 S HA 0.297 nan 4.470 nan 0.000 0.292 170 S C 0.839 175.463 174.600 0.041 0.000 1.126 170 S CA -1.882 56.334 58.200 0.026 0.000 0.881 170 S CB 2.729 65.942 63.200 0.023 0.000 1.132 170 S HN -0.380 7.996 8.310 -0.011 -0.072 0.492 171 L N 3.570 124.824 121.223 0.053 0.000 1.978 171 L HA -0.359 nan 4.340 nan 0.000 0.218 171 L C 2.149 179.052 176.870 0.054 0.000 1.075 171 L CA 2.788 57.663 54.840 0.058 0.000 0.767 171 L CB -1.997 40.096 42.059 0.057 0.000 0.890 171 L HN 0.697 8.960 8.230 0.055 0.000 0.434 172 E N -1.758 118.470 120.200 0.046 0.000 2.035 172 E HA -0.465 nan 4.350 nan 0.000 0.204 172 E C 2.095 178.726 176.600 0.051 0.000 1.025 172 E CA 3.386 59.812 56.400 0.044 0.000 0.835 172 E CB -0.530 29.192 29.700 0.036 0.000 0.764 172 E HN 0.352 8.738 8.360 0.043 0.000 0.457 173 A N -1.733 121.114 122.820 0.044 0.000 1.927 173 A HA -0.344 nan 4.320 nan 0.000 0.220 173 A C 2.556 180.192 177.584 0.087 0.000 1.185 173 A CA 2.947 55.011 52.037 0.046 0.000 0.639 173 A CB -0.731 18.276 19.000 0.011 0.000 0.820 173 A HN -0.332 7.839 8.150 0.035 0.000 0.451 174 R N -1.715 118.840 120.500 0.092 0.000 2.057 174 R HA -0.286 nan 4.340 nan 0.000 0.229 174 R C 2.226 178.626 176.300 0.166 0.000 1.136 174 R CA 2.937 59.138 56.100 0.167 0.000 0.952 174 R CB 0.113 30.493 30.300 0.133 0.000 0.848 174 R HN 0.131 8.353 8.270 0.066 0.088 0.430 175 A N -1.826 121.054 122.820 0.100 0.000 2.093 175 A HA -0.290 nan 4.320 nan 0.000 0.222 175 A C 2.382 180.004 177.584 0.063 0.000 1.162 175 A CA 2.958 55.036 52.037 0.069 0.000 0.655 175 A CB -0.845 18.186 19.000 0.052 0.000 0.805 175 A HN 0.583 8.785 8.150 0.086 0.000 0.461 176 N N -2.093 116.658 118.700 0.084 0.000 2.336 176 N HA -0.089 nan 4.740 nan 0.000 0.177 176 N C 1.437 177.006 175.510 0.098 0.000 1.018 176 N CA 1.786 54.881 53.050 0.074 0.000 0.878 176 N CB -0.051 38.480 38.487 0.072 0.000 0.997 176 N HN -0.397 7.907 8.380 0.096 0.134 0.433 177 Y N 2.640 122.944 120.300 0.006 0.000 2.030 177 Y HA -0.481 nan 4.550 nan 0.000 0.274 177 Y C 1.762 177.668 175.900 0.010 0.000 1.153 177 Y CA 3.404 61.505 58.100 0.001 0.000 1.115 177 Y CB 0.046 38.502 38.460 -0.006 0.000 0.969 177 Y HN -0.074 8.156 8.280 0.243 0.196 0.488 178 R N -2.865 117.451 120.500 -0.306 0.000 2.103 178 R HA -0.496 nan 4.340 nan 0.000 0.242 178 R C 2.324 178.499 176.300 -0.207 0.000 1.142 178 R CA 3.661 59.549 56.100 -0.353 0.000 0.960 178 R CB -0.428 29.796 30.300 -0.127 0.000 0.858 178 R HN -0.109 8.161 8.270 -0.001 0.000 0.439 179 D N -1.591 118.750 120.400 -0.098 0.000 2.190 179 D HA -0.233 nan 4.640 nan 0.000 0.200 179 D C 1.493 177.761 176.300 -0.053 0.000 0.992 179 D CA 3.059 57.028 54.000 -0.051 0.000 0.854 179 D CB -0.640 40.151 40.800 -0.015 0.000 0.936 179 D HN -0.229 8.103 8.370 -0.062 0.000 0.462 180 A N -3.698 119.076 122.820 -0.078 0.000 2.238 180 A HA 0.051 nan 4.320 nan 0.000 0.210 180 A C 0.273 177.803 177.584 -0.090 0.000 1.179 180 A CA 1.001 53.010 52.037 -0.046 0.000 0.827 180 A CB -0.058 18.938 19.000 -0.007 0.000 0.856 180 A HN -0.388 7.581 8.150 -0.099 0.122 0.488 181 L N -1.316 119.763 121.223 -0.239 0.000 2.051 181 L HA -0.021 nan 4.340 nan 0.000 0.202 181 L C 1.390 178.265 176.870 0.007 0.000 1.097 181 L CA 2.643 57.335 54.840 -0.247 0.000 0.762 181 L CB 0.296 42.011 42.059 -0.573 0.000 0.913 181 L HN -0.491 7.341 8.230 -0.300 0.218 0.447 182 V N -0.215 119.666 119.914 -0.056 0.000 2.317 182 V HA -0.547 nan 4.120 nan 0.000 0.251 182 V C 1.718 177.818 176.094 0.009 0.000 1.065 182 V CA 4.288 66.581 62.300 -0.013 0.000 1.049 182 V CB -1.906 29.894 31.823 -0.039 0.000 0.651 182 V HN 0.423 8.429 8.190 -0.140 0.099 0.450 183 A N -0.956 121.871 122.820 0.013 0.000 1.997 183 A HA -0.305 nan 4.320 nan 0.000 0.221 183 A C 1.755 179.376 177.584 0.060 0.000 1.172 183 A CA 3.019 55.071 52.037 0.024 0.000 0.645 183 A CB -0.771 18.246 19.000 0.027 0.000 0.813 183 A HN -0.393 7.749 8.150 -0.010 0.002 0.454 184 F N -1.620 118.298 119.950 -0.053 0.000 2.317 184 F HA -0.101 nan 4.527 nan 0.000 0.293 184 F C 0.891 176.670 175.800 -0.036 0.000 1.085 184 F CA 1.961 59.938 58.000 -0.038 0.000 1.390 184 F CB 0.894 39.872 39.000 -0.038 0.000 1.077 184 F HN -0.201 8.068 8.300 0.218 0.162 0.517 185 L N 0.007 121.143 121.223 -0.145 0.000 2.043 185 L HA -0.501 nan 4.340 nan 0.000 0.212 185 L C 1.811 178.502 176.870 -0.299 0.000 1.075 185 L CA 3.034 57.711 54.840 -0.272 0.000 0.752 185 L CB -0.500 41.526 42.059 -0.055 0.000 0.891 185 L HN -0.023 8.069 8.230 0.126 0.213 0.432 186 E N -1.369 118.718 120.200 -0.188 0.000 2.012 186 E HA -0.343 nan 4.350 nan 0.000 0.197 186 E C 1.899 178.387 176.600 -0.187 0.000 1.007 186 E CA 2.193 58.507 56.400 -0.144 0.000 0.816 186 E CB -0.924 28.725 29.700 -0.085 0.000 0.762 186 E HN 0.046 8.323 8.360 -0.128 0.006 0.451 187 Q N -1.874 117.804 119.800 -0.202 0.000 2.197 187 Q HA -0.270 nan 4.340 nan 0.000 0.207 187 Q C 1.105 176.933 176.000 -0.287 0.000 0.984 187 Q CA 1.532 57.221 55.803 -0.189 0.000 0.869 187 Q CB -0.251 28.412 28.738 -0.125 0.000 0.906 187 Q HN -0.030 8.137 8.270 -0.172 0.000 0.426 224 A N 1.728 124.567 122.820 0.032 0.000 2.401 224 A HA 0.225 nan 4.320 nan 0.000 0.259 224 A C 0.372 177.870 177.584 -0.142 0.000 1.103 224 A CA -0.316 51.701 52.037 -0.032 0.000 0.789 224 A CB 1.207 20.170 19.000 -0.062 0.000 1.035 224 A HN -0.141 8.004 8.150 -0.008 0.000 0.491 225 L N -0.631 120.385 121.223 -0.345 0.000 2.554 225 L HA 0.034 nan 4.340 nan 0.000 0.226 225 L C 0.065 176.735 176.870 -0.333 0.000 1.137 225 L CA 0.803 55.279 54.840 -0.607 0.000 0.863 225 L CB -1.175 40.474 42.059 -0.683 0.000 0.985 225 L HN 0.510 8.588 8.230 -0.254 0.000 0.451 226 G N -3.276 105.394 108.800 -0.216 0.000 2.496 226 G HA2 -0.229 nan 3.960 nan 0.000 0.214 226 G HA3 -0.229 nan 3.960 nan 0.000 0.214 226 G C 0.909 175.740 174.900 -0.115 0.000 1.234 226 G CA 0.576 45.583 45.100 -0.156 0.000 0.807 226 G HN -0.376 7.740 8.290 -0.190 0.060 0.543 227 D N 3.639 123.990 120.400 -0.082 0.000 2.154 227 D HA -0.234 nan 4.640 nan 0.000 0.190 227 D C 1.273 177.552 176.300 -0.035 0.000 1.003 227 D CA 2.421 56.394 54.000 -0.044 0.000 0.849 227 D CB -0.959 39.826 40.800 -0.025 0.000 0.942 227 D HN 0.130 8.451 8.370 -0.081 0.000 0.446 228 Y N -2.533 117.740 120.300 -0.045 0.000 2.632 228 Y HA 0.009 nan 4.550 nan 0.000 0.301 228 Y C 0.113 175.989 175.900 -0.041 0.000 1.172 228 Y CA -0.259 57.837 58.100 -0.007 0.000 1.328 228 Y CB -0.142 38.370 38.460 0.086 0.000 1.016 228 Y HN -0.679 7.557 8.280 -0.074 0.000 0.529 229 L N -1.288 119.887 121.223 -0.080 0.000 2.472 229 L HA -0.097 nan 4.340 nan 0.000 0.260 229 L C -0.125 176.728 176.870 -0.028 0.000 1.209 229 L CA 0.028 54.824 54.840 -0.074 0.000 0.817 229 L CB 0.753 42.751 42.059 -0.102 0.000 1.106 229 L HN -0.279 7.684 8.230 -0.094 0.211 0.479 230 D N -0.502 119.888 120.400 -0.017 0.000 2.388 230 D HA -0.009 nan 4.640 nan 0.000 0.254 230 D C 0.290 176.600 176.300 0.017 0.000 1.111 230 D CA -1.269 52.734 54.000 0.005 0.000 0.993 230 D CB 1.407 42.215 40.800 0.012 0.000 1.118 230 D HN -0.396 7.957 8.370 -0.028 0.000 0.502 231 E N 0.138 120.355 120.200 0.027 0.000 2.015 231 E HA -0.294 nan 4.350 nan 0.000 0.191 231 E C 1.819 178.453 176.600 0.056 0.000 0.991 231 E CA 3.245 59.669 56.400 0.038 0.000 0.802 231 E CB -0.302 29.419 29.700 0.035 0.000 0.759 231 E HN 0.277 8.652 8.360 0.025 0.000 0.447 232 E N -2.931 117.303 120.200 0.056 0.000 2.219 232 E HA -0.274 nan 4.350 nan 0.000 0.198 232 E C 2.734 179.398 176.600 0.106 0.000 0.998 232 E CA 3.071 59.519 56.400 0.080 0.000 0.818 232 E CB -0.693 29.047 29.700 0.067 0.000 0.741 232 E HN 0.699 9.086 8.360 0.045 0.000 0.477 233 S N -0.347 115.394 115.700 0.068 0.000 2.446 233 S HA -0.043 nan 4.470 nan 0.000 0.225 233 S C 1.310 175.987 174.600 0.129 0.000 1.016 233 S CA 2.072 60.309 58.200 0.062 0.000 0.943 233 S CB -0.120 63.076 63.200 -0.008 0.000 0.786 233 S HN 0.018 8.327 8.310 0.045 0.028 0.508 234 R N 2.074 122.638 120.500 0.107 0.000 2.062 234 R HA -0.181 nan 4.340 nan 0.000 0.231 234 R C 1.466 177.887 176.300 0.201 0.000 1.136 234 R CA 2.171 58.355 56.100 0.139 0.000 0.948 234 R CB -0.997 29.352 30.300 0.081 0.000 0.845 234 R HN -0.508 7.710 8.270 0.075 0.097 0.430 235 E N -0.682 119.609 120.200 0.151 0.000 2.049 235 E HA -0.417 nan 4.350 nan 0.000 0.198 235 E C 2.105 178.801 176.600 0.161 0.000 1.007 235 E CA 3.639 60.116 56.400 0.128 0.000 0.809 235 E CB -0.224 29.536 29.700 0.100 0.000 0.749 235 E HN -0.154 8.279 8.360 0.122 0.000 0.450 236 H N -1.022 118.107 119.070 0.098 0.000 2.422 236 H HA -0.243 nan 4.556 nan 0.000 0.298 236 H C 2.381 177.795 175.328 0.144 0.000 1.098 236 H CA 3.281 59.388 56.048 0.100 0.000 1.315 236 H CB 0.266 30.090 29.762 0.103 0.000 1.382 236 H HN -0.543 7.916 8.280 0.298 0.000 0.523 237 F N -0.022 120.056 119.950 0.213 0.000 2.187 237 F HA -0.213 nan 4.527 nan 0.000 0.295 237 F C 0.670 176.528 175.800 0.097 0.000 1.091 237 F CA 2.049 60.140 58.000 0.152 0.000 1.308 237 F CB -0.014 39.046 39.000 0.099 0.000 1.030 237 F HN -0.681 7.756 8.300 0.454 0.135 0.487 238 A N -0.409 122.459 122.820 0.080 0.000 1.877 238 A HA -0.340 nan 4.320 nan 0.000 0.216 238 A C 2.042 179.570 177.584 -0.093 0.000 1.186 238 A CA 3.370 55.386 52.037 -0.036 0.000 0.620 238 A CB -1.008 18.022 19.000 0.050 0.000 0.822 238 A HN 0.495 8.782 8.150 0.228 0.000 0.443 239 G N -2.591 106.174 108.800 -0.059 0.000 2.475 239 G HA2 -0.344 nan 3.960 nan 0.000 0.220 239 G HA3 -0.344 nan 3.960 nan 0.000 0.220 239 G C 1.154 175.971 174.900 -0.140 0.000 1.125 239 G CA 1.931 46.974 45.100 -0.096 0.000 0.755 239 G HN 0.291 8.578 8.290 -0.006 0.000 0.565 240 L N 0.510 121.634 121.223 -0.164 0.000 2.095 240 L HA -0.037 nan 4.340 nan 0.000 0.204 240 L C 1.337 178.055 176.870 -0.253 0.000 1.080 240 L CA 2.704 57.430 54.840 -0.189 0.000 0.759 240 L CB -0.108 41.865 42.059 -0.143 0.000 0.914 240 L HN -0.724 7.282 8.230 -0.141 0.139 0.439 241 C N -0.852 118.263 119.300 -0.308 0.000 2.411 241 C HA -0.459 nan 4.460 nan 0.000 0.279 241 C C 2.281 177.135 174.990 -0.227 0.000 1.288 241 C CA 4.270 63.153 59.018 -0.226 0.000 1.764 241 C CB -1.997 25.662 27.740 -0.135 0.000 1.974 241 C HN 0.249 8.070 8.230 -0.368 0.188 0.498 242 K N -0.124 120.177 120.400 -0.166 0.000 2.007 242 K HA -0.264 nan 4.320 nan 0.000 0.206 242 K C 2.097 178.598 176.600 -0.164 0.000 1.047 242 K CA 3.287 59.493 56.287 -0.136 0.000 0.937 242 K CB -0.149 32.295 32.500 -0.092 0.000 0.718 242 K HN -0.025 8.113 8.250 -0.156 0.019 0.438 243 L N -1.549 119.578 121.223 -0.160 0.000 2.151 243 L HA -0.412 nan 4.340 nan 0.000 0.215 243 L C 2.617 179.378 176.870 -0.181 0.000 1.084 243 L CA 2.835 57.585 54.840 -0.150 0.000 0.764 243 L CB -0.641 41.334 42.059 -0.140 0.000 0.891 243 L HN -0.608 7.530 8.230 -0.154 0.000 0.435 244 L N -2.303 118.760 121.223 -0.267 0.000 2.127 244 L HA -0.274 nan 4.340 nan 0.000 0.203 244 L C 2.033 178.720 176.870 -0.305 0.000 1.080 244 L CA 3.126 57.773 54.840 -0.322 0.000 0.768 244 L CB -0.711 41.036 42.059 -0.521 0.000 0.924 244 L HN -0.371 7.657 8.230 -0.298 0.023 0.444 245 E N -0.342 119.661 120.200 -0.329 0.000 2.038 245 E HA -0.450 nan 4.350 nan 0.000 0.195 245 E C 2.934 179.454 176.600 -0.133 0.000 1.000 245 E CA 3.333 59.604 56.400 -0.214 0.000 0.803 245 E CB -0.298 29.316 29.700 -0.144 0.000 0.750 245 E HN -0.473 7.594 8.360 -0.369 0.072 0.448 246 S N 0.218 115.846 115.700 -0.120 0.000 2.359 246 S HA -0.260 nan 4.470 nan 0.000 0.224 246 S C 1.666 176.217 174.600 -0.082 0.000 1.035 246 S CA 2.782 60.930 58.200 -0.086 0.000 1.018 246 S CB 0.094 63.245 63.200 -0.081 0.000 0.876 246 S HN 0.157 8.385 8.310 -0.136 0.000 0.448 247 A N -0.963 121.798 122.820 -0.099 0.000 2.172 247 A HA -0.072 nan 4.320 nan 0.000 0.216 247 A C 0.094 177.639 177.584 -0.065 0.000 1.154 247 A CA 0.278 52.267 52.037 -0.080 0.000 0.701 247 A CB 0.158 19.106 19.000 -0.088 0.000 0.789 247 A HN -0.381 7.518 8.150 -0.124 0.178 0.465 248 G N -2.804 105.952 108.800 -0.073 0.000 2.149 248 G HA2 -0.393 nan 3.960 nan 0.000 0.235 248 G HA3 -0.393 nan 3.960 nan 0.000 0.235 248 G C -0.494 174.389 174.900 -0.029 0.000 1.018 248 G CA -0.126 44.947 45.100 -0.045 0.000 0.728 248 G HN -0.373 7.673 8.290 -0.096 0.187 0.508 249 I N 1.807 122.338 120.570 -0.064 0.000 2.307 249 I HA -0.050 nan 4.170 nan 0.000 0.289 249 I C -1.391 174.688 176.117 -0.062 0.000 1.021 249 I CA -0.464 60.824 61.300 -0.021 0.000 1.224 249 I CB 0.535 38.514 38.000 -0.035 0.000 1.376 249 I HN -0.302 7.811 8.210 -0.116 0.027 0.470 250 A N 9.739 132.587 122.820 0.045 0.000 2.350 250 A HA 0.198 nan 4.320 nan 0.000 0.293 250 A C -1.280 176.391 177.584 0.144 0.000 1.231 250 A CA -0.249 51.839 52.037 0.085 0.000 0.883 250 A CB 0.221 19.278 19.000 0.095 0.000 1.133 250 A HN 0.440 8.650 8.150 0.099 0.000 0.533 251 Y N 1.121 121.387 120.300 -0.057 0.000 2.631 251 Y HA 0.898 nan 4.550 nan 0.000 0.328 251 Y C -1.263 174.598 175.900 -0.065 0.000 1.118 251 Y CA -4.274 53.767 58.100 -0.098 0.000 1.206 251 Y CB 1.165 39.556 38.460 -0.115 0.000 1.337 251 Y HN -0.287 8.316 8.280 0.539 0.000 0.515 252 T N 2.377 116.883 114.554 -0.079 0.000 3.011 252 T HA 0.293 nan 4.350 nan 0.000 0.303 252 T C -1.815 172.764 174.700 -0.201 0.000 0.997 252 T CA 0.054 62.047 62.100 -0.178 0.000 1.007 252 T CB 2.025 70.845 68.868 -0.080 0.000 1.017 252 T HN 0.314 8.541 8.240 -0.020 0.000 0.443 253 V N 4.059 123.820 119.914 -0.255 0.000 2.408 253 V HA 0.194 nan 4.120 nan 0.000 0.267 253 V C -0.557 175.490 176.094 -0.078 0.000 1.047 253 V CA -0.388 61.839 62.300 -0.122 0.000 0.937 253 V CB -0.389 31.387 31.823 -0.079 0.000 0.999 253 V HN 0.348 8.347 8.190 -0.319 0.000 0.472 254 N N 7.771 126.438 118.700 -0.054 0.000 2.558 254 N HA 0.225 nan 4.740 nan 0.000 0.233 254 N C 0.767 176.239 175.510 -0.063 0.000 1.038 254 N CA -1.962 51.056 53.050 -0.054 0.000 0.934 254 N CB 0.717 39.177 38.487 -0.046 0.000 1.175 254 N HN 0.024 8.383 8.380 -0.034 0.000 0.512 255 Q N 4.757 124.516 119.800 -0.069 0.000 2.308 255 Q HA -0.398 nan 4.340 nan 0.000 0.209 255 Q C 0.740 176.688 176.000 -0.087 0.000 0.985 255 Q CA 2.772 58.521 55.803 -0.091 0.000 0.881 255 Q CB -0.244 28.446 28.738 -0.079 0.000 0.917 255 Q HN 0.227 8.460 8.270 -0.062 0.000 0.443 256 R N -4.132 116.333 120.500 -0.058 0.000 2.427 256 R HA 0.130 nan 4.340 nan 0.000 0.262 256 R C -0.073 176.206 176.300 -0.036 0.000 0.943 256 R CA -1.161 54.916 56.100 -0.037 0.000 1.081 256 R CB -0.194 30.096 30.300 -0.017 0.000 1.166 256 R HN -0.585 7.880 8.270 -0.051 -0.226 0.534 257 L N 2.568 123.759 121.223 -0.053 0.000 2.325 257 L HA 0.086 nan 4.340 nan 0.000 0.284 257 L C -1.642 175.194 176.870 -0.056 0.000 1.089 257 L CA 0.460 55.269 54.840 -0.051 0.000 0.836 257 L CB 0.406 42.433 42.059 -0.053 0.000 1.184 257 L HN 0.007 8.027 8.230 -0.066 0.170 0.444 258 V N 3.423 123.315 119.914 -0.037 0.000 2.876 258 V HA 0.289 nan 4.120 nan 0.000 0.312 258 V C -1.153 174.927 176.094 -0.022 0.000 1.085 258 V CA -1.528 60.760 62.300 -0.021 0.000 0.945 258 V CB 3.063 34.898 31.823 0.019 0.000 1.017 258 V HN 0.097 8.271 8.190 -0.027 0.000 0.428 259 R N 3.684 124.174 120.500 -0.016 0.000 2.527 259 R HA 0.311 nan 4.340 nan 0.000 0.243 259 R C 1.218 177.570 176.300 0.088 0.000 1.206 259 R CA -0.624 55.472 56.100 -0.006 0.000 1.134 259 R CB 1.346 31.539 30.300 -0.178 0.000 1.347 259 R HN 0.356 8.633 8.270 0.011 0.000 0.580 260 G N -1.298 107.565 108.800 0.104 0.000 2.813 260 G HA2 0.049 nan 3.960 nan 0.000 0.209 260 G HA3 0.049 nan 3.960 nan 0.000 0.209 260 G C -0.091 174.828 174.900 0.031 0.000 1.150 260 G CA -0.087 45.055 45.100 0.070 0.000 0.785 260 G HN 0.212 8.567 8.290 0.107 0.000 0.535 261 L N -0.900 120.339 121.223 0.027 0.000 2.334 261 L HA 0.220 nan 4.340 nan 0.000 0.276 261 L C -0.440 176.225 176.870 -0.341 0.000 1.014 261 L CA -1.207 53.431 54.840 -0.335 0.000 0.815 261 L CB 0.949 42.444 42.059 -0.940 0.000 1.268 261 L HN -0.840 7.486 8.230 0.253 0.056 0.428 262 D N 3.810 124.029 120.400 -0.302 0.000 2.352 262 D HA -0.097 nan 4.640 nan 0.000 0.232 262 D C -0.203 176.057 176.300 -0.067 0.000 1.055 262 D CA 1.955 55.882 54.000 -0.122 0.000 0.891 262 D CB -0.047 40.727 40.800 -0.044 0.000 0.897 262 D HN 0.567 8.757 8.370 -0.301 0.000 0.529 263 Y N -6.536 113.663 120.300 -0.168 0.000 2.458 263 Y HA 0.156 nan 4.550 nan 0.000 0.254 263 Y C -0.664 175.170 175.900 -0.111 0.000 1.120 263 Y CA -3.160 54.841 58.100 -0.165 0.000 1.282 263 Y CB -0.785 37.531 38.460 -0.240 0.000 1.109 263 Y HN -0.563 7.114 8.280 -0.865 0.084 0.526 264 Y N -0.651 119.918 120.300 0.449 0.000 2.511 264 Y HA -0.280 nan 4.550 nan 0.000 0.347 264 Y C -0.624 175.412 175.900 0.226 0.000 1.257 264 Y CA 1.589 59.904 58.100 0.359 0.000 1.469 264 Y CB 0.289 38.891 38.460 0.236 0.000 1.353 264 Y HN -1.046 7.135 8.280 -0.164 0.000 0.617 265 N N 0.222 119.145 118.700 0.372 0.000 3.481 265 N HA -0.025 nan 4.740 nan 0.000 0.239 265 N C -0.551 175.026 175.510 0.111 0.000 1.127 265 N CA 0.003 53.172 53.050 0.198 0.000 1.180 265 N CB 1.562 40.145 38.487 0.160 0.000 1.225 265 N HN 0.317 8.969 8.380 0.453 0.000 0.857 266 R N -1.528 119.021 120.500 0.081 0.000 2.049 266 R HA 0.180 nan 4.340 nan 0.000 0.202 266 R C -0.711 175.639 176.300 0.083 0.000 1.306 266 R CA 1.540 57.650 56.100 0.017 0.000 1.107 266 R CB 1.155 31.394 30.300 -0.102 0.000 0.996 266 R HN 0.149 8.480 8.270 0.102 0.000 0.469 267 T N 2.184 116.844 114.554 0.176 0.000 2.870 267 T HA 0.316 nan 4.350 nan 0.000 0.300 267 T C -1.063 173.794 174.700 0.262 0.000 0.989 267 T CA 1.911 64.183 62.100 0.288 0.000 1.139 267 T CB -0.175 68.888 68.868 0.326 0.000 0.920 267 T HN -0.422 7.905 8.240 0.145 0.000 0.537 268 V N 0.320 120.375 119.914 0.234 0.000 2.612 268 V HA 1.038 nan 4.120 nan 0.000 0.301 268 V C -2.584 173.623 176.094 0.187 0.000 1.059 268 V CA -2.240 60.113 62.300 0.089 0.000 0.886 268 V CB 1.384 33.159 31.823 -0.080 0.000 1.007 268 V HN 0.823 9.173 8.190 0.268 0.000 0.426 269 F N 1.432 121.369 119.950 -0.023 0.000 2.664 269 F HA 1.057 nan 4.527 nan 0.000 0.317 269 F C -2.960 172.816 175.800 -0.042 0.000 1.108 269 F CA -2.129 55.851 58.000 -0.033 0.000 0.957 269 F CB 3.628 42.617 39.000 -0.018 0.000 1.365 269 F HN 0.643 8.850 8.300 -0.155 0.000 0.475 270 E N -4.493 115.597 120.200 -0.183 0.000 2.375 270 E HA 0.487 nan 4.350 nan 0.000 0.280 270 E C -2.223 174.304 176.600 -0.121 0.000 0.972 270 E CA -0.897 55.390 56.400 -0.189 0.000 0.782 270 E CB 3.335 32.959 29.700 -0.127 0.000 1.229 270 E HN 0.483 8.828 8.360 -0.026 0.000 0.439 271 W N 1.060 122.420 121.300 0.100 0.000 2.278 271 W HA 0.394 nan 4.660 nan 0.000 0.317 271 W C -0.875 175.641 176.519 -0.004 0.000 1.030 271 W CA -0.715 56.704 57.345 0.124 0.000 1.334 271 W CB 1.382 31.011 29.460 0.282 0.000 1.215 271 W HN 0.957 9.177 8.180 0.256 0.114 0.405 272 V N 0.506 120.505 119.914 0.143 0.000 2.667 272 V HA 0.875 nan 4.120 nan 0.000 0.308 272 V C -2.167 173.950 176.094 0.039 0.000 1.048 272 V CA -3.496 58.840 62.300 0.061 0.000 0.928 272 V CB 2.640 34.475 31.823 0.020 0.000 1.004 272 V HN 0.813 9.062 8.190 0.099 0.000 0.444 273 T N 6.235 120.792 114.554 0.005 0.000 2.893 273 T HA 0.493 nan 4.350 nan 0.000 0.324 273 T C 0.311 175.018 174.700 0.012 0.000 1.082 273 T CA -1.675 60.425 62.100 0.000 0.000 0.983 273 T CB 0.419 69.262 68.868 -0.042 0.000 1.005 273 T HN 0.537 8.672 8.240 0.002 0.106 0.475 274 N N 7.362 126.076 118.700 0.024 0.000 2.132 274 N HA -0.315 nan 4.740 nan 0.000 0.191 274 N C 0.903 176.424 175.510 0.019 0.000 1.015 274 N CA 2.742 55.804 53.050 0.020 0.000 0.864 274 N CB -0.386 38.114 38.487 0.022 0.000 1.006 274 N HN 0.609 9.008 8.380 0.031 0.000 0.430 275 S N 1.678 117.395 115.700 0.029 0.000 3.593 275 S HA -0.092 nan 4.470 nan 0.000 0.224 275 S C -0.015 174.585 174.600 0.000 0.000 1.333 275 S CA -1.373 56.837 58.200 0.016 0.000 1.164 275 S CB -1.243 61.968 63.200 0.019 0.000 1.281 275 S HN -0.355 7.968 8.310 0.047 0.014 0.457 276 L N 2.907 124.132 121.223 0.003 0.000 5.090 276 L HA -0.352 nan 4.340 nan 0.000 0.471 276 L C 0.625 177.495 176.870 0.001 0.000 1.241 276 L CA 0.876 55.717 54.840 0.001 0.000 0.601 276 L CB -0.908 41.152 42.059 0.002 0.000 1.240 276 L HN 0.307 8.435 8.230 0.006 0.106 0.641 277 G N -0.127 108.668 108.800 -0.008 0.000 3.316 277 G HA2 -0.063 nan 3.960 nan 0.000 0.255 277 G HA3 -0.063 nan 3.960 nan 0.000 0.255 277 G C -1.373 173.537 174.900 0.017 0.000 0.880 277 G CA 0.116 45.209 45.100 -0.011 0.000 1.956 277 G HN 0.360 8.644 8.290 -0.014 -0.002 0.634 278 S N 3.551 119.272 115.700 0.035 0.000 6.683 278 S HA -0.213 nan 4.470 nan 0.000 0.089 278 S C -0.867 173.750 174.600 0.030 0.000 1.545 278 S CA 1.215 59.454 58.200 0.065 0.000 1.870 278 S CB -0.855 nan 63.200 nan 0.000 0.602 278 S HN 0.029 8.260 8.310 0.025 0.094 0.522 279 Q N 1.940 121.753 119.800 0.020 0.000 2.036 279 Q HA 0.124 nan 4.340 nan 0.000 0.208 279 Q C 0.143 176.145 176.000 0.003 0.000 0.770 279 Q CA -0.101 55.704 55.803 0.002 0.000 0.992 279 Q CB 1.292 30.024 28.738 -0.010 0.000 1.209 279 Q HN 0.251 8.538 8.270 0.028 0.000 0.445 280 G N -0.971 107.833 108.800 0.007 0.000 2.659 280 G HA2 -0.306 nan 3.960 nan 0.000 0.212 280 G HA3 -0.306 nan 3.960 nan 0.000 0.212 280 G C -0.877 174.031 174.900 0.012 0.000 1.226 280 G CA 0.104 45.208 45.100 0.006 0.000 0.739 280 G HN 0.031 8.327 8.290 0.010 0.000 0.528 281 T N -1.595 112.972 114.554 0.021 0.000 2.845 281 T HA 0.566 nan 4.350 nan 0.000 0.288 281 T C 0.172 174.907 174.700 0.059 0.000 0.980 281 T CA -0.542 61.583 62.100 0.042 0.000 1.071 281 T CB 0.953 69.843 68.868 0.037 0.000 0.941 281 T HN -0.669 7.530 8.240 0.017 0.051 0.487 282 V N 1.901 121.862 119.914 0.078 0.000 3.212 282 V HA 0.365 nan 4.120 nan 0.000 0.244 282 V C -1.129 175.077 176.094 0.186 0.000 1.151 282 V CA 1.186 63.533 62.300 0.079 0.000 1.119 282 V CB 1.381 33.178 31.823 -0.043 0.000 0.838 282 V HN 0.557 8.806 8.190 0.098 0.000 0.470 283 C N -1.002 118.456 119.300 0.264 0.000 2.535 283 C HA 0.785 nan 4.460 nan 0.000 0.319 283 C C -2.571 172.551 174.990 0.220 0.000 1.171 283 C CA -1.520 57.714 59.018 0.360 0.000 1.394 283 C CB 2.132 30.198 27.740 0.545 0.000 1.990 283 C HN -0.616 7.764 8.230 0.249 0.000 0.466 284 A N 6.192 129.098 122.820 0.142 0.000 2.594 284 A HA 0.956 nan 4.320 nan 0.000 0.295 284 A C -2.632 174.872 177.584 -0.133 0.000 1.071 284 A CA -1.017 50.934 52.037 -0.144 0.000 0.685 284 A CB 3.430 22.389 19.000 -0.068 0.000 1.285 284 A HN 0.727 9.049 8.150 0.286 0.000 0.405 285 G N -2.251 106.240 108.800 -0.514 0.000 2.341 285 G HA2 0.616 nan 3.960 nan 0.000 0.299 285 G HA3 0.616 nan 3.960 nan 0.000 0.299 285 G C -2.736 172.003 174.900 -0.268 0.000 1.274 285 G CA 0.785 45.801 45.100 -0.141 0.000 0.853 285 G HN 0.395 8.171 8.290 -0.856 0.000 0.493 286 G N -3.375 105.607 108.800 0.305 0.000 2.321 286 G HA2 0.359 nan 3.960 nan 0.000 0.296 286 G HA3 0.359 nan 3.960 nan 0.000 0.296 286 G C -2.309 172.972 174.900 0.636 0.000 1.287 286 G CA 0.441 45.773 45.100 0.387 0.000 0.846 286 G HN -0.375 8.263 8.290 0.581 0.000 0.508 287 R N 1.251 122.057 120.500 0.510 0.000 2.954 287 R HA 0.245 nan 4.340 nan 0.000 0.276 287 R C -0.756 175.888 176.300 0.572 0.000 1.218 287 R CA 0.692 57.025 56.100 0.388 0.000 1.149 287 R CB 1.350 31.778 30.300 0.214 0.000 1.112 287 R HN 0.476 8.895 8.270 0.410 0.097 0.577 288 Y N -7.558 112.835 120.300 0.154 0.000 3.501 288 Y HA 0.041 nan 4.550 nan 0.000 0.177 288 Y C -1.253 174.678 175.900 0.053 0.000 0.533 288 Y CA -0.896 57.257 58.100 0.089 0.000 1.060 288 Y CB -0.941 37.480 38.460 -0.066 0.000 1.117 288 Y HN -0.183 8.164 8.280 0.111 0.000 0.560 289 D N 4.350 124.812 120.400 0.103 0.000 2.103 289 D HA -0.306 nan 4.640 nan 0.000 0.190 289 D C 2.192 178.557 176.300 0.109 0.000 0.997 289 D CA 3.285 57.317 54.000 0.052 0.000 0.833 289 D CB -0.685 40.139 40.800 0.039 0.000 0.961 289 D HN 0.127 8.566 8.370 0.116 0.000 0.447 290 G N -1.475 107.400 108.800 0.127 0.000 2.559 290 G HA2 -0.196 nan 3.960 nan 0.000 0.216 290 G HA3 -0.196 nan 3.960 nan 0.000 0.216 290 G C 0.764 175.742 174.900 0.130 0.000 1.126 290 G CA 0.797 45.967 45.100 0.117 0.000 0.778 290 G HN 0.240 8.607 8.290 0.129 0.000 0.543 291 L N 1.654 122.986 121.223 0.181 0.000 2.191 291 L HA -0.304 nan 4.340 nan 0.000 0.212 291 L C 1.336 178.281 176.870 0.125 0.000 1.103 291 L CA 2.627 57.557 54.840 0.149 0.000 0.769 291 L CB 0.142 42.267 42.059 0.110 0.000 0.908 291 L HN -0.668 7.660 8.230 0.238 0.044 0.438 292 V N -5.845 114.162 119.914 0.156 0.000 2.427 292 V HA -0.389 nan 4.120 nan 0.000 0.248 292 V C 1.234 177.357 176.094 0.048 0.000 1.051 292 V CA 3.490 65.852 62.300 0.103 0.000 1.048 292 V CB -1.099 30.797 31.823 0.122 0.000 0.666 292 V HN -0.456 7.818 8.190 0.192 0.030 0.456 293 E N 0.374 120.606 120.200 0.054 0.000 2.076 293 E HA -0.373 nan 4.350 nan 0.000 0.190 293 E C 2.390 179.001 176.600 0.019 0.000 0.979 293 E CA 2.253 58.668 56.400 0.025 0.000 0.807 293 E CB -0.863 28.855 29.700 0.030 0.000 0.761 293 E HN -0.530 7.876 8.360 0.077 0.000 0.454 294 Q N 1.756 121.578 119.800 0.036 0.000 2.029 294 Q HA -0.334 nan 4.340 nan 0.000 0.209 294 Q C 2.071 178.077 176.000 0.010 0.000 0.999 294 Q CA 2.967 58.788 55.803 0.030 0.000 0.857 294 Q CB 0.010 28.779 28.738 0.051 0.000 0.926 294 Q HN -0.227 8.076 8.270 0.055 0.000 0.415 295 L N -5.624 115.601 121.223 0.004 0.000 2.700 295 L HA -0.214 nan 4.340 nan 0.000 0.240 295 L C 0.296 177.145 176.870 -0.034 0.000 1.162 295 L CA 0.413 55.239 54.840 -0.023 0.000 0.874 295 L CB -0.564 41.472 42.059 -0.038 0.000 1.001 295 L HN -0.359 7.881 8.230 0.018 0.000 0.447 296 G N -3.270 105.514 108.800 -0.027 0.000 2.131 296 G HA2 -0.234 nan 3.960 nan 0.000 0.201 296 G HA3 -0.234 nan 3.960 nan 0.000 0.201 296 G C -0.380 174.487 174.900 -0.056 0.000 1.000 296 G CA -0.242 44.834 45.100 -0.040 0.000 0.680 296 G HN -0.087 7.940 8.290 -0.014 0.255 0.514 297 G N -1.200 107.570 108.800 -0.049 0.000 3.108 297 G HA2 0.284 nan 3.960 nan 0.000 0.268 297 G HA3 0.284 nan 3.960 nan 0.000 0.268 297 G C -1.920 172.940 174.900 -0.067 0.000 1.361 297 G CA -1.258 43.799 45.100 -0.072 0.000 1.047 297 G HN -0.150 8.122 8.290 -0.029 0.000 0.540 298 R N -1.139 119.306 120.500 -0.092 0.000 2.441 298 R HA 0.043 nan 4.340 nan 0.000 0.284 298 R C -0.298 176.030 176.300 0.047 0.000 1.070 298 R CA -1.632 54.435 56.100 -0.054 0.000 1.047 298 R CB 0.408 30.634 30.300 -0.124 0.000 1.016 298 R HN 0.099 8.296 8.270 -0.122 0.000 0.477 299 A N 3.871 126.726 122.820 0.059 0.000 2.546 299 A HA -0.039 nan 4.320 nan 0.000 0.243 299 A C -1.108 176.541 177.584 0.107 0.000 1.063 299 A CA 0.717 52.802 52.037 0.079 0.000 0.757 299 A CB 0.705 19.746 19.000 0.068 0.000 0.991 299 A HN 0.334 8.509 8.150 0.041 0.000 0.503 300 T N 4.531 119.150 114.554 0.109 0.000 2.942 300 T HA 0.311 nan 4.350 nan 0.000 0.327 300 T C -3.362 171.397 174.700 0.097 0.000 1.360 300 T CA -0.978 61.192 62.100 0.116 0.000 1.055 300 T CB 2.515 71.472 68.868 0.149 0.000 1.261 300 T HN 0.071 8.374 8.240 0.105 0.000 0.485 301 P HA 0.495 nan 4.420 nan 0.000 0.278 301 P C -2.343 174.894 177.300 -0.106 0.000 1.258 301 P CA -1.046 62.052 63.100 -0.003 0.000 0.811 301 P CB 0.962 32.669 31.700 0.012 0.000 1.063 302 A N -2.248 120.372 122.820 -0.333 0.000 2.601 302 A HA 0.880 nan 4.320 nan 0.000 0.291 302 A C -2.706 174.347 177.584 -0.885 0.000 1.075 302 A CA -0.360 51.202 52.037 -0.791 0.000 0.671 302 A CB 3.134 21.369 19.000 -1.275 0.000 1.277 302 A HN -0.192 8.045 8.150 -0.267 -0.247 0.417 303 V N -7.882 111.555 119.914 -0.796 0.000 3.167 303 V HA 0.739 nan 4.120 nan 0.000 0.293 303 V C -2.040 174.076 176.094 0.037 0.000 1.379 303 V CA -1.832 60.356 62.300 -0.185 0.000 1.019 303 V CB 3.516 35.352 31.823 0.023 0.000 1.115 303 V HN 0.134 7.805 8.190 -0.865 0.000 0.442 304 G N -0.188 108.841 108.800 0.382 0.000 2.489 304 G HA2 0.934 nan 3.960 nan 0.000 0.305 304 G HA3 0.934 nan 3.960 nan 0.000 0.305 304 G C -3.456 171.723 174.900 0.465 0.000 1.311 304 G CA 0.557 45.834 45.100 0.295 0.000 0.813 304 G HN -0.182 8.426 8.290 0.530 0.000 0.480 305 F N -5.411 114.738 119.950 0.331 0.000 2.741 305 F HA 0.912 nan 4.527 nan 0.000 0.311 305 F C -3.275 172.683 175.800 0.262 0.000 1.149 305 F CA -1.944 56.236 58.000 0.299 0.000 0.930 305 F CB 2.726 41.957 39.000 0.385 0.000 1.312 305 F HN 0.401 8.515 8.300 -0.310 0.000 0.450 306 A N -1.975 121.128 122.820 0.471 0.000 2.549 306 A HA 0.879 nan 4.320 nan 0.000 0.297 306 A C -3.058 174.826 177.584 0.499 0.000 1.061 306 A CA -0.703 51.567 52.037 0.388 0.000 0.690 306 A CB 3.498 22.723 19.000 0.375 0.000 1.287 306 A HN 0.600 9.084 8.150 0.557 0.000 0.402 307 M N 1.712 121.570 119.600 0.430 0.000 2.395 307 M HA 0.699 nan 4.480 nan 0.000 0.307 307 M C -1.244 175.214 176.300 0.263 0.000 1.091 307 M CA -1.720 53.793 55.300 0.356 0.000 0.919 307 M CB 4.479 37.295 32.600 0.359 0.000 1.662 307 M HN 0.921 9.322 8.290 0.364 0.108 0.440 308 G N 3.785 112.728 108.800 0.238 0.000 2.396 308 G HA2 0.237 nan 3.960 nan 0.000 0.292 308 G HA3 0.237 nan 3.960 nan 0.000 0.292 308 G C -0.579 174.391 174.900 0.116 0.000 1.106 308 G CA -0.307 44.940 45.100 0.244 0.000 1.055 308 G HN 0.891 9.315 8.290 0.224 0.000 0.424 309 L N 5.675 126.947 121.223 0.081 0.000 2.127 309 L HA -0.530 nan 4.340 nan 0.000 0.211 309 L C 1.891 178.625 176.870 -0.227 0.000 1.089 309 L CA 3.486 58.219 54.840 -0.177 0.000 0.757 309 L CB -0.240 41.661 42.059 -0.263 0.000 0.899 309 L HN 0.098 8.432 8.230 0.174 0.000 0.434 310 E N -1.398 118.881 120.200 0.132 0.000 2.046 310 E HA -0.315 nan 4.350 nan 0.000 0.190 310 E C 2.481 179.143 176.600 0.103 0.000 0.982 310 E CA 3.555 60.100 56.400 0.243 0.000 0.800 310 E CB -1.046 28.796 29.700 0.236 0.000 0.756 310 E HN -0.012 8.481 8.360 0.255 0.020 0.449 311 R N -0.526 120.035 120.500 0.100 0.000 2.083 311 R HA -0.301 nan 4.340 nan 0.000 0.237 311 R C 2.439 178.708 176.300 -0.051 0.000 1.137 311 R CA 3.116 59.248 56.100 0.055 0.000 0.951 311 R CB -0.221 30.119 30.300 0.068 0.000 0.851 311 R HN -0.356 8.000 8.270 0.143 0.000 0.434 312 L N -0.319 120.838 121.223 -0.109 0.000 1.943 312 L HA -0.343 nan 4.340 nan 0.000 0.215 312 L C 1.674 178.385 176.870 -0.265 0.000 1.074 312 L CA 3.540 58.254 54.840 -0.209 0.000 0.759 312 L CB -0.419 41.488 42.059 -0.253 0.000 0.888 312 L HN 0.119 8.306 8.230 -0.072 0.000 0.433 313 V N -1.474 118.225 119.914 -0.357 0.000 2.439 313 V HA -0.516 nan 4.120 nan 0.000 0.253 313 V C 2.414 178.405 176.094 -0.172 0.000 1.074 313 V CA 4.090 66.159 62.300 -0.384 0.000 1.076 313 V CB -1.153 30.325 31.823 -0.574 0.000 0.664 313 V HN 0.187 8.013 8.190 -0.417 0.113 0.461 314 L N -1.893 119.283 121.223 -0.079 0.000 2.068 314 L HA -0.294 nan 4.340 nan 0.000 0.204 314 L C 2.146 178.965 176.870 -0.085 0.000 1.076 314 L CA 2.792 57.617 54.840 -0.025 0.000 0.753 314 L CB -0.314 41.767 42.059 0.036 0.000 0.910 314 L HN -0.256 7.800 8.230 -0.070 0.131 0.439 315 L N -0.593 120.557 121.223 -0.122 0.000 2.012 315 L HA -0.356 nan 4.340 nan 0.000 0.210 315 L C 1.843 178.591 176.870 -0.203 0.000 1.073 315 L CA 3.282 58.026 54.840 -0.161 0.000 0.748 315 L CB -0.888 41.059 42.059 -0.186 0.000 0.891 315 L HN 0.158 8.140 8.230 -0.118 0.178 0.431 316 V N -1.053 118.710 119.914 -0.251 0.000 2.252 316 V HA -0.624 nan 4.120 nan 0.000 0.249 316 V C 2.289 178.233 176.094 -0.249 0.000 1.056 316 V CA 4.713 66.819 62.300 -0.323 0.000 1.022 316 V CB -0.911 30.605 31.823 -0.512 0.000 0.641 316 V HN 0.198 8.232 8.190 -0.260 0.000 0.445 317 Q N -2.149 117.539 119.800 -0.187 0.000 2.437 317 Q HA -0.298 nan 4.340 nan 0.000 0.210 317 Q C 1.302 177.264 176.000 -0.063 0.000 0.972 317 Q CA 2.406 58.156 55.803 -0.087 0.000 0.903 317 Q CB -0.261 28.458 28.738 -0.030 0.000 0.967 317 Q HN -0.228 7.924 8.270 -0.196 0.000 0.486 318 A N -1.529 121.234 122.820 -0.096 0.000 1.909 318 A HA -0.028 nan 4.320 nan 0.000 0.209 318 A C 1.241 178.750 177.584 -0.125 0.000 1.247 318 A CA 1.941 53.923 52.037 -0.091 0.000 0.660 318 A CB 0.768 19.708 19.000 -0.101 0.000 0.910 318 A HN -0.384 7.494 8.150 -0.127 0.196 0.465 319 V N -2.466 117.328 119.914 -0.199 0.000 2.809 319 V HA -0.169 nan 4.120 nan 0.000 0.256 319 V C 0.775 176.796 176.094 -0.122 0.000 1.080 319 V CA 2.574 64.718 62.300 -0.259 0.000 1.102 319 V CB 0.250 31.793 31.823 -0.467 0.000 0.705 319 V HN -0.029 8.035 8.190 -0.210 0.000 0.475 320 N N -0.906 117.742 118.700 -0.085 0.000 2.914 320 N HA 0.398 nan 4.740 nan 0.000 0.304 320 N C -1.867 173.666 175.510 0.039 0.000 1.727 320 N CA -1.612 51.438 53.050 0.001 0.000 0.986 320 N CB 0.749 39.242 38.487 0.010 0.000 1.297 320 N HN -0.116 8.069 8.380 -0.118 0.125 0.490 321 P HA -0.193 nan 4.420 nan 0.000 0.218 321 P C -0.518 176.823 177.300 0.068 0.000 1.152 321 P CA 1.596 64.717 63.100 0.034 0.000 0.857 321 P CB 0.252 31.966 31.700 0.022 0.000 0.787 322 E N -2.600 117.651 120.200 0.086 0.000 2.070 322 E HA 0.143 nan 4.350 nan 0.000 0.261 322 E C -1.352 175.346 176.600 0.163 0.000 0.926 322 E CA -0.549 55.907 56.400 0.093 0.000 0.760 322 E CB -0.378 29.354 29.700 0.053 0.000 1.133 322 E HN 0.078 8.459 8.360 0.078 0.026 0.420 323 F N 3.118 123.066 119.950 -0.003 0.000 2.802 323 F HA 0.086 nan 4.527 nan 0.000 0.346 323 F C -0.757 175.044 175.800 0.001 0.000 1.229 323 F CA -0.626 57.370 58.000 -0.007 0.000 1.142 323 F CB 2.381 41.370 39.000 -0.019 0.000 1.146 323 F HN -0.194 8.226 8.300 0.200 0.000 0.510 324 K N 0.474 120.901 120.400 0.046 0.000 2.530 324 K HA -0.130 nan 4.320 nan 0.000 0.280 324 K C -1.111 175.456 176.600 -0.056 0.000 1.004 324 K CA 0.391 56.694 56.287 0.025 0.000 1.071 324 K CB -0.893 31.615 32.500 0.013 0.000 0.876 324 K HN -0.428 7.852 8.250 0.051 0.000 0.487 325 A N 4.647 127.470 122.820 0.005 0.000 2.517 325 A HA 0.114 nan 4.320 nan 0.000 0.280 325 A C -1.066 176.515 177.584 -0.004 0.000 1.353 325 A CA -1.219 50.804 52.037 -0.023 0.000 0.907 325 A CB 1.373 20.406 19.000 0.054 0.000 1.495 325 A HN 0.165 8.352 8.150 0.062 0.000 0.506 326 D N -0.956 119.446 120.400 0.003 0.000 2.583 326 D HA -0.090 nan 4.640 nan 0.000 0.232 326 D C -1.936 174.388 176.300 0.040 0.000 1.128 326 D CA -0.407 53.602 54.000 0.015 0.000 0.859 326 D CB -0.653 40.159 40.800 0.019 0.000 1.169 326 D HN 0.145 8.517 8.370 0.003 0.000 0.481 327 P HA 0.126 nan 4.420 nan 0.000 0.276 327 P C 0.300 177.650 177.300 0.084 0.000 1.244 327 P CA -0.706 62.436 63.100 0.070 0.000 0.801 327 P CB 1.118 32.856 31.700 0.064 0.000 1.006 328 V N -4.662 115.331 119.914 0.132 0.000 2.427 328 V HA 0.017 nan 4.120 nan 0.000 0.248 328 V C -0.045 176.086 176.094 0.063 0.000 1.051 328 V CA 1.675 64.052 62.300 0.127 0.000 1.048 328 V CB -0.039 31.931 31.823 0.244 0.000 0.666 328 V HN 0.411 8.700 8.190 0.163 0.000 0.456 329 V N -1.681 118.289 119.914 0.094 0.000 2.709 329 V HA 0.197 nan 4.120 nan 0.000 0.308 329 V C -0.997 175.137 176.094 0.066 0.000 1.062 329 V CA -0.728 61.598 62.300 0.043 0.000 0.901 329 V CB 2.453 34.282 31.823 0.011 0.000 1.003 329 V HN -0.811 7.475 8.190 0.160 0.000 0.425 330 D N 4.192 124.613 120.400 0.035 0.000 2.527 330 D HA 0.241 nan 4.640 nan 0.000 0.249 330 D C -0.199 176.123 176.300 0.037 0.000 1.029 330 D CA 1.980 55.998 54.000 0.031 0.000 0.951 330 D CB 2.394 43.201 40.800 0.012 0.000 1.093 330 D HN 0.773 9.027 8.370 0.012 0.124 0.464 331 I N -2.629 117.955 120.570 0.022 0.000 2.406 331 I HA 0.340 nan 4.170 nan 0.000 0.290 331 I C -2.179 173.958 176.117 0.033 0.000 0.999 331 I CA -0.776 60.537 61.300 0.022 0.000 1.124 331 I CB 1.805 39.797 38.000 -0.014 0.000 1.289 331 I HN -0.141 8.072 8.210 0.005 0.000 0.441 332 Y N 7.413 127.687 120.300 -0.042 0.000 2.342 332 Y HA 0.319 nan 4.550 nan 0.000 0.338 332 Y C -1.748 174.140 175.900 -0.019 0.000 0.965 332 Y CA -2.117 55.963 58.100 -0.033 0.000 1.159 332 Y CB 1.876 40.350 38.460 0.024 0.000 1.157 332 Y HN -0.189 8.176 8.280 0.142 0.000 0.486 333 L N 9.761 130.678 121.223 -0.509 0.000 2.401 333 L HA 0.147 nan 4.340 nan 0.000 0.283 333 L C -1.301 175.386 176.870 -0.304 0.000 1.151 333 L CA -0.758 53.892 54.840 -0.318 0.000 0.942 333 L CB -0.021 41.888 42.059 -0.251 0.000 1.283 333 L HN 0.285 8.141 8.230 -0.624 0.000 0.442 334 V N 7.262 127.173 119.914 -0.005 0.000 2.585 334 V HA -0.038 nan 4.120 nan 0.000 0.296 334 V C -1.168 175.073 176.094 0.244 0.000 1.035 334 V CA 0.883 63.358 62.300 0.292 0.000 1.084 334 V CB -0.299 31.892 31.823 0.613 0.000 0.953 334 V HN -0.182 8.033 8.190 0.041 0.000 0.483 335 A N 8.054 131.012 122.820 0.230 0.000 2.513 335 A HA 0.557 nan 4.320 nan 0.000 0.296 335 A C -2.395 175.231 177.584 0.070 0.000 1.052 335 A CA -0.232 51.898 52.037 0.156 0.000 0.714 335 A CB 2.263 21.275 19.000 0.020 0.000 1.279 335 A HN -0.051 8.432 8.150 0.219 -0.202 0.397 336 S N 2.220 117.947 115.700 0.045 0.000 2.567 336 S HA 0.289 nan 4.470 nan 0.000 0.270 336 S C -1.056 173.508 174.600 -0.059 0.000 1.152 336 S CA -0.997 57.136 58.200 -0.112 0.000 0.835 336 S CB 2.058 64.993 63.200 -0.440 0.000 1.115 336 S HN 0.256 8.653 8.310 0.145 0.000 0.459 337 G N -1.275 107.481 108.800 -0.073 0.000 2.384 337 G HA2 -0.229 nan 3.960 nan 0.000 0.668 337 G HA3 -0.229 nan 3.960 nan 0.000 0.668 337 G C -1.826 173.063 174.900 -0.018 0.000 1.280 337 G CA -0.660 44.418 45.100 -0.036 0.000 0.992 337 G HN -0.059 8.175 8.290 -0.093 0.000 0.512 338 A N -0.016 122.799 122.820 -0.009 0.000 2.899 338 A HA -0.135 nan 4.320 nan 0.000 0.290 338 A C -0.705 176.880 177.584 0.000 0.000 1.768 338 A CA 1.352 53.386 52.037 -0.004 0.000 1.304 338 A CB -1.579 17.421 19.000 -0.001 0.000 0.990 338 A HN 0.164 8.310 8.150 -0.006 0.000 0.596 339 D N 0.491 120.890 120.400 -0.001 0.000 3.091 339 D HA -0.315 nan 4.640 nan 0.000 0.216 339 D C 0.659 176.961 176.300 0.004 0.000 1.129 339 D CA 0.789 54.790 54.000 0.002 0.000 0.913 339 D CB -0.583 40.219 40.800 0.004 0.000 1.101 339 D HN 0.004 8.371 8.370 -0.005 0.000 0.426 340 T N 0.837 115.393 114.554 0.003 0.000 2.516 340 T HA -0.449 nan 4.350 nan 0.000 0.261 340 T C 1.417 176.115 174.700 -0.002 0.000 1.130 340 T CA 4.090 66.193 62.100 0.005 0.000 1.193 340 T CB -0.083 68.789 68.868 0.007 0.000 0.864 340 T HN -0.466 7.774 8.240 -0.000 0.000 0.410 341 Q N 0.193 119.989 119.800 -0.007 0.000 2.160 341 Q HA -0.534 nan 4.340 nan 0.000 0.219 341 Q C 2.194 178.195 176.000 0.001 0.000 1.051 341 Q CA 3.364 59.162 55.803 -0.009 0.000 0.929 341 Q CB -1.023 27.727 28.738 0.020 0.000 1.059 341 Q HN 0.451 8.717 8.270 -0.007 0.000 0.428 342 S N -0.693 115.014 115.700 0.012 0.000 2.370 342 S HA -0.321 nan 4.470 nan 0.000 0.226 342 S C 2.026 176.628 174.600 0.003 0.000 1.033 342 S CA 2.513 60.721 58.200 0.013 0.000 1.011 342 S CB -0.440 62.767 63.200 0.013 0.000 0.852 342 S HN -0.143 8.175 8.310 0.012 0.000 0.457 343 A N -0.193 122.627 122.820 -0.001 0.000 1.897 343 A HA -0.156 nan 4.320 nan 0.000 0.215 343 A C 1.339 178.914 177.584 -0.015 0.000 1.181 343 A CA 2.668 54.702 52.037 -0.005 0.000 0.620 343 A CB -0.757 18.243 19.000 -0.001 0.000 0.821 343 A HN 0.257 8.404 8.150 0.001 0.004 0.443 344 A N -1.007 121.799 122.820 -0.024 0.000 1.908 344 A HA -0.345 nan 4.320 nan 0.000 0.218 344 A C 2.202 179.747 177.584 -0.065 0.000 1.181 344 A CA 3.034 55.042 52.037 -0.048 0.000 0.627 344 A CB -0.747 18.212 19.000 -0.069 0.000 0.818 344 A HN -0.487 7.579 8.150 -0.019 0.073 0.445 345 M N -2.478 117.090 119.600 -0.053 0.000 2.319 345 M HA -0.327 nan 4.480 nan 0.000 0.265 345 M C 1.872 178.158 176.300 -0.024 0.000 1.068 345 M CA 3.509 58.785 55.300 -0.040 0.000 1.118 345 M CB 0.022 32.627 32.600 0.008 0.000 1.395 345 M HN -0.099 8.169 8.290 -0.037 0.000 0.435 346 A N 0.756 123.566 122.820 -0.017 0.000 1.877 346 A HA -0.268 nan 4.320 nan 0.000 0.216 346 A C 1.726 179.299 177.584 -0.018 0.000 1.186 346 A CA 3.116 55.146 52.037 -0.012 0.000 0.620 346 A CB -0.913 18.082 19.000 -0.007 0.000 0.822 346 A HN -0.555 7.479 8.150 -0.016 0.107 0.443 347 L N -1.077 120.132 121.223 -0.023 0.000 1.989 347 L HA -0.398 nan 4.340 nan 0.000 0.211 347 L C 1.643 178.494 176.870 -0.032 0.000 1.071 347 L CA 2.479 57.303 54.840 -0.025 0.000 0.749 347 L CB -0.859 41.182 42.059 -0.029 0.000 0.890 347 L HN 0.122 8.337 8.230 -0.024 0.000 0.431 348 A N -1.710 121.083 122.820 -0.045 0.000 1.903 348 A HA -0.463 nan 4.320 nan 0.000 0.219 348 A C 2.325 179.887 177.584 -0.037 0.000 1.191 348 A CA 3.349 55.354 52.037 -0.054 0.000 0.638 348 A CB -1.075 17.879 19.000 -0.077 0.000 0.823 348 A HN -0.078 8.042 8.150 -0.051 0.000 0.451 349 E N -2.367 117.817 120.200 -0.026 0.000 2.058 349 E HA -0.377 nan 4.350 nan 0.000 0.194 349 E C 2.549 179.140 176.600 -0.015 0.000 0.997 349 E CA 2.950 59.340 56.400 -0.017 0.000 0.801 349 E CB -0.420 29.274 29.700 -0.010 0.000 0.746 349 E HN -0.173 8.172 8.360 -0.025 0.000 0.450 350 R N -0.546 119.945 120.500 -0.014 0.000 2.080 350 R HA -0.279 nan 4.340 nan 0.000 0.236 350 R C 2.481 178.775 176.300 -0.011 0.000 1.137 350 R CA 3.123 59.217 56.100 -0.010 0.000 0.943 350 R CB -0.050 30.245 30.300 -0.009 0.000 0.846 350 R HN -0.694 7.567 8.270 -0.015 0.000 0.431 351 L N -3.287 117.926 121.223 -0.016 0.000 2.187 351 L HA -0.337 nan 4.340 nan 0.000 0.213 351 L C 2.214 179.076 176.870 -0.015 0.000 1.100 351 L CA 3.087 57.918 54.840 -0.015 0.000 0.765 351 L CB -0.496 41.549 42.059 -0.022 0.000 0.904 351 L HN -0.052 8.166 8.230 -0.019 0.000 0.437 352 R N -2.444 118.046 120.500 -0.017 0.000 2.090 352 R HA -0.265 nan 4.340 nan 0.000 0.228 352 R C 1.106 177.400 176.300 -0.010 0.000 1.110 352 R CA 2.939 59.030 56.100 -0.016 0.000 0.973 352 R CB -0.428 29.861 30.300 -0.019 0.000 0.869 352 R HN -0.562 7.558 8.270 -0.019 0.139 0.440 353 D N -1.722 118.674 120.400 -0.008 0.000 2.149 353 D HA -0.069 nan 4.640 nan 0.000 0.201 353 D C 1.223 177.521 176.300 -0.003 0.000 0.972 353 D CA 1.991 55.989 54.000 -0.005 0.000 0.835 353 D CB -0.097 40.701 40.800 -0.004 0.000 0.966 353 D HN -0.579 7.785 8.370 -0.009 0.000 0.476 354 E N -1.495 118.703 120.200 -0.003 0.000 2.072 354 E HA -0.163 nan 4.350 nan 0.000 0.191 354 E C 0.396 176.995 176.600 -0.002 0.000 0.985 354 E CA 2.779 59.178 56.400 -0.001 0.000 0.801 354 E CB 0.895 30.596 29.700 0.001 0.000 0.750 354 E HN -0.327 8.030 8.360 -0.005 0.000 0.452 355 L N -1.874 119.346 121.223 -0.004 0.000 2.371 355 L HA 0.341 nan 4.340 nan 0.000 0.262 355 L C -2.099 174.767 176.870 -0.005 0.000 1.054 355 L CA -3.127 51.710 54.840 -0.004 0.000 0.924 355 L CB -0.620 41.437 42.059 -0.005 0.000 1.295 355 L HN -0.260 7.857 8.230 -0.005 0.110 0.441 356 P HA 0.201 nan 4.420 nan 0.000 0.282 356 P C 0.236 177.534 177.300 -0.003 0.000 1.249 356 P CA -0.270 62.828 63.100 -0.003 0.000 0.806 356 P CB 0.655 32.354 31.700 -0.001 0.000 0.984 357 G N 1.026 109.824 108.800 -0.003 0.000 2.217 357 G HA2 -0.325 nan 3.960 nan 0.000 0.246 357 G HA3 -0.325 nan 3.960 nan 0.000 0.246 357 G C -1.139 173.759 174.900 -0.003 0.000 0.990 357 G CA -0.011 45.087 45.100 -0.002 0.000 0.627 357 G HN 0.467 8.755 8.290 -0.003 0.000 0.522 358 V N -3.646 116.265 119.914 -0.006 0.000 2.644 358 V HA 0.438 nan 4.120 nan 0.000 0.295 358 V C -0.509 175.578 176.094 -0.012 0.000 1.053 358 V CA -2.513 59.783 62.300 -0.007 0.000 0.987 358 V CB 0.439 32.258 31.823 -0.008 0.000 1.006 358 V HN -0.784 7.323 8.190 -0.007 0.079 0.472 359 K N 4.112 124.505 120.400 -0.011 0.000 2.281 359 K HA 0.312 nan 4.320 nan 0.000 0.272 359 K C -1.762 174.819 176.600 -0.032 0.000 1.048 359 K CA -1.115 55.159 56.287 -0.022 0.000 0.898 359 K CB 0.624 33.116 32.500 -0.013 0.000 1.128 359 K HN 0.447 9.087 8.250 -0.006 -0.394 0.460 360 L N 5.019 126.212 121.223 -0.050 0.000 2.349 360 L HA 0.584 nan 4.340 nan 0.000 0.278 360 L C -2.016 174.789 176.870 -0.109 0.000 0.996 360 L CA -0.685 54.114 54.840 -0.068 0.000 0.825 360 L CB 2.868 44.889 42.059 -0.062 0.000 1.243 360 L HN 0.458 8.658 8.230 -0.050 0.000 0.412 361 M N 7.625 127.136 119.600 -0.149 0.000 2.101 361 M HA 0.433 nan 4.480 nan 0.000 0.340 361 M C -1.618 174.469 176.300 -0.356 0.000 1.057 361 M CA -1.146 54.025 55.300 -0.215 0.000 0.984 361 M CB 3.127 35.569 32.600 -0.263 0.000 1.560 361 M HN 0.724 8.946 8.290 -0.114 0.000 0.435 362 T N 8.565 122.946 114.554 -0.288 0.000 2.738 362 T HA 0.033 nan 4.350 nan 0.000 0.293 362 T C -0.274 174.129 174.700 -0.494 0.000 0.913 362 T CA -0.169 61.691 62.100 -0.400 0.000 1.103 362 T CB -0.907 67.766 68.868 -0.325 0.000 0.880 362 T HN 0.376 8.509 8.240 -0.179 0.000 0.526 363 N N 7.218 125.534 118.700 -0.639 0.000 2.265 363 N HA -0.319 nan 4.740 nan 0.000 0.231 363 N C -1.366 173.980 175.510 -0.273 0.000 1.266 363 N CA 1.289 54.178 53.050 -0.268 0.000 0.862 363 N CB 0.852 39.285 38.487 -0.091 0.000 1.100 363 N HN -0.192 7.695 8.380 -0.823 0.000 0.439 364 H N 2.472 121.598 119.070 0.094 0.000 3.012 364 H HA 0.101 nan 4.556 nan 0.000 0.367 364 H C -0.408 174.966 175.328 0.075 0.000 1.211 364 H CA 0.227 56.311 56.048 0.060 0.000 1.139 364 H CB 3.903 33.692 29.762 0.045 0.000 1.838 364 H HN 0.248 8.684 8.280 0.259 0.000 0.550 365 G N 0.630 109.561 108.800 0.219 0.000 2.460 365 G HA2 -0.388 nan 3.960 nan 0.000 0.259 365 G HA3 -0.388 nan 3.960 nan 0.000 0.259 365 G C 0.396 175.349 174.900 0.088 0.000 0.959 365 G CA -0.298 44.877 45.100 0.124 0.000 1.330 365 G HN 0.567 9.019 8.290 0.269 0.000 0.451 366 G N 1.940 110.772 108.800 0.053 0.000 2.561 366 G HA2 -0.317 nan 3.960 nan 0.000 0.360 366 G HA3 -0.317 nan 3.960 nan 0.000 0.360 366 G C -0.659 174.253 174.900 0.020 0.000 1.328 366 G CA -0.479 44.630 45.100 0.014 0.000 0.918 366 G HN 0.288 8.609 8.290 0.053 0.000 0.542 367 G N -3.195 105.592 108.800 -0.022 0.000 2.801 367 G HA2 -0.139 nan 3.960 nan 0.000 0.648 367 G HA3 -0.139 nan 3.960 nan 0.000 0.648 367 G C -2.495 172.344 174.900 -0.102 0.000 1.415 367 G CA -0.667 44.423 45.100 -0.016 0.000 0.887 367 G HN -0.150 8.113 8.290 -0.046 0.000 0.627 368 N N 0.454 119.091 118.700 -0.104 0.000 2.467 368 N HA 0.063 nan 4.740 nan 0.000 0.262 368 N C 1.202 176.609 175.510 -0.171 0.000 1.234 368 N CA -0.782 52.156 53.050 -0.186 0.000 0.952 368 N CB 1.110 39.530 38.487 -0.112 0.000 1.158 368 N HN -0.223 8.122 8.380 -0.059 0.000 0.463 369 F N 0.254 120.092 119.950 -0.186 0.000 2.147 369 F HA -0.374 nan 4.527 nan 0.000 0.301 369 F C 1.888 177.384 175.800 -0.508 0.000 1.084 369 F CA 3.512 61.251 58.000 -0.436 0.000 1.268 369 F CB -0.319 38.325 39.000 -0.595 0.000 1.009 369 F HN 0.480 8.530 8.300 -0.416 0.000 0.486 370 K N -1.374 118.964 120.400 -0.105 0.000 2.009 370 K HA -0.375 nan 4.320 nan 0.000 0.210 370 K C 2.365 178.986 176.600 0.036 0.000 1.049 370 K CA 3.067 59.327 56.287 -0.044 0.000 0.929 370 K CB -0.990 31.501 32.500 -0.014 0.000 0.714 370 K HN -0.018 8.453 8.250 -0.065 -0.260 0.440 371 K N -0.453 119.963 120.400 0.027 0.000 2.001 371 K HA -0.346 nan 4.320 nan 0.000 0.214 371 K C 2.558 179.232 176.600 0.122 0.000 1.050 371 K CA 3.020 59.340 56.287 0.055 0.000 0.934 371 K CB -0.599 31.921 32.500 0.034 0.000 0.718 371 K HN -0.717 7.614 8.250 -0.007 -0.085 0.443 372 Q N -2.147 117.771 119.800 0.195 0.000 2.096 372 Q HA -0.330 nan 4.340 nan 0.000 0.204 372 Q C 2.823 179.097 176.000 0.455 0.000 0.982 372 Q CA 3.035 59.066 55.803 0.379 0.000 0.850 372 Q CB -0.114 28.956 28.738 0.553 0.000 0.901 372 Q HN -0.072 8.279 8.270 0.136 0.000 0.422 373 F N -0.653 119.384 119.950 0.145 0.000 2.216 373 F HA -0.259 nan 4.527 nan 0.000 0.300 373 F C 2.082 177.882 175.800 -0.000 0.000 1.085 373 F CA 0.676 58.726 58.000 0.083 0.000 1.326 373 F CB -1.267 37.785 39.000 0.087 0.000 1.027 373 F HN 0.373 8.831 8.300 0.438 0.106 0.497 374 A N -0.759 122.165 122.820 0.174 0.000 1.929 374 A HA -0.269 nan 4.320 nan 0.000 0.216 374 A C 2.117 179.673 177.584 -0.048 0.000 1.176 374 A CA 3.053 55.119 52.037 0.048 0.000 0.628 374 A CB -0.673 18.345 19.000 0.031 0.000 0.816 374 A HN 0.140 8.408 8.150 0.197 0.000 0.444 375 R N -1.339 119.117 120.500 -0.074 0.000 2.081 375 R HA -0.375 nan 4.340 nan 0.000 0.235 375 R C 2.137 178.281 176.300 -0.260 0.000 1.131 375 R CA 3.364 59.355 56.100 -0.182 0.000 0.960 375 R CB -0.129 30.109 30.300 -0.103 0.000 0.856 375 R HN -0.047 8.223 8.270 0.000 0.000 0.436 376 A N -0.708 121.872 122.820 -0.401 0.000 1.908 376 A HA -0.285 nan 4.320 nan 0.000 0.218 376 A C 1.785 179.348 177.584 -0.035 0.000 1.181 376 A CA 3.256 55.102 52.037 -0.319 0.000 0.627 376 A CB -0.985 17.945 19.000 -0.116 0.000 0.818 376 A HN 0.239 8.133 8.150 -0.299 0.076 0.445 377 D N -1.982 118.391 120.400 -0.045 0.000 2.144 377 D HA -0.203 nan 4.640 nan 0.000 0.200 377 D C 3.074 179.348 176.300 -0.043 0.000 0.978 377 D CA 3.377 57.364 54.000 -0.022 0.000 0.833 377 D CB -0.031 40.760 40.800 -0.016 0.000 0.961 377 D HN -0.381 7.859 8.370 -0.052 0.099 0.470 378 K N 1.581 121.902 120.400 -0.133 0.000 2.044 378 K HA -0.298 nan 4.320 nan 0.000 0.210 378 K C 1.815 178.287 176.600 -0.215 0.000 1.049 378 K CA 2.674 58.805 56.287 -0.259 0.000 0.927 378 K CB -0.052 32.160 32.500 -0.479 0.000 0.713 378 K HN 0.041 8.118 8.250 -0.148 0.084 0.443 379 W N -4.866 116.394 121.300 -0.067 0.000 2.699 379 W HA -0.117 nan 4.660 nan 0.000 0.249 379 W C -0.421 176.093 176.519 -0.009 0.000 1.280 379 W CA 0.017 57.347 57.345 -0.024 0.000 1.345 379 W CB 0.735 30.191 29.460 -0.006 0.000 1.128 379 W HN -0.456 7.709 8.180 -0.025 0.000 0.642 380 G N -4.201 104.698 108.800 0.165 0.000 2.149 380 G HA2 -0.503 nan 3.960 nan 0.000 0.235 380 G HA3 -0.503 nan 3.960 nan 0.000 0.235 380 G C -0.946 174.013 174.900 0.098 0.000 1.018 380 G CA -0.376 44.784 45.100 0.101 0.000 0.728 380 G HN -0.442 7.716 8.290 0.113 0.200 0.508 381 A N -1.970 120.922 122.820 0.121 0.000 2.462 381 A HA 0.014 nan 4.320 nan 0.000 0.243 381 A C -0.226 177.384 177.584 0.044 0.000 1.076 381 A CA 0.087 52.183 52.037 0.099 0.000 0.773 381 A CB 0.694 19.783 19.000 0.149 0.000 1.010 381 A HN -0.368 7.871 8.150 0.148 0.000 0.493 382 R N 2.302 122.818 120.500 0.026 0.000 2.105 382 R HA 0.107 nan 4.340 nan 0.000 0.214 382 R C -0.727 175.560 176.300 -0.021 0.000 1.091 382 R CA 1.461 57.562 56.100 0.002 0.000 1.007 382 R CB 1.350 31.651 30.300 0.003 0.000 0.912 382 R HN 0.628 8.818 8.270 0.033 0.100 0.450 383 V N -8.337 111.566 119.914 -0.018 0.000 3.001 383 V HA 0.844 nan 4.120 nan 0.000 0.314 383 V C -2.183 173.880 176.094 -0.052 0.000 1.099 383 V CA -3.549 58.724 62.300 -0.045 0.000 0.989 383 V CB 3.321 35.127 31.823 -0.028 0.000 1.040 383 V HN -0.798 7.392 8.190 -0.000 0.000 0.434 384 A N 0.241 122.998 122.820 -0.105 0.000 2.343 384 A HA 0.697 nan 4.320 nan 0.000 0.308 384 A C -2.180 175.350 177.584 -0.089 0.000 1.092 384 A CA -1.655 50.315 52.037 -0.111 0.000 0.751 384 A CB 2.803 21.629 19.000 -0.290 0.000 1.203 384 A HN 0.829 8.798 8.150 -0.123 0.107 0.452 385 V N 6.555 126.437 119.914 -0.054 0.000 2.221 385 V HA 0.313 nan 4.120 nan 0.000 0.258 385 V C -0.356 175.729 176.094 -0.014 0.000 1.179 385 V CA -0.315 61.958 62.300 -0.044 0.000 1.022 385 V CB -0.599 31.196 31.823 -0.047 0.000 1.228 385 V HN -0.125 8.037 8.190 -0.048 0.000 0.487 386 V N 5.980 125.892 119.914 -0.003 0.000 3.139 386 V HA 0.004 nan 4.120 nan 0.000 0.307 386 V C -0.884 175.243 176.094 0.055 0.000 1.095 386 V CA -0.309 62.025 62.300 0.055 0.000 1.160 386 V CB 0.566 32.381 31.823 -0.012 0.000 1.003 386 V HN -0.201 7.966 8.190 -0.037 0.000 0.489 387 L N 2.389 123.689 121.223 0.127 0.000 2.392 387 L HA 0.227 nan 4.340 nan 0.000 0.262 387 L C -0.237 176.723 176.870 0.149 0.000 1.498 387 L CA 0.021 54.920 54.840 0.098 0.000 0.820 387 L CB 1.376 43.468 42.059 0.056 0.000 0.990 387 L HN 0.295 8.665 8.230 0.233 0.000 0.520 388 G N 0.859 109.756 108.800 0.161 0.000 2.651 388 G HA2 0.025 nan 3.960 nan 0.000 0.260 388 G HA3 0.025 nan 3.960 nan 0.000 0.260 388 G C -0.316 174.638 174.900 0.090 0.000 1.216 388 G CA -0.639 44.566 45.100 0.175 0.000 0.913 388 G HN -0.676 7.965 8.290 0.117 -0.281 0.535 389 E N 0.943 121.187 120.200 0.072 0.000 2.118 389 E HA -0.363 nan 4.350 nan 0.000 0.195 389 E C 2.192 178.812 176.600 0.034 0.000 0.992 389 E CA 3.061 59.486 56.400 0.041 0.000 0.804 389 E CB -0.578 29.140 29.700 0.031 0.000 0.741 389 E HN 0.478 8.888 8.360 0.084 0.000 0.458 390 S N 0.343 116.067 115.700 0.040 0.000 2.351 390 S HA -0.326 nan 4.470 nan 0.000 0.220 390 S C 1.962 176.574 174.600 0.020 0.000 1.035 390 S CA 4.127 62.343 58.200 0.027 0.000 1.031 390 S CB -0.540 62.678 63.200 0.029 0.000 0.928 390 S HN 0.199 8.530 8.310 0.053 0.011 0.433 391 E N 0.432 120.646 120.200 0.024 0.000 2.219 391 E HA -0.267 nan 4.350 nan 0.000 0.198 391 E C 2.130 178.736 176.600 0.010 0.000 0.998 391 E CA 3.123 59.530 56.400 0.012 0.000 0.818 391 E CB -0.697 29.011 29.700 0.014 0.000 0.741 391 E HN 0.259 8.641 8.360 0.036 0.000 0.477 392 V N -0.966 118.958 119.914 0.016 0.000 2.283 392 V HA -0.290 nan 4.120 nan 0.000 0.243 392 V C 2.344 178.443 176.094 0.007 0.000 1.039 392 V CA 3.980 66.287 62.300 0.011 0.000 1.016 392 V CB -1.031 30.801 31.823 0.014 0.000 0.650 392 V HN -0.463 7.599 8.190 0.025 0.142 0.449 393 A N 0.150 122.976 122.820 0.009 0.000 1.972 393 A HA -0.235 nan 4.320 nan 0.000 0.219 393 A C 1.357 178.943 177.584 0.004 0.000 1.169 393 A CA 3.012 55.053 52.037 0.007 0.000 0.635 393 A CB -0.359 18.646 19.000 0.008 0.000 0.810 393 A HN 0.072 8.164 8.150 0.013 0.066 0.446 394 N N -4.278 114.423 118.700 0.003 0.000 2.383 394 N HA 0.072 nan 4.740 nan 0.000 0.192 394 N C 0.424 175.932 175.510 -0.004 0.000 1.141 394 N CA -1.050 52.000 53.050 -0.001 0.000 0.851 394 N CB 0.057 38.543 38.487 -0.002 0.000 0.976 394 N HN -0.102 8.262 8.380 0.005 0.019 0.465 395 G N -0.626 108.172 108.800 -0.003 0.000 2.187 395 G HA2 -0.401 nan 3.960 nan 0.000 0.261 395 G HA3 -0.401 nan 3.960 nan 0.000 0.261 395 G C -0.905 173.988 174.900 -0.012 0.000 1.000 395 G CA 1.220 46.317 45.100 -0.006 0.000 0.718 395 G HN -0.202 7.901 8.290 -0.000 0.188 0.519 396 T N -2.833 111.712 114.554 -0.014 0.000 2.893 396 T HA 0.824 nan 4.350 nan 0.000 0.279 396 T C -1.513 173.172 174.700 -0.024 0.000 0.991 396 T CA -2.732 59.353 62.100 -0.025 0.000 0.950 396 T CB 2.716 71.567 68.868 -0.028 0.000 1.223 396 T HN -0.476 7.708 8.240 -0.009 0.051 0.585 397 A N -1.385 121.412 122.820 -0.038 0.000 2.513 397 A HA 0.194 nan 4.320 nan 0.000 0.285 397 A C -1.756 175.797 177.584 -0.052 0.000 1.047 397 A CA 0.239 52.255 52.037 -0.034 0.000 0.864 397 A CB 1.942 20.921 19.000 -0.035 0.000 1.373 397 A HN -0.075 8.043 8.150 -0.053 0.000 0.403 398 V N 4.076 123.963 119.914 -0.044 0.000 2.763 398 V HA 0.063 nan 4.120 nan 0.000 0.306 398 V C -0.605 175.448 176.094 -0.067 0.000 1.059 398 V CA 1.352 63.617 62.300 -0.059 0.000 1.138 398 V CB 0.310 32.100 31.823 -0.056 0.000 0.940 398 V HN 0.250 8.423 8.190 -0.029 0.000 0.489 399 V N 7.313 127.179 119.914 -0.080 0.000 2.326 399 V HA 0.279 nan 4.120 nan 0.000 0.281 399 V C -1.099 174.950 176.094 -0.074 0.000 1.015 399 V CA -1.363 60.891 62.300 -0.076 0.000 0.823 399 V CB 0.127 31.901 31.823 -0.081 0.000 1.009 399 V HN 0.433 8.571 8.190 -0.086 0.000 0.436 400 K N 8.120 128.460 120.400 -0.100 0.000 2.234 400 K HA 0.327 nan 4.320 nan 0.000 0.277 400 K C -1.973 174.556 176.600 -0.118 0.000 1.038 400 K CA -2.061 54.152 56.287 -0.124 0.000 0.888 400 K CB 1.668 34.031 32.500 -0.229 0.000 1.091 400 K HN 0.833 9.016 8.250 -0.111 0.000 0.467 401 D N 6.378 126.732 120.400 -0.077 0.000 2.365 401 D HA 0.212 nan 4.640 nan 0.000 0.237 401 D C 0.818 177.074 176.300 -0.073 0.000 1.190 401 D CA -0.748 53.216 54.000 -0.058 0.000 0.867 401 D CB 0.812 41.595 40.800 -0.029 0.000 1.050 401 D HN -0.139 8.195 8.370 -0.060 0.000 0.491 402 L N 4.978 126.148 121.223 -0.088 0.000 2.191 402 L HA -0.321 nan 4.340 nan 0.000 0.212 402 L C 1.719 178.563 176.870 -0.043 0.000 1.103 402 L CA 2.721 57.508 54.840 -0.087 0.000 0.769 402 L CB -0.325 41.681 42.059 -0.088 0.000 0.908 402 L HN 0.470 8.649 8.230 -0.085 0.000 0.438 403 R N -1.561 118.921 120.500 -0.029 0.000 2.066 403 R HA -0.194 nan 4.340 nan 0.000 0.232 403 R C 1.588 177.881 176.300 -0.011 0.000 1.131 403 R CA 2.748 58.839 56.100 -0.015 0.000 0.955 403 R CB 0.441 30.735 30.300 -0.011 0.000 0.851 403 R HN -0.088 8.190 8.270 -0.032 -0.027 0.432 404 S N -5.532 110.160 115.700 -0.012 0.000 2.578 404 S HA 0.160 nan 4.470 nan 0.000 0.228 404 S C 0.223 174.819 174.600 -0.005 0.000 1.022 404 S CA -0.113 58.084 58.200 -0.006 0.000 0.967 404 S CB 1.390 64.588 63.200 -0.004 0.000 0.914 404 S HN 0.103 8.802 8.310 -0.018 -0.400 0.515 405 G N 1.620 110.411 108.800 -0.015 0.000 2.184 405 G HA2 -0.322 nan 3.960 nan 0.000 0.264 405 G HA3 -0.322 nan 3.960 nan 0.000 0.264 405 G C -0.880 174.014 174.900 -0.010 0.000 0.975 405 G CA 0.602 45.695 45.100 -0.012 0.000 0.642 405 G HN 0.249 8.438 8.290 -0.025 0.086 0.536 406 E N 1.765 121.958 120.200 -0.012 0.000 2.341 406 E HA -0.231 nan 4.350 nan 0.000 0.256 406 E C -0.773 175.816 176.600 -0.018 0.000 1.125 406 E CA 0.221 56.616 56.400 -0.009 0.000 0.939 406 E CB -0.984 28.714 29.700 -0.003 0.000 0.991 406 E HN 0.088 8.363 8.360 -0.012 0.078 0.458 407 Q N 3.587 123.377 119.800 -0.018 0.000 2.325 407 Q HA 0.487 nan 4.340 nan 0.000 0.262 407 Q C -0.692 175.290 176.000 -0.029 0.000 0.968 407 Q CA -1.455 54.330 55.803 -0.030 0.000 0.877 407 Q CB 1.292 30.013 28.738 -0.028 0.000 1.253 407 Q HN 0.031 8.295 8.270 -0.010 0.000 0.448 408 T N -1.025 113.504 114.554 -0.041 0.000 2.861 408 T HA 0.407 nan 4.350 nan 0.000 0.287 408 T C -1.019 173.634 174.700 -0.079 0.000 1.003 408 T CA -1.485 60.586 62.100 -0.047 0.000 0.977 408 T CB 2.351 71.198 68.868 -0.034 0.000 0.996 408 T HN -0.042 8.169 8.240 -0.049 0.000 0.448 409 A N 4.231 127.010 122.820 -0.069 0.000 2.409 409 A HA 0.432 nan 4.320 nan 0.000 0.267 409 A C -0.714 176.798 177.584 -0.120 0.000 1.127 409 A CA 0.052 52.041 52.037 -0.079 0.000 0.795 409 A CB 0.442 19.412 19.000 -0.050 0.000 1.061 409 A HN 0.255 8.375 8.150 -0.051 0.000 0.502 410 V N 1.972 121.796 119.914 -0.151 0.000 2.960 410 V HA 0.227 nan 4.120 nan 0.000 0.315 410 V C -1.058 174.965 176.094 -0.117 0.000 1.087 410 V CA -1.542 60.633 62.300 -0.208 0.000 0.982 410 V CB 4.087 35.681 31.823 -0.382 0.000 1.039 410 V HN -0.359 7.756 8.190 -0.125 0.000 0.437 411 A N 0.538 123.306 122.820 -0.088 0.000 2.354 411 A HA 0.278 nan 4.320 nan 0.000 0.269 411 A C 0.558 178.120 177.584 -0.036 0.000 1.109 411 A CA -0.446 51.566 52.037 -0.042 0.000 0.800 411 A CB 0.820 19.810 19.000 -0.017 0.000 1.045 411 A HN -0.014 8.078 8.150 -0.097 0.000 0.489 412 Q N 3.604 123.389 119.800 -0.025 0.000 2.062 412 Q HA -0.483 nan 4.340 nan 0.000 0.209 412 Q C 1.802 177.799 176.000 -0.004 0.000 0.996 412 Q CA 4.610 60.403 55.803 -0.017 0.000 0.859 412 Q CB -0.050 28.680 28.738 -0.012 0.000 0.920 412 Q HN 0.174 8.431 8.270 -0.022 0.000 0.415 413 D N -4.030 116.372 120.400 0.003 0.000 2.265 413 D HA -0.204 nan 4.640 nan 0.000 0.208 413 D C 1.447 177.765 176.300 0.030 0.000 0.977 413 D CA 2.714 56.722 54.000 0.013 0.000 0.871 413 D CB -0.557 40.250 40.800 0.011 0.000 0.925 413 D HN 0.373 8.742 8.370 -0.000 0.000 0.485 414 S N -1.583 114.143 115.700 0.043 0.000 2.502 414 S HA 0.102 nan 4.470 nan 0.000 0.215 414 S C 1.747 176.444 174.600 0.161 0.000 1.009 414 S CA 0.152 58.418 58.200 0.110 0.000 0.908 414 S CB 0.715 63.999 63.200 0.140 0.000 0.801 414 S HN -0.428 7.726 8.310 0.021 0.168 0.505 415 V N 2.881 122.822 119.914 0.045 0.000 2.231 415 V HA -0.561 nan 4.120 nan 0.000 0.250 415 V C 1.314 177.454 176.094 0.077 0.000 1.058 415 V CA 3.979 66.291 62.300 0.019 0.000 1.022 415 V CB -1.103 30.708 31.823 -0.021 0.000 0.640 415 V HN -0.125 7.946 8.190 0.011 0.126 0.445 416 A N -1.831 121.019 122.820 0.049 0.000 1.896 416 A HA -0.485 nan 4.320 nan 0.000 0.220 416 A C 1.659 179.273 177.584 0.051 0.000 1.206 416 A CA 3.601 55.660 52.037 0.038 0.000 0.647 416 A CB -1.151 17.862 19.000 0.022 0.000 0.828 416 A HN -0.244 7.927 8.150 0.035 0.000 0.455 417 A N -1.672 121.186 122.820 0.063 0.000 1.908 417 A HA -0.317 nan 4.320 nan 0.000 0.218 417 A C 2.431 180.020 177.584 0.007 0.000 1.181 417 A CA 3.036 55.086 52.037 0.021 0.000 0.627 417 A CB -1.146 17.853 19.000 -0.002 0.000 0.818 417 A HN -0.243 7.952 8.150 0.076 0.000 0.445 418 H N -1.381 117.681 119.070 -0.013 0.000 2.353 418 H HA -0.312 nan 4.556 nan 0.000 0.300 418 H C 2.745 178.063 175.328 -0.017 0.000 1.090 418 H CA 4.137 60.176 56.048 -0.015 0.000 1.327 418 H CB 0.173 29.925 29.762 -0.016 0.000 1.383 418 H HN -0.536 7.849 8.280 0.304 0.078 0.508 419 L N -0.842 120.446 121.223 0.109 0.000 2.017 419 L HA -0.405 nan 4.340 nan 0.000 0.208 419 L C 1.629 178.513 176.870 0.023 0.000 1.073 419 L CA 3.292 58.160 54.840 0.046 0.000 0.745 419 L CB -0.462 41.613 42.059 0.026 0.000 0.894 419 L HN 0.377 8.681 8.230 0.124 0.000 0.432 420 R N -1.295 119.215 120.500 0.017 0.000 2.119 420 R HA -0.480 nan 4.340 nan 0.000 0.246 420 R C 2.206 178.499 176.300 -0.011 0.000 1.146 420 R CA 3.998 60.097 56.100 -0.001 0.000 0.962 420 R CB -0.029 30.267 30.300 -0.006 0.000 0.863 420 R HN 0.314 8.600 8.270 0.028 0.000 0.442 421 T N -1.436 113.107 114.554 -0.019 0.000 2.851 421 T HA -0.129 nan 4.350 nan 0.000 0.262 421 T C 1.745 176.437 174.700 -0.013 0.000 1.043 421 T CA 2.502 64.585 62.100 -0.028 0.000 1.140 421 T CB -0.511 68.321 68.868 -0.060 0.000 0.872 421 T HN -0.476 7.654 8.240 -0.017 0.100 0.446 422 L N 0.544 121.767 121.223 0.001 0.000 2.051 422 L HA -0.372 nan 4.340 nan 0.000 0.214 422 L C 2.159 179.028 176.870 -0.001 0.000 1.076 422 L CA 3.005 57.848 54.840 0.005 0.000 0.758 422 L CB -0.261 41.807 42.059 0.016 0.000 0.890 422 L HN -0.160 8.019 8.230 0.010 0.057 0.433 423 L N -8.435 112.787 121.223 -0.002 0.000 2.121 423 L HA 0.059 nan 4.340 nan 0.000 0.200 423 L C 0.624 177.490 176.870 -0.007 0.000 1.077 423 L CA 1.063 55.901 54.840 -0.004 0.000 0.766 423 L CB 0.461 42.519 42.059 -0.002 0.000 0.931 423 L HN -0.083 8.128 8.230 0.000 0.019 0.452 424 G N 0.000 108.795 108.800 -0.009 0.000 5.446 424 G HA2 0.000 nan 3.960 nan 0.000 0.244 424 G HA3 0.000 nan 3.960 nan 0.000 0.244 424 G CA 0.000 45.093 45.100 -0.012 0.000 0.502 424 G HN 0.000 8.285 8.290 -0.008 0.000 0.925