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 3f0n_1_B DATA FIRST_RESID 7 DATA SEQUENCE DLMVTCTAPV NIAVIKYWGK RDEALILPIN SSLSVTLHQD QLKTTTTVAI DATA SEQUENCE SKDFTEDRIW LNGREEDVGQ PRLQACLREI RRLARKRRXX XXXXXXXLSL DATA SEQUENCE SYKVHVASVN NFPXXXXXAS SAAGYACLAY TLAQVYGVEG DLSEVARRGS DATA SEQUENCE GSACRSLYGG FVEWQMGEQA DGKDSIARQI APEWHWPQLR ILILVVSADK DATA SEQUENCE KQTGSTVGMQ TSVETSTLLK FRAESVVPER MKEMTRCIQE QDFQGFAQLT DATA SEQUENCE MKDSNQFHAT CLDTFPPISY LNDTSRRIIQ LVHRFNTHHG QTKVAYTFDA DATA SEQUENCE GPNAVIFTLE DTVAEFVAAV RHSFPPAANX XKFLKGLQVA PVLLSDELKA DATA SEQUENCE ALVXXPSPGG VQYIIATQVG PGPQVLDDTH DHLLGQDGLP Q 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.201 176.300 -0.164 0.000 2.045 7 D CA 0.000 53.857 54.000 -0.238 0.000 0.868 7 D CB 0.000 40.648 40.800 -0.253 0.000 0.688 8 L N 1.916 123.042 121.223 -0.163 0.000 2.386 8 L HA 0.791 5.137 4.340 0.010 0.000 0.271 8 L C -1.640 175.141 176.870 -0.147 0.000 0.993 8 L CA -0.377 54.388 54.840 -0.126 0.000 0.819 8 L CB 1.912 43.912 42.059 -0.097 0.000 1.294 8 L HN 0.495 nan 8.230 nan 0.000 0.414 9 M N 5.033 124.526 119.600 -0.179 0.000 2.259 9 M HA 0.715 5.201 4.480 0.010 0.000 0.304 9 M C -1.852 174.303 176.300 -0.242 0.000 1.019 9 M CA -0.589 54.536 55.300 -0.291 0.000 0.922 9 M CB 1.815 34.085 32.600 -0.549 0.000 1.600 9 M HN 0.454 nan 8.290 nan 0.000 0.433 10 V N 2.903 122.746 119.914 -0.117 0.000 2.709 10 V HA 0.616 4.741 4.120 0.010 0.000 0.308 10 V C -0.575 175.600 176.094 0.135 0.000 1.062 10 V CA -0.592 61.742 62.300 0.055 0.000 0.901 10 V CB 2.483 34.320 31.823 0.024 0.000 1.003 10 V HN 0.850 nan 8.190 nan 0.000 0.425 11 T N 3.131 117.829 114.554 0.240 0.000 2.812 11 T HA 0.581 4.937 4.350 0.010 0.000 0.282 11 T C -0.560 174.203 174.700 0.104 0.000 0.990 11 T CA -0.262 61.945 62.100 0.178 0.000 0.960 11 T CB 1.038 70.031 68.868 0.209 0.000 0.948 11 T HN 0.768 nan 8.240 nan 0.000 0.438 12 C N 2.182 121.537 119.300 0.092 0.000 2.848 12 C HA 0.934 5.399 4.460 0.010 0.000 0.317 12 C C 0.631 175.629 174.990 0.014 0.000 1.260 12 C CA -0.947 58.126 59.018 0.091 0.000 1.656 12 C CB 1.727 29.614 27.740 0.245 0.000 2.174 12 C HN 1.011 nan 8.230 nan 0.000 0.479 13 T N -0.734 113.796 114.554 -0.040 0.000 2.932 13 T HA 0.872 5.228 4.350 0.010 0.000 0.289 13 T C -0.673 173.957 174.700 -0.116 0.000 1.039 13 T CA -0.418 61.641 62.100 -0.068 0.000 1.024 13 T CB 1.808 70.627 68.868 -0.082 0.000 1.090 13 T HN 1.334 nan 8.240 nan 0.000 0.496 14 A N 2.242 125.013 122.820 -0.082 0.000 2.498 14 A HA 0.923 5.248 4.320 0.010 0.000 0.298 14 A C -3.016 174.544 177.584 -0.040 0.000 1.075 14 A CA -1.992 49.977 52.037 -0.112 0.000 0.714 14 A CB 1.599 20.546 19.000 -0.090 0.000 1.299 14 A HN 0.720 nan 8.150 nan 0.000 0.407 15 P HA 0.464 nan 4.420 nan 0.000 0.282 15 P C 0.038 177.309 177.300 -0.049 0.000 1.259 15 P CA -0.280 62.788 63.100 -0.054 0.000 0.826 15 P CB 1.409 33.041 31.700 -0.113 0.000 1.064 16 V N -0.388 119.468 119.914 -0.097 0.000 3.083 16 V HA 0.532 4.658 4.120 0.010 0.000 0.306 16 V C -0.085 175.935 176.094 -0.124 0.000 1.077 16 V CA -0.436 61.758 62.300 -0.177 0.000 1.073 16 V CB 0.196 31.786 31.823 -0.388 0.000 1.081 16 V HN 0.852 nan 8.190 nan 0.000 0.474 17 N N 1.241 119.884 118.700 -0.095 0.000 2.284 17 N HA 0.648 5.394 4.740 0.010 0.000 0.289 17 N C -1.424 174.075 175.510 -0.018 0.000 1.179 17 N CA -0.956 52.064 53.050 -0.049 0.000 0.774 17 N CB 1.999 40.472 38.487 -0.023 0.000 1.548 17 N HN 0.602 nan 8.380 nan 0.000 0.473 18 I N 0.938 121.531 120.570 0.038 0.000 2.389 18 I HA 0.452 4.628 4.170 0.010 0.000 0.288 18 I C 0.166 176.371 176.117 0.147 0.000 0.999 18 I CA -1.000 60.354 61.300 0.090 0.000 1.129 18 I CB 0.732 38.808 38.000 0.126 0.000 1.288 18 I HN 0.865 nan 8.210 nan 0.000 0.444 19 A N 5.789 128.678 122.820 0.114 0.000 2.454 19 A HA 0.389 4.715 4.320 0.010 0.000 0.260 19 A C 1.111 178.752 177.584 0.094 0.000 1.106 19 A CA -0.144 51.957 52.037 0.107 0.000 0.780 19 A CB 0.433 19.486 19.000 0.088 0.000 1.044 19 A HN 0.725 nan 8.150 nan 0.000 0.498 20 V N 1.366 121.316 119.914 0.060 0.000 3.125 20 V HA 0.272 4.398 4.120 0.010 0.000 0.249 20 V C 0.510 176.574 176.094 -0.050 0.000 1.113 20 V CA 0.340 62.608 62.300 -0.053 0.000 1.106 20 V CB -0.364 31.329 31.823 -0.216 0.000 0.768 20 V HN 0.604 nan 8.190 nan 0.000 0.468 21 I N 2.780 123.351 120.570 0.000 0.000 2.328 21 I HA 0.488 4.664 4.170 0.010 0.000 0.287 21 I C -0.119 176.009 176.117 0.019 0.000 1.012 21 I CA -0.760 60.542 61.300 0.003 0.000 1.195 21 I CB 1.232 39.234 38.000 0.004 0.000 1.350 21 I HN 0.219 nan 8.210 nan 0.000 0.464 22 K N 5.543 125.937 120.400 -0.010 0.000 2.350 22 K HA 0.097 4.423 4.320 0.010 0.000 0.279 22 K C -0.437 176.168 176.600 0.009 0.000 1.027 22 K CA -0.483 55.757 56.287 -0.078 0.000 0.969 22 K CB 0.967 33.275 32.500 -0.321 0.000 0.954 22 K HN 0.378 nan 8.250 nan 0.000 0.474 23 Y N 3.156 123.409 120.300 -0.079 0.000 2.393 23 Y HA 0.210 4.766 4.550 0.009 0.000 0.338 23 Y C -0.942 175.000 175.900 0.069 0.000 1.029 23 Y CA -0.982 57.108 58.100 -0.017 0.000 1.239 23 Y CB 0.573 39.103 38.460 0.116 0.000 1.170 23 Y HN 0.565 nan 8.280 nan 0.000 0.515 24 W N 7.737 128.820 121.300 -0.363 0.000 2.916 24 W HA 0.461 5.126 4.660 0.009 0.000 0.317 24 W C -1.087 175.301 176.519 -0.218 0.000 1.047 24 W CA -0.310 56.773 57.345 -0.437 0.000 1.234 24 W CB 1.263 30.591 29.460 -0.221 0.000 1.143 24 W HN 1.063 nan 8.180 nan 0.000 0.372 25 G N 3.663 112.118 108.800 -0.576 0.000 3.055 25 G HA2 -0.093 3.872 3.960 0.010 0.000 0.685 25 G HA3 -0.093 3.872 3.960 0.010 0.000 0.685 25 G C -1.578 173.267 174.900 -0.091 0.000 1.212 25 G CA -1.106 43.798 45.100 -0.327 0.000 0.822 25 G HN 0.304 nan 8.290 nan 0.000 0.610 26 K N 1.078 121.443 120.400 -0.057 0.000 2.138 26 K HA 0.503 4.829 4.320 0.010 0.000 0.263 26 K C 1.480 178.077 176.600 -0.005 0.000 0.965 26 K CA -0.676 55.632 56.287 0.034 0.000 0.868 26 K CB 1.931 34.469 32.500 0.063 0.000 1.083 26 K HN 0.697 nan 8.250 nan 0.000 0.443 27 R N 0.139 120.638 120.500 -0.002 0.000 2.210 27 R HA 0.057 4.403 4.340 0.010 0.000 0.203 27 R C -0.193 176.108 176.300 0.002 0.000 1.010 27 R CA 0.641 56.736 56.100 -0.008 0.000 1.008 27 R CB 0.318 30.606 30.300 -0.020 0.000 0.923 27 R HN 0.426 nan 8.270 nan 0.000 0.469 28 D N 0.829 121.238 120.400 0.016 0.000 2.479 28 D HA 0.106 4.752 4.640 0.010 0.000 0.246 28 D C -0.281 176.037 176.300 0.029 0.000 1.336 28 D CA -0.375 53.636 54.000 0.019 0.000 0.967 28 D CB 1.739 42.551 40.800 0.020 0.000 1.275 28 D HN 0.121 nan 8.370 nan 0.000 0.577 29 E N 1.620 121.831 120.200 0.018 0.000 2.208 29 E HA -0.069 4.286 4.350 0.010 0.000 0.193 29 E C 1.596 178.205 176.600 0.015 0.000 0.988 29 E CA 0.757 57.168 56.400 0.018 0.000 0.828 29 E CB 0.389 30.091 29.700 0.004 0.000 0.763 29 E HN 0.522 nan 8.360 nan 0.000 0.478 30 A N 0.966 123.792 122.820 0.011 0.000 1.874 30 A HA -0.036 4.289 4.320 0.010 0.000 0.214 30 A C 2.009 179.595 177.584 0.004 0.000 1.189 30 A CA 0.741 52.780 52.037 0.004 0.000 0.615 30 A CB -0.274 18.727 19.000 0.002 0.000 0.830 30 A HN 0.127 nan 8.150 nan 0.000 0.443 31 L N 0.048 121.279 121.223 0.014 0.000 2.591 31 L HA 0.129 4.474 4.340 0.010 0.000 0.228 31 L C -0.328 176.564 176.870 0.037 0.000 1.133 31 L CA -0.312 54.539 54.840 0.017 0.000 0.880 31 L CB -0.005 42.068 42.059 0.023 0.000 1.033 31 L HN 0.255 nan 8.230 nan 0.000 0.450 32 I N 0.878 121.481 120.570 0.055 0.000 7.004 32 I HA -0.248 3.927 4.170 0.010 0.000 0.126 32 I C -0.488 175.752 176.117 0.206 0.000 1.826 32 I CA 0.933 62.301 61.300 0.113 0.000 2.066 32 I CB -2.111 35.924 38.000 0.058 0.000 3.565 32 I HN 0.134 nan 8.210 nan 0.000 0.178 33 L N 4.835 126.146 121.223 0.146 0.000 2.322 33 L HA 0.648 4.993 4.340 0.010 0.000 0.281 33 L C -2.011 174.871 176.870 0.020 0.000 1.014 33 L CA -1.547 53.361 54.840 0.113 0.000 0.815 33 L CB 2.339 44.430 42.059 0.054 0.000 1.247 33 L HN 0.056 nan 8.230 nan 0.000 0.421 34 P HA 0.266 nan 4.420 nan 0.000 0.283 34 P C 0.642 177.847 177.300 -0.158 0.000 1.271 34 P CA -0.672 62.304 63.100 -0.207 0.000 0.841 34 P CB 1.609 32.872 31.700 -0.727 0.000 1.122 35 I N -1.273 119.250 120.570 -0.079 0.000 3.111 35 I HA 0.020 4.196 4.170 0.010 0.000 0.272 35 I C -0.050 176.011 176.117 -0.094 0.000 1.268 35 I CA 0.473 61.732 61.300 -0.069 0.000 1.467 35 I CB -0.818 37.165 38.000 -0.029 0.000 1.087 35 I HN 0.318 nan 8.210 nan 0.000 0.467 36 N N -0.751 117.868 118.700 -0.136 0.000 2.708 36 N HA 0.356 5.102 4.740 0.010 0.000 0.257 36 N C -1.010 174.345 175.510 -0.258 0.000 1.373 36 N CA -0.762 52.198 53.050 -0.150 0.000 0.843 36 N CB 1.338 39.778 38.487 -0.079 0.000 1.503 36 N HN -0.070 nan 8.380 nan 0.000 0.504 37 S N -0.030 115.538 115.700 -0.221 0.000 2.600 37 S HA 0.631 5.106 4.470 0.010 0.000 0.265 37 S C -0.254 174.262 174.600 -0.139 0.000 1.325 37 S CA -0.457 57.598 58.200 -0.243 0.000 1.002 37 S CB 0.216 63.334 63.200 -0.137 0.000 0.921 37 S HN 0.769 nan 8.310 nan 0.000 0.554 38 S N 0.548 116.207 115.700 -0.068 0.000 2.661 38 S HA 0.809 5.285 4.470 0.010 0.000 0.285 38 S C -1.211 173.450 174.600 0.101 0.000 1.138 38 S CA -0.917 57.310 58.200 0.046 0.000 0.855 38 S CB 1.225 64.504 63.200 0.132 0.000 1.136 38 S HN 0.623 nan 8.310 nan 0.000 0.484 39 L N 1.635 122.921 121.223 0.105 0.000 2.493 39 L HA 0.722 5.068 4.340 0.010 0.000 0.265 39 L C -1.079 175.872 176.870 0.135 0.000 0.954 39 L CA -0.129 54.784 54.840 0.122 0.000 0.844 39 L CB 2.109 44.228 42.059 0.100 0.000 1.302 39 L HN 1.158 nan 8.230 nan 0.000 0.405 40 S N 2.702 118.493 115.700 0.152 0.000 2.627 40 S HA 0.797 5.273 4.470 0.010 0.000 0.283 40 S C -1.113 173.560 174.600 0.122 0.000 1.127 40 S CA -0.801 57.483 58.200 0.139 0.000 0.863 40 S CB 2.159 65.425 63.200 0.109 0.000 1.121 40 S HN 0.275 nan 8.310 nan 0.000 0.479 41 V N 1.886 121.861 119.914 0.102 0.000 2.370 41 V HA 0.439 4.565 4.120 0.010 0.000 0.283 41 V C 0.078 176.122 176.094 -0.083 0.000 1.023 41 V CA -0.536 61.728 62.300 -0.059 0.000 0.857 41 V CB 1.308 33.200 31.823 0.116 0.000 0.985 41 V HN 1.022 nan 8.190 nan 0.000 0.443 42 T N 7.069 121.516 114.554 -0.179 0.000 2.814 42 T HA 0.431 4.787 4.350 0.010 0.000 0.297 42 T C 0.075 174.687 174.700 -0.145 0.000 0.956 42 T CA 0.001 62.017 62.100 -0.140 0.000 1.123 42 T CB 0.140 68.921 68.868 -0.145 0.000 0.902 42 T HN 0.335 nan 8.240 nan 0.000 0.528 43 L N 2.602 123.758 121.223 -0.113 0.000 2.399 43 L HA 0.351 4.697 4.340 0.010 0.000 0.265 43 L C 0.984 177.817 176.870 -0.063 0.000 1.089 43 L CA -1.120 53.667 54.840 -0.088 0.000 0.802 43 L CB 0.493 42.494 42.059 -0.097 0.000 1.180 43 L HN 0.580 nan 8.230 nan 0.000 0.454 44 H N 1.564 120.594 119.070 -0.066 0.000 2.848 44 H HA 0.027 4.589 4.556 0.009 0.000 0.317 44 H C 0.457 175.770 175.328 -0.025 0.000 1.046 44 H CA 0.376 56.401 56.048 -0.039 0.000 1.470 44 H CB 1.222 30.968 29.762 -0.026 0.000 1.483 44 H HN 0.592 nan 8.280 nan 0.000 0.548 45 Q N 2.670 122.493 119.800 0.039 0.000 2.368 45 Q HA -0.137 4.209 4.340 0.010 0.000 0.210 45 Q C 0.958 177.071 176.000 0.188 0.000 0.982 45 Q CA 1.221 57.081 55.803 0.096 0.000 0.884 45 Q CB 0.322 29.055 28.738 -0.008 0.000 0.933 45 Q HN 0.636 nan 8.270 nan 0.000 0.460 46 D N -0.102 120.524 120.400 0.377 0.000 2.263 46 D HA -0.131 4.515 4.640 0.010 0.000 0.208 46 D C 1.318 177.654 176.300 0.061 0.000 0.971 46 D CA 1.062 55.142 54.000 0.132 0.000 0.867 46 D CB 0.254 41.019 40.800 -0.058 0.000 0.929 46 D HN 0.262 nan 8.370 nan 0.000 0.492 47 Q N -0.960 118.890 119.800 0.082 0.000 2.511 47 Q HA 0.351 4.697 4.340 0.010 0.000 0.236 47 Q C 0.087 176.135 176.000 0.080 0.000 0.893 47 Q CA 0.386 56.219 55.803 0.049 0.000 0.947 47 Q CB 1.181 29.931 28.738 0.021 0.000 1.110 47 Q HN 0.106 nan 8.270 nan 0.000 0.591 48 L N 1.584 122.872 121.223 0.108 0.000 2.438 48 L HA 0.573 4.919 4.340 0.010 0.000 0.270 48 L C -1.162 175.860 176.870 0.254 0.000 0.972 48 L CA -0.764 54.195 54.840 0.197 0.000 0.831 48 L CB 2.032 44.137 42.059 0.077 0.000 1.273 48 L HN -0.021 nan 8.230 nan 0.000 0.405 49 K N 0.850 121.485 120.400 0.393 0.000 2.568 49 K HA 0.607 4.933 4.320 0.010 0.000 0.273 49 K C -1.460 175.192 176.600 0.087 0.000 0.951 49 K CA -0.711 55.722 56.287 0.243 0.000 0.854 49 K CB 2.126 34.667 32.500 0.069 0.000 1.424 49 K HN 0.255 nan 8.250 nan 0.000 0.427 50 T N 1.913 116.522 114.554 0.091 0.000 2.837 50 T HA 0.350 4.706 4.350 0.010 0.000 0.285 50 T C -0.723 173.937 174.700 -0.066 0.000 0.984 50 T CA -0.200 61.847 62.100 -0.089 0.000 1.049 50 T CB 1.287 70.157 68.868 0.004 0.000 0.947 50 T HN 0.528 nan 8.240 nan 0.000 0.472 51 T N 3.262 117.760 114.554 -0.095 0.000 2.823 51 T HA 0.599 4.954 4.350 0.010 0.000 0.279 51 T C -0.234 174.445 174.700 -0.036 0.000 0.998 51 T CA -0.598 61.467 62.100 -0.058 0.000 0.994 51 T CB 1.310 70.139 68.868 -0.065 0.000 0.960 51 T HN 0.511 nan 8.240 nan 0.000 0.448 52 T N 2.607 117.160 114.554 -0.001 0.000 2.881 52 T HA 0.513 4.868 4.350 0.010 0.000 0.290 52 T C -0.396 174.335 174.700 0.052 0.000 1.000 52 T CA -0.591 61.521 62.100 0.020 0.000 0.978 52 T CB 1.599 70.481 68.868 0.024 0.000 0.997 52 T HN 0.497 nan 8.240 nan 0.000 0.443 53 T N 2.690 117.279 114.554 0.058 0.000 2.794 53 T HA 0.598 4.954 4.350 0.010 0.000 0.280 53 T C -0.344 174.392 174.700 0.059 0.000 0.987 53 T CA -0.509 61.635 62.100 0.073 0.000 0.993 53 T CB 1.094 70.009 68.868 0.079 0.000 0.939 53 T HN 0.337 nan 8.240 nan 0.000 0.449 54 V N 2.599 122.537 119.914 0.041 0.000 2.495 54 V HA 0.813 4.939 4.120 0.010 0.000 0.298 54 V C -0.058 176.039 176.094 0.005 0.000 1.031 54 V CA -0.871 61.455 62.300 0.043 0.000 0.871 54 V CB 1.507 33.346 31.823 0.027 0.000 0.988 54 V HN 1.068 nan 8.190 nan 0.000 0.432 55 A N 5.425 128.288 122.820 0.071 0.000 2.355 55 A HA 0.910 5.236 4.320 0.010 0.000 0.317 55 A C -1.000 176.691 177.584 0.178 0.000 1.094 55 A CA -0.559 51.528 52.037 0.084 0.000 0.764 55 A CB 1.273 20.370 19.000 0.161 0.000 1.230 55 A HN 0.853 nan 8.150 nan 0.000 0.448 56 I N 1.396 121.957 120.570 -0.015 0.000 2.509 56 I HA 0.706 4.882 4.170 0.010 0.000 0.293 56 I C -0.325 175.525 176.117 -0.444 0.000 1.020 56 I CA -0.006 61.236 61.300 -0.098 0.000 1.088 56 I CB 1.868 39.794 38.000 -0.123 0.000 1.267 56 I HN 0.682 nan 8.210 nan 0.000 0.430 57 S N 3.999 119.238 115.700 -0.768 0.000 2.552 57 S HA 0.476 4.951 4.470 0.010 0.000 0.272 57 S C 0.373 174.225 174.600 -1.247 0.000 1.150 57 S CA 0.072 57.563 58.200 -1.182 0.000 0.849 57 S CB 1.710 63.921 63.200 -1.647 0.000 1.113 57 S HN 0.717 nan 8.310 nan 0.000 0.458 58 K N 1.376 121.038 120.400 -1.229 0.000 2.148 58 K HA -0.039 4.287 4.320 0.010 0.000 0.204 58 K C 1.126 177.528 176.600 -0.330 0.000 1.050 58 K CA 2.163 58.054 56.287 -0.661 0.000 0.942 58 K CB -1.083 31.245 32.500 -0.287 0.000 0.724 58 K HN 0.753 nan 8.250 nan 0.000 0.446 59 D N -0.341 119.803 120.400 -0.426 0.000 2.263 59 D HA -0.015 4.631 4.640 0.010 0.000 0.208 59 D C -0.152 176.143 176.300 -0.009 0.000 0.971 59 D CA 0.385 54.252 54.000 -0.221 0.000 0.867 59 D CB -0.254 40.394 40.800 -0.254 0.000 0.929 59 D HN 0.406 nan 8.370 nan 0.000 0.492 60 F N 0.761 120.615 119.950 -0.159 0.000 2.472 60 F HA 0.124 4.658 4.527 0.010 0.000 0.364 60 F C 1.893 177.707 175.800 0.024 0.000 1.090 60 F CA -0.769 57.182 58.000 -0.082 0.000 1.188 60 F CB 0.925 39.804 39.000 -0.202 0.000 1.105 60 F HN -0.275 nan 8.300 nan 0.000 0.536 61 T N 0.835 115.549 114.554 0.265 0.000 3.054 61 T HA 0.027 4.383 4.350 0.010 0.000 0.259 61 T C 0.281 175.077 174.700 0.160 0.000 1.092 61 T CA 0.612 62.815 62.100 0.172 0.000 1.121 61 T CB -0.187 68.755 68.868 0.124 0.000 0.912 61 T HN 0.653 nan 8.240 nan 0.000 0.489 62 E N 0.637 120.949 120.200 0.188 0.000 2.390 62 E HA 0.296 4.652 4.350 0.010 0.000 0.277 62 E C -1.864 174.817 176.600 0.135 0.000 0.939 62 E CA -0.797 55.676 56.400 0.123 0.000 0.769 62 E CB 0.807 30.538 29.700 0.050 0.000 1.251 62 E HN 0.009 nan 8.360 nan 0.000 0.450 63 D N 1.608 122.060 120.400 0.086 0.000 2.425 63 D HA 0.255 4.901 4.640 0.010 0.000 0.247 63 D C -0.268 175.966 176.300 -0.110 0.000 1.147 63 D CA 0.340 54.374 54.000 0.056 0.000 0.879 63 D CB 0.620 41.453 40.800 0.056 0.000 1.179 63 D HN 0.227 nan 8.370 nan 0.000 0.456 64 R N 1.716 122.083 120.500 -0.222 0.000 2.628 64 R HA 0.677 5.023 4.340 0.010 0.000 0.288 64 R C -0.674 175.329 176.300 -0.495 0.000 0.980 64 R CA -0.831 54.932 56.100 -0.561 0.000 0.891 64 R CB 2.432 32.160 30.300 -0.953 0.000 1.188 64 R HN 0.410 nan 8.270 nan 0.000 0.450 65 I N 1.839 122.009 120.570 -0.667 0.000 2.569 65 I HA 0.485 4.661 4.170 0.010 0.000 0.290 65 I C -1.318 174.495 176.117 -0.508 0.000 1.088 65 I CA -0.564 60.531 61.300 -0.341 0.000 1.047 65 I CB 1.747 39.646 38.000 -0.168 0.000 1.237 65 I HN 0.568 nan 8.210 nan 0.000 0.421 66 W N 7.671 128.914 121.300 -0.096 0.000 2.736 66 W HA 0.521 5.186 4.660 0.008 0.000 0.335 66 W C -1.383 175.091 176.519 -0.076 0.000 1.059 66 W CA -0.883 56.412 57.345 -0.083 0.000 1.226 66 W CB 2.159 31.570 29.460 -0.083 0.000 1.416 66 W HN 0.208 nan 8.180 nan 0.000 0.505 67 L N 4.466 125.766 121.223 0.129 0.000 2.376 67 L HA 0.380 4.726 4.340 0.010 0.000 0.275 67 L C 0.349 177.247 176.870 0.046 0.000 0.987 67 L CA -0.354 54.515 54.840 0.048 0.000 0.828 67 L CB 0.980 43.035 42.059 -0.007 0.000 1.249 67 L HN 0.532 nan 8.230 nan 0.000 0.409 68 N N 4.379 123.087 118.700 0.013 0.000 2.716 68 N HA -0.232 4.513 4.740 0.010 0.000 0.250 68 N C 0.967 176.492 175.510 0.024 0.000 1.033 68 N CA 1.340 54.387 53.050 -0.005 0.000 0.727 68 N CB -0.929 37.543 38.487 -0.025 0.000 0.950 68 N HN 1.283 nan 8.380 nan 0.000 0.541 69 G N -0.686 108.149 108.800 0.059 0.000 2.217 69 G HA2 -0.360 3.606 3.960 0.010 0.000 0.246 69 G HA3 -0.360 3.606 3.960 0.010 0.000 0.246 69 G C 0.084 175.094 174.900 0.183 0.000 0.990 69 G CA 0.553 45.694 45.100 0.068 0.000 0.627 69 G HN 0.650 nan 8.290 nan 0.000 0.522 70 R N 1.196 121.801 120.500 0.175 0.000 2.294 70 R HA 0.539 4.885 4.340 0.010 0.000 0.319 70 R C 0.094 176.459 176.300 0.108 0.000 0.984 70 R CA -0.537 55.654 56.100 0.152 0.000 0.861 70 R CB 0.641 30.975 30.300 0.058 0.000 1.104 70 R HN 0.342 nan 8.270 nan 0.000 0.451 71 E N 2.779 122.973 120.200 -0.010 0.000 2.384 71 E HA -0.009 4.347 4.350 0.010 0.000 0.266 71 E C -0.780 175.639 176.600 -0.303 0.000 1.012 71 E CA 0.273 56.374 56.400 -0.499 0.000 0.901 71 E CB 0.754 30.066 29.700 -0.647 0.000 0.967 71 E HN 0.503 nan 8.360 nan 0.000 0.435 72 E N 2.444 122.438 120.200 -0.344 0.000 2.281 72 E HA 0.114 4.470 4.350 0.010 0.000 0.262 72 E C -1.146 175.324 176.600 -0.217 0.000 0.933 72 E CA -0.979 55.300 56.400 -0.202 0.000 0.809 72 E CB 1.139 30.758 29.700 -0.135 0.000 1.242 72 E HN 0.442 nan 8.360 nan 0.000 0.418 73 D N 1.507 121.826 120.400 -0.135 0.000 2.338 73 D HA -0.010 4.635 4.640 0.010 0.000 0.255 73 D C 1.067 177.308 176.300 -0.097 0.000 1.237 73 D CA -0.163 53.768 54.000 -0.114 0.000 0.883 73 D CB 1.226 41.985 40.800 -0.069 0.000 1.087 73 D HN 0.293 nan 8.370 nan 0.000 0.485 74 V N 2.574 122.418 119.914 -0.117 0.000 2.867 74 V HA 0.005 4.131 4.120 0.010 0.000 0.260 74 V C 1.826 177.902 176.094 -0.030 0.000 1.099 74 V CA 1.552 63.806 62.300 -0.076 0.000 1.122 74 V CB -0.867 30.907 31.823 -0.082 0.000 0.708 74 V HN 0.521 nan 8.190 nan 0.000 0.490 75 G N -0.837 107.944 108.800 -0.032 0.000 2.848 75 G HA2 0.015 3.981 3.960 0.010 0.000 0.208 75 G HA3 0.015 3.981 3.960 0.010 0.000 0.208 75 G C 0.669 175.568 174.900 -0.002 0.000 1.152 75 G CA -0.311 44.781 45.100 -0.014 0.000 0.789 75 G HN 0.618 nan 8.290 nan 0.000 0.531 76 Q N 0.482 120.284 119.800 0.004 0.000 2.308 76 Q HA 0.016 4.362 4.340 0.010 0.000 0.313 76 Q C -1.375 174.641 176.000 0.027 0.000 1.075 76 Q CA -0.924 54.892 55.803 0.022 0.000 0.995 76 Q CB 1.120 29.883 28.738 0.043 0.000 1.107 76 Q HN 0.102 nan 8.270 nan 0.000 0.380 77 P HA -0.219 nan 4.420 nan 0.000 0.216 77 P C 0.793 178.091 177.300 -0.002 0.000 1.153 77 P CA 1.239 64.342 63.100 0.006 0.000 0.858 77 P CB 0.281 31.982 31.700 0.001 0.000 0.789 78 R N -1.061 119.439 120.500 -0.001 0.000 2.075 78 R HA -0.037 4.309 4.340 0.010 0.000 0.232 78 R C 2.197 178.483 176.300 -0.022 0.000 1.126 78 R CA 0.812 56.871 56.100 -0.068 0.000 0.963 78 R CB -1.803 28.437 30.300 -0.101 0.000 0.858 78 R HN 0.238 nan 8.270 nan 0.000 0.435 79 L N 1.709 123.005 121.223 0.122 0.000 2.017 79 L HA -0.154 4.192 4.340 0.010 0.000 0.208 79 L C 2.199 179.128 176.870 0.097 0.000 1.073 79 L CA 1.809 56.763 54.840 0.190 0.000 0.745 79 L CB -0.570 41.581 42.059 0.153 0.000 0.894 79 L HN 0.046 nan 8.230 nan 0.000 0.432 80 Q N -0.142 119.688 119.800 0.050 0.000 2.096 80 Q HA -0.191 4.155 4.340 0.010 0.000 0.204 80 Q C 2.307 178.315 176.000 0.014 0.000 0.982 80 Q CA 1.892 57.712 55.803 0.028 0.000 0.850 80 Q CB -0.786 27.961 28.738 0.014 0.000 0.901 80 Q HN 0.682 nan 8.270 nan 0.000 0.422 81 A N 0.246 123.063 122.820 -0.006 0.000 1.902 81 A HA -0.197 4.128 4.320 0.010 0.000 0.217 81 A C 2.527 180.095 177.584 -0.027 0.000 1.181 81 A CA 1.541 53.561 52.037 -0.028 0.000 0.623 81 A CB -1.197 17.769 19.000 -0.056 0.000 0.818 81 A HN 0.524 nan 8.150 nan 0.000 0.443 82 C N -0.523 118.768 119.300 -0.015 0.000 2.432 82 C HA -0.040 4.426 4.460 0.010 0.000 0.277 82 C C 2.633 177.649 174.990 0.043 0.000 1.249 82 C CA 1.199 60.230 59.018 0.020 0.000 1.725 82 C CB -1.551 26.258 27.740 0.115 0.000 2.028 82 C HN 0.594 nan 8.230 nan 0.000 0.477 83 L N 0.402 121.662 121.223 0.061 0.000 2.046 83 L HA -0.146 4.200 4.340 0.010 0.000 0.208 83 L C 2.924 179.793 176.870 -0.002 0.000 1.077 83 L CA 2.017 56.889 54.840 0.054 0.000 0.747 83 L CB -0.787 41.315 42.059 0.071 0.000 0.896 83 L HN 0.412 nan 8.230 nan 0.000 0.432 84 R N 0.217 120.712 120.500 -0.008 0.000 2.073 84 R HA -0.243 4.103 4.340 0.010 0.000 0.234 84 R C 2.276 178.547 176.300 -0.049 0.000 1.134 84 R CA 1.829 57.911 56.100 -0.030 0.000 0.952 84 R CB -0.100 30.188 30.300 -0.020 0.000 0.850 84 R HN 0.152 nan 8.270 nan 0.000 0.433 85 E N 0.524 120.701 120.200 -0.039 0.000 2.077 85 E HA -0.181 4.175 4.350 0.010 0.000 0.193 85 E C 1.705 178.268 176.600 -0.062 0.000 0.989 85 E CA 1.262 57.636 56.400 -0.044 0.000 0.800 85 E CB -0.299 29.380 29.700 -0.034 0.000 0.746 85 E HN 0.364 nan 8.360 nan 0.000 0.452 86 I N 0.497 121.029 120.570 -0.063 0.000 2.252 86 I HA -0.174 4.001 4.170 0.010 0.000 0.245 86 I C 2.152 178.124 176.117 -0.243 0.000 1.102 86 I CA 1.332 62.573 61.300 -0.097 0.000 1.385 86 I CB -0.159 37.828 38.000 -0.021 0.000 1.064 86 I HN 0.016 nan 8.210 nan 0.000 0.414 87 R N -0.450 119.877 120.500 -0.288 0.000 2.092 87 R HA -0.139 4.207 4.340 0.010 0.000 0.231 87 R C 2.488 178.650 176.300 -0.230 0.000 1.119 87 R CA 1.257 57.126 56.100 -0.386 0.000 0.970 87 R CB -0.391 29.746 30.300 -0.272 0.000 0.864 87 R HN 0.315 nan 8.270 nan 0.000 0.440 88 R N 0.960 121.375 120.500 -0.142 0.000 2.083 88 R HA -0.131 4.215 4.340 0.010 0.000 0.237 88 R C 2.151 178.398 176.300 -0.089 0.000 1.137 88 R CA 1.446 57.490 56.100 -0.094 0.000 0.951 88 R CB -0.262 30.000 30.300 -0.063 0.000 0.851 88 R HN 0.198 nan 8.270 nan 0.000 0.434 89 L N 0.063 121.232 121.223 -0.092 0.000 2.093 89 L HA -0.114 4.231 4.340 0.010 0.000 0.208 89 L C 2.725 179.551 176.870 -0.073 0.000 1.085 89 L CA 1.122 55.922 54.840 -0.067 0.000 0.755 89 L CB -0.573 41.457 42.059 -0.049 0.000 0.904 89 L HN 0.312 nan 8.230 nan 0.000 0.435 90 A N 0.485 123.226 122.820 -0.132 0.000 1.883 90 A HA -0.254 4.072 4.320 0.010 0.000 0.217 90 A C 2.368 179.913 177.584 -0.065 0.000 1.186 90 A CA 1.862 53.832 52.037 -0.112 0.000 0.624 90 A CB -0.493 18.326 19.000 -0.302 0.000 0.822 90 A HN 0.297 nan 8.150 nan 0.000 0.444 91 R N -0.639 119.810 120.500 -0.086 0.000 2.096 91 R HA -0.078 4.268 4.340 0.010 0.000 0.235 91 R C 2.283 178.561 176.300 -0.036 0.000 1.127 91 R CA 1.663 57.730 56.100 -0.054 0.000 0.968 91 R CB -0.240 30.024 30.300 -0.060 0.000 0.861 91 R HN 0.560 nan 8.270 nan 0.000 0.440 92 K N -0.015 120.363 120.400 -0.037 0.000 2.097 92 K HA -0.157 4.168 4.320 0.010 0.000 0.206 92 K C 2.560 179.151 176.600 -0.015 0.000 1.049 92 K CA 1.736 58.008 56.287 -0.024 0.000 0.933 92 K CB 0.034 32.520 32.500 -0.024 0.000 0.717 92 K HN 0.176 nan 8.250 nan 0.000 0.442 93 R N 0.706 121.199 120.500 -0.012 0.000 2.090 93 R HA 0.037 4.383 4.340 0.010 0.000 0.228 93 R C 1.801 178.101 176.300 -0.000 0.000 1.110 93 R CA 1.521 57.620 56.100 -0.002 0.000 0.973 93 R CB -1.455 28.848 30.300 0.005 0.000 0.869 93 R HN 0.361 nan 8.270 nan 0.000 0.440 105 S N 0.836 116.291 115.700 -0.408 0.000 2.489 105 S HA 0.236 4.712 4.470 0.010 0.000 0.228 105 S C 2.078 176.638 174.600 -0.067 0.000 0.995 105 S CA 2.032 60.000 58.200 -0.386 0.000 0.934 105 S CB -0.724 62.479 63.200 0.005 0.000 0.771 105 S HN 2.131 nan 8.310 nan 0.000 0.522 106 L N 1.946 123.144 121.223 -0.043 0.000 2.349 106 L HA 0.108 4.453 4.340 0.010 0.000 0.220 106 L C 2.788 179.661 176.870 0.005 0.000 1.130 106 L CA 2.036 56.885 54.840 0.015 0.000 0.791 106 L CB -2.011 40.025 42.059 -0.038 0.000 0.918 106 L HN 0.826 nan 8.230 nan 0.000 0.444 107 S N -3.741 111.913 115.700 -0.076 0.000 2.524 107 S HA 0.180 4.656 4.470 0.010 0.000 0.215 107 S C 0.619 175.282 174.600 0.105 0.000 0.986 107 S CA -0.488 57.700 58.200 -0.019 0.000 0.911 107 S CB -0.632 62.529 63.200 -0.064 0.000 0.805 107 S HN 0.669 nan 8.310 nan 0.000 0.501 108 Y N 2.821 123.180 120.300 0.097 0.000 2.425 108 Y HA 0.265 4.821 4.550 0.010 0.000 0.331 108 Y C 0.986 176.972 175.900 0.144 0.000 1.157 108 Y CA -0.927 57.225 58.100 0.086 0.000 1.372 108 Y CB 0.647 39.126 38.460 0.031 0.000 1.253 108 Y HN -0.019 nan 8.280 nan 0.000 0.536 109 K N 2.586 123.185 120.400 0.331 0.000 2.138 109 K HA 0.377 4.703 4.320 0.010 0.000 0.251 109 K C -0.437 176.374 176.600 0.352 0.000 1.015 109 K CA -0.419 56.049 56.287 0.301 0.000 0.917 109 K CB 1.372 34.043 32.500 0.285 0.000 1.021 109 K HN 0.511 nan 8.250 nan 0.000 0.485 110 V N -1.706 118.406 119.914 0.330 0.000 2.769 110 V HA 0.456 4.582 4.120 0.010 0.000 0.312 110 V C -0.446 175.861 176.094 0.356 0.000 1.061 110 V CA -0.895 61.602 62.300 0.329 0.000 0.931 110 V CB 1.674 33.629 31.823 0.220 0.000 1.010 110 V HN 0.698 nan 8.190 nan 0.000 0.433 111 H N 1.575 120.673 119.070 0.048 0.000 2.481 111 H HA 0.753 5.315 4.556 0.010 0.000 0.333 111 H C -1.202 174.192 175.328 0.110 0.000 1.066 111 H CA -0.803 55.238 56.048 -0.011 0.000 1.209 111 H CB 2.304 31.892 29.762 -0.290 0.000 1.445 111 H HN 0.611 nan 8.280 nan 0.000 0.488 112 V N 2.520 122.598 119.914 0.273 0.000 2.531 112 V HA 0.548 4.674 4.120 0.010 0.000 0.301 112 V C -0.392 175.867 176.094 0.276 0.000 1.034 112 V CA -0.713 61.705 62.300 0.198 0.000 0.865 112 V CB 1.451 33.343 31.823 0.115 0.000 0.995 112 V HN 0.885 nan 8.190 nan 0.000 0.424 113 A N 3.274 126.200 122.820 0.177 0.000 2.356 113 A HA 0.901 5.226 4.320 0.010 0.000 0.310 113 A C -0.440 177.183 177.584 0.064 0.000 1.075 113 A CA -0.524 51.604 52.037 0.152 0.000 0.746 113 A CB 1.965 20.975 19.000 0.016 0.000 1.221 113 A HN 0.772 nan 8.150 nan 0.000 0.443 114 S N 0.801 116.530 115.700 0.047 0.000 2.536 114 S HA 0.791 5.266 4.470 0.010 0.000 0.287 114 S C -0.704 173.870 174.600 -0.043 0.000 1.101 114 S CA -0.046 58.146 58.200 -0.014 0.000 0.950 114 S CB 1.359 64.534 63.200 -0.041 0.000 1.056 114 S HN 1.956 nan 8.310 nan 0.000 0.481 115 V N 2.009 121.870 119.914 -0.087 0.000 3.078 115 V HA 0.905 5.030 4.120 0.010 0.000 0.311 115 V C -1.075 174.874 176.094 -0.242 0.000 1.138 115 V CA -1.121 61.100 62.300 -0.132 0.000 1.007 115 V CB 1.651 33.412 31.823 -0.103 0.000 1.045 115 V HN 1.018 nan 8.190 nan 0.000 0.432 116 N N 0.369 118.854 118.700 -0.359 0.000 2.647 116 N HA 0.534 5.279 4.740 0.010 0.000 0.266 116 N C -0.802 174.398 175.510 -0.517 0.000 1.373 116 N CA -0.494 52.146 53.050 -0.684 0.000 0.807 116 N CB 1.210 38.843 38.487 -1.424 0.000 1.513 116 N HN 0.731 nan 8.380 nan 0.000 0.505 117 N N -0.418 117.997 118.700 -0.475 0.000 2.458 117 N HA 0.226 4.972 4.740 0.010 0.000 0.274 117 N C -1.185 174.391 175.510 0.110 0.000 1.242 117 N CA -0.544 52.432 53.050 -0.123 0.000 0.904 117 N CB -0.478 37.994 38.487 -0.026 0.000 1.206 117 N HN 0.483 nan 8.380 nan 0.000 0.510 118 F N 0.536 120.492 119.950 0.010 0.000 2.370 118 F HA 0.489 5.020 4.527 0.008 0.000 0.319 118 F C -0.961 174.866 175.800 0.045 0.000 1.129 118 F CA -2.130 55.883 58.000 0.022 0.000 1.109 118 F CB 0.095 39.103 39.000 0.013 0.000 1.262 118 F HN -0.047 nan 8.300 nan 0.000 0.534 126 S N 1.181 116.893 115.700 0.019 0.000 2.355 126 S HA -0.139 4.337 4.470 0.010 0.000 0.222 126 S C 2.237 176.961 174.600 0.207 0.000 1.031 126 S CA 2.635 60.971 58.200 0.227 0.000 0.993 126 S CB -0.401 62.974 63.200 0.291 0.000 0.859 126 S HN 1.326 nan 8.310 nan 0.000 0.453 127 S N 1.308 117.103 115.700 0.159 0.000 2.428 127 S HA 0.193 4.668 4.470 0.010 0.000 0.230 127 S C 2.048 176.773 174.600 0.208 0.000 1.014 127 S CA 0.899 59.216 58.200 0.195 0.000 0.957 127 S CB -0.720 62.620 63.200 0.232 0.000 0.784 127 S HN 0.653 nan 8.310 nan 0.000 0.499 128 A N 2.391 125.289 122.820 0.130 0.000 1.858 128 A HA 0.306 4.631 4.320 0.010 0.000 0.216 128 A C 2.583 180.209 177.584 0.069 0.000 1.190 128 A CA 1.779 53.864 52.037 0.079 0.000 0.617 128 A CB -1.581 17.437 19.000 0.030 0.000 0.827 128 A HN 0.887 nan 8.150 nan 0.000 0.443 129 A N -0.634 122.231 122.820 0.075 0.000 1.972 129 A HA 0.155 4.481 4.320 0.010 0.000 0.219 129 A C 2.360 179.997 177.584 0.088 0.000 1.169 129 A CA 1.897 53.991 52.037 0.095 0.000 0.635 129 A CB -1.295 17.831 19.000 0.211 0.000 0.810 129 A HN 0.710 nan 8.150 nan 0.000 0.446 130 G N -1.577 107.273 108.800 0.083 0.000 2.414 130 G HA2 -0.192 3.773 3.960 0.010 0.000 0.215 130 G HA3 -0.192 3.773 3.960 0.010 0.000 0.215 130 G C 1.454 176.263 174.900 -0.152 0.000 1.188 130 G CA 1.174 46.239 45.100 -0.059 0.000 0.783 130 G HN 0.505 nan 8.290 nan 0.000 0.537 131 Y N 1.285 121.600 120.300 0.025 0.000 2.314 131 Y HA 0.178 4.734 4.550 0.010 0.000 0.293 131 Y C 3.062 178.956 175.900 -0.009 0.000 1.129 131 Y CA 0.458 58.560 58.100 0.003 0.000 1.201 131 Y CB -0.283 38.166 38.460 -0.018 0.000 0.999 131 Y HN 0.266 nan 8.280 nan 0.000 0.541 132 A N -1.280 121.604 122.820 0.108 0.000 1.902 132 A HA -0.235 4.091 4.320 0.010 0.000 0.217 132 A C 2.434 180.047 177.584 0.048 0.000 1.181 132 A CA 1.718 53.773 52.037 0.031 0.000 0.623 132 A CB -1.492 17.485 19.000 -0.039 0.000 0.818 132 A HN 0.575 nan 8.150 nan 0.000 0.443 133 C N -1.278 118.042 119.300 0.033 0.000 2.446 133 C HA -0.005 4.461 4.460 0.010 0.000 0.277 133 C C 2.510 177.554 174.990 0.090 0.000 1.275 133 C CA 1.161 60.209 59.018 0.050 0.000 1.727 133 C CB -1.334 26.413 27.740 0.012 0.000 2.010 133 C HN 0.619 nan 8.230 nan 0.000 0.486 134 L N 1.797 123.050 121.223 0.050 0.000 2.017 134 L HA 0.046 4.392 4.340 0.010 0.000 0.208 134 L C 2.622 179.565 176.870 0.121 0.000 1.073 134 L CA 2.567 57.445 54.840 0.064 0.000 0.745 134 L CB -1.054 41.013 42.059 0.013 0.000 0.894 134 L HN 0.324 nan 8.230 nan 0.000 0.432 135 A N -1.496 121.410 122.820 0.143 0.000 1.902 135 A HA -0.304 4.022 4.320 0.010 0.000 0.217 135 A C 2.329 179.988 177.584 0.124 0.000 1.181 135 A CA 1.963 54.076 52.037 0.127 0.000 0.623 135 A CB -1.243 17.818 19.000 0.102 0.000 0.818 135 A HN 0.628 nan 8.150 nan 0.000 0.443 136 Y N 1.112 121.418 120.300 0.010 0.000 2.200 136 Y HA -0.162 4.394 4.550 0.010 0.000 0.290 136 Y C 2.680 178.592 175.900 0.020 0.000 1.137 136 Y CA 2.299 60.397 58.100 -0.004 0.000 1.163 136 Y CB -0.460 37.980 38.460 -0.033 0.000 0.988 136 Y HN 0.321 nan 8.280 nan 0.000 0.518 137 T N 1.002 115.638 114.554 0.137 0.000 2.812 137 T HA -0.136 4.220 4.350 0.010 0.000 0.264 137 T C 2.013 176.723 174.700 0.015 0.000 1.042 137 T CA 1.592 63.728 62.100 0.061 0.000 1.140 137 T CB -0.520 68.408 68.868 0.100 0.000 0.870 137 T HN 0.270 nan 8.240 nan 0.000 0.445 138 L N 1.021 122.287 121.223 0.072 0.000 2.042 138 L HA -0.128 4.218 4.340 0.010 0.000 0.210 138 L C 3.077 180.041 176.870 0.156 0.000 1.076 138 L CA 1.309 56.232 54.840 0.139 0.000 0.749 138 L CB -0.747 41.448 42.059 0.227 0.000 0.893 138 L HN 0.243 nan 8.230 nan 0.000 0.432 139 A N -0.789 122.067 122.820 0.060 0.000 1.940 139 A HA -0.235 4.090 4.320 0.010 0.000 0.219 139 A C 2.290 179.841 177.584 -0.056 0.000 1.176 139 A CA 1.431 53.471 52.037 0.006 0.000 0.631 139 A CB -0.391 18.559 19.000 -0.083 0.000 0.814 139 A HN 0.412 nan 8.150 nan 0.000 0.446 140 Q N -0.288 119.420 119.800 -0.153 0.000 2.020 140 Q HA -0.131 4.215 4.340 0.010 0.000 0.202 140 Q C 2.400 178.353 176.000 -0.077 0.000 0.982 140 Q CA 1.814 57.530 55.803 -0.145 0.000 0.838 140 Q CB -0.864 27.776 28.738 -0.163 0.000 0.899 140 Q HN 0.503 nan 8.270 nan 0.000 0.423 141 V N -0.027 119.832 119.914 -0.091 0.000 2.295 141 V HA -0.242 3.883 4.120 0.010 0.000 0.246 141 V C 1.818 177.810 176.094 -0.170 0.000 1.049 141 V CA 1.691 63.894 62.300 -0.163 0.000 1.024 141 V CB -0.722 30.941 31.823 -0.266 0.000 0.648 141 V HN 0.289 nan 8.190 nan 0.000 0.447 142 Y N 0.624 120.919 120.300 -0.008 0.000 2.529 142 Y HA 0.376 4.932 4.550 0.010 0.000 0.290 142 Y C 1.912 177.801 175.900 -0.018 0.000 1.177 142 Y CA 0.313 58.410 58.100 -0.004 0.000 1.305 142 Y CB -0.440 38.020 38.460 -0.000 0.000 1.047 142 Y HN 0.365 nan 8.280 nan 0.000 0.522 143 G N 0.482 109.335 108.800 0.088 0.000 2.221 143 G HA2 -0.259 3.707 3.960 0.010 0.000 0.265 143 G HA3 -0.259 3.707 3.960 0.010 0.000 0.265 143 G C -0.276 174.644 174.900 0.034 0.000 1.041 143 G CA 0.241 45.365 45.100 0.040 0.000 0.807 143 G HN 0.127 nan 8.290 nan 0.000 0.502 144 V N 0.297 120.232 119.914 0.034 0.000 2.432 144 V HA 0.442 4.567 4.120 0.010 0.000 0.271 144 V C 0.720 176.810 176.094 -0.007 0.000 1.046 144 V CA -0.193 62.117 62.300 0.016 0.000 0.945 144 V CB 1.493 33.327 31.823 0.019 0.000 0.992 144 V HN 0.476 nan 8.190 nan 0.000 0.471 145 E N 2.622 122.824 120.200 0.003 0.000 2.254 145 E HA 0.680 5.036 4.350 0.010 0.000 0.261 145 E C 0.497 177.111 176.600 0.023 0.000 1.051 145 E CA 0.473 56.878 56.400 0.009 0.000 0.902 145 E CB 1.752 31.461 29.700 0.015 0.000 1.168 145 E HN 1.006 nan 8.360 nan 0.000 0.423 146 G N 1.784 110.609 108.800 0.041 0.000 2.698 146 G HA2 -0.250 3.715 3.960 0.010 0.000 0.225 146 G HA3 -0.250 3.715 3.960 0.010 0.000 0.225 146 G C -0.770 174.177 174.900 0.079 0.000 1.345 146 G CA -0.274 44.862 45.100 0.060 0.000 0.871 146 G HN 0.693 nan 8.290 nan 0.000 0.540 147 D N -0.368 120.091 120.400 0.097 0.000 2.458 147 D HA 0.345 4.991 4.640 0.010 0.000 0.243 147 D C 1.570 177.918 176.300 0.080 0.000 1.146 147 D CA 0.102 54.183 54.000 0.135 0.000 0.877 147 D CB 0.372 41.255 40.800 0.138 0.000 1.176 147 D HN 0.480 nan 8.370 nan 0.000 0.461 148 L N 2.853 124.116 121.223 0.065 0.000 2.728 148 L HA 0.106 4.452 4.340 0.010 0.000 0.238 148 L C 2.030 178.899 176.870 -0.002 0.000 1.143 148 L CA -0.275 54.579 54.840 0.024 0.000 0.937 148 L CB -0.032 42.041 42.059 0.022 0.000 1.225 148 L HN 0.340 nan 8.230 nan 0.000 0.507 149 S N 0.692 116.403 115.700 0.019 0.000 2.372 149 S HA -0.297 4.179 4.470 0.010 0.000 0.227 149 S C 1.882 176.430 174.600 -0.086 0.000 1.044 149 S CA 2.103 60.282 58.200 -0.035 0.000 1.050 149 S CB -0.091 63.118 63.200 0.015 0.000 0.901 149 S HN 0.551 nan 8.310 nan 0.000 0.447 150 E N 0.478 120.653 120.200 -0.042 0.000 2.106 150 E HA -0.123 4.233 4.350 0.010 0.000 0.192 150 E C 1.929 178.489 176.600 -0.066 0.000 0.984 150 E CA 1.072 57.441 56.400 -0.050 0.000 0.806 150 E CB -0.009 29.680 29.700 -0.017 0.000 0.750 150 E HN 0.329 nan 8.360 nan 0.000 0.458 151 V N 1.264 121.151 119.914 -0.045 0.000 2.261 151 V HA -0.262 3.864 4.120 0.010 0.000 0.246 151 V C 2.489 178.551 176.094 -0.054 0.000 1.047 151 V CA 1.910 64.189 62.300 -0.035 0.000 1.015 151 V CB -0.846 30.976 31.823 -0.001 0.000 0.642 151 V HN 0.439 nan 8.190 nan 0.000 0.446 152 A N -0.106 122.678 122.820 -0.060 0.000 1.898 152 A HA -0.238 4.088 4.320 0.010 0.000 0.216 152 A C 2.427 179.893 177.584 -0.197 0.000 1.181 152 A CA 1.947 53.942 52.037 -0.070 0.000 0.620 152 A CB -0.602 18.356 19.000 -0.069 0.000 0.819 152 A HN 0.458 nan 8.150 nan 0.000 0.442 153 R N -0.801 119.544 120.500 -0.258 0.000 2.105 153 R HA -0.139 4.206 4.340 0.010 0.000 0.239 153 R C 2.120 178.258 176.300 -0.271 0.000 1.135 153 R CA 1.246 57.127 56.100 -0.365 0.000 0.967 153 R CB -0.178 29.895 30.300 -0.379 0.000 0.861 153 R HN 0.302 nan 8.270 nan 0.000 0.442 154 R N -0.493 119.883 120.500 -0.207 0.000 2.148 154 R HA -0.033 4.312 4.340 0.010 0.000 0.227 154 R C 2.103 178.222 176.300 -0.301 0.000 1.103 154 R CA 1.256 57.247 56.100 -0.181 0.000 0.983 154 R CB -0.678 29.551 30.300 -0.119 0.000 0.874 154 R HN 0.414 nan 8.270 nan 0.000 0.451 155 G N -0.553 107.950 108.800 -0.495 0.000 2.395 155 G HA2 -0.107 3.859 3.960 0.010 0.000 0.214 155 G HA3 -0.107 3.859 3.960 0.010 0.000 0.214 155 G C 0.313 174.633 174.900 -0.966 0.000 1.177 155 G CA 0.478 44.874 45.100 -1.174 0.000 0.794 155 G HN 0.329 nan 8.290 nan 0.000 0.532 156 S N -1.954 113.427 115.700 -0.532 0.000 2.563 156 S HA 0.488 4.964 4.470 0.010 0.000 0.279 156 S C 1.063 175.522 174.600 -0.236 0.000 1.155 156 S CA 0.417 58.486 58.200 -0.218 0.000 0.928 156 S CB 1.059 64.257 63.200 -0.004 0.000 1.107 156 S HN 0.448 nan 8.310 nan 0.000 0.462 157 G N 2.454 111.133 108.800 -0.201 0.000 2.491 157 G HA2 -0.163 3.803 3.960 0.010 0.000 0.218 157 G HA3 -0.163 3.803 3.960 0.010 0.000 0.218 157 G C 1.329 175.608 174.900 -1.035 0.000 1.180 157 G CA 1.418 46.139 45.100 -0.633 0.000 0.774 157 G HN 0.762 nan 8.290 nan 0.000 0.562 158 S N 0.908 116.367 115.700 -0.401 0.000 2.507 158 S HA 0.157 4.632 4.470 0.010 0.000 0.235 158 S C 2.587 177.061 174.600 -0.211 0.000 0.988 158 S CA 0.798 58.867 58.200 -0.218 0.000 0.944 158 S CB -0.157 63.105 63.200 0.103 0.000 0.762 158 S HN 0.621 nan 8.310 nan 0.000 0.526 159 A N 1.129 123.823 122.820 -0.209 0.000 1.978 159 A HA -0.187 4.139 4.320 0.010 0.000 0.220 159 A C 2.468 179.942 177.584 -0.184 0.000 1.170 159 A CA 1.614 53.581 52.037 -0.117 0.000 0.636 159 A CB -1.406 17.582 19.000 -0.019 0.000 0.810 159 A HN 0.832 nan 8.150 nan 0.000 0.448 160 C N -0.768 118.327 119.300 -0.341 0.000 2.422 160 C HA -0.009 4.456 4.460 0.010 0.000 0.279 160 C C 2.477 177.373 174.990 -0.155 0.000 1.305 160 C CA 0.801 59.646 59.018 -0.287 0.000 1.757 160 C CB -1.482 25.999 27.740 -0.432 0.000 1.962 160 C HN 0.586 nan 8.230 nan 0.000 0.499 161 R N 1.317 121.733 120.500 -0.139 0.000 2.237 161 R HA -0.004 4.341 4.340 0.010 0.000 0.219 161 R C 2.090 178.379 176.300 -0.018 0.000 1.080 161 R CA 1.260 57.358 56.100 -0.004 0.000 0.995 161 R CB -0.361 29.962 30.300 0.039 0.000 0.875 161 R HN 0.537 nan 8.270 nan 0.000 0.462 162 S N 0.856 116.509 115.700 -0.078 0.000 2.603 162 S HA 0.142 4.618 4.470 0.010 0.000 0.220 162 S C 1.479 175.965 174.600 -0.189 0.000 0.967 162 S CA 0.226 58.363 58.200 -0.104 0.000 0.920 162 S CB 0.116 63.266 63.200 -0.082 0.000 0.773 162 S HN 0.228 nan 8.310 nan 0.000 0.529 163 L N -0.030 121.025 121.223 -0.280 0.000 2.492 163 L HA 0.157 4.503 4.340 0.010 0.000 0.223 163 L C -0.479 175.899 176.870 -0.819 0.000 1.132 163 L CA 0.598 55.104 54.840 -0.557 0.000 0.850 163 L CB 0.003 41.644 42.059 -0.698 0.000 0.966 163 L HN 0.280 nan 8.230 nan 0.000 0.454 164 Y N -0.860 119.401 120.300 -0.065 0.000 2.499 164 Y HA 0.585 5.141 4.550 0.010 0.000 0.347 164 Y C 0.804 176.650 175.900 -0.089 0.000 0.987 164 Y CA -1.280 56.785 58.100 -0.059 0.000 1.044 164 Y CB 1.157 39.596 38.460 -0.034 0.000 1.245 164 Y HN -0.177 nan 8.280 nan 0.000 0.461 165 G N 0.175 109.007 108.800 0.053 0.000 2.599 165 G HA2 0.446 4.412 3.960 0.010 0.000 0.264 165 G HA3 0.446 4.412 3.960 0.010 0.000 0.264 165 G C 0.609 175.464 174.900 -0.075 0.000 1.200 165 G CA 0.283 45.355 45.100 -0.047 0.000 0.896 165 G HN 1.218 nan 8.290 nan 0.000 0.536 166 G N -0.506 108.193 108.800 -0.169 0.000 2.536 166 G HA2 -0.167 3.799 3.960 0.010 0.000 0.277 166 G HA3 -0.167 3.799 3.960 0.010 0.000 0.277 166 G C -0.162 174.478 174.900 -0.433 0.000 1.155 166 G CA 0.377 45.318 45.100 -0.266 0.000 0.960 166 G HN 1.020 nan 8.290 nan 0.000 0.544 167 F N 0.545 120.485 119.950 -0.016 0.000 2.477 167 F HA 0.671 5.204 4.527 0.010 0.000 0.335 167 F C 0.228 176.031 175.800 0.005 0.000 1.130 167 F CA -0.804 57.209 58.000 0.021 0.000 0.948 167 F CB 2.502 41.517 39.000 0.024 0.000 1.154 167 F HN 0.322 nan 8.300 nan 0.000 0.439 168 V N 2.337 122.350 119.914 0.165 0.000 2.638 168 V HA 0.367 4.492 4.120 0.010 0.000 0.306 168 V C -0.608 175.564 176.094 0.131 0.000 1.052 168 V CA -0.988 61.384 62.300 0.121 0.000 0.885 168 V CB 1.981 33.883 31.823 0.130 0.000 0.999 168 V HN 0.756 nan 8.190 nan 0.000 0.424 169 E N 3.372 123.637 120.200 0.108 0.000 2.191 169 E HA 0.292 4.648 4.350 0.010 0.000 0.278 169 E C -1.479 175.241 176.600 0.200 0.000 0.972 169 E CA -0.714 55.761 56.400 0.125 0.000 0.804 169 E CB 1.320 31.062 29.700 0.070 0.000 1.110 169 E HN 0.652 nan 8.360 nan 0.000 0.394 170 W N 5.544 126.839 121.300 -0.008 0.000 2.311 170 W HA 0.225 4.890 4.660 0.009 0.000 0.317 170 W C -0.944 175.553 176.519 -0.038 0.000 1.065 170 W CA -1.011 56.314 57.345 -0.033 0.000 1.364 170 W CB 0.385 29.795 29.460 -0.082 0.000 1.233 170 W HN 0.522 nan 8.180 nan 0.000 0.409 171 Q N 6.639 126.573 119.800 0.223 0.000 2.296 171 Q HA 0.043 4.389 4.340 0.010 0.000 0.262 171 Q C 1.777 177.719 176.000 -0.097 0.000 0.981 171 Q CA -0.062 55.758 55.803 0.029 0.000 0.905 171 Q CB 1.262 30.033 28.738 0.055 0.000 1.186 171 Q HN 0.752 nan 8.270 nan 0.000 0.399 172 M N 0.919 120.370 119.600 -0.248 0.000 2.213 172 M HA 0.077 4.562 4.480 0.010 0.000 0.263 172 M C 0.770 176.989 176.300 -0.135 0.000 1.062 172 M CA 1.548 56.643 55.300 -0.341 0.000 1.105 172 M CB -0.277 32.144 32.600 -0.300 0.000 1.385 172 M HN 0.677 nan 8.290 nan 0.000 0.417 173 G N 0.769 109.531 108.800 -0.063 0.000 2.692 173 G HA2 -0.159 3.807 3.960 0.010 0.000 0.686 173 G HA3 -0.159 3.807 3.960 0.010 0.000 0.686 173 G C -0.374 174.510 174.900 -0.027 0.000 1.243 173 G CA -0.113 44.978 45.100 -0.015 0.000 0.782 173 G HN 0.584 nan 8.290 nan 0.000 0.625 174 E N 0.026 120.218 120.200 -0.014 0.000 2.473 174 E HA 0.055 4.411 4.350 0.010 0.000 0.204 174 E C 0.896 177.491 176.600 -0.008 0.000 0.994 174 E CA 0.142 56.532 56.400 -0.016 0.000 0.945 174 E CB 0.465 30.157 29.700 -0.014 0.000 0.990 174 E HN 0.620 nan 8.360 nan 0.000 0.493 175 Q N 0.210 120.010 119.800 -0.000 0.000 2.256 175 Q HA 0.375 4.721 4.340 0.010 0.000 0.254 175 Q C 0.611 176.614 176.000 0.005 0.000 0.916 175 Q CA -0.294 55.511 55.803 0.003 0.000 0.932 175 Q CB 1.639 30.382 28.738 0.008 0.000 1.207 175 Q HN 0.084 nan 8.270 nan 0.000 0.426 176 A N 2.772 125.594 122.820 0.003 0.000 2.019 176 A HA -0.199 4.126 4.320 0.010 0.000 0.219 176 A C 1.308 178.896 177.584 0.008 0.000 1.164 176 A CA 1.803 53.842 52.037 0.004 0.000 0.644 176 A CB -0.311 18.690 19.000 0.002 0.000 0.805 176 A HN 0.896 nan 8.150 nan 0.000 0.449 177 D N -1.722 118.683 120.400 0.008 0.000 2.363 177 D HA 0.204 4.850 4.640 0.010 0.000 0.226 177 D C 1.253 177.562 176.300 0.016 0.000 1.020 177 D CA 0.922 54.928 54.000 0.009 0.000 0.892 177 D CB -0.845 39.959 40.800 0.006 0.000 0.900 177 D HN 0.700 nan 8.370 nan 0.000 0.531 178 G N 0.800 109.614 108.800 0.023 0.000 2.196 178 G HA2 -0.398 3.568 3.960 0.010 0.000 0.268 178 G HA3 -0.398 3.568 3.960 0.010 0.000 0.268 178 G C 1.222 176.149 174.900 0.045 0.000 0.975 178 G CA 0.632 45.757 45.100 0.040 0.000 0.648 178 G HN 0.382 nan 8.290 nan 0.000 0.538 179 K N 0.683 121.101 120.400 0.030 0.000 2.362 179 K HA -0.021 4.305 4.320 0.010 0.000 0.200 179 K C 1.734 178.357 176.600 0.038 0.000 1.046 179 K CA 1.438 57.742 56.287 0.028 0.000 0.952 179 K CB -0.041 32.469 32.500 0.018 0.000 0.753 179 K HN 0.738 nan 8.250 nan 0.000 0.466 180 D N -0.867 119.558 120.400 0.041 0.000 2.363 180 D HA -0.029 4.617 4.640 0.010 0.000 0.214 180 D C 0.026 176.372 176.300 0.077 0.000 1.093 180 D CA -0.088 53.940 54.000 0.046 0.000 0.837 180 D CB 0.109 40.925 40.800 0.027 0.000 0.948 180 D HN -0.274 nan 8.370 nan 0.000 0.507 181 S N 0.885 116.652 115.700 0.112 0.000 3.036 181 S HA 0.460 4.936 4.470 0.010 0.000 0.301 181 S C 0.217 174.988 174.600 0.286 0.000 1.205 181 S CA -0.736 57.599 58.200 0.224 0.000 0.999 181 S CB -1.049 62.307 63.200 0.259 0.000 1.337 181 S HN 0.376 nan 8.310 nan 0.000 0.515 182 I N 0.323 121.055 120.570 0.270 0.000 3.191 182 I HA 0.900 5.076 4.170 0.010 0.000 0.313 182 I C -0.502 175.733 176.117 0.198 0.000 1.193 182 I CA -1.665 59.730 61.300 0.159 0.000 0.968 182 I CB 1.655 39.713 38.000 0.097 0.000 1.262 182 I HN 0.363 nan 8.210 nan 0.000 0.456 183 A N 2.041 124.939 122.820 0.130 0.000 2.304 183 A HA 0.813 5.138 4.320 0.010 0.000 0.301 183 A C -0.280 177.325 177.584 0.035 0.000 1.132 183 A CA -0.576 51.556 52.037 0.158 0.000 0.819 183 A CB 1.121 20.261 19.000 0.232 0.000 1.094 183 A HN 0.688 nan 8.150 nan 0.000 0.492 184 R N 1.369 121.842 120.500 -0.045 0.000 2.621 184 R HA 0.407 4.753 4.340 0.010 0.000 0.284 184 R C -0.801 175.382 176.300 -0.196 0.000 0.998 184 R CA -0.611 55.354 56.100 -0.224 0.000 0.895 184 R CB 1.551 31.782 30.300 -0.115 0.000 1.195 184 R HN 1.051 nan 8.270 nan 0.000 0.450 185 Q N 3.494 123.098 119.800 -0.326 0.000 2.297 185 Q HA 0.147 4.493 4.340 0.010 0.000 0.267 185 Q C 0.529 176.468 176.000 -0.102 0.000 1.006 185 Q CA -0.195 55.513 55.803 -0.158 0.000 0.896 185 Q CB 0.751 29.385 28.738 -0.173 0.000 1.186 185 Q HN 0.675 nan 8.270 nan 0.000 0.392 186 I N 2.239 122.788 120.570 -0.035 0.000 2.494 186 I HA 0.175 4.350 4.170 0.010 0.000 0.250 186 I C 0.641 176.679 176.117 -0.133 0.000 1.112 186 I CA 0.842 62.106 61.300 -0.059 0.000 1.438 186 I CB -0.836 37.159 38.000 -0.009 0.000 1.111 186 I HN 0.632 nan 8.210 nan 0.000 0.431 187 A N 1.537 124.306 122.820 -0.085 0.000 2.589 187 A HA 0.684 5.009 4.320 0.010 0.000 0.296 187 A C -2.748 174.784 177.584 -0.088 0.000 1.062 187 A CA -0.898 51.011 52.037 -0.213 0.000 0.686 187 A CB 1.468 20.156 19.000 -0.519 0.000 1.282 187 A HN -0.150 nan 8.150 nan 0.000 0.404 188 P HA 0.221 nan 4.420 nan 0.000 0.279 188 P C 0.247 177.286 177.300 -0.436 0.000 1.276 188 P CA -0.135 62.584 63.100 -0.637 0.000 0.801 188 P CB 0.739 31.468 31.700 -1.619 0.000 1.127 189 E N 0.516 120.478 120.200 -0.397 0.000 2.338 189 E HA -0.149 4.207 4.350 0.010 0.000 0.197 189 E C 1.252 177.933 176.600 0.135 0.000 1.007 189 E CA 1.180 57.538 56.400 -0.069 0.000 0.849 189 E CB -0.920 28.770 29.700 -0.016 0.000 0.774 189 E HN 0.642 nan 8.360 nan 0.000 0.506 190 W N 0.277 121.703 121.300 0.210 0.000 3.256 190 W HA 0.251 4.916 4.660 0.009 0.000 0.269 190 W C 1.692 178.351 176.519 0.234 0.000 1.310 190 W CA 0.000 57.459 57.345 0.190 0.000 1.673 190 W CB -0.698 28.842 29.460 0.134 0.000 1.115 190 W HN 0.062 nan 8.180 nan 0.000 0.686 191 H N -0.795 118.309 119.070 0.057 0.000 2.389 191 H HA -0.128 4.434 4.556 0.009 0.000 0.299 191 H C 0.104 175.557 175.328 0.208 0.000 1.081 191 H CA 1.833 57.932 56.048 0.085 0.000 1.345 191 H CB -0.012 29.727 29.762 -0.038 0.000 1.393 191 H HN 0.169 nan 8.280 nan 0.000 0.520 192 W N 2.137 123.480 121.300 0.072 0.000 2.104 192 W HA 0.319 4.986 4.660 0.011 0.000 0.291 192 W C -2.280 174.293 176.519 0.089 0.000 0.936 192 W CA -3.052 54.288 57.345 -0.009 0.000 1.856 192 W CB 0.973 30.467 29.460 0.058 0.000 2.036 192 W HN 0.126 nan 8.180 nan 0.000 0.393 193 P HA -0.181 nan 4.420 nan 0.000 0.222 193 P C 0.856 178.248 177.300 0.152 0.000 1.147 193 P CA 1.559 64.793 63.100 0.224 0.000 0.790 193 P CB 0.478 32.291 31.700 0.188 0.000 0.780 194 Q N -0.815 119.096 119.800 0.184 0.000 2.435 194 Q HA 0.068 4.414 4.340 0.010 0.000 0.207 194 Q C 0.768 176.719 176.000 -0.082 0.000 0.956 194 Q CA 0.137 55.984 55.803 0.073 0.000 0.917 194 Q CB -0.668 28.149 28.738 0.132 0.000 0.997 194 Q HN 0.200 nan 8.270 nan 0.000 0.497 195 L N 1.541 122.637 121.223 -0.212 0.000 2.410 195 L HA 0.150 4.496 4.340 0.010 0.000 0.273 195 L C -0.376 176.403 176.870 -0.151 0.000 1.152 195 L CA 0.425 55.043 54.840 -0.371 0.000 0.855 195 L CB 0.407 42.088 42.059 -0.631 0.000 1.129 195 L HN -0.019 nan 8.230 nan 0.000 0.463 196 R N 4.733 125.158 120.500 -0.125 0.000 2.854 196 R HA 0.665 5.011 4.340 0.010 0.000 0.271 196 R C -1.339 174.878 176.300 -0.139 0.000 0.996 196 R CA -0.887 55.151 56.100 -0.102 0.000 0.961 196 R CB 1.776 32.019 30.300 -0.096 0.000 1.182 196 R HN 0.513 nan 8.270 nan 0.000 0.479 197 I N 1.908 122.353 120.570 -0.208 0.000 2.533 197 I HA 0.399 4.574 4.170 0.010 0.000 0.290 197 I C -0.687 175.264 176.117 -0.276 0.000 1.056 197 I CA -0.261 60.804 61.300 -0.392 0.000 1.057 197 I CB 1.836 39.539 38.000 -0.496 0.000 1.240 197 I HN 0.227 nan 8.210 nan 0.000 0.423 198 L N 6.495 127.552 121.223 -0.276 0.000 2.356 198 L HA 0.622 4.967 4.340 0.010 0.000 0.277 198 L C -0.698 176.044 176.870 -0.213 0.000 0.996 198 L CA -0.572 54.161 54.840 -0.178 0.000 0.822 198 L CB 1.629 43.641 42.059 -0.079 0.000 1.256 198 L HN 0.426 nan 8.230 nan 0.000 0.413 199 I N 4.249 124.701 120.570 -0.196 0.000 2.321 199 I HA 0.229 4.405 4.170 0.010 0.000 0.291 199 I C -0.711 175.268 176.117 -0.229 0.000 0.998 199 I CA -0.633 60.538 61.300 -0.215 0.000 1.227 199 I CB 1.499 39.387 38.000 -0.188 0.000 1.368 199 I HN 0.315 nan 8.210 nan 0.000 0.466 200 L N 8.140 129.216 121.223 -0.245 0.000 2.259 200 L HA 0.289 4.635 4.340 0.010 0.000 0.288 200 L C -0.065 176.613 176.870 -0.320 0.000 1.051 200 L CA -0.242 54.431 54.840 -0.280 0.000 0.824 200 L CB 1.118 43.042 42.059 -0.226 0.000 1.206 200 L HN 0.266 nan 8.230 nan 0.000 0.429 201 V N 4.858 124.496 119.914 -0.460 0.000 2.389 201 V HA 0.292 4.418 4.120 0.010 0.000 0.264 201 V C 0.434 176.308 176.094 -0.367 0.000 1.049 201 V CA -0.723 61.289 62.300 -0.480 0.000 0.932 201 V CB 1.269 32.572 31.823 -0.867 0.000 1.011 201 V HN 0.527 nan 8.190 nan 0.000 0.475 202 V N 3.224 123.004 119.914 -0.224 0.000 2.904 202 V HA 0.639 4.764 4.120 0.010 0.000 0.305 202 V C 0.623 176.656 176.094 -0.102 0.000 1.067 202 V CA -0.584 61.620 62.300 -0.161 0.000 1.044 202 V CB 1.476 33.228 31.823 -0.119 0.000 1.050 202 V HN 0.886 nan 8.190 nan 0.000 0.475 203 S N 2.377 118.042 115.700 -0.058 0.000 2.568 203 S HA 0.508 4.984 4.470 0.010 0.000 0.282 203 S C 0.558 175.154 174.600 -0.006 0.000 1.338 203 S CA -0.156 58.035 58.200 -0.015 0.000 1.045 203 S CB 0.276 63.483 63.200 0.012 0.000 0.873 203 S HN 2.065 nan 8.310 nan 0.000 0.516 204 A N 1.471 124.297 122.820 0.010 0.000 2.561 204 A HA 0.359 4.685 4.320 0.010 0.000 0.234 204 A C 0.301 177.895 177.584 0.016 0.000 1.055 204 A CA 0.182 52.229 52.037 0.017 0.000 0.756 204 A CB -0.278 18.738 19.000 0.027 0.000 0.986 204 A HN 0.904 nan 8.150 nan 0.000 0.505 205 D N 0.012 120.424 120.400 0.020 0.000 2.596 205 D HA 0.440 5.086 4.640 0.010 0.000 0.234 205 D C -0.454 175.864 176.300 0.029 0.000 1.181 205 D CA -0.125 53.887 54.000 0.020 0.000 0.856 205 D CB 1.570 42.380 40.800 0.016 0.000 1.498 205 D HN 0.578 nan 8.370 nan 0.000 0.446 206 K N 1.251 121.666 120.400 0.025 0.000 2.448 206 K HA 0.259 4.585 4.320 0.010 0.000 0.278 206 K C 0.247 176.875 176.600 0.046 0.000 1.009 206 K CA -0.427 55.878 56.287 0.030 0.000 0.995 206 K CB 0.089 32.600 32.500 0.019 0.000 0.917 206 K HN 0.379 nan 8.250 nan 0.000 0.481 207 K N 2.727 123.162 120.400 0.058 0.000 2.368 207 K HA 0.065 4.391 4.320 0.010 0.000 0.282 207 K C 0.331 176.987 176.600 0.094 0.000 1.035 207 K CA -0.306 56.035 56.287 0.090 0.000 0.973 207 K CB 0.639 33.195 32.500 0.093 0.000 0.957 207 K HN 0.595 nan 8.250 nan 0.000 0.474 208 Q N 0.814 120.698 119.800 0.141 0.000 2.222 208 Q HA 0.134 4.480 4.340 0.010 0.000 0.211 208 Q C 0.059 176.156 176.000 0.160 0.000 1.013 208 Q CA -0.219 55.639 55.803 0.091 0.000 0.993 208 Q CB 0.240 28.972 28.738 -0.010 0.000 1.151 208 Q HN 0.531 nan 8.270 nan 0.000 0.544 209 T N 1.150 115.754 114.554 0.082 0.000 2.872 209 T HA 0.031 4.387 4.350 0.010 0.000 0.292 209 T C 0.618 175.496 174.700 0.297 0.000 1.036 209 T CA 0.644 62.828 62.100 0.141 0.000 1.136 209 T CB -0.082 68.836 68.868 0.084 0.000 1.052 209 T HN 0.617 nan 8.240 nan 0.000 0.512 210 G N 1.592 110.522 108.800 0.217 0.000 2.559 210 G HA2 0.233 4.199 3.960 0.010 0.000 0.235 210 G HA3 0.233 4.199 3.960 0.010 0.000 0.235 210 G C 1.181 176.249 174.900 0.279 0.000 1.266 210 G CA -0.208 45.025 45.100 0.222 0.000 0.847 210 G HN 0.831 nan 8.290 nan 0.000 0.583 211 S N 0.709 116.570 115.700 0.268 0.000 2.414 211 S HA -0.113 4.362 4.470 0.010 0.000 0.227 211 S C 2.134 176.725 174.600 -0.014 0.000 1.022 211 S CA 1.560 59.939 58.200 0.299 0.000 0.958 211 S CB -0.353 63.051 63.200 0.341 0.000 0.797 211 S HN 0.511 nan 8.310 nan 0.000 0.493 212 T N 2.585 117.141 114.554 0.003 0.000 2.674 212 T HA -0.012 4.344 4.350 0.010 0.000 0.265 212 T C 1.928 176.576 174.700 -0.087 0.000 1.039 212 T CA 1.581 63.643 62.100 -0.063 0.000 1.150 212 T CB -0.582 68.289 68.868 0.005 0.000 0.864 212 T HN 0.270 nan 8.240 nan 0.000 0.427 213 V N 1.317 121.223 119.914 -0.013 0.000 2.358 213 V HA -0.066 4.060 4.120 0.010 0.000 0.246 213 V C 2.852 178.938 176.094 -0.012 0.000 1.047 213 V CA 1.900 64.196 62.300 -0.007 0.000 1.035 213 V CB -1.377 30.463 31.823 0.029 0.000 0.658 213 V HN 0.606 nan 8.190 nan 0.000 0.452 214 G N 0.893 109.722 108.800 0.048 0.000 2.446 214 G HA2 -0.334 3.632 3.960 0.010 0.000 0.217 214 G HA3 -0.334 3.632 3.960 0.010 0.000 0.217 214 G C 1.615 176.513 174.900 -0.003 0.000 1.168 214 G CA 1.412 46.602 45.100 0.149 0.000 0.771 214 G HN 0.615 nan 8.290 nan 0.000 0.551 215 M N -0.510 118.782 119.600 -0.514 0.000 2.296 215 M HA 0.122 4.607 4.480 0.010 0.000 0.265 215 M C 2.362 178.371 176.300 -0.486 0.000 1.064 215 M CA 2.112 56.744 55.300 -1.113 0.000 1.109 215 M CB -0.255 31.164 32.600 -1.967 0.000 1.396 215 M HN 0.222 nan 8.290 nan 0.000 0.430 216 Q N 1.850 121.479 119.800 -0.285 0.000 2.119 216 Q HA -0.122 4.224 4.340 0.010 0.000 0.201 216 Q C 2.062 178.026 176.000 -0.059 0.000 0.972 216 Q CA 3.037 58.755 55.803 -0.142 0.000 0.847 216 Q CB -0.756 27.928 28.738 -0.090 0.000 0.903 216 Q HN 0.753 nan 8.270 nan 0.000 0.433 217 T N -2.695 111.846 114.554 -0.021 0.000 2.788 217 T HA -0.075 4.281 4.350 0.010 0.000 0.268 217 T C 2.032 176.775 174.700 0.071 0.000 1.044 217 T CA 1.403 63.525 62.100 0.036 0.000 1.139 217 T CB -0.534 68.367 68.868 0.054 0.000 0.867 217 T HN 0.182 nan 8.240 nan 0.000 0.454 218 S N 1.136 116.891 115.700 0.092 0.000 2.368 218 S HA -0.052 4.423 4.470 0.010 0.000 0.225 218 S C 2.224 176.881 174.600 0.094 0.000 1.030 218 S CA 1.157 59.454 58.200 0.162 0.000 0.999 218 S CB -0.674 62.739 63.200 0.356 0.000 0.844 218 S HN 0.408 nan 8.310 nan 0.000 0.459 219 V N 1.923 121.845 119.914 0.014 0.000 2.392 219 V HA -0.206 3.920 4.120 0.010 0.000 0.249 219 V C 2.239 178.350 176.094 0.029 0.000 1.059 219 V CA 1.773 64.079 62.300 0.009 0.000 1.051 219 V CB -0.668 31.133 31.823 -0.037 0.000 0.658 219 V HN 0.513 nan 8.190 nan 0.000 0.455 220 E N -0.128 120.091 120.200 0.031 0.000 2.216 220 E HA -0.111 4.245 4.350 0.010 0.000 0.192 220 E C 2.018 178.652 176.600 0.057 0.000 0.988 220 E CA 1.594 58.017 56.400 0.039 0.000 0.834 220 E CB 0.008 29.731 29.700 0.038 0.000 0.772 220 E HN 0.818 nan 8.360 nan 0.000 0.479 221 T N -3.601 111.001 114.554 0.080 0.000 3.009 221 T HA 0.110 4.466 4.350 0.010 0.000 0.267 221 T C 0.705 175.463 174.700 0.097 0.000 0.942 221 T CA -0.438 61.719 62.100 0.096 0.000 0.883 221 T CB 0.655 69.618 68.868 0.157 0.000 1.192 221 T HN -0.078 nan 8.240 nan 0.000 0.524 222 S N 2.608 118.371 115.700 0.106 0.000 2.411 222 S HA 0.386 4.862 4.470 0.010 0.000 0.294 222 S C 1.564 176.221 174.600 0.094 0.000 1.115 222 S CA 0.054 58.319 58.200 0.109 0.000 1.071 222 S CB 0.867 64.154 63.200 0.144 0.000 0.967 222 S HN 0.525 nan 8.310 nan 0.000 0.488 223 T N 3.918 118.516 114.554 0.074 0.000 2.867 223 T HA -0.034 4.321 4.350 0.010 0.000 0.268 223 T C 1.779 176.544 174.700 0.108 0.000 1.057 223 T CA 0.751 62.895 62.100 0.073 0.000 1.136 223 T CB -0.402 68.490 68.868 0.040 0.000 0.874 223 T HN 0.607 nan 8.240 nan 0.000 0.466 224 L N -0.104 121.183 121.223 0.106 0.000 2.093 224 L HA 0.055 4.401 4.340 0.010 0.000 0.208 224 L C 2.625 179.612 176.870 0.195 0.000 1.085 224 L CA 0.764 55.691 54.840 0.145 0.000 0.755 224 L CB -0.719 41.405 42.059 0.107 0.000 0.904 224 L HN 0.253 nan 8.230 nan 0.000 0.435 225 L N 0.516 121.839 121.223 0.167 0.000 2.012 225 L HA -0.243 4.103 4.340 0.010 0.000 0.210 225 L C 2.614 179.568 176.870 0.140 0.000 1.073 225 L CA 1.867 56.811 54.840 0.174 0.000 0.748 225 L CB -0.591 41.584 42.059 0.194 0.000 0.891 225 L HN 0.140 nan 8.230 nan 0.000 0.431 226 K N -1.404 119.073 120.400 0.128 0.000 2.026 226 K HA -0.266 4.059 4.320 0.010 0.000 0.208 226 K C 2.248 178.916 176.600 0.114 0.000 1.048 226 K CA 1.947 58.294 56.287 0.100 0.000 0.929 226 K CB -0.479 32.076 32.500 0.092 0.000 0.713 226 K HN 0.318 nan 8.250 nan 0.000 0.439 227 F N 2.159 122.127 119.950 0.031 0.000 2.095 227 F HA -0.220 4.312 4.527 0.009 0.000 0.298 227 F C 2.514 178.331 175.800 0.028 0.000 1.104 227 F CA 2.028 60.043 58.000 0.025 0.000 1.232 227 F CB -0.343 38.671 39.000 0.023 0.000 0.987 227 F HN 0.009 nan 8.300 nan 0.000 0.475 228 R N 0.571 121.112 120.500 0.069 0.000 2.094 228 R HA -0.203 4.143 4.340 0.010 0.000 0.239 228 R C 2.281 178.517 176.300 -0.106 0.000 1.137 228 R CA 1.814 57.898 56.100 -0.027 0.000 0.943 228 R CB -0.865 29.494 30.300 0.100 0.000 0.850 228 R HN 0.360 nan 8.270 nan 0.000 0.433 229 A N 0.484 123.277 122.820 -0.045 0.000 1.930 229 A HA -0.130 4.196 4.320 0.010 0.000 0.217 229 A C 1.891 179.414 177.584 -0.102 0.000 1.175 229 A CA 1.568 53.574 52.037 -0.052 0.000 0.627 229 A CB -0.287 18.703 19.000 -0.017 0.000 0.815 229 A HN 0.576 nan 8.150 nan 0.000 0.443 230 E N -0.946 119.175 120.200 -0.132 0.000 2.190 230 E HA 0.024 4.380 4.350 0.010 0.000 0.191 230 E C 1.414 177.883 176.600 -0.218 0.000 0.978 230 E CA 1.034 57.350 56.400 -0.140 0.000 0.839 230 E CB 0.188 29.834 29.700 -0.090 0.000 0.787 230 E HN 0.513 nan 8.360 nan 0.000 0.473 231 S N -0.840 114.615 115.700 -0.408 0.000 2.604 231 S HA 0.113 4.589 4.470 0.010 0.000 0.235 231 S C 1.327 175.649 174.600 -0.463 0.000 1.043 231 S CA -0.207 57.679 58.200 -0.522 0.000 0.997 231 S CB 1.232 63.847 63.200 -0.975 0.000 0.956 231 S HN -0.034 nan 8.310 nan 0.000 0.535 232 V N 0.245 119.929 119.914 -0.384 0.000 2.854 232 V HA 0.126 4.252 4.120 0.010 0.000 0.236 232 V C 2.024 178.048 176.094 -0.117 0.000 1.157 232 V CA 0.505 62.680 62.300 -0.208 0.000 1.187 232 V CB -0.316 31.422 31.823 -0.142 0.000 0.949 232 V HN 0.249 nan 8.190 nan 0.000 0.488 233 V N 1.086 120.937 119.914 -0.105 0.000 2.343 233 V HA -0.106 4.020 4.120 0.010 0.000 0.247 233 V C -0.131 175.923 176.094 -0.066 0.000 1.051 233 V CA 2.407 64.667 62.300 -0.066 0.000 1.036 233 V CB -1.742 30.050 31.823 -0.052 0.000 0.654 233 V HN 0.465 nan 8.190 nan 0.000 0.451 234 P HA -0.189 nan 4.420 nan 0.000 0.215 234 P C 1.672 178.939 177.300 -0.055 0.000 1.157 234 P CA 1.608 64.668 63.100 -0.067 0.000 0.868 234 P CB 0.086 31.742 31.700 -0.072 0.000 0.788 235 E N 0.082 120.247 120.200 -0.058 0.000 2.077 235 E HA -0.174 4.182 4.350 0.010 0.000 0.193 235 E C 2.066 178.643 176.600 -0.037 0.000 0.989 235 E CA 1.428 57.801 56.400 -0.045 0.000 0.800 235 E CB -0.587 29.087 29.700 -0.044 0.000 0.746 235 E HN 0.040 nan 8.360 nan 0.000 0.452 236 R N -0.558 119.918 120.500 -0.040 0.000 2.120 236 R HA -0.068 4.277 4.340 0.010 0.000 0.234 236 R C 2.290 178.573 176.300 -0.029 0.000 1.123 236 R CA 1.416 57.496 56.100 -0.033 0.000 0.975 236 R CB -0.252 30.029 30.300 -0.032 0.000 0.866 236 R HN 0.318 nan 8.270 nan 0.000 0.446 237 M N 0.823 120.406 119.600 -0.030 0.000 2.108 237 M HA -0.174 4.312 4.480 0.010 0.000 0.261 237 M C 1.872 178.160 176.300 -0.020 0.000 1.066 237 M CA 1.784 57.071 55.300 -0.021 0.000 1.107 237 M CB -0.554 32.030 32.600 -0.028 0.000 1.356 237 M HN 0.057 nan 8.290 nan 0.000 0.406 238 K N -0.108 120.276 120.400 -0.026 0.000 2.057 238 K HA -0.127 4.199 4.320 0.010 0.000 0.206 238 K C 1.913 178.498 176.600 -0.025 0.000 1.050 238 K CA 1.146 57.417 56.287 -0.027 0.000 0.935 238 K CB -0.118 32.364 32.500 -0.029 0.000 0.715 238 K HN 0.437 nan 8.250 nan 0.000 0.439 239 E N 0.574 120.760 120.200 -0.023 0.000 2.077 239 E HA -0.219 4.137 4.350 0.010 0.000 0.193 239 E C 2.003 178.596 176.600 -0.012 0.000 0.989 239 E CA 1.236 57.624 56.400 -0.020 0.000 0.800 239 E CB -0.097 29.591 29.700 -0.021 0.000 0.746 239 E HN 0.154 nan 8.360 nan 0.000 0.452 240 M N 0.798 120.394 119.600 -0.007 0.000 2.086 240 M HA -0.138 4.348 4.480 0.010 0.000 0.261 240 M C 2.156 178.476 176.300 0.034 0.000 1.067 240 M CA 1.751 57.064 55.300 0.022 0.000 1.116 240 M CB -0.473 32.137 32.600 0.017 0.000 1.348 240 M HN -0.063 nan 8.290 nan 0.000 0.407 241 T N 0.418 114.973 114.554 0.002 0.000 2.665 241 T HA -0.238 4.118 4.350 0.010 0.000 0.268 241 T C 1.882 176.545 174.700 -0.062 0.000 1.035 241 T CA 1.995 64.076 62.100 -0.031 0.000 1.151 241 T CB -0.444 68.403 68.868 -0.036 0.000 0.862 241 T HN 0.479 nan 8.240 nan 0.000 0.438 242 R N 0.170 120.641 120.500 -0.049 0.000 2.073 242 R HA -0.113 4.233 4.340 0.010 0.000 0.234 242 R C 2.537 178.791 176.300 -0.076 0.000 1.134 242 R CA 1.833 57.896 56.100 -0.063 0.000 0.952 242 R CB -0.787 29.486 30.300 -0.046 0.000 0.850 242 R HN 0.408 nan 8.270 nan 0.000 0.433 243 C N 0.445 119.723 119.300 -0.037 0.000 2.429 243 C HA -0.055 4.410 4.460 0.010 0.000 0.277 243 C C 2.596 177.514 174.990 -0.120 0.000 1.262 243 C CA 0.477 59.480 59.018 -0.024 0.000 1.733 243 C CB -0.857 26.940 27.740 0.095 0.000 2.010 243 C HN 0.525 nan 8.230 nan 0.000 0.483 244 I N 0.546 121.063 120.570 -0.089 0.000 2.142 244 I HA -0.252 3.924 4.170 0.010 0.000 0.240 244 I C 2.746 178.657 176.117 -0.343 0.000 1.078 244 I CA 1.438 62.574 61.300 -0.274 0.000 1.343 244 I CB -0.607 37.212 38.000 -0.302 0.000 1.046 244 I HN 0.351 nan 8.210 nan 0.000 0.405 245 Q N 0.773 120.427 119.800 -0.244 0.000 2.096 245 Q HA -0.240 4.105 4.340 0.010 0.000 0.204 245 Q C 1.871 177.818 176.000 -0.088 0.000 0.982 245 Q CA 1.640 57.345 55.803 -0.163 0.000 0.850 245 Q CB -0.454 28.182 28.738 -0.170 0.000 0.901 245 Q HN 0.618 nan 8.270 nan 0.000 0.422 246 E N 0.558 120.633 120.200 -0.208 0.000 2.502 246 E HA -0.033 4.323 4.350 0.010 0.000 0.194 246 E C -0.273 176.055 176.600 -0.453 0.000 1.062 246 E CA -0.182 56.071 56.400 -0.245 0.000 0.867 246 E CB 0.074 29.675 29.700 -0.165 0.000 0.888 246 E HN 0.310 nan 8.360 nan 0.000 0.510 247 Q N 1.229 120.525 119.800 -0.840 0.000 2.453 247 Q HA -0.195 4.150 4.340 0.010 0.000 0.294 247 Q C -0.586 174.934 176.000 -0.800 0.000 1.295 247 Q CA 0.586 55.414 55.803 -1.626 0.000 0.853 247 Q CB -1.168 26.715 28.738 -1.425 0.000 1.193 247 Q HN 0.167 nan 8.270 nan 0.000 0.461 248 D N -0.476 119.664 120.400 -0.434 0.000 2.468 248 D HA 0.091 4.737 4.640 0.010 0.000 0.218 248 D C 0.218 176.680 176.300 0.270 0.000 1.155 248 D CA -0.354 53.628 54.000 -0.030 0.000 0.924 248 D CB -0.003 40.778 40.800 -0.032 0.000 1.029 248 D HN 0.217 nan 8.370 nan 0.000 0.515 249 F N 3.023 123.190 119.950 0.362 0.000 2.102 249 F HA -0.195 4.338 4.527 0.009 0.000 0.298 249 F C 2.016 178.017 175.800 0.334 0.000 1.105 249 F CA 1.547 59.848 58.000 0.502 0.000 1.239 249 F CB 0.123 39.360 39.000 0.395 0.000 0.991 249 F HN 0.402 nan 8.300 nan 0.000 0.474 250 Q N -0.089 119.849 119.800 0.229 0.000 2.096 250 Q HA -0.181 4.165 4.340 0.010 0.000 0.204 250 Q C 2.496 178.484 176.000 -0.020 0.000 0.982 250 Q CA 1.512 57.370 55.803 0.091 0.000 0.850 250 Q CB -0.976 27.853 28.738 0.152 0.000 0.901 250 Q HN 0.609 nan 8.270 nan 0.000 0.422 251 G N 0.696 109.514 108.800 0.030 0.000 2.433 251 G HA2 -0.279 3.687 3.960 0.010 0.000 0.216 251 G HA3 -0.279 3.687 3.960 0.010 0.000 0.216 251 G C 1.210 176.095 174.900 -0.025 0.000 1.186 251 G CA 0.628 45.732 45.100 0.007 0.000 0.779 251 G HN 0.364 nan 8.290 nan 0.000 0.543 252 F N 2.573 122.440 119.950 -0.138 0.000 2.091 252 F HA -0.055 4.477 4.527 0.009 0.000 0.299 252 F C 2.764 178.350 175.800 -0.357 0.000 1.103 252 F CA 1.716 59.605 58.000 -0.185 0.000 1.228 252 F CB -0.362 38.613 39.000 -0.041 0.000 0.984 252 F HN 0.235 nan 8.300 nan 0.000 0.477 253 A N 0.050 122.545 122.820 -0.542 0.000 1.877 253 A HA -0.236 4.090 4.320 0.010 0.000 0.216 253 A C 2.139 179.454 177.584 -0.448 0.000 1.186 253 A CA 1.880 53.516 52.037 -0.669 0.000 0.620 253 A CB -1.011 17.560 19.000 -0.716 0.000 0.822 253 A HN 0.619 nan 8.150 nan 0.000 0.443 254 Q N -1.209 118.426 119.800 -0.276 0.000 2.084 254 Q HA -0.150 4.196 4.340 0.010 0.000 0.202 254 Q C 2.064 177.952 176.000 -0.185 0.000 0.978 254 Q CA 1.473 57.176 55.803 -0.167 0.000 0.844 254 Q CB -0.306 28.388 28.738 -0.073 0.000 0.898 254 Q HN 0.535 nan 8.270 nan 0.000 0.426 255 L N 0.215 121.308 121.223 -0.217 0.000 2.093 255 L HA -0.134 4.212 4.340 0.010 0.000 0.208 255 L C 2.036 178.752 176.870 -0.257 0.000 1.085 255 L CA 1.832 56.556 54.840 -0.192 0.000 0.755 255 L CB -0.664 41.297 42.059 -0.164 0.000 0.904 255 L HN 0.144 nan 8.230 nan 0.000 0.435 256 T N -0.642 113.640 114.554 -0.452 0.000 2.674 256 T HA -0.208 4.147 4.350 0.010 0.000 0.265 256 T C 1.919 176.452 174.700 -0.277 0.000 1.039 256 T CA 2.046 63.862 62.100 -0.475 0.000 1.150 256 T CB -0.184 68.177 68.868 -0.844 0.000 0.864 256 T HN 0.282 nan 8.240 nan 0.000 0.427 257 M N 0.565 119.955 119.600 -0.350 0.000 2.086 257 M HA -0.083 4.403 4.480 0.010 0.000 0.261 257 M C 2.384 178.664 176.300 -0.033 0.000 1.067 257 M CA 1.640 56.730 55.300 -0.350 0.000 1.116 257 M CB -0.351 31.874 32.600 -0.624 0.000 1.348 257 M HN 0.120 nan 8.290 nan 0.000 0.407 258 K N -0.004 120.372 120.400 -0.039 0.000 2.057 258 K HA -0.198 4.128 4.320 0.010 0.000 0.207 258 K C 1.521 178.160 176.600 0.066 0.000 1.049 258 K CA 1.644 57.953 56.287 0.036 0.000 0.931 258 K CB -0.212 32.292 32.500 0.007 0.000 0.714 258 K HN 0.240 nan 8.250 nan 0.000 0.440 259 D N -0.164 120.255 120.400 0.031 0.000 2.194 259 D HA -0.082 4.564 4.640 0.010 0.000 0.204 259 D C 1.940 178.335 176.300 0.159 0.000 0.964 259 D CA 0.723 54.762 54.000 0.066 0.000 0.846 259 D CB 0.106 40.914 40.800 0.014 0.000 0.962 259 D HN -0.034 nan 8.370 nan 0.000 0.490 260 S N -0.257 115.564 115.700 0.202 0.000 2.356 260 S HA -0.160 4.315 4.470 0.010 0.000 0.223 260 S C 1.812 176.651 174.600 0.400 0.000 1.032 260 S CA 1.240 59.673 58.200 0.390 0.000 1.005 260 S CB -0.314 63.168 63.200 0.470 0.000 0.867 260 S HN 0.239 nan 8.310 nan 0.000 0.449 261 N N 1.148 120.034 118.700 0.309 0.000 2.166 261 N HA -0.111 4.634 4.740 0.010 0.000 0.186 261 N C 1.841 177.433 175.510 0.137 0.000 1.019 261 N CA 1.091 54.273 53.050 0.221 0.000 0.856 261 N CB -0.598 38.014 38.487 0.208 0.000 0.993 261 N HN 0.644 nan 8.380 nan 0.000 0.426 262 Q N -0.354 119.529 119.800 0.139 0.000 2.079 262 Q HA -0.109 4.236 4.340 0.010 0.000 0.200 262 Q C 1.893 177.950 176.000 0.095 0.000 0.974 262 Q CA 0.825 56.693 55.803 0.108 0.000 0.840 262 Q CB -0.150 28.656 28.738 0.114 0.000 0.898 262 Q HN 0.301 nan 8.270 nan 0.000 0.430 263 F N 1.051 120.961 119.950 -0.066 0.000 2.065 263 F HA -0.286 4.246 4.527 0.009 0.000 0.298 263 F C 1.963 177.525 175.800 -0.397 0.000 1.112 263 F CA 2.018 59.866 58.000 -0.254 0.000 1.212 263 F CB -0.816 37.992 39.000 -0.321 0.000 0.975 263 F HN 0.218 nan 8.300 nan 0.000 0.476 264 H N 0.120 118.813 119.070 -0.628 0.000 2.457 264 H HA 0.061 4.623 4.556 0.010 0.000 0.294 264 H C 2.383 177.500 175.328 -0.352 0.000 1.064 264 H CA 1.130 56.757 56.048 -0.700 0.000 1.330 264 H CB -0.719 28.737 29.762 -0.510 0.000 1.395 264 H HN 0.433 nan 8.280 nan 0.000 0.541 265 A N 0.918 123.679 122.820 -0.099 0.000 1.883 265 A HA -0.199 4.126 4.320 0.010 0.000 0.217 265 A C 2.727 180.288 177.584 -0.040 0.000 1.186 265 A CA 2.494 54.505 52.037 -0.044 0.000 0.624 265 A CB -0.989 18.018 19.000 0.012 0.000 0.822 265 A HN 0.571 nan 8.150 nan 0.000 0.444 266 T N -3.144 111.391 114.554 -0.032 0.000 2.867 266 T HA -0.181 4.175 4.350 0.010 0.000 0.268 266 T C 1.831 176.552 174.700 0.036 0.000 1.057 266 T CA 1.592 63.720 62.100 0.048 0.000 1.136 266 T CB -1.189 67.770 68.868 0.152 0.000 0.874 266 T HN 0.407 nan 8.240 nan 0.000 0.466 267 C N 0.899 120.121 119.300 -0.129 0.000 2.429 267 C HA 0.118 4.584 4.460 0.010 0.000 0.277 267 C C 2.623 177.569 174.990 -0.074 0.000 1.262 267 C CA 0.190 59.138 59.018 -0.117 0.000 1.733 267 C CB -1.541 25.981 27.740 -0.362 0.000 2.010 267 C HN 0.450 nan 8.230 nan 0.000 0.483 268 L N 0.883 122.052 121.223 -0.090 0.000 2.131 268 L HA -0.088 4.258 4.340 0.010 0.000 0.210 268 L C 1.934 178.803 176.870 -0.002 0.000 1.092 268 L CA 1.901 56.705 54.840 -0.059 0.000 0.759 268 L CB -0.901 41.122 42.059 -0.061 0.000 0.903 268 L HN 0.318 nan 8.230 nan 0.000 0.435 269 D N -1.698 118.717 120.400 0.025 0.000 2.355 269 D HA -0.057 4.589 4.640 0.010 0.000 0.218 269 D C 0.538 176.901 176.300 0.105 0.000 1.004 269 D CA 0.212 54.250 54.000 0.063 0.000 0.880 269 D CB 0.189 41.027 40.800 0.063 0.000 0.911 269 D HN 0.162 nan 8.370 nan 0.000 0.528 270 T N 0.009 114.627 114.554 0.107 0.000 2.900 270 T HA 0.158 4.514 4.350 0.010 0.000 0.307 270 T C -0.443 174.359 174.700 0.170 0.000 1.065 270 T CA -0.037 62.147 62.100 0.141 0.000 1.105 270 T CB 0.673 69.624 68.868 0.138 0.000 0.979 270 T HN -0.009 nan 8.240 nan 0.000 0.544 271 F N 4.663 124.629 119.950 0.027 0.000 2.499 271 F HA 0.419 4.952 4.527 0.010 0.000 0.333 271 F C -2.211 173.598 175.800 0.014 0.000 1.138 271 F CA -2.484 55.524 58.000 0.014 0.000 0.945 271 F CB 1.422 40.428 39.000 0.011 0.000 1.181 271 F HN 0.326 nan 8.300 nan 0.000 0.435 272 P HA 0.244 nan 4.420 nan 0.000 0.272 272 P C -2.848 174.318 177.300 -0.222 0.000 1.230 272 P CA -1.314 61.422 63.100 -0.607 0.000 0.788 272 P CB 0.122 31.521 31.700 -0.502 0.000 0.949 273 P HA 0.289 nan 4.420 nan 0.000 0.274 273 P C -0.434 176.788 177.300 -0.129 0.000 1.231 273 P CA 0.087 63.132 63.100 -0.091 0.000 0.790 273 P CB 0.732 32.387 31.700 -0.075 0.000 0.951 274 I N 0.914 121.397 120.570 -0.145 0.000 2.406 274 I HA 0.254 4.430 4.170 0.010 0.000 0.290 274 I C 0.329 176.224 176.117 -0.369 0.000 0.999 274 I CA -0.370 60.762 61.300 -0.279 0.000 1.124 274 I CB 1.859 39.698 38.000 -0.267 0.000 1.289 274 I HN 0.213 nan 8.210 nan 0.000 0.441 275 S N 4.914 120.373 115.700 -0.402 0.000 2.653 275 S HA 0.382 4.858 4.470 0.010 0.000 0.272 275 S C 0.132 174.560 174.600 -0.286 0.000 1.221 275 S CA -0.407 57.611 58.200 -0.303 0.000 1.149 275 S CB 0.262 63.347 63.200 -0.190 0.000 1.029 275 S HN 0.483 nan 8.310 nan 0.000 0.481 276 Y N 3.182 123.419 120.300 -0.104 0.000 2.420 276 Y HA 0.320 4.875 4.550 0.009 0.000 0.292 276 Y C 0.899 176.685 175.900 -0.190 0.000 1.119 276 Y CA 0.237 58.286 58.100 -0.085 0.000 1.229 276 Y CB 0.049 38.524 38.460 0.025 0.000 1.026 276 Y HN 0.480 nan 8.280 nan 0.000 0.554 277 L N 2.111 123.202 121.223 -0.219 0.000 2.380 277 L HA 0.182 4.528 4.340 0.010 0.000 0.273 277 L C 0.098 176.839 176.870 -0.215 0.000 1.138 277 L CA -0.581 54.040 54.840 -0.364 0.000 0.832 277 L CB 0.359 42.037 42.059 -0.636 0.000 1.124 277 L HN 0.221 nan 8.230 nan 0.000 0.454 278 N N 0.155 118.756 118.700 -0.165 0.000 2.813 278 N HA 0.189 4.935 4.740 0.010 0.000 0.320 278 N C 0.168 175.621 175.510 -0.095 0.000 1.315 278 N CA -0.746 52.243 53.050 -0.102 0.000 0.871 278 N CB 0.412 38.869 38.487 -0.051 0.000 1.241 278 N HN 0.346 nan 8.380 nan 0.000 0.602 279 D N -0.675 119.695 120.400 -0.050 0.000 2.144 279 D HA -0.090 4.556 4.640 0.010 0.000 0.199 279 D C 1.234 177.544 176.300 0.017 0.000 0.984 279 D CA 1.598 55.584 54.000 -0.022 0.000 0.834 279 D CB -0.554 40.245 40.800 -0.002 0.000 0.955 279 D HN 0.647 nan 8.370 nan 0.000 0.465 280 T N 0.196 114.765 114.554 0.025 0.000 2.674 280 T HA -0.116 4.240 4.350 0.010 0.000 0.265 280 T C 2.167 176.878 174.700 0.018 0.000 1.039 280 T CA 1.531 63.664 62.100 0.055 0.000 1.150 280 T CB -0.341 68.519 68.868 -0.014 0.000 0.864 280 T HN 0.061 nan 8.240 nan 0.000 0.427 281 S N 1.482 117.159 115.700 -0.037 0.000 2.372 281 S HA -0.165 4.311 4.470 0.010 0.000 0.227 281 S C 2.112 176.633 174.600 -0.133 0.000 1.044 281 S CA 1.243 59.398 58.200 -0.074 0.000 1.050 281 S CB -0.306 62.662 63.200 -0.387 0.000 0.901 281 S HN 0.459 nan 8.310 nan 0.000 0.447 282 R N 0.598 121.009 120.500 -0.148 0.000 2.148 282 R HA 0.122 4.468 4.340 0.010 0.000 0.227 282 R C 2.556 178.864 176.300 0.012 0.000 1.103 282 R CA 0.717 56.744 56.100 -0.121 0.000 0.983 282 R CB -0.134 30.096 30.300 -0.116 0.000 0.874 282 R HN 0.332 nan 8.270 nan 0.000 0.451 283 R N 0.290 120.855 120.500 0.109 0.000 2.115 283 R HA -0.006 4.340 4.340 0.010 0.000 0.226 283 R C 2.147 178.666 176.300 0.364 0.000 1.100 283 R CA 1.031 57.272 56.100 0.235 0.000 0.980 283 R CB -0.145 30.356 30.300 0.334 0.000 0.875 283 R HN 0.212 nan 8.270 nan 0.000 0.445 284 I N 0.592 121.360 120.570 0.329 0.000 2.252 284 I HA -0.262 3.914 4.170 0.010 0.000 0.245 284 I C 2.199 178.436 176.117 0.199 0.000 1.102 284 I CA 1.248 62.723 61.300 0.291 0.000 1.385 284 I CB -0.174 37.916 38.000 0.150 0.000 1.064 284 I HN 0.118 nan 8.210 nan 0.000 0.414 285 I N 0.245 120.833 120.570 0.030 0.000 2.208 285 I HA -0.338 3.837 4.170 0.010 0.000 0.245 285 I C 2.835 179.020 176.117 0.113 0.000 1.097 285 I CA 1.329 62.509 61.300 -0.199 0.000 1.363 285 I CB -0.422 37.336 38.000 -0.404 0.000 1.051 285 I HN 0.212 nan 8.210 nan 0.000 0.413 286 Q N 0.083 119.982 119.800 0.165 0.000 2.123 286 Q HA -0.164 4.182 4.340 0.010 0.000 0.199 286 Q C 2.157 178.313 176.000 0.261 0.000 0.966 286 Q CA 1.305 57.242 55.803 0.224 0.000 0.845 286 Q CB -0.767 28.061 28.738 0.150 0.000 0.907 286 Q HN 0.576 nan 8.270 nan 0.000 0.439 287 L N 0.307 121.690 121.223 0.266 0.000 2.012 287 L HA -0.130 4.215 4.340 0.010 0.000 0.210 287 L C 2.262 179.381 176.870 0.414 0.000 1.073 287 L CA 1.849 56.878 54.840 0.315 0.000 0.748 287 L CB -0.792 41.466 42.059 0.332 0.000 0.891 287 L HN 0.191 nan 8.230 nan 0.000 0.431 288 V N -0.192 119.953 119.914 0.384 0.000 2.295 288 V HA -0.319 3.807 4.120 0.010 0.000 0.246 288 V C 2.631 178.890 176.094 0.276 0.000 1.049 288 V CA 2.071 64.569 62.300 0.330 0.000 1.024 288 V CB -1.032 30.955 31.823 0.273 0.000 0.648 288 V HN 0.582 nan 8.190 nan 0.000 0.447 289 H N 0.187 119.481 119.070 0.373 0.000 2.389 289 H HA -0.044 4.518 4.556 0.010 0.000 0.299 289 H C 2.565 178.065 175.328 0.285 0.000 1.081 289 H CA 1.569 57.798 56.048 0.302 0.000 1.345 289 H CB -0.083 29.829 29.762 0.249 0.000 1.393 289 H HN 0.395 nan 8.280 nan 0.000 0.520 290 R N -0.363 120.371 120.500 0.391 0.000 2.075 290 R HA -0.099 4.247 4.340 0.010 0.000 0.232 290 R C 2.250 178.770 176.300 0.367 0.000 1.126 290 R CA 1.013 57.305 56.100 0.320 0.000 0.963 290 R CB -0.386 30.068 30.300 0.257 0.000 0.858 290 R HN 0.176 nan 8.270 nan 0.000 0.435 291 F N 2.342 122.467 119.950 0.291 0.000 2.095 291 F HA -0.244 4.289 4.527 0.011 0.000 0.298 291 F C 1.890 177.920 175.800 0.382 0.000 1.104 291 F CA 1.597 59.804 58.000 0.344 0.000 1.232 291 F CB -0.136 39.105 39.000 0.402 0.000 0.987 291 F HN -0.034 nan 8.300 nan 0.000 0.475 292 N N -0.163 118.833 118.700 0.494 0.000 2.084 292 N HA -0.152 4.594 4.740 0.010 0.000 0.190 292 N C 1.833 177.503 175.510 0.265 0.000 1.030 292 N CA 2.084 55.345 53.050 0.353 0.000 0.849 292 N CB -1.074 37.604 38.487 0.319 0.000 1.012 292 N HN 0.284 nan 8.380 nan 0.000 0.423 293 T N 0.530 115.238 114.554 0.257 0.000 2.720 293 T HA -0.188 4.168 4.350 0.010 0.000 0.268 293 T C 1.712 176.487 174.700 0.126 0.000 1.037 293 T CA 1.171 63.378 62.100 0.179 0.000 1.144 293 T CB -0.447 68.526 68.868 0.176 0.000 0.864 293 T HN 0.404 nan 8.240 nan 0.000 0.444 294 H N 0.488 119.589 119.070 0.053 0.000 2.387 294 H HA -0.109 4.453 4.556 0.011 0.000 0.299 294 H C 1.919 177.157 175.328 -0.150 0.000 1.099 294 H CA 1.726 57.736 56.048 -0.062 0.000 1.315 294 H CB -0.123 29.569 29.762 -0.117 0.000 1.380 294 H HN 0.484 nan 8.280 nan 0.000 0.513 295 H N -1.132 117.906 119.070 -0.054 0.000 2.548 295 H HA 0.124 4.686 4.556 0.009 0.000 0.268 295 H C 1.557 176.859 175.328 -0.043 0.000 0.975 295 H CA 0.818 56.820 56.048 -0.077 0.000 1.195 295 H CB 0.225 29.943 29.762 -0.074 0.000 1.397 295 H HN 0.628 nan 8.280 nan 0.000 0.572 296 G N 0.490 109.334 108.800 0.073 0.000 2.155 296 G HA2 -0.302 3.663 3.960 0.010 0.000 0.257 296 G HA3 -0.302 3.663 3.960 0.010 0.000 0.257 296 G C 0.136 175.096 174.900 0.100 0.000 0.983 296 G CA 0.666 45.801 45.100 0.059 0.000 0.676 296 G HN 0.644 nan 8.290 nan 0.000 0.528 297 Q N -2.009 117.880 119.800 0.148 0.000 2.633 297 Q HA 0.607 4.952 4.340 0.010 0.000 0.289 297 Q C -0.910 175.207 176.000 0.195 0.000 0.940 297 Q CA -0.653 55.243 55.803 0.155 0.000 0.785 297 Q CB 0.405 29.229 28.738 0.144 0.000 1.467 297 Q HN 0.126 nan 8.270 nan 0.000 0.401 298 T N 2.446 117.124 114.554 0.206 0.000 2.776 298 T HA 0.188 4.544 4.350 0.010 0.000 0.292 298 T C 0.312 175.228 174.700 0.361 0.000 0.921 298 T CA -0.485 61.762 62.100 0.246 0.000 1.038 298 T CB 0.386 69.361 68.868 0.178 0.000 0.910 298 T HN 0.364 nan 8.240 nan 0.000 0.536 299 K N 1.844 122.432 120.400 0.312 0.000 2.308 299 K HA 0.244 4.570 4.320 0.010 0.000 0.197 299 K C 0.419 177.146 176.600 0.212 0.000 1.049 299 K CA 0.344 56.762 56.287 0.219 0.000 0.991 299 K CB 0.724 33.316 32.500 0.154 0.000 0.836 299 K HN 0.354 nan 8.250 nan 0.000 0.500 300 V N 0.667 120.727 119.914 0.243 0.000 2.841 300 V HA 0.614 4.740 4.120 0.010 0.000 0.310 300 V C -1.092 175.023 176.094 0.034 0.000 1.090 300 V CA -1.248 61.055 62.300 0.006 0.000 0.930 300 V CB 1.960 33.466 31.823 -0.529 0.000 1.014 300 V HN 0.163 nan 8.190 nan 0.000 0.425 301 A N 3.309 126.142 122.820 0.021 0.000 2.413 301 A HA 0.986 5.312 4.320 0.010 0.000 0.307 301 A C -1.282 176.238 177.584 -0.106 0.000 1.087 301 A CA -0.556 51.381 52.037 -0.167 0.000 0.750 301 A CB 1.557 20.414 19.000 -0.238 0.000 1.296 301 A HN 1.126 nan 8.150 nan 0.000 0.423 302 Y N -0.962 119.323 120.300 -0.025 0.000 2.567 302 Y HA 0.899 5.455 4.550 0.010 0.000 0.333 302 Y C 0.077 175.987 175.900 0.016 0.000 1.106 302 Y CA -0.916 57.156 58.100 -0.047 0.000 1.157 302 Y CB 1.473 39.933 38.460 -0.001 0.000 1.277 302 Y HN 0.701 nan 8.280 nan 0.000 0.490 303 T N 1.568 116.196 114.554 0.124 0.000 2.942 303 T HA 0.641 4.997 4.350 0.010 0.000 0.327 303 T C -2.160 172.543 174.700 0.005 0.000 1.360 303 T CA -0.718 61.519 62.100 0.227 0.000 1.055 303 T CB 0.524 69.512 68.868 0.200 0.000 1.261 303 T HN 0.548 nan 8.240 nan 0.000 0.485 304 F N 2.460 122.587 119.950 0.295 0.000 2.540 304 F HA 0.521 5.053 4.527 0.008 0.000 0.317 304 F C 0.645 176.707 175.800 0.437 0.000 1.104 304 F CA -0.804 57.349 58.000 0.255 0.000 0.913 304 F CB 1.943 40.983 39.000 0.067 0.000 1.170 304 F HN 0.496 nan 8.300 nan 0.000 0.450 305 D N 0.971 121.623 120.400 0.420 0.000 2.406 305 D HA 0.343 4.989 4.640 0.010 0.000 0.288 305 D C 0.142 176.616 176.300 0.289 0.000 1.186 305 D CA -0.280 53.922 54.000 0.337 0.000 1.098 305 D CB 0.368 41.239 40.800 0.119 0.000 1.160 305 D HN 0.465 nan 8.370 nan 0.000 0.561 306 A N -0.217 122.570 122.820 -0.055 0.000 3.118 306 A HA 0.558 4.884 4.320 0.010 0.000 0.256 306 A C 0.423 177.634 177.584 -0.621 0.000 1.667 306 A CA 0.433 51.996 52.037 -0.790 0.000 1.338 306 A CB -0.931 17.664 19.000 -0.676 0.000 1.127 306 A HN 0.456 nan 8.150 nan 0.000 0.634 307 G N -0.019 108.701 108.800 -0.134 0.000 2.349 307 G HA2 0.481 4.447 3.960 0.010 0.000 0.294 307 G HA3 0.481 4.447 3.960 0.010 0.000 0.294 307 G C -2.722 172.269 174.900 0.152 0.000 1.380 307 G CA -0.210 44.940 45.100 0.083 0.000 0.811 307 G HN -0.089 nan 8.290 nan 0.000 0.519 308 P HA 0.058 nan 4.420 nan 0.000 0.240 308 P C 0.086 177.516 177.300 0.217 0.000 1.190 308 P CA 0.012 63.181 63.100 0.115 0.000 0.781 308 P CB 0.112 31.834 31.700 0.037 0.000 0.931 309 N N 1.395 120.161 118.700 0.110 0.000 2.454 309 N HA 0.173 4.919 4.740 0.010 0.000 0.260 309 N C 0.276 175.718 175.510 -0.113 0.000 1.218 309 N CA 0.303 53.344 53.050 -0.014 0.000 0.904 309 N CB 0.167 38.605 38.487 -0.083 0.000 1.065 309 N HN 0.096 nan 8.380 nan 0.000 0.462 310 A N 2.099 124.736 122.820 -0.305 0.000 2.331 310 A HA 0.452 4.777 4.320 0.010 0.000 0.283 310 A C -0.123 177.167 177.584 -0.490 0.000 1.142 310 A CA -0.603 50.963 52.037 -0.785 0.000 0.812 310 A CB 0.553 19.235 19.000 -0.531 0.000 1.074 310 A HN 0.419 nan 8.150 nan 0.000 0.497 311 V N 4.619 124.230 119.914 -0.505 0.000 2.370 311 V HA 0.297 4.423 4.120 0.010 0.000 0.283 311 V C -0.359 175.558 176.094 -0.294 0.000 1.023 311 V CA -0.474 61.620 62.300 -0.344 0.000 0.857 311 V CB 1.066 32.726 31.823 -0.271 0.000 0.985 311 V HN 0.681 nan 8.190 nan 0.000 0.443 312 I N 5.144 125.534 120.570 -0.300 0.000 2.377 312 I HA 0.502 4.678 4.170 0.010 0.000 0.293 312 I C -0.371 175.565 176.117 -0.303 0.000 0.987 312 I CA -0.608 60.567 61.300 -0.208 0.000 1.185 312 I CB 1.414 39.316 38.000 -0.164 0.000 1.341 312 I HN 0.396 nan 8.210 nan 0.000 0.455 313 F N 3.457 123.373 119.950 -0.057 0.000 2.469 313 F HA 0.620 5.154 4.527 0.012 0.000 0.332 313 F C 0.668 176.532 175.800 0.106 0.000 1.103 313 F CA -0.291 57.749 58.000 0.066 0.000 0.979 313 F CB 2.120 41.281 39.000 0.269 0.000 1.137 313 F HN 0.384 nan 8.300 nan 0.000 0.463 314 T N 2.996 117.634 114.554 0.140 0.000 2.739 314 T HA 0.571 4.926 4.350 0.010 0.000 0.303 314 T C -1.236 173.257 174.700 -0.345 0.000 1.389 314 T CA -0.654 61.340 62.100 -0.176 0.000 1.001 314 T CB 0.897 69.612 68.868 -0.254 0.000 1.436 314 T HN 0.422 nan 8.240 nan 0.000 0.500 315 L N 2.193 123.093 121.223 -0.538 0.000 2.421 315 L HA 0.466 4.812 4.340 0.010 0.000 0.263 315 L C 2.010 178.773 176.870 -0.179 0.000 1.122 315 L CA -0.422 54.207 54.840 -0.351 0.000 0.804 315 L CB 0.811 42.663 42.059 -0.346 0.000 1.150 315 L HN 0.930 nan 8.230 nan 0.000 0.457 316 E N 1.262 121.398 120.200 -0.107 0.000 2.114 316 E HA -0.299 4.057 4.350 0.010 0.000 0.199 316 E C 1.117 177.698 176.600 -0.032 0.000 1.008 316 E CA 2.114 58.483 56.400 -0.052 0.000 0.810 316 E CB 0.115 29.801 29.700 -0.022 0.000 0.739 316 E HN 0.863 nan 8.360 nan 0.000 0.456 317 D N -1.064 119.317 120.400 -0.032 0.000 2.378 317 D HA -0.087 4.559 4.640 0.010 0.000 0.227 317 D C 1.129 177.437 176.300 0.014 0.000 1.012 317 D CA 0.993 54.992 54.000 -0.002 0.000 0.905 317 D CB -0.079 40.724 40.800 0.005 0.000 0.895 317 D HN 0.087 nan 8.370 nan 0.000 0.532 318 T N -0.853 113.694 114.554 -0.012 0.000 2.985 318 T HA 0.116 4.472 4.350 0.010 0.000 0.254 318 T C 1.959 176.699 174.700 0.067 0.000 1.021 318 T CA -0.055 62.067 62.100 0.036 0.000 0.957 318 T CB 0.481 69.328 68.868 -0.035 0.000 1.047 318 T HN -0.021 nan 8.240 nan 0.000 0.511 319 V N 2.350 122.279 119.914 0.025 0.000 2.252 319 V HA -0.238 3.888 4.120 0.010 0.000 0.249 319 V C 2.962 179.113 176.094 0.096 0.000 1.056 319 V CA 2.215 64.545 62.300 0.049 0.000 1.022 319 V CB -1.200 30.630 31.823 0.013 0.000 0.641 319 V HN 0.563 nan 8.190 nan 0.000 0.445 320 A N -0.597 122.274 122.820 0.084 0.000 1.865 320 A HA -0.319 4.007 4.320 0.010 0.000 0.217 320 A C 2.313 179.970 177.584 0.121 0.000 1.191 320 A CA 2.235 54.326 52.037 0.090 0.000 0.623 320 A CB -0.653 18.393 19.000 0.077 0.000 0.826 320 A HN 0.630 nan 8.150 nan 0.000 0.444 321 E N -1.653 118.650 120.200 0.172 0.000 2.085 321 E HA -0.213 4.143 4.350 0.010 0.000 0.194 321 E C 1.778 178.522 176.600 0.241 0.000 0.994 321 E CA 1.423 57.976 56.400 0.254 0.000 0.801 321 E CB -0.227 29.708 29.700 0.392 0.000 0.743 321 E HN 0.607 nan 8.360 nan 0.000 0.453 322 F N 0.401 120.339 119.950 -0.019 0.000 2.206 322 F HA -0.110 4.423 4.527 0.011 0.000 0.298 322 F C 2.010 177.758 175.800 -0.086 0.000 1.090 322 F CA 0.743 58.571 58.000 -0.286 0.000 1.323 322 F CB -0.192 38.514 39.000 -0.489 0.000 1.028 322 F HN -0.139 nan 8.300 nan 0.000 0.492 323 V N 0.479 120.383 119.914 -0.017 0.000 2.332 323 V HA -0.336 3.790 4.120 0.010 0.000 0.248 323 V C 2.738 178.836 176.094 0.007 0.000 1.055 323 V CA 1.858 64.159 62.300 0.002 0.000 1.038 323 V CB -1.483 30.393 31.823 0.089 0.000 0.651 323 V HN 0.454 nan 8.190 nan 0.000 0.450 324 A N -0.173 122.660 122.820 0.023 0.000 1.933 324 A HA -0.141 4.185 4.320 0.010 0.000 0.218 324 A C 2.418 180.005 177.584 0.005 0.000 1.175 324 A CA 2.133 54.189 52.037 0.032 0.000 0.628 324 A CB -0.746 18.286 19.000 0.054 0.000 0.814 324 A HN 0.588 nan 8.150 nan 0.000 0.444 325 A N -0.555 122.228 122.820 -0.061 0.000 1.902 325 A HA 0.016 4.341 4.320 0.010 0.000 0.217 325 A C 2.226 179.749 177.584 -0.101 0.000 1.181 325 A CA 1.761 53.754 52.037 -0.072 0.000 0.623 325 A CB -0.907 18.046 19.000 -0.079 0.000 0.818 325 A HN 0.397 nan 8.150 nan 0.000 0.443 326 V N 0.114 119.875 119.914 -0.254 0.000 2.295 326 V HA -0.287 3.838 4.120 0.010 0.000 0.246 326 V C 2.609 178.798 176.094 0.159 0.000 1.049 326 V CA 2.232 64.531 62.300 -0.001 0.000 1.024 326 V CB -0.887 30.913 31.823 -0.039 0.000 0.648 326 V HN 0.520 nan 8.190 nan 0.000 0.447 327 R N -0.604 119.932 120.500 0.059 0.000 2.096 327 R HA -0.250 4.095 4.340 0.010 0.000 0.240 327 R C 2.343 178.606 176.300 -0.061 0.000 1.139 327 R CA 2.233 58.268 56.100 -0.108 0.000 0.952 327 R CB -0.632 29.591 30.300 -0.128 0.000 0.854 327 R HN 0.706 nan 8.270 nan 0.000 0.436 328 H N 0.201 119.216 119.070 -0.091 0.000 2.321 328 H HA -0.005 4.557 4.556 0.010 0.000 0.300 328 H C 1.901 177.141 175.328 -0.147 0.000 1.087 328 H CA 2.185 58.174 56.048 -0.099 0.000 1.319 328 H CB -0.000 29.718 29.762 -0.073 0.000 1.379 328 H HN -0.010 nan 8.280 nan 0.000 0.501 329 S N -0.881 114.707 115.700 -0.185 0.000 2.436 329 S HA 0.037 4.512 4.470 0.010 0.000 0.228 329 S C -0.341 173.781 174.600 -0.796 0.000 1.014 329 S CA 0.556 58.447 58.200 -0.515 0.000 0.950 329 S CB 0.172 63.054 63.200 -0.530 0.000 0.784 329 S HN 0.342 nan 8.310 nan 0.000 0.504 330 F N 1.235 121.126 119.950 -0.097 0.000 2.660 330 F HA 0.384 4.916 4.527 0.008 0.000 0.352 330 F C -2.977 172.734 175.800 -0.149 0.000 1.257 330 F CA -2.665 55.287 58.000 -0.080 0.000 1.200 330 F CB 0.684 39.681 39.000 -0.005 0.000 1.473 330 F HN -0.185 nan 8.300 nan 0.000 0.561 331 P HA 0.056 nan 4.420 nan 0.000 0.260 331 P C -2.438 174.783 177.300 -0.132 0.000 1.185 331 P CA -0.671 62.346 63.100 -0.138 0.000 0.763 331 P CB 0.157 31.783 31.700 -0.124 0.000 0.776 332 P HA 0.070 nan 4.420 nan 0.000 0.269 332 P C -0.213 177.045 177.300 -0.069 0.000 1.209 332 P CA 0.137 63.104 63.100 -0.221 0.000 0.776 332 P CB 0.473 31.893 31.700 -0.466 0.000 0.876 333 A N 2.791 125.620 122.820 0.015 0.000 2.425 333 A HA 0.466 4.792 4.320 0.010 0.000 0.242 333 A C 0.370 177.967 177.584 0.021 0.000 1.077 333 A CA -0.063 51.988 52.037 0.023 0.000 0.781 333 A CB -0.298 18.732 19.000 0.050 0.000 1.020 333 A HN 0.552 nan 8.150 nan 0.000 0.494 334 A N 1.504 124.332 122.820 0.012 0.000 2.410 334 A HA 0.604 4.930 4.320 0.010 0.000 0.292 334 A C 0.581 178.179 177.584 0.024 0.000 1.232 334 A CA 0.853 52.897 52.037 0.011 0.000 0.893 334 A CB -1.416 17.585 19.000 0.002 0.000 1.131 334 A HN 2.515 nan 8.150 nan 0.000 0.530 339 F N 2.570 122.539 119.950 0.032 0.000 2.259 339 F HA 0.311 4.839 4.527 0.001 0.000 0.298 339 F C 0.642 176.491 175.800 0.083 0.000 1.088 339 F CA 0.725 58.767 58.000 0.069 0.000 1.358 339 F CB 0.354 39.386 39.000 0.053 0.000 1.040 339 F HN 0.472 nan 8.300 nan 0.000 0.505 340 L N 2.329 123.582 121.223 0.049 0.000 2.262 340 L HA 0.339 4.685 4.340 0.010 0.000 0.288 340 L C -0.598 176.252 176.870 -0.033 0.000 1.035 340 L CA -0.261 54.556 54.840 -0.039 0.000 0.820 340 L CB 0.491 42.571 42.059 0.035 0.000 1.204 340 L HN -0.092 nan 8.230 nan 0.000 0.424 341 K N 3.268 123.636 120.400 -0.053 0.000 2.139 341 K HA 0.852 5.177 4.320 0.010 0.000 0.243 341 K C 0.427 177.006 176.600 -0.035 0.000 0.983 341 K CA -0.336 55.920 56.287 -0.051 0.000 0.890 341 K CB 1.290 33.741 32.500 -0.083 0.000 1.090 341 K HN 0.805 nan 8.250 nan 0.000 0.445 342 G N 0.771 109.551 108.800 -0.033 0.000 2.509 342 G HA2 -0.283 3.682 3.960 0.010 0.000 0.259 342 G HA3 -0.283 3.682 3.960 0.010 0.000 0.259 342 G C -0.399 174.482 174.900 -0.032 0.000 1.169 342 G CA -0.606 44.476 45.100 -0.030 0.000 0.953 342 G HN 0.462 nan 8.290 nan 0.000 0.563 343 L N 1.399 122.600 121.223 -0.038 0.000 2.490 343 L HA 0.254 4.600 4.340 0.010 0.000 0.274 343 L C 0.685 177.542 176.870 -0.023 0.000 1.201 343 L CA 0.025 54.843 54.840 -0.037 0.000 0.869 343 L CB 0.519 42.552 42.059 -0.043 0.000 1.123 343 L HN 0.456 nan 8.230 nan 0.000 0.484 344 Q N 2.866 122.657 119.800 -0.016 0.000 2.256 344 Q HA 0.498 4.844 4.340 0.010 0.000 0.257 344 Q C -0.776 175.226 176.000 0.004 0.000 0.936 344 Q CA -0.377 55.424 55.803 -0.003 0.000 0.903 344 Q CB 2.787 31.524 28.738 -0.002 0.000 1.263 344 Q HN 0.416 nan 8.270 nan 0.000 0.440 345 V N 1.041 120.964 119.914 0.015 0.000 2.656 345 V HA 0.715 4.841 4.120 0.010 0.000 0.307 345 V C -0.786 175.327 176.094 0.031 0.000 1.051 345 V CA -0.728 61.585 62.300 0.022 0.000 0.893 345 V CB 1.919 33.757 31.823 0.026 0.000 0.999 345 V HN 0.917 nan 8.190 nan 0.000 0.426 346 A N 8.587 131.424 122.820 0.029 0.000 2.540 346 A HA 0.548 4.873 4.320 0.010 0.000 0.239 346 A C -2.167 175.442 177.584 0.040 0.000 1.061 346 A CA -0.563 51.493 52.037 0.032 0.000 0.758 346 A CB -0.337 18.679 19.000 0.027 0.000 0.991 346 A HN 0.746 nan 8.150 nan 0.000 0.502 347 P HA 0.402 nan 4.420 nan 0.000 0.275 347 P C -0.387 176.940 177.300 0.045 0.000 1.228 347 P CA -0.093 63.036 63.100 0.049 0.000 0.786 347 P CB 1.069 32.797 31.700 0.046 0.000 0.927 348 V N 0.022 119.967 119.914 0.052 0.000 3.113 348 V HA 0.595 4.721 4.120 0.010 0.000 0.316 348 V C -0.465 175.655 176.094 0.043 0.000 1.125 348 V CA -1.237 61.093 62.300 0.049 0.000 1.026 348 V CB 1.670 33.531 31.823 0.063 0.000 1.080 348 V HN 0.297 nan 8.190 nan 0.000 0.444 349 L N 2.078 123.321 121.223 0.034 0.000 2.325 349 L HA 0.521 4.867 4.340 0.010 0.000 0.279 349 L C -0.212 176.667 176.870 0.014 0.000 1.054 349 L CA -0.621 54.231 54.840 0.020 0.000 0.804 349 L CB 1.600 43.666 42.059 0.012 0.000 1.200 349 L HN 0.544 nan 8.230 nan 0.000 0.436 350 L N 1.951 123.167 121.223 -0.013 0.000 2.426 350 L HA 0.156 4.502 4.340 0.010 0.000 0.271 350 L C 0.822 177.654 176.870 -0.064 0.000 1.169 350 L CA -0.225 54.587 54.840 -0.046 0.000 0.836 350 L CB 1.238 43.218 42.059 -0.132 0.000 1.112 350 L HN 0.752 nan 8.230 nan 0.000 0.465 351 S N 0.530 116.192 115.700 -0.064 0.000 2.566 351 S HA -0.026 4.450 4.470 0.010 0.000 0.280 351 S C 0.665 175.210 174.600 -0.091 0.000 1.343 351 S CA -0.683 57.482 58.200 -0.059 0.000 1.036 351 S CB 0.864 64.040 63.200 -0.040 0.000 0.866 351 S HN 0.590 nan 8.310 nan 0.000 0.526 352 D N 1.859 122.227 120.400 -0.054 0.000 2.149 352 D HA -0.097 4.548 4.640 0.010 0.000 0.198 352 D C 1.764 178.033 176.300 -0.052 0.000 0.990 352 D CA 1.678 55.649 54.000 -0.049 0.000 0.839 352 D CB -0.322 40.465 40.800 -0.020 0.000 0.948 352 D HN 0.781 nan 8.370 nan 0.000 0.460 353 E N 0.100 120.285 120.200 -0.025 0.000 2.077 353 E HA -0.121 4.235 4.350 0.010 0.000 0.193 353 E C 1.910 178.464 176.600 -0.077 0.000 0.989 353 E CA 0.306 56.726 56.400 0.033 0.000 0.800 353 E CB -0.222 29.576 29.700 0.162 0.000 0.746 353 E HN 0.137 nan 8.360 nan 0.000 0.452 354 L N 1.225 122.252 121.223 -0.327 0.000 2.027 354 L HA -0.115 4.231 4.340 0.010 0.000 0.206 354 L C 1.626 178.304 176.870 -0.321 0.000 1.074 354 L CA 1.841 56.310 54.840 -0.619 0.000 0.745 354 L CB -0.331 41.328 42.059 -0.666 0.000 0.898 354 L HN -0.061 nan 8.230 nan 0.000 0.433 355 K N -0.350 119.865 120.400 -0.309 0.000 2.034 355 K HA -0.227 4.099 4.320 0.010 0.000 0.214 355 K C 2.041 178.581 176.600 -0.100 0.000 1.051 355 K CA 1.779 57.842 56.287 -0.373 0.000 0.931 355 K CB -0.574 31.736 32.500 -0.318 0.000 0.715 355 K HN 0.487 nan 8.250 nan 0.000 0.446 356 A N 1.229 124.017 122.820 -0.054 0.000 1.978 356 A HA -0.130 4.195 4.320 0.010 0.000 0.220 356 A C 2.269 179.867 177.584 0.024 0.000 1.170 356 A CA 1.907 53.947 52.037 0.006 0.000 0.636 356 A CB -0.558 18.447 19.000 0.009 0.000 0.810 356 A HN 0.391 nan 8.150 nan 0.000 0.448 357 A N -1.059 121.766 122.820 0.008 0.000 2.119 357 A HA 0.394 4.720 4.320 0.010 0.000 0.216 357 A C 1.211 178.834 177.584 0.064 0.000 1.152 357 A CA 0.262 52.330 52.037 0.051 0.000 0.708 357 A CB -0.245 18.805 19.000 0.084 0.000 0.805 357 A HN 0.447 nan 8.150 nan 0.000 0.460 358 L N -1.994 119.261 121.223 0.055 0.000 2.657 358 L HA 0.403 4.749 4.340 0.010 0.000 0.240 358 L C 0.909 177.833 176.870 0.090 0.000 1.151 358 L CA -0.749 54.151 54.840 0.101 0.000 0.831 358 L CB 0.421 42.565 42.059 0.142 0.000 1.539 358 L HN 0.055 nan 8.230 nan 0.000 0.511 363 S N 1.740 117.300 115.700 -0.233 0.000 2.528 363 S HA 0.463 4.939 4.470 0.010 0.000 0.303 363 S C -2.509 172.126 174.600 0.060 0.000 1.123 363 S CA -0.889 57.291 58.200 -0.033 0.000 1.138 363 S CB 0.687 63.954 63.200 0.113 0.000 0.984 363 S HN 0.299 nan 8.310 nan 0.000 0.474 364 P HA 0.156 nan 4.420 nan 0.000 0.264 364 P C 0.940 178.274 177.300 0.056 0.000 1.229 364 P CA 0.759 63.869 63.100 0.017 0.000 0.780 364 P CB 0.253 31.947 31.700 -0.011 0.000 0.808 365 G N 3.575 112.420 108.800 0.075 0.000 2.184 365 G HA2 -0.308 3.657 3.960 0.010 0.000 0.264 365 G HA3 -0.308 3.657 3.960 0.010 0.000 0.264 365 G C 1.206 176.170 174.900 0.107 0.000 0.975 365 G CA 0.289 45.443 45.100 0.090 0.000 0.642 365 G HN 0.657 nan 8.290 nan 0.000 0.536 366 G N -0.592 108.305 108.800 0.161 0.000 2.505 366 G HA2 0.093 4.058 3.960 0.010 0.000 0.220 366 G HA3 0.093 4.058 3.960 0.010 0.000 0.220 366 G C 0.804 175.675 174.900 -0.049 0.000 1.145 366 G CA 1.469 46.642 45.100 0.122 0.000 0.761 366 G HN 1.222 nan 8.290 nan 0.000 0.571 367 V N 0.803 120.706 119.914 -0.019 0.000 2.347 367 V HA 0.188 4.313 4.120 0.010 0.000 0.280 367 V C 0.837 177.011 176.094 0.134 0.000 1.021 367 V CA -0.431 61.839 62.300 -0.051 0.000 0.847 367 V CB 1.528 33.319 31.823 -0.053 0.000 0.990 367 V HN 0.391 nan 8.190 nan 0.000 0.444 368 Q N 3.823 123.610 119.800 -0.022 0.000 2.083 368 Q HA 0.029 4.375 4.340 0.010 0.000 0.198 368 Q C -0.166 175.957 176.000 0.204 0.000 0.969 368 Q CA 1.578 57.430 55.803 0.082 0.000 0.838 368 Q CB 0.240 28.969 28.738 -0.015 0.000 0.900 368 Q HN 0.884 nan 8.270 nan 0.000 0.436 369 Y N -3.542 116.663 120.300 -0.158 0.000 2.814 369 Y HA 0.536 5.091 4.550 0.009 0.000 0.348 369 Y C -1.548 173.995 175.900 -0.595 0.000 1.245 369 Y CA -1.460 56.331 58.100 -0.514 0.000 1.086 369 Y CB 0.787 39.096 38.460 -0.252 0.000 1.373 369 Y HN -0.226 nan 8.280 nan 0.000 0.451 370 I N 2.584 122.850 120.570 -0.507 0.000 2.465 370 I HA 0.479 4.655 4.170 0.010 0.000 0.291 370 I C -0.935 175.127 176.117 -0.093 0.000 1.014 370 I CA -0.883 60.212 61.300 -0.342 0.000 1.093 370 I CB 1.992 39.759 38.000 -0.388 0.000 1.267 370 I HN 0.487 nan 8.210 nan 0.000 0.431 371 I N 5.427 125.963 120.570 -0.058 0.000 2.321 371 I HA 0.482 4.657 4.170 0.010 0.000 0.291 371 I C 0.247 176.322 176.117 -0.070 0.000 0.998 371 I CA -0.283 61.006 61.300 -0.018 0.000 1.227 371 I CB 1.547 39.559 38.000 0.019 0.000 1.368 371 I HN 0.583 nan 8.210 nan 0.000 0.466 372 A N 4.780 127.564 122.820 -0.060 0.000 2.305 372 A HA 0.821 5.146 4.320 0.010 0.000 0.322 372 A C -0.160 177.386 177.584 -0.063 0.000 1.187 372 A CA -0.260 51.736 52.037 -0.069 0.000 0.825 372 A CB 1.446 20.416 19.000 -0.051 0.000 1.164 372 A HN 0.659 nan 8.150 nan 0.000 0.498 373 T N 0.095 114.601 114.554 -0.080 0.000 2.647 373 T HA 0.671 5.027 4.350 0.010 0.000 0.295 373 T C -1.210 173.453 174.700 -0.061 0.000 1.126 373 T CA -0.085 61.979 62.100 -0.059 0.000 1.040 373 T CB 1.255 70.097 68.868 -0.043 0.000 1.472 373 T HN 1.046 nan 8.240 nan 0.000 0.500 374 Q N -0.131 119.659 119.800 -0.017 0.000 2.693 374 Q HA 0.725 5.071 4.340 0.010 0.000 0.306 374 Q C -1.419 174.594 176.000 0.022 0.000 0.969 374 Q CA -1.025 54.774 55.803 -0.006 0.000 0.757 374 Q CB 1.176 29.924 28.738 0.016 0.000 1.494 374 Q HN 0.436 nan 8.270 nan 0.000 0.459 375 V N 0.701 120.618 119.914 0.005 0.000 2.637 375 V HA 0.572 4.698 4.120 0.010 0.000 0.296 375 V C 0.528 176.630 176.094 0.013 0.000 1.046 375 V CA 0.875 63.136 62.300 -0.065 0.000 1.066 375 V CB 0.573 32.305 31.823 -0.152 0.000 0.968 375 V HN 0.812 nan 8.190 nan 0.000 0.483 376 G N 4.896 113.631 108.800 -0.109 0.000 2.798 376 G HA2 0.761 4.727 3.960 0.010 0.000 0.286 376 G HA3 0.761 4.727 3.960 0.010 0.000 0.286 376 G C -3.109 171.646 174.900 -0.241 0.000 1.389 376 G CA -1.311 43.627 45.100 -0.270 0.000 0.894 376 G HN 0.541 nan 8.290 nan 0.000 0.488 377 P HA 0.314 nan 4.420 nan 0.000 0.279 377 P C 0.558 177.760 177.300 -0.163 0.000 1.276 377 P CA 0.001 63.017 63.100 -0.140 0.000 0.801 377 P CB 1.155 32.798 31.700 -0.095 0.000 1.127 378 G N 0.003 108.730 108.800 -0.122 0.000 2.553 378 G HA2 0.348 4.313 3.960 0.010 0.000 0.278 378 G HA3 0.348 4.313 3.960 0.010 0.000 0.278 378 G C -2.458 172.273 174.900 -0.282 0.000 1.349 378 G CA -1.273 43.711 45.100 -0.193 0.000 1.037 378 G HN 0.344 nan 8.290 nan 0.000 0.508 379 P HA 0.118 nan 4.420 nan 0.000 0.268 379 P C -0.675 176.256 177.300 -0.615 0.000 1.208 379 P CA 0.312 63.009 63.100 -0.672 0.000 0.777 379 P CB 0.514 31.449 31.700 -1.275 0.000 0.875 380 Q N 0.488 120.068 119.800 -0.367 0.000 2.331 380 Q HA 0.377 4.723 4.340 0.010 0.000 0.272 380 Q C -1.065 174.977 176.000 0.071 0.000 1.062 380 Q CA -0.917 54.832 55.803 -0.089 0.000 0.806 380 Q CB 2.004 30.698 28.738 -0.072 0.000 1.312 380 Q HN 0.114 nan 8.270 nan 0.000 0.431 381 V N 3.201 123.225 119.914 0.183 0.000 2.530 381 V HA 0.249 4.374 4.120 0.010 0.000 0.282 381 V C 0.541 176.676 176.094 0.067 0.000 1.048 381 V CA -0.336 62.060 62.300 0.160 0.000 0.997 381 V CB 0.507 32.421 31.823 0.151 0.000 0.987 381 V HN 0.544 nan 8.190 nan 0.000 0.477 382 L N 4.559 125.800 121.223 0.030 0.000 2.395 382 L HA 0.389 4.735 4.340 0.010 0.000 0.269 382 L C 0.492 177.412 176.870 0.084 0.000 1.133 382 L CA -0.718 54.114 54.840 -0.013 0.000 0.812 382 L CB 0.988 42.947 42.059 -0.166 0.000 1.125 382 L HN 0.773 nan 8.230 nan 0.000 0.452 383 D N 0.485 120.984 120.400 0.165 0.000 2.414 383 D HA -0.052 4.594 4.640 0.010 0.000 0.259 383 D C 0.416 176.768 176.300 0.087 0.000 1.269 383 D CA -0.469 53.603 54.000 0.120 0.000 1.028 383 D CB 0.424 41.281 40.800 0.095 0.000 1.093 383 D HN 0.618 nan 8.370 nan 0.000 0.545 384 D N -1.819 118.591 120.400 0.016 0.000 2.336 384 D HA -0.063 4.582 4.640 0.010 0.000 0.229 384 D C 1.169 177.419 176.300 -0.084 0.000 1.061 384 D CA 0.148 54.121 54.000 -0.044 0.000 0.875 384 D CB -0.456 40.333 40.800 -0.018 0.000 0.904 384 D HN 0.303 nan 8.370 nan 0.000 0.525 385 T N -0.144 114.340 114.554 -0.116 0.000 2.867 385 T HA -0.077 4.279 4.350 0.010 0.000 0.268 385 T C 0.554 175.045 174.700 -0.348 0.000 1.057 385 T CA 0.687 62.633 62.100 -0.258 0.000 1.136 385 T CB -0.170 68.475 68.868 -0.372 0.000 0.874 385 T HN 0.402 nan 8.240 nan 0.000 0.466 386 H N 1.878 120.890 119.070 -0.098 0.000 2.487 386 H HA 0.270 4.832 4.556 0.009 0.000 0.333 386 H C -0.379 174.838 175.328 -0.185 0.000 1.114 386 H CA -0.556 55.424 56.048 -0.113 0.000 1.310 386 H CB 0.695 30.399 29.762 -0.096 0.000 1.462 386 H HN 0.262 nan 8.280 nan 0.000 0.516 387 D N 1.834 122.208 120.400 -0.042 0.000 2.304 387 D HA 0.083 4.728 4.640 0.010 0.000 0.247 387 D C 0.669 176.903 176.300 -0.110 0.000 1.089 387 D CA -0.211 53.730 54.000 -0.098 0.000 0.910 387 D CB 1.035 41.812 40.800 -0.038 0.000 1.199 387 D HN 0.438 nan 8.370 nan 0.000 0.426 388 H N 0.959 120.038 119.070 0.015 0.000 2.679 388 H HA 0.078 4.639 4.556 0.010 0.000 0.369 388 H C 1.260 176.574 175.328 -0.023 0.000 1.178 388 H CA -0.062 55.987 56.048 0.001 0.000 1.419 388 H CB 1.175 30.937 29.762 -0.001 0.000 1.458 388 H HN 0.267 nan 8.280 nan 0.000 0.605 389 L N 1.391 122.677 121.223 0.104 0.000 2.554 389 L HA 0.081 4.427 4.340 0.010 0.000 0.226 389 L C 0.437 177.275 176.870 -0.052 0.000 1.137 389 L CA 0.539 55.382 54.840 0.005 0.000 0.863 389 L CB -0.017 42.036 42.059 -0.011 0.000 0.985 389 L HN 0.170 nan 8.230 nan 0.000 0.451 390 L N -1.008 120.205 121.223 -0.017 0.000 2.334 390 L HA 0.558 4.904 4.340 0.010 0.000 0.276 390 L C 0.759 177.612 176.870 -0.027 0.000 1.014 390 L CA -0.640 54.151 54.840 -0.082 0.000 0.815 390 L CB 1.623 43.638 42.059 -0.074 0.000 1.268 390 L HN -0.114 nan 8.230 nan 0.000 0.428 391 G N -0.057 108.709 108.800 -0.056 0.000 2.508 391 G HA2 0.388 4.354 3.960 0.010 0.000 0.278 391 G HA3 0.388 4.354 3.960 0.010 0.000 0.278 391 G C 0.730 175.627 174.900 -0.005 0.000 1.389 391 G CA 0.514 45.601 45.100 -0.022 0.000 1.050 391 G HN 0.661 nan 8.290 nan 0.000 0.522 392 Q N -0.747 119.053 119.800 0.000 0.000 2.170 392 Q HA -0.108 4.237 4.340 0.010 0.000 0.203 392 Q C 2.020 178.029 176.000 0.014 0.000 0.976 392 Q CA 2.282 58.086 55.803 0.002 0.000 0.858 392 Q CB -0.809 27.928 28.738 -0.002 0.000 0.907 392 Q HN 0.786 nan 8.270 nan 0.000 0.433 393 D N -2.553 117.860 120.400 0.022 0.000 2.347 393 D HA 0.243 4.889 4.640 0.010 0.000 0.215 393 D C 1.257 177.637 176.300 0.133 0.000 0.976 393 D CA 0.992 55.028 54.000 0.060 0.000 0.884 393 D CB -0.344 40.479 40.800 0.038 0.000 0.915 393 D HN 0.936 nan 8.370 nan 0.000 0.526 394 G N -0.550 108.309 108.800 0.098 0.000 2.132 394 G HA2 -0.182 3.784 3.960 0.010 0.000 0.234 394 G HA3 -0.182 3.784 3.960 0.010 0.000 0.234 394 G C -0.409 174.495 174.900 0.007 0.000 0.989 394 G CA 0.190 45.370 45.100 0.134 0.000 0.676 394 G HN 0.307 nan 8.290 nan 0.000 0.522 395 L N 0.085 121.238 121.223 -0.116 0.000 2.333 395 L HA 0.698 5.044 4.340 0.010 0.000 0.269 395 L C -2.064 174.544 176.870 -0.438 0.000 1.010 395 L CA -2.638 51.982 54.840 -0.366 0.000 0.818 395 L CB 1.535 43.464 42.059 -0.216 0.000 1.306 395 L HN -0.195 nan 8.230 nan 0.000 0.430 396 P HA 0.069 nan 4.420 nan 0.000 0.265 396 P C -1.015 176.112 177.300 -0.289 0.000 1.187 396 P CA -0.073 62.715 63.100 -0.519 0.000 0.766 396 P CB 0.265 31.541 31.700 -0.707 0.000 0.820 397 Q N 0.000 119.689 119.800 -0.184 0.000 2.315 397 Q HA 0.000 4.346 4.340 0.010 0.000 0.214 397 Q CA 0.000 55.734 55.803 -0.114 0.000 1.022 397 Q CB 0.000 28.694 28.738 -0.073 0.000 1.108 397 Q HN 0.000 nan 8.270 nan 0.000 0.481