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 3k4n_1_B DATA FIRST_RESID 46 DATA SEQUENCE KYDVVIVGSG PIGCTYAREL VGAGYKVAMF DIGEIDSGLK IGAHKKNTVE DATA SEQUENCE YQKNIDKFVN VIQGQLMSVS VPVNTLVVDT LSPTSWQAST FFVRNGSNPE DATA SEQUENCE QDPLRNLSGQ AVTRVVGGMS THWTCATPRF DREQRPLLVK DDADADDAEW DATA SEQUENCE DRLYTKAESY FQTGTDQFKE SIRHNLVLNK LTEEYKGQRD FQQIPLAATR DATA SEQUENCE RSPTFVEWSS ANTVFDLQNR PNTDAPEERF NLFPAVACER VVRNALNSEI DATA SEQUENCE ESLHIHDLIS GDRFEIKADV YVLTAGAVHN TQLLVNSGFG QLGRPNPANP DATA SEQUENCE PELLPSLGSY ITEQSLVFCQ TVMSTELIDS VKSDMTIRGT PGELTYSVTY DATA SEQUENCE TPGASTNKHP DWWNEKVKNH MMQHQEDPLP IPFEDPEPQV TTLFQPSHPW DATA SEQUENCE HTQIHRDAAA AGAVQQSIDS RLIVDWRFFG RTEPKEENKL WFSDKITDAY DATA SEQUENCE NMPQPTFDFR FPAGRTSKEA EDMMTDMCVM SAKIGGFLPG SLPQFMEPGL DATA SEQUENCE VLHLGGTHRM GFDEKEDNCC VNTDSRVFGF KNLFLGGCGN IPTAYGANPT DATA SEQUENCE LTAMSLAIKS CEYIKQNFTP SPF 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 46 K HA 0.000 nan 4.320 nan 0.000 0.191 46 K C 0.000 176.300 176.600 -0.500 0.000 0.988 46 K CA 0.000 56.161 56.287 -0.211 0.000 0.838 46 K CB 0.000 32.439 32.500 -0.102 0.000 1.064 47 Y N 1.273 121.585 120.300 0.021 0.000 2.665 47 Y HA 0.373 4.925 4.550 0.004 0.000 0.336 47 Y C 0.666 176.560 175.900 -0.011 0.000 1.085 47 Y CA -0.756 57.346 58.100 0.005 0.000 1.096 47 Y CB 1.751 40.205 38.460 -0.009 0.000 1.301 47 Y HN 0.607 nan 8.280 nan 0.000 0.493 48 D N -0.140 120.373 120.400 0.189 0.000 2.144 48 D HA 0.058 4.701 4.640 0.004 0.000 0.207 48 D C -0.285 176.023 176.300 0.014 0.000 0.970 48 D CA 1.369 55.453 54.000 0.138 0.000 0.853 48 D CB 0.249 41.203 40.800 0.256 0.000 1.007 48 D HN 0.104 nan 8.370 nan 0.000 0.469 49 V N 1.075 120.987 119.914 -0.004 0.000 2.680 49 V HA 0.451 4.573 4.120 0.004 0.000 0.309 49 V C -0.315 175.681 176.094 -0.164 0.000 1.052 49 V CA -0.982 61.224 62.300 -0.158 0.000 0.908 49 V CB 2.466 34.177 31.823 -0.188 0.000 1.001 49 V HN 0.036 nan 8.190 nan 0.000 0.431 50 V N 3.552 123.331 119.914 -0.224 0.000 2.588 50 V HA 0.726 4.848 4.120 0.004 0.000 0.304 50 V C -0.783 175.242 176.094 -0.115 0.000 1.042 50 V CA -0.529 61.674 62.300 -0.162 0.000 0.877 50 V CB 1.671 33.484 31.823 -0.016 0.000 0.996 50 V HN 0.691 nan 8.190 nan 0.000 0.425 51 I N 4.757 125.258 120.570 -0.116 0.000 2.412 51 I HA 0.538 4.710 4.170 0.004 0.000 0.296 51 I C -0.485 175.633 176.117 0.001 0.000 0.987 51 I CA -0.981 60.260 61.300 -0.099 0.000 1.180 51 I CB 2.152 40.094 38.000 -0.097 0.000 1.340 51 I HN 0.457 nan 8.210 nan 0.000 0.455 52 V N 5.333 125.251 119.914 0.007 0.000 2.311 52 V HA 0.812 4.934 4.120 0.004 0.000 0.275 52 V C 0.336 176.433 176.094 0.005 0.000 1.022 52 V CA -0.272 62.063 62.300 0.059 0.000 0.830 52 V CB 0.572 32.419 31.823 0.041 0.000 1.012 52 V HN 1.072 nan 8.190 nan 0.000 0.452 53 G N 3.887 112.702 108.800 0.026 0.000 2.742 53 G HA2 0.056 4.018 3.960 0.004 0.000 0.686 53 G HA3 0.056 4.018 3.960 0.004 0.000 0.686 53 G C -0.203 174.705 174.900 0.012 0.000 1.220 53 G CA -0.283 44.819 45.100 0.004 0.000 0.783 53 G HN 1.242 nan 8.290 nan 0.000 0.646 54 S N 0.486 116.194 115.700 0.013 0.000 2.661 54 S HA 0.638 5.110 4.470 0.004 0.000 0.245 54 S C 1.128 175.729 174.600 0.001 0.000 1.117 54 S CA 0.609 58.825 58.200 0.028 0.000 1.091 54 S CB 0.719 63.950 63.200 0.051 0.000 0.887 54 S HN 1.890 nan 8.310 nan 0.000 0.491 55 G N 2.605 111.394 108.800 -0.019 0.000 2.553 55 G HA2 0.433 4.395 3.960 0.004 0.000 0.278 55 G HA3 0.433 4.395 3.960 0.004 0.000 0.278 55 G C -1.293 173.575 174.900 -0.054 0.000 1.349 55 G CA -1.453 43.615 45.100 -0.053 0.000 1.037 55 G HN 0.236 nan 8.290 nan 0.000 0.508 56 P HA -0.081 nan 4.420 nan 0.000 0.218 56 P C 1.729 178.988 177.300 -0.068 0.000 1.148 56 P CA 0.793 63.850 63.100 -0.072 0.000 0.822 56 P CB 0.144 31.813 31.700 -0.052 0.000 0.784 57 I N 0.006 120.559 120.570 -0.027 0.000 2.333 57 I HA -0.008 4.164 4.170 0.004 0.000 0.246 57 I C 2.686 178.863 176.117 0.099 0.000 1.106 57 I CA 1.203 62.519 61.300 0.026 0.000 1.411 57 I CB -2.368 35.672 38.000 0.066 0.000 1.082 57 I HN -0.017 nan 8.210 nan 0.000 0.420 58 G N 0.297 109.131 108.800 0.057 0.000 2.440 58 G HA2 -0.253 3.710 3.960 0.004 0.000 0.218 58 G HA3 -0.253 3.710 3.960 0.004 0.000 0.218 58 G C 1.787 176.693 174.900 0.011 0.000 1.154 58 G CA 1.192 46.317 45.100 0.042 0.000 0.767 58 G HN 0.424 nan 8.290 nan 0.000 0.552 59 C N 0.565 119.846 119.300 -0.031 0.000 2.425 59 C HA -0.010 4.452 4.460 0.004 0.000 0.277 59 C C 3.214 178.090 174.990 -0.190 0.000 1.280 59 C CA 1.425 60.379 59.018 -0.106 0.000 1.744 59 C CB -1.088 26.635 27.740 -0.028 0.000 1.989 59 C HN 0.461 nan 8.230 nan 0.000 0.491 60 T N 0.162 114.638 114.554 -0.130 0.000 2.720 60 T HA -0.211 4.141 4.350 0.004 0.000 0.268 60 T C 1.446 176.002 174.700 -0.241 0.000 1.037 60 T CA 1.872 63.870 62.100 -0.169 0.000 1.144 60 T CB -0.450 68.321 68.868 -0.161 0.000 0.864 60 T HN 0.605 nan 8.240 nan 0.000 0.444 61 Y N 1.295 121.461 120.300 -0.223 0.000 2.200 61 Y HA 0.028 4.581 4.550 0.004 0.000 0.290 61 Y C 2.757 178.435 175.900 -0.369 0.000 1.137 61 Y CA 0.699 58.641 58.100 -0.264 0.000 1.163 61 Y CB -0.663 37.658 38.460 -0.230 0.000 0.988 61 Y HN 0.189 nan 8.280 nan 0.000 0.518 62 A N 0.313 122.943 122.820 -0.317 0.000 1.883 62 A HA -0.253 4.069 4.320 0.004 0.000 0.217 62 A C 2.320 179.260 177.584 -1.072 0.000 1.186 62 A CA 1.962 53.551 52.037 -0.746 0.000 0.624 62 A CB -0.672 17.696 19.000 -1.053 0.000 0.822 62 A HN 0.389 nan 8.150 nan 0.000 0.444 63 R N -0.472 119.490 120.500 -0.897 0.000 2.075 63 R HA -0.105 4.237 4.340 0.004 0.000 0.232 63 R C 1.919 177.982 176.300 -0.397 0.000 1.126 63 R CA 1.522 57.218 56.100 -0.673 0.000 0.963 63 R CB -0.213 29.782 30.300 -0.508 0.000 0.858 63 R HN 0.627 nan 8.270 nan 0.000 0.435 64 E N 0.383 120.395 120.200 -0.313 0.000 2.107 64 E HA -0.128 4.224 4.350 0.004 0.000 0.191 64 E C 2.147 178.652 176.600 -0.159 0.000 0.982 64 E CA 0.868 57.155 56.400 -0.189 0.000 0.809 64 E CB 0.019 29.611 29.700 -0.180 0.000 0.756 64 E HN 0.373 nan 8.360 nan 0.000 0.459 65 L N 0.455 121.547 121.223 -0.219 0.000 2.127 65 L HA -0.073 4.269 4.340 0.004 0.000 0.203 65 L C 2.548 179.422 176.870 0.005 0.000 1.080 65 L CA 0.405 55.143 54.840 -0.170 0.000 0.768 65 L CB -0.351 41.520 42.059 -0.313 0.000 0.924 65 L HN -0.052 nan 8.230 nan 0.000 0.444 66 V N 0.519 120.360 119.914 -0.120 0.000 2.343 66 V HA -0.208 3.915 4.120 0.004 0.000 0.247 66 V C 2.624 178.737 176.094 0.030 0.000 1.051 66 V CA 2.046 64.335 62.300 -0.019 0.000 1.036 66 V CB -1.257 30.504 31.823 -0.103 0.000 0.654 66 V HN 0.568 nan 8.190 nan 0.000 0.451 67 G N -0.397 108.385 108.800 -0.029 0.000 2.418 67 G HA2 -0.179 3.784 3.960 0.004 0.000 0.217 67 G HA3 -0.179 3.784 3.960 0.004 0.000 0.217 67 G C 1.730 176.649 174.900 0.032 0.000 1.158 67 G CA 0.910 46.009 45.100 -0.002 0.000 0.771 67 G HN 0.611 nan 8.290 nan 0.000 0.545 68 A N -0.425 122.441 122.820 0.077 0.000 2.015 68 A HA 0.393 4.716 4.320 0.004 0.000 0.219 68 A C 2.030 179.664 177.584 0.084 0.000 1.163 68 A CA 1.945 54.057 52.037 0.125 0.000 0.646 68 A CB -0.364 18.799 19.000 0.273 0.000 0.806 68 A HN 1.636 nan 8.150 nan 0.000 0.448 69 G N -3.787 105.075 108.800 0.104 0.000 2.234 69 G HA2 -0.097 3.866 3.960 0.004 0.000 0.153 69 G HA3 -0.097 3.866 3.960 0.004 0.000 0.153 69 G C -0.119 174.779 174.900 -0.003 0.000 1.013 69 G CA -0.153 44.950 45.100 0.004 0.000 0.712 69 G HN 0.289 nan 8.290 nan 0.000 0.491 70 Y N 0.552 120.867 120.300 0.024 0.000 2.326 70 Y HA 0.595 5.148 4.550 0.004 0.000 0.324 70 Y C 0.988 176.926 175.900 0.064 0.000 1.291 70 Y CA -0.497 57.624 58.100 0.035 0.000 1.348 70 Y CB 0.810 39.275 38.460 0.007 0.000 1.294 70 Y HN -0.083 nan 8.280 nan 0.000 0.525 71 K N 2.121 122.666 120.400 0.241 0.000 2.250 71 K HA 0.435 4.757 4.320 0.004 0.000 0.280 71 K C -1.734 175.007 176.600 0.235 0.000 1.098 71 K CA -0.137 56.280 56.287 0.215 0.000 0.916 71 K CB 0.050 32.653 32.500 0.172 0.000 1.209 71 K HN 0.459 nan 8.250 nan 0.000 0.461 72 V N 2.955 122.975 119.914 0.176 0.000 2.459 72 V HA 0.496 4.619 4.120 0.004 0.000 0.295 72 V C -0.223 175.741 176.094 -0.216 0.000 1.029 72 V CA -1.015 61.314 62.300 0.048 0.000 0.874 72 V CB 1.469 33.367 31.823 0.125 0.000 0.985 72 V HN 0.801 nan 8.190 nan 0.000 0.438 73 A N 6.141 128.654 122.820 -0.511 0.000 2.304 73 A HA 0.878 5.200 4.320 0.004 0.000 0.323 73 A C -0.523 176.641 177.584 -0.699 0.000 1.195 73 A CA -0.534 50.939 52.037 -0.940 0.000 0.826 73 A CB 1.187 19.192 19.000 -1.657 0.000 1.184 73 A HN 0.915 nan 8.150 nan 0.000 0.496 74 M N 2.946 122.100 119.600 -0.743 0.000 2.383 74 M HA 0.744 5.226 4.480 0.004 0.000 0.325 74 M C -2.055 173.890 176.300 -0.591 0.000 1.092 74 M CA -0.460 54.578 55.300 -0.436 0.000 0.961 74 M CB 1.021 33.609 32.600 -0.020 0.000 1.672 74 M HN 0.584 nan 8.290 nan 0.000 0.438 75 F N 2.077 122.028 119.950 0.001 0.000 2.508 75 F HA 0.570 5.099 4.527 0.003 0.000 0.325 75 F C -0.132 175.669 175.800 0.001 0.000 1.090 75 F CA -0.616 57.401 58.000 0.029 0.000 0.945 75 F CB 1.417 40.424 39.000 0.012 0.000 1.156 75 F HN 0.452 nan 8.300 nan 0.000 0.463 76 D N 2.326 122.834 120.400 0.180 0.000 2.896 76 D HA 0.224 4.867 4.640 0.004 0.000 0.241 76 D C 0.654 176.977 176.300 0.038 0.000 1.188 76 D CA -0.350 53.692 54.000 0.071 0.000 0.879 76 D CB 2.447 43.270 40.800 0.039 0.000 1.553 76 D HN 0.641 nan 8.370 nan 0.000 0.515 77 I N 2.140 122.678 120.570 -0.053 0.000 2.264 77 I HA -0.053 4.119 4.170 0.004 0.000 0.248 77 I C 1.167 177.232 176.117 -0.087 0.000 1.111 77 I CA 1.128 62.347 61.300 -0.136 0.000 1.382 77 I CB 0.113 37.915 38.000 -0.329 0.000 1.060 77 I HN 0.363 nan 8.210 nan 0.000 0.418 78 G N 0.202 108.967 108.800 -0.059 0.000 2.528 78 G HA2 0.354 4.316 3.960 0.004 0.000 0.289 78 G HA3 0.354 4.316 3.960 0.004 0.000 0.289 78 G C -0.736 174.176 174.900 0.020 0.000 1.192 78 G CA -0.487 44.607 45.100 -0.010 0.000 0.921 78 G HN 0.361 nan 8.290 nan 0.000 0.512 79 E N -0.788 119.431 120.200 0.032 0.000 2.259 79 E HA 0.350 4.703 4.350 0.004 0.000 0.257 79 E C -0.380 176.244 176.600 0.039 0.000 0.998 79 E CA -0.817 55.607 56.400 0.040 0.000 0.866 79 E CB 2.105 31.831 29.700 0.043 0.000 1.220 79 E HN 0.283 nan 8.360 nan 0.000 0.415 80 I N 2.378 122.973 120.570 0.040 0.000 2.517 80 I HA -0.029 4.144 4.170 0.004 0.000 0.285 80 I C 0.328 176.472 176.117 0.046 0.000 1.106 80 I CA 0.466 61.790 61.300 0.041 0.000 1.402 80 I CB 0.092 38.113 38.000 0.035 0.000 1.399 80 I HN 0.613 nan 8.210 nan 0.000 0.535 81 D N 1.702 122.134 120.400 0.054 0.000 2.460 81 D HA -0.049 4.594 4.640 0.004 0.000 0.263 81 D C 0.662 177.010 176.300 0.081 0.000 1.209 81 D CA -0.088 53.949 54.000 0.062 0.000 0.818 81 D CB -0.064 40.772 40.800 0.059 0.000 1.239 81 D HN 0.272 nan 8.370 nan 0.000 0.530 82 S N 1.230 116.981 115.700 0.086 0.000 3.048 82 S HA 0.466 4.938 4.470 0.004 0.000 0.254 82 S C 1.313 175.979 174.600 0.110 0.000 1.084 82 S CA 0.221 58.489 58.200 0.113 0.000 1.195 82 S CB -0.860 62.407 63.200 0.112 0.000 0.870 82 S HN 0.735 nan 8.310 nan 0.000 0.483 83 G N 1.694 110.549 108.800 0.093 0.000 2.606 83 G HA2 -0.290 3.672 3.960 0.004 0.000 0.285 83 G HA3 -0.290 3.672 3.960 0.004 0.000 0.285 83 G C 0.629 175.567 174.900 0.063 0.000 1.311 83 G CA 0.074 45.221 45.100 0.078 0.000 0.922 83 G HN 0.411 nan 8.290 nan 0.000 0.559 84 L N -0.219 121.036 121.223 0.053 0.000 2.131 84 L HA -0.014 4.328 4.340 0.004 0.000 0.210 84 L C 1.783 178.669 176.870 0.027 0.000 1.092 84 L CA 1.505 56.366 54.840 0.034 0.000 0.759 84 L CB -0.407 41.667 42.059 0.025 0.000 0.903 84 L HN 0.423 nan 8.230 nan 0.000 0.435 85 K N 1.565 121.990 120.400 0.041 0.000 2.110 85 K HA 0.198 4.520 4.320 0.004 0.000 0.260 85 K C -0.208 176.415 176.600 0.038 0.000 1.126 85 K CA -0.248 56.059 56.287 0.034 0.000 1.005 85 K CB 0.037 32.571 32.500 0.057 0.000 1.336 85 K HN 0.124 nan 8.250 nan 0.000 0.369 86 I N 2.176 122.754 120.570 0.013 0.000 2.943 86 I HA -0.191 3.982 4.170 0.004 0.000 0.296 86 I C 1.384 177.515 176.117 0.023 0.000 1.220 86 I CA 1.081 62.391 61.300 0.016 0.000 1.409 86 I CB -0.147 37.851 38.000 -0.003 0.000 1.374 86 I HN 0.927 nan 8.210 nan 0.000 0.545 87 G N 4.039 112.865 108.800 0.043 0.000 2.141 87 G HA2 -0.164 3.798 3.960 0.004 0.000 0.242 87 G HA3 -0.164 3.798 3.960 0.004 0.000 0.242 87 G C 0.329 175.274 174.900 0.075 0.000 0.982 87 G CA -0.099 45.029 45.100 0.046 0.000 0.662 87 G HN 1.001 nan 8.290 nan 0.000 0.527 88 A N -0.121 122.761 122.820 0.104 0.000 2.313 88 A HA 0.586 4.909 4.320 0.004 0.000 0.261 88 A C 0.602 178.314 177.584 0.213 0.000 1.090 88 A CA -0.188 51.949 52.037 0.167 0.000 0.807 88 A CB 0.220 19.319 19.000 0.166 0.000 1.055 88 A HN 0.703 nan 8.150 nan 0.000 0.492 89 H N 0.966 120.164 119.070 0.213 0.000 2.975 89 H HA 0.071 4.629 4.556 0.003 0.000 0.303 89 H C 0.701 176.156 175.328 0.212 0.000 1.023 89 H CA 0.667 56.859 56.048 0.239 0.000 1.473 89 H CB 0.650 30.584 29.762 0.287 0.000 1.498 89 H HN 0.651 nan 8.280 nan 0.000 0.549 90 K N 3.855 124.441 120.400 0.310 0.000 2.574 90 K HA -0.121 4.201 4.320 0.004 0.000 0.193 90 K C 1.493 178.341 176.600 0.414 0.000 1.035 90 K CA 0.588 57.105 56.287 0.382 0.000 0.982 90 K CB 0.368 33.095 32.500 0.379 0.000 0.795 90 K HN 0.427 nan 8.250 nan 0.000 0.491 91 K N 0.869 121.457 120.400 0.312 0.000 2.393 91 K HA 0.033 4.355 4.320 0.004 0.000 0.193 91 K C 0.351 176.991 176.600 0.066 0.000 1.026 91 K CA 0.206 56.371 56.287 -0.203 0.000 1.064 91 K CB 0.348 32.370 32.500 -0.796 0.000 0.833 91 K HN -0.068 nan 8.250 nan 0.000 0.521 92 N N 1.970 120.797 118.700 0.212 0.000 2.802 92 N HA 0.002 4.744 4.740 0.004 0.000 0.288 92 N C -0.856 174.887 175.510 0.387 0.000 1.268 92 N CA 0.223 53.410 53.050 0.229 0.000 1.035 92 N CB 0.797 39.459 38.487 0.290 0.000 1.353 92 N HN 0.300 nan 8.380 nan 0.000 0.522 93 T N -4.565 110.206 114.554 0.360 0.000 2.942 93 T HA 0.375 4.727 4.350 0.004 0.000 0.289 93 T C 1.370 176.299 174.700 0.381 0.000 1.044 93 T CA -0.719 61.588 62.100 0.344 0.000 1.023 93 T CB 1.480 70.505 68.868 0.261 0.000 1.123 93 T HN -0.185 nan 8.240 nan 0.000 0.512 94 V N 0.931 121.020 119.914 0.291 0.000 2.453 94 V HA -0.038 4.085 4.120 0.004 0.000 0.247 94 V C 2.757 178.949 176.094 0.164 0.000 1.048 94 V CA 2.218 64.673 62.300 0.259 0.000 1.049 94 V CB -0.869 31.027 31.823 0.121 0.000 0.672 94 V HN 1.041 nan 8.190 nan 0.000 0.457 95 E N -0.051 120.199 120.200 0.085 0.000 2.017 95 E HA -0.234 4.118 4.350 0.004 0.000 0.193 95 E C 2.093 178.714 176.600 0.034 0.000 0.997 95 E CA 1.855 58.250 56.400 -0.008 0.000 0.804 95 E CB -0.430 29.183 29.700 -0.145 0.000 0.757 95 E HN 0.594 nan 8.360 nan 0.000 0.448 96 Y N 1.169 121.545 120.300 0.127 0.000 2.256 96 Y HA -0.140 4.412 4.550 0.003 0.000 0.288 96 Y C 2.310 178.247 175.900 0.061 0.000 1.155 96 Y CA 1.482 59.655 58.100 0.121 0.000 1.203 96 Y CB -0.252 38.306 38.460 0.164 0.000 0.980 96 Y HN 0.233 nan 8.280 nan 0.000 0.530 97 Q N -0.184 119.727 119.800 0.186 0.000 2.230 97 Q HA -0.126 4.216 4.340 0.004 0.000 0.202 97 Q C 1.417 177.477 176.000 0.100 0.000 0.963 97 Q CA 0.984 56.837 55.803 0.083 0.000 0.866 97 Q CB -0.137 28.579 28.738 -0.036 0.000 0.931 97 Q HN 0.448 nan 8.270 nan 0.000 0.452 98 K N 0.536 121.003 120.400 0.112 0.000 2.458 98 K HA 0.090 4.413 4.320 0.004 0.000 0.194 98 K C 0.076 176.725 176.600 0.082 0.000 1.024 98 K CA 0.071 56.409 56.287 0.084 0.000 1.108 98 K CB 0.467 33.007 32.500 0.066 0.000 0.846 98 K HN 0.050 nan 8.250 nan 0.000 0.518 99 N N 0.765 119.537 118.700 0.120 0.000 2.679 99 N HA 0.027 4.770 4.740 0.004 0.000 0.240 99 N C -0.074 175.557 175.510 0.203 0.000 1.537 99 N CA 0.033 53.164 53.050 0.136 0.000 0.793 99 N CB 0.755 39.317 38.487 0.124 0.000 1.391 99 N HN -0.018 nan 8.380 nan 0.000 0.524 100 I N 2.207 122.868 120.570 0.152 0.000 2.179 100 I HA -0.243 3.930 4.170 0.004 0.000 0.242 100 I C 1.995 178.212 176.117 0.167 0.000 1.088 100 I CA 1.775 63.165 61.300 0.150 0.000 1.357 100 I CB -0.084 37.968 38.000 0.087 0.000 1.051 100 I HN 0.335 nan 8.210 nan 0.000 0.409 101 D N 0.407 120.882 120.400 0.124 0.000 2.345 101 D HA -0.313 4.329 4.640 0.004 0.000 0.190 101 D C 1.677 178.055 176.300 0.130 0.000 1.024 101 D CA 1.785 55.848 54.000 0.105 0.000 0.893 101 D CB -0.888 39.960 40.800 0.081 0.000 0.907 101 D HN 0.304 nan 8.370 nan 0.000 0.452 102 K N -0.908 119.610 120.400 0.196 0.000 2.439 102 K HA -0.012 4.310 4.320 0.004 0.000 0.197 102 K C 1.818 178.557 176.600 0.231 0.000 1.041 102 K CA 0.049 56.478 56.287 0.236 0.000 0.970 102 K CB -0.450 32.236 32.500 0.310 0.000 0.773 102 K HN 0.287 nan 8.250 nan 0.000 0.479 103 F N 1.169 121.121 119.950 0.003 0.000 2.325 103 F HA -0.123 4.407 4.527 0.004 0.000 0.299 103 F C 2.058 177.755 175.800 -0.172 0.000 1.090 103 F CA 0.313 58.157 58.000 -0.260 0.000 1.392 103 F CB -0.197 38.626 39.000 -0.294 0.000 1.053 103 F HN -0.226 nan 8.300 nan 0.000 0.521 104 V N 0.899 120.772 119.914 -0.067 0.000 2.363 104 V HA -0.421 3.701 4.120 0.004 0.000 0.254 104 V C 1.821 177.769 176.094 -0.245 0.000 1.074 104 V CA 2.949 65.166 62.300 -0.138 0.000 1.069 104 V CB -0.694 31.094 31.823 -0.058 0.000 0.659 104 V HN 0.521 nan 8.190 nan 0.000 0.455 105 N N -0.670 117.907 118.700 -0.205 0.000 2.188 105 N HA -0.115 4.627 4.740 0.004 0.000 0.184 105 N C 1.687 177.041 175.510 -0.260 0.000 1.018 105 N CA 1.480 54.427 53.050 -0.171 0.000 0.858 105 N CB -0.229 38.217 38.487 -0.068 0.000 0.989 105 N HN 0.437 nan 8.380 nan 0.000 0.426 106 V N 1.428 121.073 119.914 -0.448 0.000 2.407 106 V HA -0.203 3.919 4.120 0.004 0.000 0.248 106 V C 1.986 177.767 176.094 -0.522 0.000 1.055 106 V CA 1.377 63.359 62.300 -0.531 0.000 1.049 106 V CB -0.472 30.814 31.823 -0.894 0.000 0.662 106 V HN 0.339 nan 8.190 nan 0.000 0.455 107 I N -0.674 119.511 120.570 -0.641 0.000 2.233 107 I HA -0.250 3.922 4.170 0.004 0.000 0.243 107 I C 2.656 178.545 176.117 -0.380 0.000 1.093 107 I CA 1.397 62.367 61.300 -0.550 0.000 1.380 107 I CB -0.554 37.157 38.000 -0.482 0.000 1.067 107 I HN 0.334 nan 8.210 nan 0.000 0.413 108 Q N 0.698 120.330 119.800 -0.279 0.000 2.152 108 Q HA -0.199 4.143 4.340 0.004 0.000 0.206 108 Q C 2.153 178.067 176.000 -0.143 0.000 0.985 108 Q CA 1.773 57.467 55.803 -0.182 0.000 0.863 108 Q CB -0.378 28.274 28.738 -0.142 0.000 0.904 108 Q HN 0.643 nan 8.270 nan 0.000 0.422 109 G N 0.462 109.172 108.800 -0.150 0.000 2.813 109 G HA2 -0.152 3.810 3.960 0.004 0.000 0.209 109 G HA3 -0.152 3.810 3.960 0.004 0.000 0.209 109 G C 0.769 175.627 174.900 -0.069 0.000 1.150 109 G CA 0.240 45.284 45.100 -0.094 0.000 0.785 109 G HN 0.440 nan 8.290 nan 0.000 0.535 110 Q N -0.456 119.289 119.800 -0.091 0.000 2.089 110 Q HA 0.407 4.749 4.340 0.004 0.000 0.248 110 Q C -0.455 175.534 176.000 -0.018 0.000 0.828 110 Q CA -0.281 55.504 55.803 -0.030 0.000 1.102 110 Q CB 0.117 28.861 28.738 0.010 0.000 1.221 110 Q HN 0.225 nan 8.270 nan 0.000 0.455 111 L N 2.086 123.277 121.223 -0.054 0.000 2.335 111 L HA 0.483 4.826 4.340 0.004 0.000 0.268 111 L C -0.907 175.965 176.870 0.003 0.000 1.037 111 L CA -0.763 54.063 54.840 -0.024 0.000 0.895 111 L CB 0.978 42.989 42.059 -0.079 0.000 1.266 111 L HN 0.234 nan 8.230 nan 0.000 0.439 112 M N 1.762 121.387 119.600 0.042 0.000 2.108 112 M HA 0.200 4.682 4.480 0.004 0.000 0.347 112 M C 0.538 176.879 176.300 0.068 0.000 1.326 112 M CA 0.169 55.502 55.300 0.054 0.000 1.126 112 M CB 1.055 33.705 32.600 0.082 0.000 1.606 112 M HN 0.290 nan 8.290 nan 0.000 0.462 113 S N 1.864 117.591 115.700 0.045 0.000 2.599 113 S HA 0.014 4.486 4.470 0.004 0.000 0.303 113 S C 1.542 176.187 174.600 0.075 0.000 1.267 113 S CA -0.471 57.758 58.200 0.048 0.000 1.055 113 S CB 0.415 63.631 63.200 0.026 0.000 0.790 113 S HN 0.584 nan 8.310 nan 0.000 0.500 114 V N 2.216 122.192 119.914 0.103 0.000 2.323 114 V HA 0.017 4.139 4.120 0.004 0.000 0.244 114 V C 1.182 177.297 176.094 0.034 0.000 1.041 114 V CA 1.553 63.918 62.300 0.109 0.000 1.025 114 V CB -0.006 31.961 31.823 0.240 0.000 0.656 114 V HN 0.820 nan 8.190 nan 0.000 0.451 115 S N -0.484 115.259 115.700 0.073 0.000 2.720 115 S HA 0.532 5.004 4.470 0.004 0.000 0.278 115 S C -1.213 173.398 174.600 0.019 0.000 1.172 115 S CA -0.507 57.692 58.200 -0.001 0.000 1.019 115 S CB 1.579 64.740 63.200 -0.065 0.000 1.049 115 S HN -0.003 nan 8.310 nan 0.000 0.483 116 V N 7.525 127.435 119.914 -0.007 0.000 2.357 116 V HA 0.580 4.702 4.120 0.004 0.000 0.284 116 V C -2.014 174.069 176.094 -0.018 0.000 1.018 116 V CA -1.792 60.503 62.300 -0.008 0.000 0.841 116 V CB 1.447 33.266 31.823 -0.008 0.000 0.991 116 V HN 0.746 nan 8.190 nan 0.000 0.437 117 P HA 0.190 nan 4.420 nan 0.000 0.276 117 P C -0.155 177.129 177.300 -0.026 0.000 1.244 117 P CA -0.176 62.912 63.100 -0.021 0.000 0.801 117 P CB 1.250 32.939 31.700 -0.019 0.000 1.006 118 V N 3.099 123.000 119.914 -0.021 0.000 2.539 118 V HA -0.093 4.029 4.120 0.004 0.000 0.300 118 V C 1.394 177.458 176.094 -0.051 0.000 1.019 118 V CA 0.334 62.619 62.300 -0.025 0.000 1.160 118 V CB -1.149 30.676 31.823 0.004 0.000 0.901 118 V HN 0.654 nan 8.190 nan 0.000 0.481 119 N N 4.518 123.188 118.700 -0.050 0.000 2.483 119 N HA 0.006 4.748 4.740 0.004 0.000 0.264 119 N C 0.695 176.139 175.510 -0.111 0.000 1.197 119 N CA 0.759 53.771 53.050 -0.063 0.000 0.927 119 N CB 1.275 39.744 38.487 -0.031 0.000 1.065 119 N HN 0.862 nan 8.380 nan 0.000 0.461 120 T N 1.053 115.446 114.554 -0.269 0.000 3.339 120 T HA 0.254 4.607 4.350 0.004 0.000 0.292 120 T C 0.654 175.059 174.700 -0.492 0.000 1.012 120 T CA -0.495 61.143 62.100 -0.769 0.000 0.937 120 T CB -0.667 67.687 68.868 -0.857 0.000 1.164 120 T HN 0.293 nan 8.240 nan 0.000 0.509 121 L N 2.092 123.241 121.223 -0.123 0.000 2.462 121 L HA 0.301 4.644 4.340 0.004 0.000 0.272 121 L C 0.159 177.122 176.870 0.155 0.000 1.166 121 L CA -0.600 54.237 54.840 -0.004 0.000 0.880 121 L CB 0.790 42.856 42.059 0.013 0.000 1.142 121 L HN 0.101 nan 8.230 nan 0.000 0.473 122 V N 5.347 125.345 119.914 0.141 0.000 2.372 122 V HA 0.060 4.182 4.120 0.004 0.000 0.261 122 V C 0.306 176.471 176.094 0.118 0.000 1.055 122 V CA -0.430 61.994 62.300 0.206 0.000 0.930 122 V CB 1.080 32.995 31.823 0.155 0.000 1.031 122 V HN 0.426 nan 8.190 nan 0.000 0.479 123 V N 5.335 125.314 119.914 0.109 0.000 2.322 123 V HA 0.214 4.337 4.120 0.004 0.000 0.258 123 V C 0.661 176.781 176.094 0.043 0.000 1.074 123 V CA -0.432 61.906 62.300 0.063 0.000 0.909 123 V CB 0.771 32.629 31.823 0.058 0.000 1.090 123 V HN 1.024 nan 8.190 nan 0.000 0.486 124 D N 2.234 122.655 120.400 0.035 0.000 2.525 124 D HA 0.008 4.650 4.640 0.004 0.000 0.229 124 D C 1.102 177.410 176.300 0.013 0.000 1.202 124 D CA 0.096 54.107 54.000 0.018 0.000 0.828 124 D CB 0.244 41.055 40.800 0.019 0.000 1.008 124 D HN 0.568 nan 8.370 nan 0.000 0.493 125 T N -2.170 112.394 114.554 0.017 0.000 3.296 125 T HA 0.354 4.706 4.350 0.004 0.000 0.285 125 T C 0.525 175.235 174.700 0.016 0.000 1.014 125 T CA -0.568 61.541 62.100 0.015 0.000 0.920 125 T CB -0.268 68.609 68.868 0.016 0.000 1.143 125 T HN -0.020 nan 8.240 nan 0.000 0.522 126 L N 1.660 122.893 121.223 0.017 0.000 2.476 126 L HA 0.457 4.799 4.340 0.004 0.000 0.255 126 L C 1.096 177.976 176.870 0.016 0.000 1.218 126 L CA -0.587 54.267 54.840 0.023 0.000 0.819 126 L CB 0.478 42.556 42.059 0.031 0.000 1.119 126 L HN 0.218 nan 8.230 nan 0.000 0.485 127 S N 0.405 116.118 115.700 0.021 0.000 2.572 127 S HA 0.169 4.642 4.470 0.004 0.000 0.279 127 S C -1.580 173.026 174.600 0.010 0.000 1.341 127 S CA -1.051 57.159 58.200 0.016 0.000 1.043 127 S CB 0.753 63.965 63.200 0.021 0.000 0.887 127 S HN 0.394 nan 8.310 nan 0.000 0.516 128 P HA -0.063 nan 4.420 nan 0.000 0.221 128 P C 1.265 178.564 177.300 -0.001 0.000 1.145 128 P CA 1.223 64.319 63.100 -0.008 0.000 0.795 128 P CB -0.217 31.478 31.700 -0.009 0.000 0.775 129 T N -5.708 108.854 114.554 0.013 0.000 3.067 129 T HA 0.108 4.461 4.350 0.004 0.000 0.261 129 T C 0.977 175.706 174.700 0.049 0.000 1.110 129 T CA 0.015 62.130 62.100 0.025 0.000 1.113 129 T CB -0.551 68.333 68.868 0.026 0.000 0.917 129 T HN -0.103 nan 8.240 nan 0.000 0.499 130 S N 1.304 117.036 115.700 0.054 0.000 2.565 130 S HA 0.309 4.781 4.470 0.004 0.000 0.276 130 S C -0.595 174.080 174.600 0.126 0.000 1.326 130 S CA -1.001 57.258 58.200 0.099 0.000 1.045 130 S CB 0.226 63.480 63.200 0.091 0.000 0.918 130 S HN 0.601 nan 8.310 nan 0.000 0.505 131 W N 2.947 124.251 121.300 0.007 0.000 2.251 131 W HA 0.181 4.841 4.660 0.002 0.000 0.327 131 W C 0.133 176.660 176.519 0.015 0.000 1.361 131 W CA 0.399 57.747 57.345 0.006 0.000 1.234 131 W CB 0.356 29.819 29.460 0.006 0.000 1.212 131 W HN 0.383 nan 8.180 nan 0.000 0.557 132 Q N 4.234 123.745 119.800 -0.482 0.000 2.315 132 Q HA 0.474 4.816 4.340 0.004 0.000 0.273 132 Q C -0.484 174.905 176.000 -1.018 0.000 1.053 132 Q CA -0.650 54.878 55.803 -0.459 0.000 0.817 132 Q CB 2.088 30.714 28.738 -0.187 0.000 1.326 132 Q HN 0.625 nan 8.270 nan 0.000 0.423 133 A N 1.157 123.554 122.820 -0.705 0.000 2.296 133 A HA 0.435 4.757 4.320 0.004 0.000 0.264 133 A C 0.606 178.013 177.584 -0.295 0.000 1.097 133 A CA -0.022 51.722 52.037 -0.488 0.000 0.811 133 A CB 0.387 19.509 19.000 0.204 0.000 1.072 133 A HN 0.720 nan 8.150 nan 0.000 0.495 134 S N -0.669 114.904 115.700 -0.212 0.000 2.540 134 S HA 0.213 4.685 4.470 0.004 0.000 0.218 134 S C 0.377 174.884 174.600 -0.154 0.000 0.977 134 S CA 0.480 58.572 58.200 -0.180 0.000 0.918 134 S CB -0.282 62.834 63.200 -0.140 0.000 0.806 134 S HN 1.136 nan 8.310 nan 0.000 0.496 135 T N -1.124 113.360 114.554 -0.117 0.000 2.883 135 T HA 0.646 4.998 4.350 0.004 0.000 0.301 135 T C -0.925 173.720 174.700 -0.092 0.000 1.158 135 T CA -0.774 61.289 62.100 -0.062 0.000 1.007 135 T CB 0.706 69.631 68.868 0.094 0.000 1.186 135 T HN -0.038 nan 8.240 nan 0.000 0.499 136 F N 3.401 123.423 119.950 0.120 0.000 2.567 136 F HA 0.390 4.918 4.527 0.002 0.000 0.352 136 F C 0.501 176.329 175.800 0.048 0.000 1.229 136 F CA -1.385 56.638 58.000 0.038 0.000 1.228 136 F CB -0.690 38.306 39.000 -0.006 0.000 1.568 136 F HN 0.579 nan 8.300 nan 0.000 0.634 137 F N -0.384 119.653 119.950 0.145 0.000 2.368 137 F HA 0.620 5.151 4.527 0.006 0.000 0.308 137 F C -0.100 175.766 175.800 0.110 0.000 1.198 137 F CA -1.673 56.397 58.000 0.117 0.000 1.130 137 F CB -0.242 38.817 39.000 0.097 0.000 1.300 137 F HN -0.154 nan 8.300 nan 0.000 0.537 138 V N 3.005 123.068 119.914 0.248 0.000 2.521 138 V HA 0.350 4.472 4.120 0.004 0.000 0.286 138 V C 0.238 176.373 176.094 0.069 0.000 1.034 138 V CA -0.367 61.993 62.300 0.100 0.000 1.045 138 V CB -0.164 31.738 31.823 0.131 0.000 0.974 138 V HN 0.946 nan 8.190 nan 0.000 0.480 139 R N 3.116 123.573 120.500 -0.071 0.000 2.733 139 R HA 0.400 4.743 4.340 0.004 0.000 0.272 139 R C -0.494 175.783 176.300 -0.038 0.000 1.029 139 R CA -0.930 55.137 56.100 -0.055 0.000 0.888 139 R CB 0.732 30.888 30.300 -0.241 0.000 1.251 139 R HN 0.474 nan 8.270 nan 0.000 0.464 140 N N -0.264 118.430 118.700 -0.010 0.000 2.710 140 N HA -0.211 4.532 4.740 0.004 0.000 0.249 140 N C 0.822 176.328 175.510 -0.008 0.000 1.059 140 N CA 1.908 54.952 53.050 -0.009 0.000 0.720 140 N CB -1.388 37.087 38.487 -0.019 0.000 0.983 140 N HN 1.133 nan 8.380 nan 0.000 0.544 141 G N -1.642 107.159 108.800 0.001 0.000 2.155 141 G HA2 -0.340 3.622 3.960 0.004 0.000 0.257 141 G HA3 -0.340 3.622 3.960 0.004 0.000 0.257 141 G C 0.341 175.241 174.900 -0.001 0.000 0.983 141 G CA 1.112 46.214 45.100 0.003 0.000 0.676 141 G HN 1.389 nan 8.290 nan 0.000 0.528 142 S N -0.713 114.982 115.700 -0.008 0.000 2.576 142 S HA 0.391 4.863 4.470 0.004 0.000 0.272 142 S C 0.214 174.809 174.600 -0.009 0.000 1.352 142 S CA 0.354 58.547 58.200 -0.013 0.000 1.021 142 S CB 1.470 64.656 63.200 -0.023 0.000 0.887 142 S HN 0.968 nan 8.310 nan 0.000 0.542 143 N N 1.803 120.491 118.700 -0.020 0.000 2.469 143 N HA 0.419 5.161 4.740 0.004 0.000 0.253 143 N C -1.707 173.791 175.510 -0.020 0.000 0.970 143 N CA -2.518 50.512 53.050 -0.033 0.000 0.940 143 N CB 1.540 39.979 38.487 -0.080 0.000 1.128 143 N HN 0.335 nan 8.380 nan 0.000 0.503 144 P HA -0.072 nan 4.420 nan 0.000 0.223 144 P C 0.348 177.674 177.300 0.042 0.000 1.151 144 P CA 0.990 64.110 63.100 0.033 0.000 0.787 144 P CB 0.471 32.204 31.700 0.056 0.000 0.788 145 E N -0.101 120.116 120.200 0.030 0.000 2.268 145 E HA -0.127 4.225 4.350 0.004 0.000 0.195 145 E C 0.963 177.592 176.600 0.048 0.000 0.995 145 E CA 0.645 57.094 56.400 0.080 0.000 0.836 145 E CB -0.227 29.479 29.700 0.010 0.000 0.763 145 E HN 0.321 nan 8.360 nan 0.000 0.491 146 Q N 2.289 122.076 119.800 -0.022 0.000 2.314 146 Q HA 0.031 4.373 4.340 0.004 0.000 0.257 146 Q C -0.802 175.211 176.000 0.022 0.000 0.975 146 Q CA -0.254 55.534 55.803 -0.026 0.000 0.933 146 Q CB 0.787 29.492 28.738 -0.055 0.000 1.195 146 Q HN -0.190 nan 8.270 nan 0.000 0.426 147 D N 5.597 126.029 120.400 0.053 0.000 2.434 147 D HA 0.027 4.670 4.640 0.004 0.000 0.252 147 D C -1.776 174.539 176.300 0.025 0.000 1.185 147 D CA -1.772 52.255 54.000 0.045 0.000 0.886 147 D CB 1.348 42.187 40.800 0.064 0.000 1.148 147 D HN 0.423 nan 8.370 nan 0.000 0.483 148 P HA -0.027 nan 4.420 nan 0.000 0.223 148 P C 1.202 178.502 177.300 -0.001 0.000 1.151 148 P CA 0.713 63.810 63.100 -0.004 0.000 0.787 148 P CB 0.230 31.916 31.700 -0.023 0.000 0.788 149 L N -1.348 119.876 121.223 0.003 0.000 2.592 149 L HA 0.168 4.511 4.340 0.004 0.000 0.227 149 L C 1.523 178.396 176.870 0.006 0.000 1.127 149 L CA 0.325 55.165 54.840 -0.001 0.000 0.884 149 L CB -0.103 41.952 42.059 -0.006 0.000 1.065 149 L HN -0.193 nan 8.230 nan 0.000 0.457 150 R N -0.390 120.125 120.500 0.024 0.000 2.748 150 R HA 0.202 4.544 4.340 0.004 0.000 0.395 150 R C -0.284 176.063 176.300 0.078 0.000 1.128 150 R CA -0.238 55.885 56.100 0.039 0.000 1.042 150 R CB 0.187 30.519 30.300 0.053 0.000 1.392 150 R HN 0.097 nan 8.270 nan 0.000 0.582 151 N N 0.445 119.171 118.700 0.043 0.000 2.502 151 N HA 0.349 5.092 4.740 0.004 0.000 0.280 151 N C -0.679 174.763 175.510 -0.114 0.000 1.223 151 N CA -0.571 52.493 53.050 0.024 0.000 0.966 151 N CB 1.079 39.577 38.487 0.018 0.000 1.203 151 N HN 0.040 nan 8.380 nan 0.000 0.565 152 L N 1.913 122.921 121.223 -0.359 0.000 2.581 152 L HA 0.199 4.542 4.340 0.004 0.000 0.241 152 L C 1.317 177.989 176.870 -0.330 0.000 1.265 152 L CA -0.225 54.295 54.840 -0.534 0.000 0.954 152 L CB 0.483 41.841 42.059 -1.169 0.000 1.269 152 L HN 0.706 nan 8.230 nan 0.000 0.475 153 S N -0.320 115.294 115.700 -0.143 0.000 2.383 153 S HA -0.164 4.308 4.470 0.004 0.000 0.229 153 S C 1.925 176.485 174.600 -0.067 0.000 1.030 153 S CA 1.381 59.541 58.200 -0.067 0.000 1.002 153 S CB -0.325 62.853 63.200 -0.037 0.000 0.829 153 S HN 0.625 nan 8.310 nan 0.000 0.467 154 G N 1.315 110.064 108.800 -0.085 0.000 2.448 154 G HA2 -0.072 3.890 3.960 0.004 0.000 0.219 154 G HA3 -0.072 3.890 3.960 0.004 0.000 0.219 154 G C 0.731 175.589 174.900 -0.070 0.000 1.127 154 G CA 0.204 45.261 45.100 -0.071 0.000 0.766 154 G HN 0.462 nan 8.290 nan 0.000 0.552 155 Q N 0.529 120.258 119.800 -0.117 0.000 2.304 155 Q HA 0.412 4.755 4.340 0.004 0.000 0.301 155 Q C 0.075 176.093 176.000 0.029 0.000 1.063 155 Q CA 0.627 56.390 55.803 -0.067 0.000 0.947 155 Q CB 1.045 29.703 28.738 -0.133 0.000 1.201 155 Q HN 0.354 nan 8.270 nan 0.000 0.389 156 A N 1.871 124.725 122.820 0.057 0.000 2.609 156 A HA 0.760 5.083 4.320 0.004 0.000 0.291 156 A C -1.000 176.654 177.584 0.117 0.000 1.096 156 A CA -0.369 51.714 52.037 0.078 0.000 0.684 156 A CB 1.369 20.392 19.000 0.038 0.000 1.282 156 A HN 0.521 nan 8.150 nan 0.000 0.412 157 V N -2.557 117.440 119.914 0.138 0.000 3.160 157 V HA 0.976 5.098 4.120 0.004 0.000 0.310 157 V C -0.610 175.562 176.094 0.129 0.000 1.181 157 V CA -0.567 61.834 62.300 0.169 0.000 1.047 157 V CB 1.678 33.669 31.823 0.280 0.000 1.068 157 V HN 0.984 nan 8.190 nan 0.000 0.441 158 T N 2.172 116.790 114.554 0.106 0.000 2.965 158 T HA 0.518 4.871 4.350 0.004 0.000 0.306 158 T C -0.491 174.223 174.700 0.023 0.000 0.991 158 T CA -0.502 61.649 62.100 0.085 0.000 1.001 158 T CB 0.906 69.862 68.868 0.147 0.000 0.984 158 T HN 0.813 nan 8.240 nan 0.000 0.446 159 R N 2.383 122.886 120.500 0.006 0.000 2.666 159 R HA 0.584 4.927 4.340 0.004 0.000 0.275 159 R C -0.480 175.818 176.300 -0.004 0.000 1.266 159 R CA -0.724 55.353 56.100 -0.039 0.000 1.401 159 R CB 0.566 30.815 30.300 -0.086 0.000 1.145 159 R HN 0.427 nan 8.270 nan 0.000 0.581 160 V N -1.481 118.433 119.914 0.001 0.000 2.851 160 V HA 0.357 4.479 4.120 0.004 0.000 0.307 160 V C 0.090 176.189 176.094 0.008 0.000 1.129 160 V CA -1.070 61.240 62.300 0.016 0.000 0.932 160 V CB 1.981 33.824 31.823 0.033 0.000 1.024 160 V HN 0.199 nan 8.190 nan 0.000 0.426 161 V N 5.390 125.315 119.914 0.017 0.000 2.790 161 V HA 0.380 4.502 4.120 0.004 0.000 0.304 161 V C 1.902 178.004 176.094 0.012 0.000 1.142 161 V CA 2.289 64.601 62.300 0.020 0.000 1.282 161 V CB 0.256 32.098 31.823 0.033 0.000 0.877 161 V HN 2.199 nan 8.190 nan 0.000 0.504 162 G N 2.779 111.580 108.800 0.002 0.000 2.213 162 G HA2 0.024 3.986 3.960 0.004 0.000 0.236 162 G HA3 0.024 3.986 3.960 0.004 0.000 0.236 162 G C 1.107 175.962 174.900 -0.074 0.000 0.991 162 G CA 0.387 45.474 45.100 -0.021 0.000 0.629 162 G HN 2.350 nan 8.290 nan 0.000 0.517 163 G N 0.001 108.764 108.800 -0.061 0.000 2.578 163 G HA2 -0.223 3.739 3.960 0.004 0.000 0.275 163 G HA3 -0.223 3.739 3.960 0.004 0.000 0.275 163 G C 1.097 175.900 174.900 -0.162 0.000 1.271 163 G CA 0.973 46.019 45.100 -0.090 0.000 0.941 163 G HN 1.059 nan 8.290 nan 0.000 0.564 164 M N 1.387 120.847 119.600 -0.234 0.000 2.557 164 M HA -0.001 4.481 4.480 0.004 0.000 0.259 164 M C 2.555 178.433 176.300 -0.704 0.000 1.086 164 M CA 1.655 56.651 55.300 -0.508 0.000 1.096 164 M CB -0.252 32.177 32.600 -0.284 0.000 1.424 164 M HN 0.706 nan 8.290 nan 0.000 0.488 165 S N -0.805 114.561 115.700 -0.556 0.000 2.607 165 S HA -0.019 4.453 4.470 0.004 0.000 0.224 165 S C 1.436 175.844 174.600 -0.321 0.000 0.969 165 S CA 0.847 58.591 58.200 -0.761 0.000 0.927 165 S CB -0.926 61.819 63.200 -0.758 0.000 0.772 165 S HN 0.528 nan 8.310 nan 0.000 0.533 166 T N -0.748 113.630 114.554 -0.293 0.000 3.086 166 T HA 0.162 4.515 4.350 0.004 0.000 0.250 166 T C 1.158 175.683 174.700 -0.291 0.000 1.074 166 T CA 0.475 62.449 62.100 -0.211 0.000 0.988 166 T CB -0.588 68.251 68.868 -0.049 0.000 0.988 166 T HN 0.897 nan 8.240 nan 0.000 0.530 167 H N -1.766 117.189 119.070 -0.191 0.000 3.787 167 H HA 0.186 4.746 4.556 0.006 0.000 0.262 167 H C 0.363 175.849 175.328 0.262 0.000 1.181 167 H CA -1.019 55.054 56.048 0.042 0.000 1.159 167 H CB -0.374 29.431 29.762 0.071 0.000 1.563 167 H HN 0.423 nan 8.280 nan 0.000 0.699 168 W N 2.806 124.057 121.300 -0.081 0.000 2.123 168 W HA 0.273 4.934 4.660 0.003 0.000 0.351 168 W C 0.168 176.760 176.519 0.121 0.000 1.292 168 W CA -0.144 57.261 57.345 0.100 0.000 1.263 168 W CB -0.010 29.432 29.460 -0.031 0.000 1.165 168 W HN -0.174 nan 8.180 nan 0.000 0.590 169 T N 1.816 116.320 114.554 -0.083 0.000 3.035 169 T HA -0.062 4.291 4.350 0.004 0.000 0.268 169 T C 1.095 175.343 174.700 -0.754 0.000 1.109 169 T CA 1.694 63.554 62.100 -0.401 0.000 1.119 169 T CB -0.444 68.353 68.868 -0.117 0.000 0.900 169 T HN 0.697 nan 8.240 nan 0.000 0.503 170 C N 0.467 119.074 119.300 -1.155 0.000 4.761 170 C HA -0.095 4.367 4.460 0.004 0.000 0.250 170 C C 1.017 175.518 174.990 -0.814 0.000 1.232 170 C CA -0.982 57.059 59.018 -1.628 0.000 1.596 170 C CB -2.692 24.443 27.740 -1.008 0.000 1.604 170 C HN 0.754 nan 8.230 nan 0.000 0.685 171 A N 1.263 123.798 122.820 -0.474 0.000 2.491 171 A HA 0.514 4.837 4.320 0.004 0.000 0.261 171 A C 0.824 178.283 177.584 -0.207 0.000 1.101 171 A CA 1.349 53.240 52.037 -0.243 0.000 0.772 171 A CB 0.109 19.019 19.000 -0.151 0.000 1.043 171 A HN 1.475 nan 8.150 nan 0.000 0.501 172 T N 1.788 116.248 114.554 -0.157 0.000 3.504 172 T HA 0.521 4.873 4.350 0.004 0.000 0.286 172 T C -2.600 172.053 174.700 -0.077 0.000 1.530 172 T CA -1.320 60.731 62.100 -0.082 0.000 1.652 172 T CB 0.747 69.585 68.868 -0.050 0.000 0.895 172 T HN 0.484 nan 8.240 nan 0.000 0.674 173 P HA 0.470 nan 4.420 nan 0.000 0.278 173 P C -0.374 176.786 177.300 -0.232 0.000 1.266 173 P CA -0.741 62.272 63.100 -0.146 0.000 0.807 173 P CB 1.402 33.014 31.700 -0.146 0.000 1.094 174 R N 0.068 120.362 120.500 -0.344 0.000 2.528 174 R HA 0.494 4.836 4.340 0.004 0.000 0.271 174 R C -0.137 176.062 176.300 -0.168 0.000 1.056 174 R CA -0.560 55.150 56.100 -0.649 0.000 1.117 174 R CB 0.328 30.086 30.300 -0.904 0.000 1.085 174 R HN 0.375 nan 8.270 nan 0.000 0.530 175 F N 1.886 121.604 119.950 -0.387 0.000 2.404 175 F HA 0.092 4.621 4.527 0.003 0.000 0.345 175 F C 0.853 176.463 175.800 -0.317 0.000 1.110 175 F CA -1.662 56.144 58.000 -0.325 0.000 1.130 175 F CB 0.543 39.345 39.000 -0.330 0.000 1.129 175 F HN 0.542 nan 8.300 nan 0.000 0.500 176 D N 2.834 123.164 120.400 -0.117 0.000 2.414 176 D HA 0.114 4.757 4.640 0.004 0.000 0.251 176 D C 1.045 177.267 176.300 -0.130 0.000 1.252 176 D CA -0.418 53.514 54.000 -0.114 0.000 0.999 176 D CB 0.636 41.389 40.800 -0.077 0.000 1.093 176 D HN 0.449 nan 8.370 nan 0.000 0.515 177 R N -0.393 120.058 120.500 -0.082 0.000 2.127 177 R HA -0.151 4.191 4.340 0.004 0.000 0.238 177 R C 1.885 178.142 176.300 -0.073 0.000 1.134 177 R CA 1.214 57.276 56.100 -0.064 0.000 0.975 177 R CB -0.209 30.084 30.300 -0.012 0.000 0.865 177 R HN 0.640 nan 8.270 nan 0.000 0.447 178 E N 0.552 120.698 120.200 -0.090 0.000 2.347 178 E HA -0.145 4.208 4.350 0.004 0.000 0.196 178 E C 1.201 177.690 176.600 -0.184 0.000 1.008 178 E CA 0.692 57.042 56.400 -0.083 0.000 0.852 178 E CB 0.303 30.006 29.700 0.005 0.000 0.783 178 E HN 0.449 nan 8.360 nan 0.000 0.505 179 Q N -0.631 118.974 119.800 -0.325 0.000 2.281 179 Q HA 0.155 4.497 4.340 0.004 0.000 0.215 179 Q C 0.427 176.324 176.000 -0.171 0.000 0.867 179 Q CA -0.202 55.360 55.803 -0.402 0.000 0.940 179 Q CB 0.729 28.931 28.738 -0.894 0.000 1.111 179 Q HN -0.102 nan 8.270 nan 0.000 0.513 180 R N 2.212 122.654 120.500 -0.098 0.000 2.490 180 R HA 0.234 4.576 4.340 0.004 0.000 0.278 180 R C -2.462 173.861 176.300 0.038 0.000 1.069 180 R CA -1.755 54.302 56.100 -0.070 0.000 1.080 180 R CB 0.583 30.706 30.300 -0.296 0.000 1.030 180 R HN -0.107 nan 8.270 nan 0.000 0.491 181 P HA 0.098 nan 4.420 nan 0.000 0.278 181 P C -0.726 176.748 177.300 0.290 0.000 1.238 181 P CA -0.343 62.866 63.100 0.181 0.000 0.794 181 P CB 0.597 32.391 31.700 0.157 0.000 0.955 182 L N 2.908 124.275 121.223 0.240 0.000 2.513 182 L HA 0.041 4.383 4.340 0.004 0.000 0.272 182 L C 1.443 178.472 176.870 0.264 0.000 1.187 182 L CA 0.208 55.250 54.840 0.337 0.000 0.895 182 L CB -0.043 42.282 42.059 0.444 0.000 1.147 182 L HN 0.401 nan 8.230 nan 0.000 0.483 183 L N 4.336 125.735 121.223 0.295 0.000 2.470 183 L HA 0.161 4.503 4.340 0.004 0.000 0.219 183 L C -0.083 176.977 176.870 0.317 0.000 1.071 183 L CA 0.113 55.017 54.840 0.107 0.000 0.850 183 L CB 0.502 42.393 42.059 -0.280 0.000 1.040 183 L HN 0.373 nan 8.230 nan 0.000 0.475 184 V N -0.957 119.135 119.914 0.296 0.000 2.604 184 V HA 0.362 4.484 4.120 0.004 0.000 0.305 184 V C -0.274 175.910 176.094 0.149 0.000 1.043 184 V CA -1.219 61.201 62.300 0.201 0.000 0.888 184 V CB 1.744 33.626 31.823 0.097 0.000 0.995 184 V HN 0.023 nan 8.190 nan 0.000 0.429 185 K N 1.434 121.802 120.400 -0.054 0.000 2.154 185 K HA 0.265 4.588 4.320 0.004 0.000 0.264 185 K C -0.108 176.468 176.600 -0.039 0.000 1.008 185 K CA -0.361 55.859 56.287 -0.111 0.000 0.937 185 K CB 0.374 32.680 32.500 -0.324 0.000 1.002 185 K HN 0.868 nan 8.250 nan 0.000 0.469 186 D N 1.886 122.278 120.400 -0.013 0.000 2.701 186 D HA -0.195 4.447 4.640 0.004 0.000 0.235 186 D C -0.593 175.711 176.300 0.008 0.000 1.155 186 D CA 1.169 55.166 54.000 -0.006 0.000 0.649 186 D CB -0.576 40.208 40.800 -0.027 0.000 1.050 186 D HN 0.575 nan 8.370 nan 0.000 0.425 187 D N -1.422 118.995 120.400 0.029 0.000 3.491 187 D HA 0.201 4.843 4.640 0.004 0.000 0.240 187 D C 0.803 177.139 176.300 0.061 0.000 1.487 187 D CA 0.233 54.255 54.000 0.036 0.000 0.936 187 D CB -0.165 40.651 40.800 0.027 0.000 1.451 187 D HN 0.071 nan 8.370 nan 0.000 0.678 188 A N 0.634 123.491 122.820 0.063 0.000 2.172 188 A HA -0.084 4.238 4.320 0.004 0.000 0.216 188 A C 1.607 179.241 177.584 0.083 0.000 1.154 188 A CA 1.081 53.166 52.037 0.080 0.000 0.701 188 A CB 0.186 19.226 19.000 0.067 0.000 0.789 188 A HN 0.326 nan 8.150 nan 0.000 0.465 189 D N -0.182 120.258 120.400 0.067 0.000 2.269 189 D HA 0.101 4.743 4.640 0.004 0.000 0.220 189 D C 2.339 178.680 176.300 0.068 0.000 0.962 189 D CA 1.106 55.144 54.000 0.064 0.000 0.884 189 D CB -0.351 40.477 40.800 0.046 0.000 1.023 189 D HN 0.356 nan 8.370 nan 0.000 0.484 190 A N 1.499 124.354 122.820 0.059 0.000 1.903 190 A HA -0.273 4.049 4.320 0.004 0.000 0.219 190 A C 1.943 179.576 177.584 0.082 0.000 1.191 190 A CA 2.425 54.495 52.037 0.056 0.000 0.638 190 A CB -0.806 18.220 19.000 0.044 0.000 0.823 190 A HN 0.244 nan 8.150 nan 0.000 0.451 191 D N -1.074 119.395 120.400 0.115 0.000 2.178 191 D HA -0.115 4.527 4.640 0.004 0.000 0.202 191 D C 1.191 177.649 176.300 0.263 0.000 0.974 191 D CA 1.295 55.405 54.000 0.184 0.000 0.841 191 D CB -0.106 40.824 40.800 0.217 0.000 0.953 191 D HN 0.394 nan 8.370 nan 0.000 0.478 192 D N -0.222 120.294 120.400 0.194 0.000 2.117 192 D HA -0.045 4.597 4.640 0.004 0.000 0.198 192 D C 2.009 178.420 176.300 0.185 0.000 0.982 192 D CA 1.306 55.423 54.000 0.196 0.000 0.828 192 D CB -0.434 40.441 40.800 0.124 0.000 0.967 192 D HN 0.310 nan 8.370 nan 0.000 0.464 193 A N 0.786 123.679 122.820 0.122 0.000 1.855 193 A HA -0.193 4.129 4.320 0.004 0.000 0.215 193 A C 2.126 179.751 177.584 0.068 0.000 1.191 193 A CA 1.802 53.889 52.037 0.085 0.000 0.613 193 A CB -0.653 18.379 19.000 0.052 0.000 0.829 193 A HN 0.124 nan 8.150 nan 0.000 0.442 194 E N -0.592 119.627 120.200 0.032 0.000 2.086 194 E HA -0.241 4.112 4.350 0.004 0.000 0.200 194 E C 1.697 178.230 176.600 -0.111 0.000 1.012 194 E CA 1.928 58.286 56.400 -0.071 0.000 0.812 194 E CB -0.542 29.084 29.700 -0.123 0.000 0.743 194 E HN 0.744 nan 8.360 nan 0.000 0.453 195 W N 0.405 121.685 121.300 -0.034 0.000 2.409 195 W HA -0.069 4.594 4.660 0.004 0.000 0.299 195 W C 2.241 178.786 176.519 0.043 0.000 1.203 195 W CA 0.956 58.258 57.345 -0.073 0.000 1.298 195 W CB -0.365 29.097 29.460 0.003 0.000 1.127 195 W HN 0.191 nan 8.180 nan 0.000 0.528 196 D N 0.170 120.774 120.400 0.340 0.000 2.182 196 D HA -0.217 4.426 4.640 0.004 0.000 0.201 196 D C 2.089 178.485 176.300 0.161 0.000 0.986 196 D CA 1.385 55.537 54.000 0.254 0.000 0.847 196 D CB -0.167 40.729 40.800 0.159 0.000 0.942 196 D HN 0.023 nan 8.370 nan 0.000 0.467 197 R N -0.465 120.085 120.500 0.084 0.000 2.062 197 R HA 0.011 4.353 4.340 0.004 0.000 0.226 197 R C 2.548 178.822 176.300 -0.044 0.000 1.125 197 R CA 0.676 56.781 56.100 0.008 0.000 0.966 197 R CB -0.268 30.019 30.300 -0.022 0.000 0.861 197 R HN 0.218 nan 8.270 nan 0.000 0.433 198 L N -0.192 120.969 121.223 -0.104 0.000 1.989 198 L HA -0.216 4.126 4.340 0.004 0.000 0.211 198 L C 2.369 179.173 176.870 -0.109 0.000 1.071 198 L CA 1.429 56.147 54.840 -0.203 0.000 0.749 198 L CB -0.633 41.192 42.059 -0.390 0.000 0.890 198 L HN 0.220 nan 8.230 nan 0.000 0.431 199 Y N 0.178 120.493 120.300 0.025 0.000 2.224 199 Y HA -0.218 4.334 4.550 0.004 0.000 0.289 199 Y C 2.845 178.728 175.900 -0.028 0.000 1.146 199 Y CA 1.537 59.650 58.100 0.022 0.000 1.182 199 Y CB -1.037 37.462 38.460 0.065 0.000 0.983 199 Y HN 0.163 nan 8.280 nan 0.000 0.524 200 T N -0.585 114.054 114.554 0.140 0.000 2.821 200 T HA -0.190 4.162 4.350 0.004 0.000 0.267 200 T C 1.924 176.600 174.700 -0.041 0.000 1.046 200 T CA 1.604 63.733 62.100 0.050 0.000 1.139 200 T CB -0.128 68.764 68.868 0.040 0.000 0.871 200 T HN 0.191 nan 8.240 nan 0.000 0.454 201 K N 0.991 121.312 120.400 -0.132 0.000 2.103 201 K HA 0.114 4.436 4.320 0.004 0.000 0.204 201 K C 2.399 178.667 176.600 -0.553 0.000 1.052 201 K CA 0.969 57.058 56.287 -0.330 0.000 0.945 201 K CB -0.250 32.024 32.500 -0.377 0.000 0.722 201 K HN 0.260 nan 8.250 nan 0.000 0.443 202 A N 0.978 123.588 122.820 -0.349 0.000 1.929 202 A HA -0.142 4.180 4.320 0.004 0.000 0.216 202 A C 1.807 179.373 177.584 -0.031 0.000 1.176 202 A CA 1.481 53.346 52.037 -0.286 0.000 0.628 202 A CB -0.427 18.521 19.000 -0.087 0.000 0.816 202 A HN 0.417 nan 8.150 nan 0.000 0.444 203 E N -0.454 119.792 120.200 0.076 0.000 2.085 203 E HA -0.175 4.178 4.350 0.004 0.000 0.194 203 E C 2.263 178.957 176.600 0.156 0.000 0.994 203 E CA 1.296 57.792 56.400 0.161 0.000 0.801 203 E CB -0.196 29.570 29.700 0.110 0.000 0.743 203 E HN 0.566 nan 8.360 nan 0.000 0.453 204 S N -0.404 115.342 115.700 0.076 0.000 2.359 204 S HA -0.186 4.286 4.470 0.004 0.000 0.224 204 S C 1.813 176.577 174.600 0.273 0.000 1.035 204 S CA 1.116 59.401 58.200 0.141 0.000 1.018 204 S CB -0.274 62.995 63.200 0.115 0.000 0.876 204 S HN 0.284 nan 8.310 nan 0.000 0.448 205 Y N 0.020 120.317 120.300 -0.004 0.000 2.207 205 Y HA -0.043 4.509 4.550 0.004 0.000 0.287 205 Y C 2.019 177.916 175.900 -0.006 0.000 1.156 205 Y CA 0.443 58.499 58.100 -0.073 0.000 1.182 205 Y CB -0.940 37.385 38.460 -0.225 0.000 0.979 205 Y HN 0.337 nan 8.280 nan 0.000 0.521 206 F N -0.229 119.876 119.950 0.258 0.000 2.754 206 F HA 0.089 4.618 4.527 0.005 0.000 0.297 206 F C 0.613 176.526 175.800 0.188 0.000 1.122 206 F CA 0.028 58.172 58.000 0.240 0.000 1.400 206 F CB -0.187 38.974 39.000 0.267 0.000 1.117 206 F HN -0.052 nan 8.300 nan 0.000 0.587 207 Q N 0.945 120.943 119.800 0.329 0.000 2.457 207 Q HA -0.174 4.168 4.340 0.004 0.000 0.333 207 Q C -0.165 175.940 176.000 0.175 0.000 1.448 207 Q CA 0.639 56.563 55.803 0.201 0.000 0.891 207 Q CB -2.519 26.310 28.738 0.150 0.000 1.142 207 Q HN 0.182 nan 8.270 nan 0.000 0.375 208 T N 0.190 114.852 114.554 0.181 0.000 2.856 208 T HA 0.630 4.982 4.350 0.004 0.000 0.292 208 T C 0.683 175.428 174.700 0.075 0.000 0.980 208 T CA 0.342 62.517 62.100 0.124 0.000 1.091 208 T CB 1.613 70.563 68.868 0.138 0.000 0.936 208 T HN 0.518 nan 8.240 nan 0.000 0.503 209 G N 0.544 109.375 108.800 0.051 0.000 2.704 209 G HA2 0.524 4.487 3.960 0.004 0.000 0.293 209 G HA3 0.524 4.487 3.960 0.004 0.000 0.293 209 G C 0.112 175.040 174.900 0.047 0.000 1.421 209 G CA -0.728 44.395 45.100 0.039 0.000 0.870 209 G HN 0.618 nan 8.290 nan 0.000 0.492 210 T N -2.269 112.315 114.554 0.051 0.000 3.200 210 T HA 0.274 4.627 4.350 0.004 0.000 0.284 210 T C 0.191 174.950 174.700 0.098 0.000 1.009 210 T CA 0.494 62.639 62.100 0.074 0.000 0.907 210 T CB 0.339 69.247 68.868 0.066 0.000 1.120 210 T HN 0.550 nan 8.240 nan 0.000 0.534 211 D N 0.152 120.595 120.400 0.073 0.000 2.602 211 D HA 0.071 4.713 4.640 0.004 0.000 0.265 211 D C 1.060 177.360 176.300 0.001 0.000 1.454 211 D CA -0.204 53.837 54.000 0.069 0.000 0.795 211 D CB -0.235 40.590 40.800 0.041 0.000 1.140 211 D HN 0.164 nan 8.370 nan 0.000 0.486 212 Q N -0.453 119.327 119.800 -0.032 0.000 2.439 212 Q HA 0.134 4.476 4.340 0.004 0.000 0.211 212 Q C 0.146 175.800 176.000 -0.577 0.000 0.978 212 Q CA 1.039 56.668 55.803 -0.289 0.000 0.897 212 Q CB -0.277 28.232 28.738 -0.381 0.000 0.956 212 Q HN 0.331 nan 8.270 nan 0.000 0.483 213 F N -0.794 119.054 119.950 -0.171 0.000 2.775 213 F HA 0.224 4.754 4.527 0.004 0.000 0.313 213 F C 0.986 176.751 175.800 -0.059 0.000 1.121 213 F CA -0.567 57.304 58.000 -0.214 0.000 1.206 213 F CB 0.461 39.191 39.000 -0.450 0.000 1.052 213 F HN -0.014 nan 8.300 nan 0.000 0.524 214 K N -0.202 120.269 120.400 0.119 0.000 2.439 214 K HA 0.002 4.324 4.320 0.004 0.000 0.197 214 K C 0.578 177.293 176.600 0.192 0.000 1.041 214 K CA 1.270 57.698 56.287 0.236 0.000 0.970 214 K CB -0.043 32.536 32.500 0.132 0.000 0.773 214 K HN 0.176 nan 8.250 nan 0.000 0.479 215 E N 1.444 121.633 120.200 -0.017 0.000 2.499 215 E HA 0.025 4.377 4.350 0.004 0.000 0.199 215 E C -0.436 176.208 176.600 0.074 0.000 1.016 215 E CA -0.074 56.176 56.400 -0.250 0.000 0.933 215 E CB 0.876 30.188 29.700 -0.648 0.000 1.050 215 E HN 0.226 nan 8.360 nan 0.000 0.462 216 S N 1.043 116.868 115.700 0.209 0.000 2.505 216 S HA 0.173 4.646 4.470 0.004 0.000 0.276 216 S C 1.314 176.043 174.600 0.214 0.000 1.274 216 S CA -0.460 57.861 58.200 0.202 0.000 1.053 216 S CB 0.385 63.734 63.200 0.247 0.000 0.919 216 S HN 0.128 nan 8.310 nan 0.000 0.490 217 I N 4.754 125.317 120.570 -0.012 0.000 2.202 217 I HA -0.167 4.005 4.170 0.004 0.000 0.242 217 I C 2.593 178.584 176.117 -0.209 0.000 1.091 217 I CA 1.171 62.239 61.300 -0.387 0.000 1.368 217 I CB -0.237 37.302 38.000 -0.768 0.000 1.058 217 I HN 0.655 nan 8.210 nan 0.000 0.410 218 R N -0.426 120.021 120.500 -0.088 0.000 2.105 218 R HA -0.233 4.109 4.340 0.004 0.000 0.239 218 R C 2.332 178.694 176.300 0.103 0.000 1.135 218 R CA 1.522 57.620 56.100 -0.003 0.000 0.967 218 R CB -0.672 29.631 30.300 0.005 0.000 0.861 218 R HN 0.422 nan 8.270 nan 0.000 0.442 219 H N 0.941 120.046 119.070 0.059 0.000 2.293 219 H HA -0.005 4.554 4.556 0.003 0.000 0.300 219 H C 1.665 177.065 175.328 0.119 0.000 1.082 219 H CA 1.748 57.846 56.048 0.084 0.000 1.308 219 H CB -0.202 29.641 29.762 0.134 0.000 1.375 219 H HN 0.112 nan 8.280 nan 0.000 0.495 220 N N 0.133 118.877 118.700 0.073 0.000 2.166 220 N HA -0.133 4.610 4.740 0.004 0.000 0.186 220 N C 2.102 177.701 175.510 0.149 0.000 1.019 220 N CA 1.114 54.215 53.050 0.085 0.000 0.856 220 N CB -0.244 38.456 38.487 0.354 0.000 0.993 220 N HN 0.347 nan 8.380 nan 0.000 0.426 221 L N 1.033 122.394 121.223 0.230 0.000 2.046 221 L HA -0.104 4.238 4.340 0.004 0.000 0.208 221 L C 2.041 178.965 176.870 0.090 0.000 1.077 221 L CA 1.283 56.260 54.840 0.228 0.000 0.747 221 L CB -0.298 41.886 42.059 0.207 0.000 0.896 221 L HN -0.130 nan 8.230 nan 0.000 0.432 222 V N -0.859 119.080 119.914 0.041 0.000 2.302 222 V HA -0.194 3.928 4.120 0.004 0.000 0.243 222 V C 2.390 178.434 176.094 -0.083 0.000 1.036 222 V CA 1.390 63.691 62.300 0.001 0.000 1.020 222 V CB -0.566 31.258 31.823 0.001 0.000 0.657 222 V HN 0.491 nan 8.190 nan 0.000 0.453 223 L N 1.192 122.336 121.223 -0.132 0.000 2.021 223 L HA -0.234 4.108 4.340 0.004 0.000 0.215 223 L C 2.162 178.934 176.870 -0.164 0.000 1.074 223 L CA 2.259 56.987 54.840 -0.186 0.000 0.760 223 L CB -0.947 40.948 42.059 -0.275 0.000 0.889 223 L HN 0.333 nan 8.230 nan 0.000 0.433 224 N N -0.296 118.350 118.700 -0.090 0.000 2.106 224 N HA -0.186 4.557 4.740 0.004 0.000 0.188 224 N C 1.839 177.296 175.510 -0.088 0.000 1.029 224 N CA 1.279 54.287 53.050 -0.070 0.000 0.848 224 N CB -0.428 38.036 38.487 -0.037 0.000 1.007 224 N HN 0.230 nan 8.380 nan 0.000 0.423 225 K N 1.475 121.835 120.400 -0.067 0.000 2.044 225 K HA -0.001 4.321 4.320 0.004 0.000 0.210 225 K C 1.877 178.416 176.600 -0.102 0.000 1.049 225 K CA 1.096 57.349 56.287 -0.057 0.000 0.927 225 K CB -0.640 31.854 32.500 -0.009 0.000 0.713 225 K HN 0.189 nan 8.250 nan 0.000 0.443 226 L N -0.204 120.886 121.223 -0.222 0.000 2.201 226 L HA -0.132 4.211 4.340 0.004 0.000 0.212 226 L C 2.192 178.814 176.870 -0.413 0.000 1.105 226 L CA 1.448 56.031 54.840 -0.428 0.000 0.775 226 L CB -0.564 40.875 42.059 -1.033 0.000 0.913 226 L HN 0.212 nan 8.230 nan 0.000 0.440 227 T N -0.515 113.863 114.554 -0.293 0.000 2.812 227 T HA -0.138 4.214 4.350 0.004 0.000 0.264 227 T C 1.711 176.428 174.700 0.029 0.000 1.042 227 T CA 1.296 63.374 62.100 -0.036 0.000 1.140 227 T CB -0.045 68.828 68.868 0.009 0.000 0.870 227 T HN 0.405 nan 8.240 nan 0.000 0.445 228 E N 0.919 121.102 120.200 -0.027 0.000 2.058 228 E HA -0.145 4.207 4.350 0.004 0.000 0.194 228 E C 2.436 179.022 176.600 -0.025 0.000 0.997 228 E CA 0.912 57.296 56.400 -0.026 0.000 0.801 228 E CB -0.074 29.598 29.700 -0.047 0.000 0.746 228 E HN 0.306 nan 8.360 nan 0.000 0.450 229 E N 0.227 120.401 120.200 -0.043 0.000 2.085 229 E HA -0.166 4.187 4.350 0.004 0.000 0.194 229 E C 1.734 178.195 176.600 -0.231 0.000 0.994 229 E CA 1.266 57.582 56.400 -0.141 0.000 0.801 229 E CB -0.166 29.437 29.700 -0.162 0.000 0.743 229 E HN 0.457 nan 8.360 nan 0.000 0.453 230 Y N 1.024 121.364 120.300 0.067 0.000 2.466 230 Y HA 0.042 4.593 4.550 0.003 0.000 0.272 230 Y C 0.155 176.102 175.900 0.078 0.000 1.169 230 Y CA -0.187 57.980 58.100 0.112 0.000 1.285 230 Y CB -0.147 38.462 38.460 0.247 0.000 1.078 230 Y HN -0.057 nan 8.280 nan 0.000 0.523 231 K N 0.284 120.771 120.400 0.146 0.000 5.002 231 K HA -0.240 4.082 4.320 0.004 0.000 0.357 231 K C 0.728 177.379 176.600 0.086 0.000 0.735 231 K CA 0.752 57.087 56.287 0.080 0.000 0.918 231 K CB -1.835 30.678 32.500 0.022 0.000 2.011 231 K HN 0.521 nan 8.250 nan 0.000 0.337 232 G N 2.596 111.450 108.800 0.090 0.000 2.421 232 G HA2 -0.319 3.643 3.960 0.004 0.000 0.300 232 G HA3 -0.319 3.643 3.960 0.004 0.000 0.300 232 G C 0.378 175.324 174.900 0.077 0.000 0.974 232 G CA 1.017 46.160 45.100 0.072 0.000 1.062 232 G HN 0.858 nan 8.290 nan 0.000 0.514 233 Q N -1.556 118.315 119.800 0.119 0.000 2.527 233 Q HA 0.196 4.538 4.340 0.004 0.000 0.252 233 Q C 1.093 177.115 176.000 0.037 0.000 0.827 233 Q CA 0.004 55.870 55.803 0.105 0.000 0.979 233 Q CB 0.874 29.721 28.738 0.183 0.000 1.248 233 Q HN 0.409 nan 8.270 nan 0.000 0.578 234 R N 1.030 121.555 120.500 0.041 0.000 2.673 234 R HA 0.400 4.742 4.340 0.004 0.000 0.281 234 R C -1.474 174.774 176.300 -0.087 0.000 0.991 234 R CA -0.524 55.457 56.100 -0.198 0.000 0.896 234 R CB 1.752 31.683 30.300 -0.615 0.000 1.201 234 R HN 0.036 nan 8.270 nan 0.000 0.457 235 D N 2.153 122.450 120.400 -0.172 0.000 2.177 235 D HA 0.415 5.057 4.640 0.004 0.000 0.247 235 D C -0.487 175.662 176.300 -0.252 0.000 1.063 235 D CA 0.075 54.040 54.000 -0.059 0.000 0.867 235 D CB 1.175 41.965 40.800 -0.017 0.000 1.168 235 D HN 0.153 nan 8.370 nan 0.000 0.445 236 F N 0.883 120.828 119.950 -0.009 0.000 2.546 236 F HA 0.370 4.899 4.527 0.003 0.000 0.320 236 F C 0.714 176.518 175.800 0.007 0.000 1.076 236 F CA -0.676 57.318 58.000 -0.010 0.000 0.928 236 F CB 1.866 40.861 39.000 -0.009 0.000 1.189 236 F HN 0.215 nan 8.300 nan 0.000 0.465 237 Q N 0.399 120.322 119.800 0.204 0.000 2.737 237 Q HA 0.326 4.668 4.340 0.004 0.000 0.307 237 Q C -1.735 174.363 176.000 0.164 0.000 0.905 237 Q CA -1.223 54.666 55.803 0.144 0.000 0.753 237 Q CB 1.841 30.634 28.738 0.092 0.000 1.463 237 Q HN 0.650 nan 8.270 nan 0.000 0.455 238 Q N 1.026 120.939 119.800 0.187 0.000 2.332 238 Q HA 0.283 4.625 4.340 0.004 0.000 0.263 238 Q C -0.333 175.730 176.000 0.106 0.000 0.979 238 Q CA -0.294 55.640 55.803 0.218 0.000 0.885 238 Q CB 0.590 29.467 28.738 0.231 0.000 1.218 238 Q HN 0.590 nan 8.270 nan 0.000 0.405 239 I N 6.474 127.079 120.570 0.057 0.000 2.906 239 I HA -0.126 4.046 4.170 0.004 0.000 0.302 239 I C -1.966 174.164 176.117 0.021 0.000 1.220 239 I CA -0.968 60.340 61.300 0.014 0.000 1.441 239 I CB 0.078 38.050 38.000 -0.047 0.000 1.336 239 I HN 0.488 nan 8.210 nan 0.000 0.565 240 P HA 0.299 nan 4.420 nan 0.000 0.275 240 P C -0.894 176.397 177.300 -0.016 0.000 1.227 240 P CA -0.069 63.036 63.100 0.008 0.000 0.781 240 P CB 0.672 32.366 31.700 -0.010 0.000 0.906 241 L N 1.751 122.979 121.223 0.007 0.000 2.470 241 L HA 0.518 4.860 4.340 0.004 0.000 0.268 241 L C -0.181 176.691 176.870 0.003 0.000 0.964 241 L CA -1.115 53.730 54.840 0.008 0.000 0.839 241 L CB 2.229 44.371 42.059 0.138 0.000 1.276 241 L HN 0.303 nan 8.230 nan 0.000 0.403 242 A N 3.562 126.322 122.820 -0.099 0.000 2.671 242 A HA 0.734 5.056 4.320 0.004 0.000 0.306 242 A C 0.105 177.736 177.584 0.079 0.000 1.473 242 A CA 0.243 52.261 52.037 -0.031 0.000 1.155 242 A CB -0.285 18.564 19.000 -0.252 0.000 1.123 242 A HN 0.813 nan 8.150 nan 0.000 0.545 243 A N 2.001 124.853 122.820 0.054 0.000 2.585 243 A HA 0.659 4.982 4.320 0.004 0.000 0.299 243 A C -0.490 177.007 177.584 -0.144 0.000 1.047 243 A CA -0.463 51.522 52.037 -0.087 0.000 0.723 243 A CB 0.561 19.398 19.000 -0.273 0.000 1.275 243 A HN 0.683 nan 8.150 nan 0.000 0.408 244 T N 1.672 116.112 114.554 -0.190 0.000 2.809 244 T HA 0.521 4.873 4.350 0.004 0.000 0.284 244 T C 0.042 174.599 174.700 -0.239 0.000 0.992 244 T CA -0.461 61.544 62.100 -0.158 0.000 0.957 244 T CB 1.289 70.122 68.868 -0.059 0.000 0.942 244 T HN 0.742 nan 8.240 nan 0.000 0.439 245 R N 2.157 122.497 120.500 -0.266 0.000 2.491 245 R HA 0.270 4.612 4.340 0.004 0.000 0.283 245 R C 0.763 176.977 176.300 -0.142 0.000 1.072 245 R CA -0.384 55.543 56.100 -0.287 0.000 1.048 245 R CB 0.395 30.491 30.300 -0.341 0.000 0.983 245 R HN 0.435 nan 8.270 nan 0.000 0.450 246 R N 0.957 121.425 120.500 -0.054 0.000 2.191 246 R HA 0.137 4.479 4.340 0.004 0.000 0.196 246 R C 0.151 176.429 176.300 -0.037 0.000 0.991 246 R CA 0.726 56.822 56.100 -0.007 0.000 1.075 246 R CB 0.388 30.740 30.300 0.088 0.000 1.040 246 R HN 0.761 nan 8.270 nan 0.000 0.526 247 S N -1.021 114.668 115.700 -0.018 0.000 2.607 247 S HA 0.408 4.881 4.470 0.004 0.000 0.273 247 S C -2.531 172.032 174.600 -0.061 0.000 1.148 247 S CA -1.186 56.993 58.200 -0.036 0.000 0.833 247 S CB 2.518 65.712 63.200 -0.011 0.000 1.130 247 S HN -0.261 nan 8.310 nan 0.000 0.470 248 P HA -0.067 nan 4.420 nan 0.000 0.219 248 P C 1.150 178.408 177.300 -0.069 0.000 1.144 248 P CA 2.020 65.069 63.100 -0.086 0.000 0.806 248 P CB -0.269 31.398 31.700 -0.055 0.000 0.771 249 T N -7.421 107.123 114.554 -0.017 0.000 3.043 249 T HA 0.238 4.590 4.350 0.004 0.000 0.272 249 T C -0.155 174.580 174.700 0.058 0.000 0.990 249 T CA -0.354 61.755 62.100 0.014 0.000 0.897 249 T CB -0.486 68.410 68.868 0.048 0.000 1.111 249 T HN -0.117 nan 8.240 nan 0.000 0.529 250 F N 2.043 121.917 119.950 -0.127 0.000 2.499 250 F HA 0.686 5.215 4.527 0.005 0.000 0.333 250 F C -1.048 174.598 175.800 -0.258 0.000 1.138 250 F CA -1.230 56.684 58.000 -0.144 0.000 0.945 250 F CB 1.836 40.776 39.000 -0.100 0.000 1.181 250 F HN -0.133 nan 8.300 nan 0.000 0.435 251 V N 5.453 124.981 119.914 -0.643 0.000 2.472 251 V HA 0.243 4.365 4.120 0.004 0.000 0.290 251 V C -0.213 175.326 176.094 -0.924 0.000 1.037 251 V CA -0.696 61.117 62.300 -0.812 0.000 0.908 251 V CB 1.648 32.729 31.823 -1.237 0.000 0.985 251 V HN 0.711 nan 8.190 nan 0.000 0.454 252 E N 4.591 124.511 120.200 -0.467 0.000 1.993 252 E HA 0.180 4.532 4.350 0.004 0.000 0.271 252 E C -1.130 175.338 176.600 -0.219 0.000 1.008 252 E CA -0.578 55.713 56.400 -0.181 0.000 0.814 252 E CB 0.447 30.214 29.700 0.112 0.000 1.098 252 E HN 0.643 nan 8.360 nan 0.000 0.407 253 W N 2.470 123.656 121.300 -0.191 0.000 2.190 253 W HA 0.110 4.773 4.660 0.006 0.000 0.330 253 W C 0.720 177.242 176.519 0.004 0.000 1.299 253 W CA -0.512 56.694 57.345 -0.232 0.000 1.215 253 W CB 0.859 29.934 29.460 -0.642 0.000 1.147 253 W HN 0.296 nan 8.180 nan 0.000 0.563 254 S N 1.594 117.508 115.700 0.357 0.000 2.632 254 S HA 0.628 5.100 4.470 0.004 0.000 0.267 254 S C 0.058 175.094 174.600 0.726 0.000 1.276 254 S CA -0.622 57.854 58.200 0.461 0.000 0.998 254 S CB 1.194 64.674 63.200 0.465 0.000 0.953 254 S HN 0.504 nan 8.310 nan 0.000 0.547 255 S N -0.425 115.663 115.700 0.647 0.000 2.661 255 S HA 0.665 5.137 4.470 0.004 0.000 0.268 255 S C 0.726 175.531 174.600 0.341 0.000 1.162 255 S CA -0.354 58.159 58.200 0.521 0.000 0.817 255 S CB 0.521 63.954 63.200 0.388 0.000 1.141 255 S HN 0.752 nan 8.310 nan 0.000 0.477 256 A N 1.646 124.551 122.820 0.142 0.000 1.940 256 A HA -0.239 4.083 4.320 0.004 0.000 0.221 256 A C 2.007 179.640 177.584 0.082 0.000 1.190 256 A CA 2.318 54.397 52.037 0.070 0.000 0.647 256 A CB -1.685 17.318 19.000 0.006 0.000 0.821 256 A HN 0.885 nan 8.150 nan 0.000 0.457 257 N N -0.807 117.951 118.700 0.096 0.000 2.091 257 N HA -0.186 4.556 4.740 0.004 0.000 0.193 257 N C 1.621 177.167 175.510 0.059 0.000 1.021 257 N CA 2.210 55.296 53.050 0.060 0.000 0.862 257 N CB -0.207 38.330 38.487 0.084 0.000 1.018 257 N HN 0.532 nan 8.380 nan 0.000 0.429 258 T N 0.565 115.202 114.554 0.138 0.000 2.746 258 T HA -0.076 4.277 4.350 0.004 0.000 0.267 258 T C 2.097 176.831 174.700 0.056 0.000 1.039 258 T CA 1.337 63.519 62.100 0.135 0.000 1.142 258 T CB -0.322 68.705 68.868 0.265 0.000 0.866 258 T HN 0.094 nan 8.240 nan 0.000 0.444 259 V N -0.610 119.322 119.914 0.030 0.000 2.453 259 V HA 0.155 4.277 4.120 0.004 0.000 0.247 259 V C 0.525 176.590 176.094 -0.047 0.000 1.048 259 V CA 0.887 63.131 62.300 -0.094 0.000 1.049 259 V CB -0.549 31.179 31.823 -0.159 0.000 0.672 259 V HN 0.456 nan 8.190 nan 0.000 0.457 260 F N 1.144 120.972 119.950 -0.204 0.000 2.623 260 F HA 0.395 4.925 4.527 0.003 0.000 0.323 260 F C 0.015 175.699 175.800 -0.193 0.000 1.158 260 F CA -1.783 56.067 58.000 -0.251 0.000 1.030 260 F CB 1.466 40.267 39.000 -0.332 0.000 1.280 260 F HN 0.146 nan 8.300 nan 0.000 0.474 261 D N 4.729 124.717 120.400 -0.687 0.000 2.363 261 D HA 0.016 4.658 4.640 0.004 0.000 0.226 261 D C 1.265 177.286 176.300 -0.465 0.000 1.020 261 D CA 0.849 54.580 54.000 -0.449 0.000 0.892 261 D CB -0.004 40.594 40.800 -0.337 0.000 0.900 261 D HN 0.659 nan 8.370 nan 0.000 0.531 262 L N -1.977 118.793 121.223 -0.756 0.000 4.988 262 L HA -0.257 4.085 4.340 0.004 0.000 0.439 262 L C -0.286 176.503 176.870 -0.135 0.000 1.080 262 L CA 0.661 55.287 54.840 -0.356 0.000 1.018 262 L CB -1.193 40.827 42.059 -0.064 0.000 1.945 262 L HN 0.288 nan 8.230 nan 0.000 0.782 263 Q N 1.344 120.980 119.800 -0.274 0.000 2.281 263 Q HA 0.162 4.504 4.340 0.004 0.000 0.267 263 Q C 0.356 176.373 176.000 0.029 0.000 1.053 263 Q CA 0.045 55.783 55.803 -0.109 0.000 0.905 263 Q CB 0.504 29.151 28.738 -0.152 0.000 1.195 263 Q HN 0.181 nan 8.270 nan 0.000 0.398 264 N N 2.358 121.116 118.700 0.096 0.000 2.098 264 N HA -0.143 4.600 4.740 0.004 0.000 0.268 264 N C -0.318 175.249 175.510 0.096 0.000 1.238 264 N CA 1.037 54.141 53.050 0.090 0.000 0.822 264 N CB 0.436 38.893 38.487 -0.050 0.000 1.063 264 N HN 0.335 nan 8.380 nan 0.000 0.471 265 R N 1.174 121.754 120.500 0.134 0.000 2.740 265 R HA 0.471 4.814 4.340 0.004 0.000 0.273 265 R C -2.551 173.808 176.300 0.098 0.000 0.998 265 R CA -1.621 54.548 56.100 0.115 0.000 0.900 265 R CB 2.054 32.454 30.300 0.166 0.000 1.223 265 R HN 0.417 nan 8.270 nan 0.000 0.466 266 P HA 0.054 nan 4.420 nan 0.000 0.271 266 P C -1.390 175.939 177.300 0.047 0.000 1.218 266 P CA -0.108 63.039 63.100 0.077 0.000 0.780 266 P CB 0.701 32.460 31.700 0.099 0.000 0.901 267 N N -0.359 118.358 118.700 0.029 0.000 3.102 267 N HA 0.242 4.984 4.740 0.004 0.000 0.299 267 N C 0.757 176.268 175.510 0.002 0.000 1.482 267 N CA -0.741 52.315 53.050 0.011 0.000 0.785 267 N CB -0.682 37.802 38.487 -0.005 0.000 1.680 267 N HN 0.096 nan 8.380 nan 0.000 0.594 268 T N -0.761 113.790 114.554 -0.005 0.000 2.699 268 T HA -0.142 4.210 4.350 0.004 0.000 0.268 268 T C 0.238 174.927 174.700 -0.019 0.000 1.036 268 T CA 2.113 64.207 62.100 -0.010 0.000 1.147 268 T CB -0.548 68.313 68.868 -0.012 0.000 0.862 268 T HN 0.598 nan 8.240 nan 0.000 0.446 269 D N 0.757 121.143 120.400 -0.025 0.000 2.349 269 D HA 0.390 5.032 4.640 0.004 0.000 0.215 269 D C 0.633 176.914 176.300 -0.031 0.000 1.016 269 D CA 0.442 54.422 54.000 -0.032 0.000 0.870 269 D CB 0.219 40.994 40.800 -0.042 0.000 0.917 269 D HN 0.416 nan 8.370 nan 0.000 0.524 270 A N 0.421 123.227 122.820 -0.023 0.000 3.399 270 A HA 0.306 4.628 4.320 0.004 0.000 0.262 270 A C -2.214 175.367 177.584 -0.006 0.000 1.145 270 A CA -0.755 51.272 52.037 -0.016 0.000 0.916 270 A CB 0.520 19.518 19.000 -0.003 0.000 1.360 270 A HN -0.129 nan 8.150 nan 0.000 0.628 271 P HA 0.032 nan 4.420 nan 0.000 0.236 271 P C 0.586 177.869 177.300 -0.029 0.000 1.177 271 P CA 0.930 64.024 63.100 -0.009 0.000 0.773 271 P CB 0.471 32.159 31.700 -0.020 0.000 0.878 272 E N -0.028 120.119 120.200 -0.087 0.000 2.465 272 E HA 0.122 4.474 4.350 0.004 0.000 0.195 272 E C 0.163 176.753 176.600 -0.017 0.000 1.028 272 E CA 0.160 56.468 56.400 -0.153 0.000 0.899 272 E CB 0.335 29.869 29.700 -0.277 0.000 1.032 272 E HN 0.499 nan 8.360 nan 0.000 0.468 273 E N 0.899 121.122 120.200 0.038 0.000 2.222 273 E HA 0.432 4.784 4.350 0.004 0.000 0.272 273 E C -0.168 176.515 176.600 0.137 0.000 0.982 273 E CA -0.568 55.885 56.400 0.090 0.000 0.842 273 E CB 1.515 31.271 29.700 0.093 0.000 1.144 273 E HN -0.147 nan 8.360 nan 0.000 0.397 274 R N 2.206 122.808 120.500 0.170 0.000 2.412 274 R HA 0.360 4.703 4.340 0.004 0.000 0.304 274 R C -1.403 175.045 176.300 0.246 0.000 1.066 274 R CA -0.438 55.772 56.100 0.184 0.000 0.923 274 R CB 0.686 31.083 30.300 0.162 0.000 1.156 274 R HN 0.392 nan 8.270 nan 0.000 0.513 275 F N 1.921 121.909 119.950 0.062 0.000 2.591 275 F HA 0.489 5.018 4.527 0.004 0.000 0.309 275 F C -1.508 174.248 175.800 -0.074 0.000 1.098 275 F CA -0.710 57.307 58.000 0.028 0.000 0.937 275 F CB 2.145 41.235 39.000 0.150 0.000 1.250 275 F HN 0.322 nan 8.300 nan 0.000 0.447 276 N N 4.621 122.437 118.700 -1.473 0.000 2.371 276 N HA 0.531 5.273 4.740 0.004 0.000 0.291 276 N C -2.135 172.300 175.510 -1.791 0.000 1.053 276 N CA -0.621 51.576 53.050 -1.421 0.000 0.870 276 N CB 2.361 40.222 38.487 -1.044 0.000 1.503 276 N HN 0.593 nan 8.380 nan 0.000 0.485 277 L N 2.763 123.251 121.223 -1.225 0.000 2.287 277 L HA 0.633 4.975 4.340 0.004 0.000 0.287 277 L C -1.691 174.798 176.870 -0.636 0.000 1.022 277 L CA -0.270 54.172 54.840 -0.663 0.000 0.814 277 L CB 0.081 42.086 42.059 -0.091 0.000 1.217 277 L HN 0.446 nan 8.230 nan 0.000 0.420 278 F N 6.927 126.727 119.950 -0.250 0.000 2.311 278 F HA 0.563 5.092 4.527 0.004 0.000 0.371 278 F C -2.064 173.751 175.800 0.024 0.000 1.083 278 F CA -2.141 55.807 58.000 -0.086 0.000 1.113 278 F CB 0.641 39.631 39.000 -0.017 0.000 1.349 278 F HN 0.437 nan 8.300 nan 0.000 0.470 279 P HA 0.301 nan 4.420 nan 0.000 0.279 279 P C 0.071 177.446 177.300 0.124 0.000 1.282 279 P CA -0.160 63.013 63.100 0.120 0.000 0.788 279 P CB 0.782 32.525 31.700 0.072 0.000 1.139 280 A N -1.889 120.976 122.820 0.075 0.000 2.799 280 A HA -0.126 4.196 4.320 0.004 0.000 0.287 280 A C 0.100 177.701 177.584 0.029 0.000 1.484 280 A CA 1.016 53.081 52.037 0.047 0.000 0.813 280 A CB -2.526 16.503 19.000 0.048 0.000 1.009 280 A HN 0.247 nan 8.150 nan 0.000 0.545 281 V N -0.516 119.429 119.914 0.051 0.000 2.284 281 V HA 0.624 4.746 4.120 0.004 0.000 0.274 281 V C 0.720 176.783 176.094 -0.050 0.000 1.023 281 V CA -0.380 61.926 62.300 0.010 0.000 0.808 281 V CB 0.892 32.762 31.823 0.078 0.000 1.035 281 V HN 1.397 nan 8.190 nan 0.000 0.445 282 A N 4.114 126.873 122.820 -0.101 0.000 2.489 282 A HA 0.289 4.611 4.320 0.004 0.000 0.289 282 A C 0.475 178.022 177.584 -0.061 0.000 1.216 282 A CA -0.138 51.832 52.037 -0.111 0.000 0.883 282 A CB -0.625 18.326 19.000 -0.082 0.000 1.110 282 A HN 0.897 nan 8.150 nan 0.000 0.523 283 C N 3.174 122.421 119.300 -0.089 0.000 2.566 283 C HA 0.235 4.697 4.460 0.004 0.000 0.393 283 C C 1.373 176.343 174.990 -0.035 0.000 1.309 283 C CA -0.366 58.602 59.018 -0.084 0.000 1.801 283 C CB -0.839 26.850 27.740 -0.084 0.000 2.493 283 C HN 0.946 nan 8.230 nan 0.000 0.575 284 E N 0.904 121.104 120.200 -0.000 0.000 2.307 284 E HA 0.081 4.433 4.350 0.004 0.000 0.195 284 E C 0.710 177.299 176.600 -0.017 0.000 0.975 284 E CA 0.334 56.741 56.400 0.012 0.000 0.878 284 E CB 0.534 30.260 29.700 0.044 0.000 0.845 284 E HN 0.661 nan 8.360 nan 0.000 0.488 285 R N 0.705 121.194 120.500 -0.018 0.000 2.633 285 R HA 0.150 4.493 4.340 0.004 0.000 0.256 285 R C -1.288 174.967 176.300 -0.074 0.000 1.131 285 R CA -0.408 55.659 56.100 -0.056 0.000 0.994 285 R CB 1.503 31.758 30.300 -0.074 0.000 1.261 285 R HN 0.002 nan 8.270 nan 0.000 0.446 286 V N 1.217 121.067 119.914 -0.106 0.000 2.904 286 V HA 0.735 4.857 4.120 0.004 0.000 0.305 286 V C -0.472 175.533 176.094 -0.149 0.000 1.067 286 V CA -0.378 61.825 62.300 -0.162 0.000 1.044 286 V CB 1.727 33.423 31.823 -0.213 0.000 1.050 286 V HN 0.398 nan 8.190 nan 0.000 0.475 287 V N 4.270 124.075 119.914 -0.181 0.000 2.448 287 V HA 0.555 4.677 4.120 0.004 0.000 0.295 287 V C 0.348 176.406 176.094 -0.061 0.000 1.025 287 V CA -0.652 61.564 62.300 -0.140 0.000 0.859 287 V CB 1.280 33.002 31.823 -0.168 0.000 0.988 287 V HN 0.989 nan 8.190 nan 0.000 0.431 288 R N 2.918 123.409 120.500 -0.014 0.000 2.528 288 R HA 0.396 4.738 4.340 0.004 0.000 0.271 288 R C 0.122 176.440 176.300 0.031 0.000 1.056 288 R CA -0.669 55.478 56.100 0.077 0.000 1.117 288 R CB 0.728 31.068 30.300 0.066 0.000 1.085 288 R HN 0.873 nan 8.270 nan 0.000 0.530 289 N N 0.624 119.348 118.700 0.039 0.000 2.381 289 N HA 0.050 4.792 4.740 0.004 0.000 0.254 289 N C 0.371 175.861 175.510 -0.034 0.000 1.264 289 N CA -0.144 52.902 53.050 -0.006 0.000 0.942 289 N CB 0.384 38.865 38.487 -0.010 0.000 1.190 289 N HN 0.591 nan 8.380 nan 0.000 0.495 290 A N -0.069 122.729 122.820 -0.037 0.000 2.015 290 A HA -0.012 4.310 4.320 0.004 0.000 0.219 290 A C 2.068 179.611 177.584 -0.068 0.000 1.163 290 A CA 0.559 52.568 52.037 -0.047 0.000 0.646 290 A CB -0.711 18.269 19.000 -0.035 0.000 0.806 290 A HN 0.664 nan 8.150 nan 0.000 0.448 291 L N -1.125 120.051 121.223 -0.080 0.000 2.275 291 L HA -0.144 4.198 4.340 0.004 0.000 0.215 291 L C 0.273 177.026 176.870 -0.195 0.000 1.119 291 L CA 0.844 55.616 54.840 -0.112 0.000 0.790 291 L CB -0.462 41.535 42.059 -0.103 0.000 0.919 291 L HN 0.491 nan 8.230 nan 0.000 0.443 292 N N -0.406 118.150 118.700 -0.240 0.000 2.714 292 N HA -0.182 4.561 4.740 0.004 0.000 0.250 292 N C 1.123 175.995 175.510 -1.062 0.000 1.117 292 N CA 1.075 53.816 53.050 -0.516 0.000 0.719 292 N CB -1.329 36.960 38.487 -0.329 0.000 1.081 292 N HN 0.513 nan 8.380 nan 0.000 0.557 293 S N -1.864 113.481 115.700 -0.591 0.000 2.535 293 S HA 0.244 4.716 4.470 0.004 0.000 0.214 293 S C 0.413 174.837 174.600 -0.294 0.000 0.980 293 S CA 0.085 58.006 58.200 -0.465 0.000 0.907 293 S CB 1.317 64.403 63.200 -0.190 0.000 0.790 293 S HN 0.342 nan 8.310 nan 0.000 0.510 294 E N -0.175 119.926 120.200 -0.165 0.000 2.390 294 E HA 0.418 4.770 4.350 0.004 0.000 0.280 294 E C -1.758 175.013 176.600 0.286 0.000 0.992 294 E CA -0.750 55.743 56.400 0.155 0.000 0.790 294 E CB 1.655 31.418 29.700 0.106 0.000 1.248 294 E HN 0.098 nan 8.360 nan 0.000 0.447 295 I N 2.798 123.515 120.570 0.246 0.000 2.377 295 I HA 0.153 4.325 4.170 0.004 0.000 0.293 295 I C 0.884 176.987 176.117 -0.023 0.000 0.987 295 I CA -0.100 61.202 61.300 0.003 0.000 1.185 295 I CB 1.466 39.276 38.000 -0.317 0.000 1.341 295 I HN 0.612 nan 8.210 nan 0.000 0.455 296 E N 3.289 123.460 120.200 -0.049 0.000 2.251 296 E HA 0.064 4.417 4.350 0.004 0.000 0.194 296 E C 0.401 177.076 176.600 0.124 0.000 0.964 296 E CA 0.477 56.920 56.400 0.072 0.000 0.868 296 E CB 0.573 30.306 29.700 0.054 0.000 0.828 296 E HN 0.694 nan 8.360 nan 0.000 0.481 297 S N -0.361 115.321 115.700 -0.030 0.000 2.595 297 S HA 0.464 4.937 4.470 0.004 0.000 0.270 297 S C -1.595 173.018 174.600 0.021 0.000 1.145 297 S CA -1.052 57.231 58.200 0.138 0.000 0.825 297 S CB 1.239 64.555 63.200 0.194 0.000 1.107 297 S HN 0.023 nan 8.310 nan 0.000 0.461 298 L N 2.206 123.563 121.223 0.224 0.000 2.305 298 L HA 0.562 4.904 4.340 0.004 0.000 0.284 298 L C -0.709 176.285 176.870 0.207 0.000 1.013 298 L CA -0.156 54.778 54.840 0.156 0.000 0.819 298 L CB 1.037 43.226 42.059 0.216 0.000 1.227 298 L HN 0.911 nan 8.230 nan 0.000 0.417 299 H N 6.269 125.320 119.070 -0.032 0.000 2.668 299 H HA 0.441 4.999 4.556 0.004 0.000 0.303 299 H C -0.235 175.050 175.328 -0.071 0.000 1.074 299 H CA -0.426 55.599 56.048 -0.038 0.000 1.406 299 H CB 1.094 30.834 29.762 -0.038 0.000 1.442 299 H HN 0.677 nan 8.280 nan 0.000 0.482 300 I N 0.158 120.710 120.570 -0.031 0.000 3.023 300 I HA 0.427 4.599 4.170 0.004 0.000 0.312 300 I C -0.597 175.545 176.117 0.041 0.000 1.056 300 I CA -0.965 60.277 61.300 -0.096 0.000 1.033 300 I CB 2.770 40.561 38.000 -0.349 0.000 1.233 300 I HN 0.585 nan 8.210 nan 0.000 0.462 301 H N 1.965 120.994 119.070 -0.069 0.000 3.172 301 H HA 0.210 4.769 4.556 0.004 0.000 0.322 301 H C -1.535 173.805 175.328 0.020 0.000 1.003 301 H CA -0.697 55.340 56.048 -0.018 0.000 1.466 301 H CB 1.309 31.068 29.762 -0.005 0.000 1.673 301 H HN 0.777 nan 8.280 nan 0.000 0.512 302 D N 5.573 126.050 120.400 0.129 0.000 2.358 302 D HA 0.002 4.644 4.640 0.004 0.000 0.258 302 D C 1.135 177.371 176.300 -0.107 0.000 1.223 302 D CA -0.041 53.980 54.000 0.037 0.000 0.886 302 D CB 1.024 41.926 40.800 0.170 0.000 1.120 302 D HN 0.685 nan 8.370 nan 0.000 0.482 303 L N 4.312 125.435 121.223 -0.165 0.000 2.554 303 L HA -0.053 4.289 4.340 0.004 0.000 0.226 303 L C 1.767 178.615 176.870 -0.038 0.000 1.137 303 L CA -0.090 54.650 54.840 -0.166 0.000 0.863 303 L CB 0.022 42.018 42.059 -0.104 0.000 0.985 303 L HN 0.499 nan 8.230 nan 0.000 0.451 304 I N -0.692 119.881 120.570 0.004 0.000 2.512 304 I HA -0.105 4.067 4.170 0.004 0.000 0.247 304 I C 2.759 178.901 176.117 0.042 0.000 1.094 304 I CA 1.449 62.767 61.300 0.029 0.000 1.427 304 I CB -1.230 36.795 38.000 0.042 0.000 1.149 304 I HN 0.255 nan 8.210 nan 0.000 0.438 305 S N 0.737 116.476 115.700 0.064 0.000 2.368 305 S HA 0.033 4.506 4.470 0.004 0.000 0.224 305 S C 1.913 176.559 174.600 0.077 0.000 1.029 305 S CA 1.406 59.655 58.200 0.082 0.000 0.988 305 S CB -0.328 62.953 63.200 0.135 0.000 0.838 305 S HN 0.591 nan 8.310 nan 0.000 0.462 306 G N 1.090 109.945 108.800 0.092 0.000 2.284 306 G HA2 -0.176 3.786 3.960 0.004 0.000 0.216 306 G HA3 -0.176 3.786 3.960 0.004 0.000 0.216 306 G C -0.318 174.704 174.900 0.204 0.000 1.009 306 G CA 0.078 45.271 45.100 0.155 0.000 0.625 306 G HN 0.555 nan 8.290 nan 0.000 0.501 307 D N 1.163 121.619 120.400 0.093 0.000 2.382 307 D HA 0.559 5.201 4.640 0.004 0.000 0.240 307 D C 0.983 177.215 176.300 -0.113 0.000 1.146 307 D CA 0.258 54.202 54.000 -0.093 0.000 0.897 307 D CB 0.665 41.337 40.800 -0.213 0.000 1.197 307 D HN 0.448 nan 8.370 nan 0.000 0.432 308 R N 0.384 120.654 120.500 -0.384 0.000 2.787 308 R HA 0.685 5.027 4.340 0.004 0.000 0.271 308 R C -0.679 175.187 176.300 -0.724 0.000 0.993 308 R CA -0.592 55.310 56.100 -0.330 0.000 0.993 308 R CB 1.224 31.372 30.300 -0.254 0.000 1.155 308 R HN 0.292 nan 8.270 nan 0.000 0.486 309 F N -0.678 119.161 119.950 -0.185 0.000 2.715 309 F HA 0.347 4.876 4.527 0.004 0.000 0.318 309 F C -0.486 175.137 175.800 -0.296 0.000 1.141 309 F CA -0.786 57.090 58.000 -0.206 0.000 0.950 309 F CB 1.916 40.827 39.000 -0.150 0.000 1.374 309 F HN 0.317 nan 8.300 nan 0.000 0.477 310 E N 2.021 122.236 120.200 0.024 0.000 2.279 310 E HA 0.382 4.734 4.350 0.004 0.000 0.252 310 E C -1.627 175.044 176.600 0.118 0.000 0.894 310 E CA -0.369 56.026 56.400 -0.008 0.000 0.785 310 E CB 0.973 30.643 29.700 -0.050 0.000 1.237 310 E HN 0.371 nan 8.360 nan 0.000 0.418 311 I N 3.132 123.794 120.570 0.153 0.000 2.488 311 I HA 0.353 4.526 4.170 0.004 0.000 0.299 311 I C 0.164 176.455 176.117 0.289 0.000 0.984 311 I CA -0.592 60.843 61.300 0.224 0.000 1.250 311 I CB 1.419 39.577 38.000 0.264 0.000 1.389 311 I HN 0.460 nan 8.210 nan 0.000 0.488 312 K N 3.583 124.148 120.400 0.275 0.000 2.318 312 K HA 0.860 5.182 4.320 0.004 0.000 0.249 312 K C -1.421 175.297 176.600 0.197 0.000 0.942 312 K CA -0.461 55.984 56.287 0.264 0.000 0.808 312 K CB 2.085 34.689 32.500 0.174 0.000 1.189 312 K HN 0.783 nan 8.250 nan 0.000 0.428 313 A N 2.387 125.253 122.820 0.077 0.000 2.605 313 A HA 0.320 4.642 4.320 0.004 0.000 0.294 313 A C -0.592 176.886 177.584 -0.176 0.000 1.062 313 A CA -0.657 51.295 52.037 -0.141 0.000 0.682 313 A CB 0.926 19.670 19.000 -0.428 0.000 1.278 313 A HN 0.749 nan 8.150 nan 0.000 0.410 314 D N -0.077 120.276 120.400 -0.078 0.000 2.084 314 D HA -0.003 4.639 4.640 0.004 0.000 0.194 314 D C 0.723 176.921 176.300 -0.170 0.000 0.990 314 D CA 1.998 56.000 54.000 0.003 0.000 0.826 314 D CB 0.025 40.892 40.800 0.112 0.000 0.971 314 D HN 0.310 nan 8.370 nan 0.000 0.453 315 V N 0.596 120.283 119.914 -0.379 0.000 2.513 315 V HA 0.256 4.378 4.120 0.004 0.000 0.299 315 V C -0.943 174.843 176.094 -0.513 0.000 1.035 315 V CA -0.759 61.295 62.300 -0.410 0.000 0.889 315 V CB 1.421 32.940 31.823 -0.508 0.000 0.988 315 V HN -0.015 nan 8.190 nan 0.000 0.440 316 Y N 2.650 122.944 120.300 -0.010 0.000 2.341 316 Y HA 0.677 5.229 4.550 0.004 0.000 0.338 316 Y C -0.126 175.745 175.900 -0.048 0.000 0.965 316 Y CA -0.969 57.115 58.100 -0.028 0.000 1.108 316 Y CB 2.054 40.500 38.460 -0.025 0.000 1.180 316 Y HN 0.329 nan 8.280 nan 0.000 0.458 317 V N 5.427 125.314 119.914 -0.046 0.000 2.409 317 V HA 0.337 4.459 4.120 0.004 0.000 0.290 317 V C -0.459 175.496 176.094 -0.230 0.000 1.017 317 V CA -0.921 61.232 62.300 -0.244 0.000 0.841 317 V CB 1.294 32.768 31.823 -0.582 0.000 1.003 317 V HN 0.602 nan 8.190 nan 0.000 0.426 318 L N 5.047 126.137 121.223 -0.222 0.000 2.260 318 L HA 0.522 4.864 4.340 0.004 0.000 0.289 318 L C 0.644 177.395 176.870 -0.199 0.000 1.057 318 L CA -0.049 54.673 54.840 -0.196 0.000 0.811 318 L CB 1.060 42.981 42.059 -0.229 0.000 1.184 318 L HN 0.808 nan 8.230 nan 0.000 0.429 319 T N -1.859 112.617 114.554 -0.129 0.000 3.533 319 T HA 0.327 4.679 4.350 0.004 0.000 0.275 319 T C 0.796 175.488 174.700 -0.013 0.000 1.000 319 T CA 0.040 62.106 62.100 -0.058 0.000 1.015 319 T CB 0.949 69.786 68.868 -0.052 0.000 1.153 319 T HN 0.560 nan 8.240 nan 0.000 0.504 320 A N 0.766 123.581 122.820 -0.008 0.000 2.251 320 A HA 0.754 5.076 4.320 0.004 0.000 0.209 320 A C 1.385 179.017 177.584 0.079 0.000 1.187 320 A CA 0.285 52.330 52.037 0.013 0.000 0.823 320 A CB -0.524 18.477 19.000 0.001 0.000 0.846 320 A HN 1.574 nan 8.150 nan 0.000 0.486 321 G N -3.115 105.752 108.800 0.110 0.000 2.392 321 G HA2 0.370 4.332 3.960 0.004 0.000 0.677 321 G HA3 0.370 4.332 3.960 0.004 0.000 0.677 321 G C 0.608 175.634 174.900 0.209 0.000 1.334 321 G CA -0.226 44.967 45.100 0.155 0.000 0.961 321 G HN 1.090 nan 8.290 nan 0.000 0.616 322 A N -0.652 122.283 122.820 0.192 0.000 1.933 322 A HA 0.239 4.561 4.320 0.004 0.000 0.218 322 A C 2.620 180.314 177.584 0.183 0.000 1.175 322 A CA 3.118 55.261 52.037 0.177 0.000 0.628 322 A CB -0.452 18.614 19.000 0.111 0.000 0.814 322 A HN 1.517 nan 8.150 nan 0.000 0.444 323 V N -0.893 119.114 119.914 0.154 0.000 2.302 323 V HA -0.190 3.932 4.120 0.004 0.000 0.243 323 V C 2.319 178.421 176.094 0.013 0.000 1.036 323 V CA 2.299 64.637 62.300 0.064 0.000 1.020 323 V CB -0.847 30.958 31.823 -0.029 0.000 0.657 323 V HN 0.737 nan 8.190 nan 0.000 0.453 324 H N -0.471 118.671 119.070 0.119 0.000 2.436 324 H HA -0.012 4.546 4.556 0.003 0.000 0.294 324 H C 2.279 177.602 175.328 -0.008 0.000 1.048 324 H CA 1.136 57.213 56.048 0.048 0.000 1.353 324 H CB -0.087 29.681 29.762 0.011 0.000 1.414 324 H HN 0.286 nan 8.280 nan 0.000 0.536 325 N N -0.024 118.744 118.700 0.114 0.000 2.060 325 N HA -0.152 4.591 4.740 0.004 0.000 0.195 325 N C 1.705 177.175 175.510 -0.067 0.000 1.028 325 N CA 2.034 55.069 53.050 -0.024 0.000 0.861 325 N CB -0.547 37.898 38.487 -0.069 0.000 1.029 325 N HN 0.390 nan 8.380 nan 0.000 0.428 326 T N 0.654 115.250 114.554 0.069 0.000 2.684 326 T HA -0.196 4.157 4.350 0.004 0.000 0.267 326 T C 1.841 176.396 174.700 -0.241 0.000 1.036 326 T CA 1.328 63.458 62.100 0.050 0.000 1.148 326 T CB -0.287 68.755 68.868 0.290 0.000 0.863 326 T HN 0.376 nan 8.240 nan 0.000 0.436 327 Q N 0.630 120.205 119.800 -0.375 0.000 1.967 327 Q HA -0.098 4.244 4.340 0.004 0.000 0.202 327 Q C 2.358 178.064 176.000 -0.490 0.000 0.985 327 Q CA 1.351 56.623 55.803 -0.884 0.000 0.839 327 Q CB -0.430 28.030 28.738 -0.463 0.000 0.906 327 Q HN 0.440 nan 8.270 nan 0.000 0.423 328 L N 0.530 121.608 121.223 -0.242 0.000 2.026 328 L HA -0.350 3.992 4.340 0.004 0.000 0.231 328 L C 2.507 179.259 176.870 -0.196 0.000 1.095 328 L CA 2.006 56.739 54.840 -0.177 0.000 0.810 328 L CB -0.542 41.435 42.059 -0.136 0.000 0.909 328 L HN 0.406 nan 8.230 nan 0.000 0.444 329 L N -1.596 119.481 121.223 -0.244 0.000 1.997 329 L HA -0.314 4.028 4.340 0.004 0.000 0.216 329 L C 2.393 179.230 176.870 -0.055 0.000 1.074 329 L CA 1.756 56.445 54.840 -0.251 0.000 0.763 329 L CB -0.671 41.144 42.059 -0.407 0.000 0.890 329 L HN 0.192 nan 8.230 nan 0.000 0.434 330 V N -0.155 119.673 119.914 -0.143 0.000 2.332 330 V HA -0.314 3.808 4.120 0.004 0.000 0.248 330 V C 2.048 178.098 176.094 -0.073 0.000 1.055 330 V CA 2.221 64.470 62.300 -0.086 0.000 1.038 330 V CB -0.803 30.894 31.823 -0.210 0.000 0.651 330 V HN 0.518 nan 8.190 nan 0.000 0.450 331 N N -0.181 118.428 118.700 -0.151 0.000 2.573 331 N HA -0.088 4.655 4.740 0.004 0.000 0.187 331 N C 1.109 176.591 175.510 -0.047 0.000 1.107 331 N CA 0.890 53.884 53.050 -0.094 0.000 0.918 331 N CB -0.001 38.416 38.487 -0.117 0.000 0.966 331 N HN 0.392 nan 8.380 nan 0.000 0.448 332 S N -1.441 114.257 115.700 -0.002 0.000 2.651 332 S HA 0.426 4.898 4.470 0.004 0.000 0.246 332 S C 0.974 175.619 174.600 0.075 0.000 1.039 332 S CA -0.018 58.204 58.200 0.038 0.000 1.013 332 S CB 0.650 63.885 63.200 0.058 0.000 0.861 332 S HN 0.536 nan 8.310 nan 0.000 0.485 333 G N 1.374 110.189 108.800 0.025 0.000 2.308 333 G HA2 -0.248 3.714 3.960 0.004 0.000 0.221 333 G HA3 -0.248 3.714 3.960 0.004 0.000 0.221 333 G C 0.033 174.891 174.900 -0.069 0.000 1.032 333 G CA -0.610 44.447 45.100 -0.071 0.000 0.623 333 G HN 0.440 nan 8.290 nan 0.000 0.506 334 F N 1.945 121.860 119.950 -0.058 0.000 2.490 334 F HA 0.443 4.973 4.527 0.004 0.000 0.336 334 F C 1.710 177.509 175.800 -0.001 0.000 1.178 334 F CA 1.486 59.464 58.000 -0.037 0.000 1.301 334 F CB 0.191 39.134 39.000 -0.096 0.000 1.175 334 F HN 1.160 nan 8.300 nan 0.000 0.593 335 G N 1.545 110.476 108.800 0.219 0.000 2.682 335 G HA2 -0.292 3.670 3.960 0.004 0.000 0.256 335 G HA3 -0.292 3.670 3.960 0.004 0.000 0.256 335 G C -0.704 174.270 174.900 0.122 0.000 1.333 335 G CA -0.461 44.741 45.100 0.170 0.000 0.904 335 G HN 0.811 nan 8.290 nan 0.000 0.569 336 Q N -1.321 118.552 119.800 0.122 0.000 2.230 336 Q HA 0.631 4.974 4.340 0.004 0.000 0.248 336 Q C -0.211 175.869 176.000 0.132 0.000 0.915 336 Q CA -0.936 54.923 55.803 0.094 0.000 0.900 336 Q CB 1.274 30.046 28.738 0.057 0.000 1.229 336 Q HN 0.607 nan 8.270 nan 0.000 0.439 337 L N 2.339 123.626 121.223 0.106 0.000 2.357 337 L HA 0.677 5.019 4.340 0.004 0.000 0.273 337 L C 0.132 177.079 176.870 0.129 0.000 1.080 337 L CA 1.420 56.349 54.840 0.147 0.000 0.803 337 L CB 1.199 43.321 42.059 0.106 0.000 1.174 337 L HN 0.806 nan 8.230 nan 0.000 0.443 338 G N 3.279 112.213 108.800 0.222 0.000 2.757 338 G HA2 -0.222 3.741 3.960 0.004 0.000 0.638 338 G HA3 -0.222 3.741 3.960 0.004 0.000 0.638 338 G C -0.450 174.336 174.900 -0.190 0.000 1.344 338 G CA -0.239 44.951 45.100 0.149 0.000 0.855 338 G HN 0.932 nan 8.290 nan 0.000 0.537 339 R N 1.147 121.300 120.500 -0.578 0.000 2.481 339 R HA 0.194 4.537 4.340 0.004 0.000 0.291 339 R C -1.288 174.591 176.300 -0.702 0.000 0.934 339 R CA 0.286 55.658 56.100 -1.214 0.000 1.116 339 R CB 0.104 30.026 30.300 -0.630 0.000 0.895 339 R HN 0.511 nan 8.270 nan 0.000 0.410 340 P HA 0.136 nan 4.420 nan 0.000 0.276 340 P C -1.266 175.882 177.300 -0.253 0.000 1.252 340 P CA -0.393 62.483 63.100 -0.373 0.000 0.802 340 P CB 0.811 32.310 31.700 -0.335 0.000 1.035 341 N N 1.140 119.752 118.700 -0.146 0.000 2.827 341 N HA 0.154 4.896 4.740 0.004 0.000 0.240 341 N C -2.128 173.344 175.510 -0.063 0.000 1.352 341 N CA -1.788 51.199 53.050 -0.105 0.000 0.760 341 N CB 0.631 39.061 38.487 -0.095 0.000 1.426 341 N HN 0.079 nan 8.380 nan 0.000 0.561 342 P HA -0.067 nan 4.420 nan 0.000 0.225 342 P C 1.049 178.336 177.300 -0.023 0.000 1.148 342 P CA 0.619 63.699 63.100 -0.033 0.000 0.779 342 P CB 0.415 32.096 31.700 -0.032 0.000 0.780 343 A N 1.568 124.371 122.820 -0.028 0.000 1.836 343 A HA -0.197 4.125 4.320 0.004 0.000 0.215 343 A C 1.425 178.999 177.584 -0.017 0.000 1.214 343 A CA 1.959 53.983 52.037 -0.021 0.000 0.636 343 A CB -1.801 17.184 19.000 -0.025 0.000 0.847 343 A HN 0.367 nan 8.150 nan 0.000 0.451 344 N N 0.993 119.681 118.700 -0.021 0.000 2.469 344 N HA 0.359 5.101 4.740 0.004 0.000 0.239 344 N C -2.959 172.544 175.510 -0.012 0.000 1.053 344 N CA -2.118 50.923 53.050 -0.015 0.000 0.937 344 N CB 0.943 39.419 38.487 -0.017 0.000 1.163 344 N HN 0.174 nan 8.380 nan 0.000 0.509 345 P HA 0.479 nan 4.420 nan 0.000 0.290 345 P C -2.813 174.498 177.300 0.019 0.000 1.283 345 P CA -1.600 61.506 63.100 0.010 0.000 0.869 345 P CB 0.922 32.632 31.700 0.016 0.000 1.100 346 P HA 0.343 nan 4.420 nan 0.000 0.284 346 P C 0.440 177.764 177.300 0.040 0.000 1.258 346 P CA -0.289 62.833 63.100 0.037 0.000 0.824 346 P CB 1.659 33.394 31.700 0.058 0.000 1.038 347 E N 0.119 120.335 120.200 0.026 0.000 2.230 347 E HA 0.081 4.434 4.350 0.004 0.000 0.192 347 E C 0.363 176.988 176.600 0.042 0.000 0.987 347 E CA 0.339 56.753 56.400 0.024 0.000 0.841 347 E CB 0.164 29.865 29.700 0.002 0.000 0.783 347 E HN 0.394 nan 8.360 nan 0.000 0.481 348 L N 1.300 122.549 121.223 0.044 0.000 2.334 348 L HA 0.240 4.582 4.340 0.004 0.000 0.275 348 L C 0.206 177.181 176.870 0.174 0.000 1.036 348 L CA -0.651 54.239 54.840 0.085 0.000 0.807 348 L CB 1.252 43.277 42.059 -0.057 0.000 1.231 348 L HN 0.136 nan 8.230 nan 0.000 0.438 349 L N 4.012 125.389 121.223 0.257 0.000 3.998 349 L HA -0.250 4.093 4.340 0.004 0.000 0.507 349 L C -1.549 175.447 176.870 0.210 0.000 1.074 349 L CA -0.603 54.397 54.840 0.267 0.000 0.697 349 L CB -0.803 41.448 42.059 0.320 0.000 1.183 349 L HN 0.565 nan 8.230 nan 0.000 0.745 350 P HA -0.163 nan 4.420 nan 0.000 0.216 350 P C 1.499 178.909 177.300 0.184 0.000 1.150 350 P CA 1.385 64.576 63.100 0.151 0.000 0.843 350 P CB 0.249 32.026 31.700 0.129 0.000 0.787 351 S N -1.180 114.654 115.700 0.222 0.000 2.496 351 S HA 0.019 4.492 4.470 0.004 0.000 0.224 351 S C 0.829 175.602 174.600 0.288 0.000 0.996 351 S CA -0.297 58.080 58.200 0.296 0.000 0.927 351 S CB -0.852 62.529 63.200 0.301 0.000 0.774 351 S HN 0.035 nan 8.310 nan 0.000 0.524 352 L N 2.414 123.781 121.223 0.239 0.000 2.628 352 L HA 0.183 4.525 4.340 0.004 0.000 0.292 352 L C 1.230 178.240 176.870 0.232 0.000 1.250 352 L CA 1.244 56.218 54.840 0.225 0.000 0.892 352 L CB -0.593 41.581 42.059 0.193 0.000 1.138 352 L HN 0.392 nan 8.230 nan 0.000 0.502 353 G N 2.621 111.565 108.800 0.240 0.000 2.187 353 G HA2 -0.275 3.687 3.960 0.004 0.000 0.261 353 G HA3 -0.275 3.687 3.960 0.004 0.000 0.261 353 G C 0.345 175.367 174.900 0.203 0.000 1.000 353 G CA 0.531 45.771 45.100 0.232 0.000 0.718 353 G HN 0.920 nan 8.290 nan 0.000 0.519 354 S N -1.696 114.136 115.700 0.220 0.000 2.634 354 S HA 0.652 5.124 4.470 0.004 0.000 0.296 354 S C 0.126 174.895 174.600 0.282 0.000 1.104 354 S CA -0.117 58.162 58.200 0.131 0.000 0.920 354 S CB 1.224 64.422 63.200 -0.003 0.000 1.111 354 S HN 0.943 nan 8.310 nan 0.000 0.493 355 Y N -0.690 119.695 120.300 0.142 0.000 3.929 355 Y HA -0.200 4.353 4.550 0.004 0.000 0.225 355 Y C 0.442 176.439 175.900 0.162 0.000 1.200 355 Y CA 0.164 58.349 58.100 0.142 0.000 1.791 355 Y CB -2.139 36.396 38.460 0.125 0.000 1.561 355 Y HN 0.651 nan 8.280 nan 0.000 0.657 356 I N 0.230 120.962 120.570 0.269 0.000 2.634 356 I HA 0.491 4.664 4.170 0.004 0.000 0.284 356 I C 0.627 176.891 176.117 0.246 0.000 1.124 356 I CA 0.478 61.914 61.300 0.227 0.000 1.417 356 I CB 1.381 39.495 38.000 0.190 0.000 1.396 356 I HN 0.246 nan 8.210 nan 0.000 0.571 357 T N 2.164 116.812 114.554 0.157 0.000 2.876 357 T HA 0.689 5.042 4.350 0.004 0.000 0.289 357 T C -0.638 174.031 174.700 -0.050 0.000 1.014 357 T CA -0.669 61.505 62.100 0.124 0.000 0.986 357 T CB 2.116 71.031 68.868 0.078 0.000 1.021 357 T HN 0.827 nan 8.240 nan 0.000 0.458 358 E N 0.858 121.002 120.200 -0.094 0.000 2.383 358 E HA 0.410 4.762 4.350 0.004 0.000 0.275 358 E C -1.218 175.477 176.600 0.158 0.000 0.918 358 E CA -0.620 55.714 56.400 -0.109 0.000 0.764 358 E CB 2.144 31.586 29.700 -0.429 0.000 1.252 358 E HN 0.740 nan 8.360 nan 0.000 0.449 359 Q N 0.624 120.543 119.800 0.199 0.000 2.230 359 Q HA 0.537 4.880 4.340 0.004 0.000 0.248 359 Q C -0.592 175.630 176.000 0.370 0.000 0.915 359 Q CA -0.681 55.299 55.803 0.295 0.000 0.900 359 Q CB 1.585 30.528 28.738 0.342 0.000 1.229 359 Q HN 0.395 nan 8.270 nan 0.000 0.439 360 S N 1.489 117.348 115.700 0.266 0.000 2.548 360 S HA 0.336 4.808 4.470 0.004 0.000 0.277 360 S C -0.851 173.790 174.600 0.068 0.000 1.315 360 S CA -0.460 57.802 58.200 0.103 0.000 1.050 360 S CB 0.326 63.441 63.200 -0.140 0.000 0.918 360 S HN 0.354 nan 8.310 nan 0.000 0.497 361 L N 5.699 126.919 121.223 -0.006 0.000 2.372 361 L HA 0.634 4.976 4.340 0.004 0.000 0.274 361 L C -0.563 176.110 176.870 -0.328 0.000 0.988 361 L CA -0.633 54.080 54.840 -0.213 0.000 0.833 361 L CB 1.389 43.315 42.059 -0.222 0.000 1.236 361 L HN 0.465 nan 8.230 nan 0.000 0.410 362 V N 2.443 122.070 119.914 -0.479 0.000 2.713 362 V HA 0.748 4.870 4.120 0.004 0.000 0.307 362 V C -0.799 175.144 176.094 -0.252 0.000 1.052 362 V CA -0.529 61.439 62.300 -0.554 0.000 0.967 362 V CB 1.622 32.928 31.823 -0.861 0.000 1.019 362 V HN 0.798 nan 8.190 nan 0.000 0.459 363 F N 4.091 123.833 119.950 -0.347 0.000 2.631 363 F HA 0.857 5.383 4.527 -0.002 0.000 0.308 363 F C -0.596 175.085 175.800 -0.197 0.000 1.097 363 F CA -0.068 57.813 58.000 -0.198 0.000 0.952 363 F CB 1.464 40.375 39.000 -0.148 0.000 1.307 363 F HN 1.324 nan 8.300 nan 0.000 0.450 364 C N 2.526 120.969 119.300 -1.429 0.000 3.068 364 C HA 0.645 5.107 4.460 0.004 0.000 0.344 364 C C -2.155 172.418 174.990 -0.696 0.000 1.223 364 C CA -0.802 57.552 59.018 -1.106 0.000 1.153 364 C CB 1.209 28.536 27.740 -0.688 0.000 1.396 364 C HN 1.102 nan 8.230 nan 0.000 0.485 365 Q N 0.999 120.589 119.800 -0.350 0.000 2.377 365 Q HA 0.791 5.133 4.340 0.004 0.000 0.271 365 Q C -0.250 175.831 176.000 0.134 0.000 1.077 365 Q CA -0.233 55.574 55.803 0.007 0.000 0.820 365 Q CB 2.701 31.450 28.738 0.018 0.000 1.347 365 Q HN 0.949 nan 8.270 nan 0.000 0.444 366 T N -2.521 112.185 114.554 0.255 0.000 2.940 366 T HA 0.646 4.998 4.350 0.004 0.000 0.288 366 T C -0.445 174.340 174.700 0.141 0.000 1.033 366 T CA -0.736 61.478 62.100 0.189 0.000 1.033 366 T CB 1.149 70.174 68.868 0.261 0.000 1.079 366 T HN 0.258 nan 8.240 nan 0.000 0.496 367 V N 3.497 123.460 119.914 0.082 0.000 2.311 367 V HA 0.314 4.437 4.120 0.004 0.000 0.275 367 V C 0.472 176.594 176.094 0.046 0.000 1.022 367 V CA -0.857 61.478 62.300 0.058 0.000 0.830 367 V CB 0.555 32.400 31.823 0.037 0.000 1.012 367 V HN 1.025 nan 8.190 nan 0.000 0.452 368 M N 5.051 124.687 119.600 0.060 0.000 2.209 368 M HA -0.058 4.424 4.480 0.004 0.000 0.361 368 M C 0.959 177.275 176.300 0.028 0.000 1.211 368 M CA 0.903 56.236 55.300 0.054 0.000 0.899 368 M CB 0.370 32.997 32.600 0.045 0.000 1.817 368 M HN 0.928 nan 8.290 nan 0.000 0.476 369 S N 2.554 118.267 115.700 0.022 0.000 2.589 369 S HA 0.132 4.604 4.470 0.004 0.000 0.265 369 S C 1.062 175.667 174.600 0.009 0.000 1.342 369 S CA -0.109 58.092 58.200 0.003 0.000 1.005 369 S CB 0.815 64.011 63.200 -0.007 0.000 0.909 369 S HN 0.784 nan 8.310 nan 0.000 0.555 370 T N 1.101 115.656 114.554 0.002 0.000 2.746 370 T HA -0.151 4.202 4.350 0.004 0.000 0.267 370 T C 1.772 176.480 174.700 0.013 0.000 1.039 370 T CA 1.788 63.892 62.100 0.007 0.000 1.142 370 T CB -0.641 68.228 68.868 0.002 0.000 0.866 370 T HN 0.896 nan 8.240 nan 0.000 0.444 371 E N 0.784 120.989 120.200 0.008 0.000 2.058 371 E HA -0.161 4.192 4.350 0.004 0.000 0.194 371 E C 2.232 178.849 176.600 0.029 0.000 0.997 371 E CA 1.165 57.572 56.400 0.013 0.000 0.801 371 E CB -0.413 29.287 29.700 0.001 0.000 0.746 371 E HN 0.440 nan 8.360 nan 0.000 0.450 372 L N 0.342 121.585 121.223 0.032 0.000 2.093 372 L HA -0.144 4.198 4.340 0.004 0.000 0.208 372 L C 2.619 179.527 176.870 0.065 0.000 1.085 372 L CA 0.427 55.300 54.840 0.054 0.000 0.755 372 L CB -0.195 41.896 42.059 0.054 0.000 0.904 372 L HN 0.335 nan 8.230 nan 0.000 0.435 373 I N -0.198 120.397 120.570 0.042 0.000 2.286 373 I HA -0.237 3.936 4.170 0.004 0.000 0.245 373 I C 2.105 178.248 176.117 0.043 0.000 1.104 373 I CA 1.318 62.636 61.300 0.031 0.000 1.397 373 I CB -0.951 37.057 38.000 0.014 0.000 1.072 373 I HN 0.254 nan 8.210 nan 0.000 0.417 374 D N 0.657 121.083 120.400 0.044 0.000 2.149 374 D HA -0.157 4.485 4.640 0.004 0.000 0.198 374 D C 2.349 178.697 176.300 0.080 0.000 0.990 374 D CA 1.720 55.751 54.000 0.052 0.000 0.839 374 D CB -0.159 40.664 40.800 0.040 0.000 0.948 374 D HN 0.354 nan 8.370 nan 0.000 0.460 375 S N 0.158 115.916 115.700 0.097 0.000 2.400 375 S HA -0.137 4.335 4.470 0.004 0.000 0.232 375 S C 2.203 176.964 174.600 0.269 0.000 1.025 375 S CA 0.954 59.245 58.200 0.151 0.000 0.993 375 S CB -0.634 62.641 63.200 0.125 0.000 0.808 375 S HN 0.101 nan 8.310 nan 0.000 0.478 376 V N 3.024 123.071 119.914 0.222 0.000 2.392 376 V HA -0.154 3.968 4.120 0.004 0.000 0.249 376 V C 2.148 178.338 176.094 0.160 0.000 1.059 376 V CA 2.142 64.596 62.300 0.256 0.000 1.051 376 V CB -0.825 31.019 31.823 0.036 0.000 0.658 376 V HN 0.839 nan 8.190 nan 0.000 0.455 377 K N 0.213 120.678 120.400 0.108 0.000 2.593 377 K HA 0.195 4.517 4.320 0.004 0.000 0.208 377 K C 1.398 178.056 176.600 0.098 0.000 1.051 377 K CA 0.647 56.982 56.287 0.081 0.000 1.111 377 K CB 0.301 32.835 32.500 0.056 0.000 0.849 377 K HN 0.380 nan 8.250 nan 0.000 0.479 378 S N 0.185 115.974 115.700 0.148 0.000 2.481 378 S HA -0.099 4.373 4.470 0.004 0.000 0.231 378 S C 0.863 175.511 174.600 0.081 0.000 0.996 378 S CA 0.809 59.075 58.200 0.109 0.000 0.942 378 S CB -0.131 63.132 63.200 0.105 0.000 0.768 378 S HN 0.301 nan 8.310 nan 0.000 0.520 379 D N 1.024 121.486 120.400 0.103 0.000 2.340 379 D HA 0.192 4.834 4.640 0.004 0.000 0.220 379 D C 0.224 176.579 176.300 0.090 0.000 1.039 379 D CA 0.349 54.395 54.000 0.077 0.000 0.866 379 D CB 0.068 40.909 40.800 0.070 0.000 0.913 379 D HN 0.434 nan 8.370 nan 0.000 0.523 380 M N 0.549 120.198 119.600 0.081 0.000 2.233 380 M HA 0.208 4.691 4.480 0.004 0.000 0.355 380 M C 0.264 176.598 176.300 0.057 0.000 1.191 380 M CA -0.027 55.326 55.300 0.087 0.000 1.101 380 M CB 1.281 33.922 32.600 0.070 0.000 1.592 380 M HN -0.347 nan 8.290 nan 0.000 0.461 381 T N 4.389 118.971 114.554 0.047 0.000 2.771 381 T HA 0.597 4.949 4.350 0.004 0.000 0.291 381 T C 0.147 174.837 174.700 -0.018 0.000 0.954 381 T CA -0.257 61.852 62.100 0.015 0.000 1.045 381 T CB 0.379 69.251 68.868 0.007 0.000 0.917 381 T HN 0.435 nan 8.240 nan 0.000 0.484 382 I N 4.022 124.584 120.570 -0.014 0.000 2.389 382 I HA 0.450 4.622 4.170 0.004 0.000 0.288 382 I C 0.526 176.632 176.117 -0.017 0.000 0.999 382 I CA -0.723 60.553 61.300 -0.040 0.000 1.129 382 I CB 1.349 39.364 38.000 0.025 0.000 1.288 382 I HN 0.367 nan 8.210 nan 0.000 0.444 383 R N 3.191 123.660 120.500 -0.052 0.000 2.875 383 R HA 0.764 5.106 4.340 0.004 0.000 0.251 383 R C 0.364 176.712 176.300 0.081 0.000 1.123 383 R CA -0.406 55.698 56.100 0.006 0.000 1.064 383 R CB 1.555 31.848 30.300 -0.011 0.000 1.205 383 R HN 0.803 nan 8.270 nan 0.000 0.503 384 G N 0.361 109.228 108.800 0.112 0.000 2.668 384 G HA2 -0.300 3.662 3.960 0.004 0.000 0.266 384 G HA3 -0.300 3.662 3.960 0.004 0.000 0.266 384 G C -0.441 174.613 174.900 0.258 0.000 1.328 384 G CA 0.186 45.393 45.100 0.178 0.000 0.911 384 G HN 0.784 nan 8.290 nan 0.000 0.567 385 T N -1.649 113.026 114.554 0.203 0.000 2.893 385 T HA 0.694 5.047 4.350 0.004 0.000 0.293 385 T C -2.830 171.693 174.700 -0.295 0.000 1.027 385 T CA -1.114 61.010 62.100 0.040 0.000 0.988 385 T CB 2.571 71.438 68.868 -0.002 0.000 1.043 385 T HN 0.564 nan 8.240 nan 0.000 0.461 386 P HA 0.202 nan 4.420 nan 0.000 0.266 386 P C 1.245 178.226 177.300 -0.531 0.000 1.180 386 P CA 1.687 64.093 63.100 -1.157 0.000 0.765 386 P CB -0.008 31.315 31.700 -0.628 0.000 0.806 387 G N 0.466 109.015 108.800 -0.417 0.000 2.189 387 G HA2 -0.261 3.702 3.960 0.004 0.000 0.267 387 G HA3 -0.261 3.702 3.960 0.004 0.000 0.267 387 G C 0.139 174.990 174.900 -0.082 0.000 0.975 387 G CA 0.161 45.162 45.100 -0.166 0.000 0.644 387 G HN 0.529 nan 8.290 nan 0.000 0.537 388 E N -0.757 119.407 120.200 -0.061 0.000 2.250 388 E HA 0.676 5.028 4.350 0.004 0.000 0.269 388 E C 1.796 178.437 176.600 0.068 0.000 1.018 388 E CA -0.639 55.771 56.400 0.016 0.000 0.873 388 E CB 0.767 30.488 29.700 0.034 0.000 1.134 388 E HN 0.099 nan 8.360 nan 0.000 0.403 389 L N 0.591 121.844 121.223 0.050 0.000 2.131 389 L HA -0.144 4.198 4.340 0.004 0.000 0.210 389 L C 1.723 178.633 176.870 0.067 0.000 1.092 389 L CA 1.626 56.496 54.840 0.051 0.000 0.759 389 L CB -0.675 41.402 42.059 0.030 0.000 0.903 389 L HN 0.597 nan 8.230 nan 0.000 0.435 390 T N -4.326 110.273 114.554 0.075 0.000 3.129 390 T HA -0.075 4.277 4.350 0.004 0.000 0.251 390 T C 0.561 175.333 174.700 0.120 0.000 1.117 390 T CA -0.297 61.849 62.100 0.076 0.000 1.034 390 T CB -0.476 68.426 68.868 0.057 0.000 0.968 390 T HN 0.087 nan 8.240 nan 0.000 0.526 391 Y N 3.262 123.565 120.300 0.005 0.000 2.745 391 Y HA 0.340 4.892 4.550 0.004 0.000 0.335 391 Y C 0.336 176.242 175.900 0.010 0.000 1.212 391 Y CA -0.709 57.396 58.100 0.008 0.000 1.535 391 Y CB -0.104 38.360 38.460 0.006 0.000 1.220 391 Y HN 0.146 nan 8.280 nan 0.000 0.531 392 S N 5.084 120.580 115.700 -0.341 0.000 2.482 392 S HA 0.779 5.251 4.470 0.004 0.000 0.303 392 S C -1.546 172.746 174.600 -0.515 0.000 1.091 392 S CA -0.696 57.288 58.200 -0.360 0.000 1.057 392 S CB 0.749 63.858 63.200 -0.152 0.000 1.031 392 S HN 0.450 nan 8.310 nan 0.000 0.485 393 V N 4.580 124.266 119.914 -0.380 0.000 2.443 393 V HA 0.652 4.774 4.120 0.004 0.000 0.293 393 V C -0.204 175.856 176.094 -0.058 0.000 1.021 393 V CA -0.650 61.526 62.300 -0.207 0.000 0.848 393 V CB 1.354 33.079 31.823 -0.164 0.000 0.998 393 V HN 1.022 nan 8.190 nan 0.000 0.424 394 T N 1.749 116.301 114.554 -0.004 0.000 2.903 394 T HA 0.858 5.211 4.350 0.004 0.000 0.299 394 T C -0.996 173.784 174.700 0.134 0.000 1.093 394 T CA -0.774 61.344 62.100 0.030 0.000 1.002 394 T CB 2.221 71.068 68.868 -0.034 0.000 1.127 394 T HN 0.765 nan 8.240 nan 0.000 0.488 395 Y N -1.589 118.708 120.300 -0.006 0.000 2.638 395 Y HA 0.814 5.367 4.550 0.004 0.000 0.339 395 Y C -0.828 175.073 175.900 0.001 0.000 1.084 395 Y CA -1.348 56.754 58.100 0.003 0.000 1.068 395 Y CB 0.965 39.435 38.460 0.018 0.000 1.294 395 Y HN 0.597 nan 8.280 nan 0.000 0.480 396 T N 4.113 118.678 114.554 0.018 0.000 2.770 396 T HA 0.409 4.762 4.350 0.004 0.000 0.297 396 T C -2.751 171.948 174.700 -0.001 0.000 0.997 396 T CA -1.341 60.706 62.100 -0.089 0.000 0.949 396 T CB 0.774 69.629 68.868 -0.021 0.000 0.941 396 T HN 0.381 nan 8.240 nan 0.000 0.457 397 P HA 0.170 nan 4.420 nan 0.000 0.266 397 P C 1.093 178.433 177.300 0.067 0.000 1.193 397 P CA 0.667 63.808 63.100 0.068 0.000 0.770 397 P CB 0.309 32.002 31.700 -0.012 0.000 0.836 398 G N 1.473 110.331 108.800 0.096 0.000 2.187 398 G HA2 -0.220 3.743 3.960 0.004 0.000 0.261 398 G HA3 -0.220 3.743 3.960 0.004 0.000 0.261 398 G C 0.422 175.339 174.900 0.028 0.000 1.000 398 G CA 0.120 45.251 45.100 0.051 0.000 0.718 398 G HN 0.855 nan 8.290 nan 0.000 0.519 399 A N 0.482 123.322 122.820 0.034 0.000 2.347 399 A HA 0.692 5.014 4.320 0.004 0.000 0.287 399 A C 1.727 179.308 177.584 -0.005 0.000 1.199 399 A CA 1.016 53.061 52.037 0.013 0.000 0.851 399 A CB 0.273 19.285 19.000 0.019 0.000 1.118 399 A HN 1.566 nan 8.150 nan 0.000 0.525 400 S N 2.215 117.908 115.700 -0.012 0.000 2.413 400 S HA -0.251 4.221 4.470 0.004 0.000 0.237 400 S C 1.453 176.030 174.600 -0.039 0.000 1.044 400 S CA 2.155 60.341 58.200 -0.025 0.000 1.024 400 S CB -1.034 62.153 63.200 -0.021 0.000 0.829 400 S HN 1.242 nan 8.310 nan 0.000 0.475 401 T N -1.044 113.490 114.554 -0.033 0.000 3.219 401 T HA 0.240 4.592 4.350 0.004 0.000 0.249 401 T C 0.320 174.984 174.700 -0.060 0.000 1.099 401 T CA -0.573 61.499 62.100 -0.046 0.000 0.988 401 T CB -0.498 68.350 68.868 -0.034 0.000 0.999 401 T HN 0.165 nan 8.240 nan 0.000 0.550 402 N N 1.960 120.625 118.700 -0.058 0.000 2.444 402 N HA 0.246 4.989 4.740 0.004 0.000 0.255 402 N C 0.955 176.355 175.510 -0.183 0.000 1.255 402 N CA -0.375 52.624 53.050 -0.084 0.000 0.933 402 N CB 0.803 39.259 38.487 -0.051 0.000 1.143 402 N HN 0.097 nan 8.380 nan 0.000 0.453 403 K N 0.400 120.618 120.400 -0.304 0.000 2.360 403 K HA 0.136 4.458 4.320 0.004 0.000 0.196 403 K C -0.200 175.879 176.600 -0.868 0.000 1.049 403 K CA 0.393 56.347 56.287 -0.554 0.000 1.049 403 K CB 0.359 32.453 32.500 -0.676 0.000 0.881 403 K HN 0.558 nan 8.250 nan 0.000 0.542 404 H N 0.439 119.205 119.070 -0.507 0.000 2.747 404 H HA 0.344 4.902 4.556 0.004 0.000 0.371 404 H C -2.455 172.558 175.328 -0.525 0.000 1.161 404 H CA -2.195 53.387 56.048 -0.777 0.000 1.167 404 H CB 1.559 30.468 29.762 -1.422 0.000 1.732 404 H HN -0.219 nan 8.280 nan 0.000 0.544 405 P HA -0.046 nan 4.420 nan 0.000 0.269 405 P C 0.519 177.673 177.300 -0.243 0.000 1.217 405 P CA -0.047 62.879 63.100 -0.290 0.000 0.783 405 P CB 0.974 32.441 31.700 -0.387 0.000 0.898 406 D N 0.382 120.758 120.400 -0.039 0.000 2.123 406 D HA -0.157 4.486 4.640 0.004 0.000 0.196 406 D C 1.816 178.181 176.300 0.108 0.000 0.992 406 D CA 1.238 55.292 54.000 0.091 0.000 0.833 406 D CB -0.537 40.386 40.800 0.204 0.000 0.954 406 D HN 0.613 nan 8.370 nan 0.000 0.455 407 W N 0.347 121.710 121.300 0.105 0.000 2.350 407 W HA -0.154 4.507 4.660 0.003 0.000 0.289 407 W C 1.861 178.452 176.519 0.119 0.000 1.215 407 W CA 0.361 57.769 57.345 0.105 0.000 1.236 407 W CB -1.267 28.253 29.460 0.099 0.000 1.130 407 W HN 0.108 nan 8.180 nan 0.000 0.541 408 W N 3.566 124.507 121.300 -0.599 0.000 2.443 408 W HA -0.080 4.583 4.660 0.004 0.000 0.296 408 W C 1.818 178.079 176.519 -0.430 0.000 1.202 408 W CA 1.364 58.293 57.345 -0.693 0.000 1.312 408 W CB -1.169 27.603 29.460 -1.147 0.000 1.120 408 W HN -0.156 nan 8.180 nan 0.000 0.536 409 N N 1.247 119.882 118.700 -0.109 0.000 2.120 409 N HA -0.219 4.523 4.740 0.004 0.000 0.188 409 N C 1.538 176.746 175.510 -0.504 0.000 1.024 409 N CA 2.142 54.909 53.050 -0.471 0.000 0.852 409 N CB -0.735 37.079 38.487 -1.120 0.000 1.003 409 N HN 0.255 nan 8.380 nan 0.000 0.424 410 E N 1.382 121.425 120.200 -0.261 0.000 2.118 410 E HA -0.109 4.243 4.350 0.004 0.000 0.195 410 E C 1.666 178.329 176.600 0.106 0.000 0.992 410 E CA 1.321 57.793 56.400 0.121 0.000 0.804 410 E CB 0.091 29.952 29.700 0.269 0.000 0.741 410 E HN 0.278 nan 8.360 nan 0.000 0.458 411 K N -0.400 120.047 120.400 0.077 0.000 1.973 411 K HA -0.121 4.201 4.320 0.004 0.000 0.212 411 K C 2.134 178.736 176.600 0.003 0.000 1.047 411 K CA 1.599 57.919 56.287 0.055 0.000 0.937 411 K CB -0.429 32.101 32.500 0.050 0.000 0.721 411 K HN -0.004 nan 8.250 nan 0.000 0.440 412 V N 2.395 122.249 119.914 -0.100 0.000 2.222 412 V HA -0.396 3.727 4.120 0.004 0.000 0.252 412 V C 2.459 178.584 176.094 0.051 0.000 1.060 412 V CA 2.426 64.682 62.300 -0.073 0.000 1.027 412 V CB -0.730 31.033 31.823 -0.100 0.000 0.644 412 V HN 0.457 nan 8.190 nan 0.000 0.448 413 K N 0.208 120.639 120.400 0.052 0.000 2.034 413 K HA -0.306 4.016 4.320 0.004 0.000 0.214 413 K C 1.962 178.634 176.600 0.119 0.000 1.051 413 K CA 2.452 58.810 56.287 0.119 0.000 0.931 413 K CB -0.396 32.251 32.500 0.246 0.000 0.715 413 K HN 0.498 nan 8.250 nan 0.000 0.446 414 N N 0.315 119.095 118.700 0.134 0.000 2.120 414 N HA -0.192 4.551 4.740 0.004 0.000 0.188 414 N C 1.795 177.389 175.510 0.140 0.000 1.024 414 N CA 1.744 54.870 53.050 0.126 0.000 0.852 414 N CB -0.724 37.843 38.487 0.133 0.000 1.003 414 N HN 0.538 nan 8.380 nan 0.000 0.424 415 H N 0.268 119.383 119.070 0.076 0.000 2.387 415 H HA 0.100 4.658 4.556 0.004 0.000 0.299 415 H C 1.865 177.261 175.328 0.113 0.000 1.090 415 H CA 1.528 57.636 56.048 0.100 0.000 1.332 415 H CB -0.036 29.700 29.762 -0.044 0.000 1.386 415 H HN 0.122 nan 8.280 nan 0.000 0.516 416 M N -0.635 118.977 119.600 0.019 0.000 2.319 416 M HA -0.084 4.398 4.480 0.004 0.000 0.265 416 M C 1.432 177.783 176.300 0.085 0.000 1.068 416 M CA 0.861 56.174 55.300 0.022 0.000 1.118 416 M CB 0.114 32.788 32.600 0.124 0.000 1.395 416 M HN 0.386 nan 8.290 nan 0.000 0.435 417 M N -0.515 119.123 119.600 0.062 0.000 2.357 417 M HA -0.025 4.457 4.480 0.004 0.000 0.266 417 M C 1.721 178.035 176.300 0.024 0.000 1.095 417 M CA 1.487 56.833 55.300 0.077 0.000 1.156 417 M CB -0.827 31.799 32.600 0.044 0.000 1.365 417 M HN 0.239 nan 8.290 nan 0.000 0.447 418 Q N -0.742 119.036 119.800 -0.037 0.000 2.432 418 Q HA -0.006 4.336 4.340 0.004 0.000 0.205 418 Q C -0.052 175.696 176.000 -0.421 0.000 0.945 418 Q CA 0.654 56.346 55.803 -0.185 0.000 0.924 418 Q CB 0.391 29.028 28.738 -0.168 0.000 1.016 418 Q HN 0.481 nan 8.270 nan 0.000 0.503 419 H N -0.153 118.872 119.070 -0.075 0.000 2.439 419 H HA 0.169 4.727 4.556 0.004 0.000 0.228 419 H C 0.024 175.297 175.328 -0.091 0.000 1.423 419 H CA -0.072 55.943 56.048 -0.056 0.000 1.386 419 H CB 0.578 30.325 29.762 -0.025 0.000 1.641 419 H HN 0.259 nan 8.280 nan 0.000 0.508 420 Q N 0.613 120.423 119.800 0.017 0.000 2.364 420 Q HA -0.103 4.240 4.340 0.004 0.000 0.207 420 Q C 1.682 177.656 176.000 -0.043 0.000 0.970 420 Q CA 0.827 56.617 55.803 -0.021 0.000 0.888 420 Q CB 0.385 29.091 28.738 -0.052 0.000 0.951 420 Q HN 0.518 nan 8.270 nan 0.000 0.469 421 E N 1.240 121.449 120.200 0.016 0.000 2.502 421 E HA -0.069 4.284 4.350 0.004 0.000 0.194 421 E C -0.624 176.016 176.600 0.067 0.000 1.062 421 E CA 0.351 56.769 56.400 0.029 0.000 0.867 421 E CB 0.060 29.790 29.700 0.050 0.000 0.888 421 E HN 0.119 nan 8.360 nan 0.000 0.510 422 D N 1.717 122.164 120.400 0.078 0.000 2.217 422 D HA 0.185 4.827 4.640 0.004 0.000 0.243 422 D C -1.769 174.571 176.300 0.068 0.000 1.054 422 D CA -2.255 51.809 54.000 0.107 0.000 0.838 422 D CB 1.761 42.641 40.800 0.134 0.000 1.162 422 D HN -0.169 nan 8.370 nan 0.000 0.472 423 P HA 0.153 nan 4.420 nan 0.000 0.257 423 P C -0.492 176.844 177.300 0.059 0.000 1.281 423 P CA 0.109 63.241 63.100 0.054 0.000 0.826 423 P CB 0.376 32.102 31.700 0.043 0.000 1.237 424 L N 1.684 122.954 121.223 0.079 0.000 2.381 424 L HA 0.375 4.717 4.340 0.004 0.000 0.268 424 L C -1.637 175.274 176.870 0.068 0.000 0.997 424 L CA -2.217 52.644 54.840 0.036 0.000 0.818 424 L CB 3.289 45.330 42.059 -0.031 0.000 1.310 424 L HN -0.332 nan 8.230 nan 0.000 0.416 425 P HA 0.059 nan 4.420 nan 0.000 0.245 425 P C 0.329 177.417 177.300 -0.354 0.000 1.206 425 P CA 0.470 63.538 63.100 -0.054 0.000 0.781 425 P CB 0.543 32.217 31.700 -0.043 0.000 0.994 426 I N 2.426 122.710 120.570 -0.477 0.000 2.416 426 I HA 0.184 4.357 4.170 0.004 0.000 0.288 426 I C -2.102 173.449 176.117 -0.944 0.000 1.051 426 I CA -2.552 58.402 61.300 -0.577 0.000 1.375 426 I CB 0.390 38.169 38.000 -0.369 0.000 1.407 426 I HN -0.191 nan 8.210 nan 0.000 0.516 427 P HA 0.063 nan 4.420 nan 0.000 0.269 427 P C 0.216 177.265 177.300 -0.419 0.000 1.215 427 P CA -0.101 62.603 63.100 -0.659 0.000 0.780 427 P CB 0.452 32.000 31.700 -0.253 0.000 0.898 428 F N 0.484 120.346 119.950 -0.146 0.000 1.997 428 F HA -0.167 4.362 4.527 0.003 0.000 0.296 428 F C 1.185 176.949 175.800 -0.060 0.000 1.160 428 F CA 1.650 59.594 58.000 -0.093 0.000 1.176 428 F CB -1.649 37.295 39.000 -0.093 0.000 0.964 428 F HN 0.334 nan 8.300 nan 0.000 0.484 429 E N 0.992 121.296 120.200 0.173 0.000 1.858 429 E HA 0.237 4.590 4.350 0.004 0.000 0.267 429 E C -1.100 175.523 176.600 0.039 0.000 1.215 429 E CA -0.013 56.442 56.400 0.092 0.000 0.952 429 E CB -0.170 29.578 29.700 0.081 0.000 1.058 429 E HN 0.150 nan 8.360 nan 0.000 0.407 430 D N 2.865 123.278 120.400 0.022 0.000 2.863 430 D HA 0.311 4.953 4.640 0.004 0.000 0.245 430 D C -2.669 173.648 176.300 0.028 0.000 1.211 430 D CA -2.475 51.520 54.000 -0.007 0.000 0.888 430 D CB 1.436 42.195 40.800 -0.069 0.000 1.483 430 D HN 0.011 nan 8.370 nan 0.000 0.533 431 P HA 0.175 nan 4.420 nan 0.000 0.272 431 P C -0.430 176.965 177.300 0.158 0.000 1.240 431 P CA -0.449 62.728 63.100 0.127 0.000 0.791 431 P CB 0.460 32.238 31.700 0.131 0.000 0.978 432 E N 1.420 121.730 120.200 0.182 0.000 2.314 432 E HA 0.324 4.676 4.350 0.004 0.000 0.262 432 E C -2.621 173.980 176.600 0.002 0.000 1.093 432 E CA -2.173 54.267 56.400 0.068 0.000 0.908 432 E CB -0.581 29.134 29.700 0.026 0.000 1.091 432 E HN 0.183 nan 8.360 nan 0.000 0.425 433 P HA 0.119 nan 4.420 nan 0.000 0.274 433 P C -0.598 176.633 177.300 -0.116 0.000 1.237 433 P CA -0.145 62.993 63.100 0.063 0.000 0.793 433 P CB 0.396 32.148 31.700 0.086 0.000 0.977 434 Q N 0.597 120.324 119.800 -0.121 0.000 3.394 434 Q HA 0.286 4.629 4.340 0.004 0.000 0.285 434 Q C -1.118 174.917 176.000 0.058 0.000 0.866 434 Q CA -0.325 55.349 55.803 -0.214 0.000 0.844 434 Q CB 0.968 29.316 28.738 -0.650 0.000 1.472 434 Q HN 0.169 nan 8.270 nan 0.000 0.401 435 V N 1.052 121.024 119.914 0.097 0.000 2.427 435 V HA 0.613 4.736 4.120 0.004 0.000 0.286 435 V C 0.282 176.400 176.094 0.039 0.000 1.034 435 V CA -0.190 62.180 62.300 0.117 0.000 0.893 435 V CB 1.792 33.650 31.823 0.058 0.000 0.982 435 V HN 0.438 nan 8.190 nan 0.000 0.452 436 T N 2.582 117.184 114.554 0.080 0.000 2.912 436 T HA 0.472 4.825 4.350 0.004 0.000 0.299 436 T C -0.742 173.934 174.700 -0.041 0.000 1.052 436 T CA -0.343 61.742 62.100 -0.024 0.000 0.996 436 T CB 1.780 70.603 68.868 -0.075 0.000 1.070 436 T HN 0.734 nan 8.240 nan 0.000 0.465 437 T N 5.252 119.664 114.554 -0.237 0.000 2.809 437 T HA 0.554 4.906 4.350 0.004 0.000 0.296 437 T C -0.133 174.433 174.700 -0.224 0.000 1.015 437 T CA -0.562 61.263 62.100 -0.460 0.000 0.954 437 T CB -0.135 68.120 68.868 -1.021 0.000 0.950 437 T HN 0.539 nan 8.240 nan 0.000 0.450 438 L N 4.722 125.873 121.223 -0.121 0.000 2.426 438 L HA 0.360 4.702 4.340 0.004 0.000 0.271 438 L C 0.685 177.501 176.870 -0.091 0.000 1.169 438 L CA -0.823 54.006 54.840 -0.019 0.000 0.836 438 L CB 0.205 42.271 42.059 0.013 0.000 1.112 438 L HN 0.643 nan 8.230 nan 0.000 0.465 439 F N 3.974 123.799 119.950 -0.208 0.000 2.439 439 F HA -0.151 4.378 4.527 0.003 0.000 0.417 439 F C 0.240 175.736 175.800 -0.507 0.000 0.957 439 F CA 0.599 58.365 58.000 -0.389 0.000 1.146 439 F CB 0.008 38.883 39.000 -0.208 0.000 0.911 439 F HN 0.418 nan 8.300 nan 0.000 0.531 440 Q N 7.271 126.449 119.800 -1.037 0.000 2.484 440 Q HA 0.322 4.665 4.340 0.004 0.000 0.285 440 Q C -2.065 173.394 176.000 -0.902 0.000 1.097 440 Q CA -1.811 53.583 55.803 -0.682 0.000 0.802 440 Q CB 1.401 29.793 28.738 -0.576 0.000 1.444 440 Q HN 0.241 nan 8.270 nan 0.000 0.429 441 P HA -0.064 nan 4.420 nan 0.000 0.233 441 P C 1.005 178.083 177.300 -0.370 0.000 1.167 441 P CA 0.930 63.808 63.100 -0.371 0.000 0.770 441 P CB 0.298 31.925 31.700 -0.122 0.000 0.837 442 S N -0.659 114.848 115.700 -0.321 0.000 2.558 442 S HA -0.061 4.412 4.470 0.004 0.000 0.217 442 S C 0.579 175.008 174.600 -0.285 0.000 0.975 442 S CA -0.064 58.013 58.200 -0.205 0.000 0.912 442 S CB -1.238 61.921 63.200 -0.069 0.000 0.776 442 S HN 0.438 nan 8.310 nan 0.000 0.526 443 H N -1.288 117.342 119.070 -0.734 0.000 2.661 443 H HA 0.476 5.034 4.556 0.003 0.000 0.243 443 H C -3.244 171.007 175.328 -1.796 0.000 1.410 443 H CA -1.614 53.686 56.048 -1.248 0.000 1.509 443 H CB 0.603 29.865 29.762 -0.833 0.000 1.761 443 H HN 0.042 nan 8.280 nan 0.000 0.576 444 P HA 0.099 nan 4.420 nan 0.000 0.226 444 P C -1.276 175.513 177.300 -0.850 0.000 1.783 444 P CA 0.279 62.323 63.100 -1.759 0.000 0.980 444 P CB -1.100 30.140 31.700 -0.768 0.000 1.967 445 W N -0.532 120.456 121.300 -0.520 0.000 3.146 445 W HA 0.494 5.158 4.660 0.007 0.000 0.319 445 W C -1.328 175.258 176.519 0.111 0.000 1.258 445 W CA -1.247 56.133 57.345 0.058 0.000 1.189 445 W CB 0.018 29.513 29.460 0.060 0.000 1.412 445 W HN -0.018 nan 8.180 nan 0.000 0.567 446 H N 1.002 120.337 119.070 0.442 0.000 2.481 446 H HA 0.690 5.248 4.556 0.003 0.000 0.339 446 H C -0.119 175.375 175.328 0.277 0.000 1.131 446 H CA 0.610 56.813 56.048 0.259 0.000 1.301 446 H CB 1.507 31.354 29.762 0.142 0.000 1.476 446 H HN 0.599 nan 8.280 nan 0.000 0.529 447 T N 2.159 116.348 114.554 -0.607 0.000 2.893 447 T HA 0.473 4.825 4.350 0.004 0.000 0.293 447 T C -0.814 173.654 174.700 -0.388 0.000 1.027 447 T CA -1.087 60.740 62.100 -0.455 0.000 0.988 447 T CB 1.612 70.113 68.868 -0.613 0.000 1.043 447 T HN 0.685 nan 8.240 nan 0.000 0.461 448 Q N 2.210 122.002 119.800 -0.013 0.000 2.294 448 Q HA 0.466 4.808 4.340 0.004 0.000 0.264 448 Q C -1.104 174.832 176.000 -0.106 0.000 0.992 448 Q CA -0.518 55.171 55.803 -0.191 0.000 0.747 448 Q CB 2.209 30.692 28.738 -0.425 0.000 1.262 448 Q HN 0.740 nan 8.270 nan 0.000 0.452 449 I N 3.822 124.280 120.570 -0.186 0.000 2.347 449 I HA 0.378 4.551 4.170 0.004 0.000 0.283 449 I C -0.062 175.963 176.117 -0.152 0.000 1.058 449 I CA -0.279 60.759 61.300 -0.437 0.000 1.202 449 I CB -0.024 37.558 38.000 -0.697 0.000 1.386 449 I HN 0.723 nan 8.210 nan 0.000 0.475 450 H N 3.963 122.861 119.070 -0.287 0.000 3.234 450 H HA 0.663 5.222 4.556 0.005 0.000 0.280 450 H C -1.077 174.185 175.328 -0.110 0.000 1.601 450 H CA -1.350 54.598 56.048 -0.167 0.000 1.198 450 H CB 1.446 31.132 29.762 -0.127 0.000 1.840 450 H HN 0.151 nan 8.280 nan 0.000 0.681 451 R N 1.165 121.471 120.500 -0.324 0.000 2.515 451 R HA 0.280 4.623 4.340 0.004 0.000 0.291 451 R C -1.838 174.244 176.300 -0.364 0.000 1.046 451 R CA -0.598 55.286 56.100 -0.360 0.000 0.914 451 R CB 1.785 32.003 30.300 -0.136 0.000 1.191 451 R HN 0.886 nan 8.270 nan 0.000 0.435 452 D N 1.254 121.428 120.400 -0.376 0.000 2.819 452 D HA 0.313 4.955 4.640 0.004 0.000 0.232 452 D C -0.629 175.615 176.300 -0.093 0.000 1.160 452 D CA -0.557 53.315 54.000 -0.212 0.000 0.858 452 D CB 2.042 42.748 40.800 -0.156 0.000 1.610 452 D HN 0.522 nan 8.370 nan 0.000 0.481 453 A N 1.953 124.756 122.820 -0.028 0.000 2.470 453 A HA 0.388 4.710 4.320 0.004 0.000 0.290 453 A C 0.236 177.814 177.584 -0.010 0.000 1.120 453 A CA 1.013 53.072 52.037 0.037 0.000 1.013 453 A CB -1.258 17.842 19.000 0.167 0.000 0.914 453 A HN 0.707 nan 8.150 nan 0.000 0.525 454 A N 2.529 125.343 122.820 -0.010 0.000 2.342 454 A HA 0.725 5.047 4.320 0.004 0.000 0.323 454 A C 0.626 178.213 177.584 0.004 0.000 1.125 454 A CA 0.006 52.032 52.037 -0.018 0.000 0.785 454 A CB 1.265 20.278 19.000 0.021 0.000 1.221 454 A HN 2.018 nan 8.150 nan 0.000 0.463 455 A N 2.273 125.085 122.820 -0.013 0.000 3.019 455 A HA 0.544 4.867 4.320 0.004 0.000 0.262 455 A C 1.029 178.622 177.584 0.016 0.000 1.509 455 A CA 0.343 52.378 52.037 -0.003 0.000 1.159 455 A CB -1.475 17.510 19.000 -0.026 0.000 1.042 455 A HN 2.272 nan 8.150 nan 0.000 0.641 456 A N -0.248 122.591 122.820 0.033 0.000 2.591 456 A HA 0.220 4.542 4.320 0.004 0.000 0.265 456 A C 1.376 178.980 177.584 0.034 0.000 0.946 456 A CA 0.908 52.970 52.037 0.042 0.000 0.928 456 A CB -0.295 18.733 19.000 0.046 0.000 0.816 456 A HN 1.086 nan 8.150 nan 0.000 0.466 457 G N 1.384 110.205 108.800 0.034 0.000 2.680 457 G HA2 0.407 4.370 3.960 0.004 0.000 0.224 457 G HA3 0.407 4.370 3.960 0.004 0.000 0.224 457 G C 1.147 176.062 174.900 0.025 0.000 1.454 457 G CA 0.797 45.913 45.100 0.026 0.000 0.900 457 G HN 1.512 nan 8.290 nan 0.000 0.570 458 A N -1.270 121.565 122.820 0.026 0.000 1.975 458 A HA 0.500 4.823 4.320 0.004 0.000 0.197 458 A C 1.620 179.219 177.584 0.026 0.000 1.537 458 A CA 0.647 52.698 52.037 0.023 0.000 0.972 458 A CB 0.294 19.305 19.000 0.019 0.000 1.019 458 A HN 0.310 nan 8.150 nan 0.000 0.488 459 V N 1.221 121.152 119.914 0.029 0.000 3.514 459 V HA 0.056 4.179 4.120 0.004 0.000 0.301 459 V C 0.989 177.106 176.094 0.037 0.000 1.346 459 V CA 1.118 63.437 62.300 0.031 0.000 1.156 459 V CB -0.689 31.153 31.823 0.031 0.000 1.029 459 V HN 0.723 nan 8.190 nan 0.000 0.428 460 Q N -1.644 118.179 119.800 0.039 0.000 2.040 460 Q HA 0.163 4.506 4.340 0.004 0.000 0.212 460 Q C 1.037 177.062 176.000 0.043 0.000 0.766 460 Q CA -0.094 55.736 55.803 0.045 0.000 0.967 460 Q CB 0.412 29.181 28.738 0.053 0.000 1.202 460 Q HN 0.467 nan 8.270 nan 0.000 0.446 461 Q N 0.114 119.936 119.800 0.037 0.000 2.319 461 Q HA 0.217 4.560 4.340 0.004 0.000 0.209 461 Q C 1.663 177.684 176.000 0.035 0.000 0.884 461 Q CA 0.461 56.286 55.803 0.036 0.000 0.938 461 Q CB 0.822 29.578 28.738 0.031 0.000 1.098 461 Q HN 0.086 nan 8.270 nan 0.000 0.517 462 S N -0.408 115.313 115.700 0.034 0.000 2.441 462 S HA 0.133 4.606 4.470 0.004 0.000 0.224 462 S C 0.565 175.186 174.600 0.035 0.000 1.043 462 S CA 0.066 58.285 58.200 0.032 0.000 0.948 462 S CB 0.372 63.589 63.200 0.029 0.000 0.810 462 S HN 0.135 nan 8.310 nan 0.000 0.504 463 I N 3.182 123.775 120.570 0.038 0.000 2.395 463 I HA 0.233 4.406 4.170 0.004 0.000 0.289 463 I C 0.370 176.514 176.117 0.045 0.000 1.023 463 I CA -1.308 60.016 61.300 0.040 0.000 1.350 463 I CB 0.545 38.569 38.000 0.041 0.000 1.409 463 I HN 0.189 nan 8.210 nan 0.000 0.507 464 D N 4.523 124.951 120.400 0.047 0.000 2.451 464 D HA -0.065 4.577 4.640 0.004 0.000 0.254 464 D C 1.238 177.569 176.300 0.052 0.000 1.204 464 D CA 0.261 54.295 54.000 0.056 0.000 0.896 464 D CB 1.037 41.872 40.800 0.059 0.000 1.136 464 D HN 0.651 nan 8.370 nan 0.000 0.499 465 S N 5.194 120.929 115.700 0.057 0.000 2.406 465 S HA -0.342 4.130 4.470 0.004 0.000 0.242 465 S C 1.756 176.380 174.600 0.040 0.000 1.079 465 S CA 1.284 59.514 58.200 0.051 0.000 1.133 465 S CB -0.327 62.907 63.200 0.056 0.000 1.005 465 S HN 0.657 nan 8.310 nan 0.000 0.443 466 R N 1.131 121.651 120.500 0.035 0.000 2.159 466 R HA 0.113 4.456 4.340 0.004 0.000 0.237 466 R C 2.186 178.489 176.300 0.004 0.000 1.131 466 R CA 1.315 57.418 56.100 0.006 0.000 0.982 466 R CB -0.630 29.652 30.300 -0.030 0.000 0.868 466 R HN 0.468 nan 8.270 nan 0.000 0.453 467 L N 0.659 121.893 121.223 0.019 0.000 2.478 467 L HA 0.060 4.402 4.340 0.004 0.000 0.223 467 L C 0.834 177.733 176.870 0.048 0.000 1.140 467 L CA 0.342 55.199 54.840 0.028 0.000 0.842 467 L CB -0.092 41.985 42.059 0.031 0.000 0.953 467 L HN 0.105 nan 8.230 nan 0.000 0.452 468 I N 0.317 120.916 120.570 0.049 0.000 2.396 468 I HA 0.263 4.436 4.170 0.004 0.000 0.292 468 I C -0.392 175.760 176.117 0.058 0.000 0.999 468 I CA -0.314 61.025 61.300 0.064 0.000 1.310 468 I CB 1.734 39.769 38.000 0.058 0.000 1.404 468 I HN -0.272 nan 8.210 nan 0.000 0.496 469 V N 4.334 124.305 119.914 0.095 0.000 2.876 469 V HA 0.388 4.510 4.120 0.004 0.000 0.312 469 V C -0.861 175.260 176.094 0.045 0.000 1.085 469 V CA -0.855 61.462 62.300 0.030 0.000 0.945 469 V CB 2.463 34.298 31.823 0.020 0.000 1.017 469 V HN 0.596 nan 8.190 nan 0.000 0.428 470 D N 1.239 121.586 120.400 -0.088 0.000 2.181 470 D HA 0.562 5.205 4.640 0.004 0.000 0.248 470 D C -1.214 175.036 176.300 -0.084 0.000 1.020 470 D CA 0.018 54.028 54.000 0.016 0.000 0.891 470 D CB 1.644 42.437 40.800 -0.011 0.000 1.187 470 D HN 0.460 nan 8.370 nan 0.000 0.443 471 W N 1.024 122.362 121.300 0.063 0.000 2.619 471 W HA 0.468 5.129 4.660 0.001 0.000 0.327 471 W C 0.075 176.671 176.519 0.128 0.000 1.027 471 W CA -0.833 56.573 57.345 0.102 0.000 1.233 471 W CB 1.390 30.782 29.460 -0.113 0.000 1.370 471 W HN -0.081 nan 8.180 nan 0.000 0.453 472 R N 2.990 123.779 120.500 0.482 0.000 2.502 472 R HA 0.479 4.821 4.340 0.004 0.000 0.298 472 R C -1.573 175.020 176.300 0.489 0.000 1.018 472 R CA -0.834 55.452 56.100 0.311 0.000 0.899 472 R CB 1.533 31.992 30.300 0.265 0.000 1.181 472 R HN 0.174 nan 8.270 nan 0.000 0.444 473 F N 3.233 123.097 119.950 -0.143 0.000 2.458 473 F HA 0.482 5.013 4.527 0.006 0.000 0.336 473 F C -0.297 175.392 175.800 -0.185 0.000 1.114 473 F CA -1.472 56.507 58.000 -0.035 0.000 0.987 473 F CB 1.006 39.896 39.000 -0.183 0.000 1.130 473 F HN 0.302 nan 8.300 nan 0.000 0.458 474 F N 1.606 121.738 119.950 0.303 0.000 2.403 474 F HA 0.606 5.136 4.527 0.006 0.000 0.355 474 F C 0.703 176.684 175.800 0.301 0.000 1.119 474 F CA -1.178 56.998 58.000 0.293 0.000 1.007 474 F CB 1.166 40.386 39.000 0.366 0.000 1.194 474 F HN 0.528 nan 8.300 nan 0.000 0.443 475 G N 2.433 111.443 108.800 0.351 0.000 2.537 475 G HA2 0.551 4.513 3.960 0.004 0.000 0.273 475 G HA3 0.551 4.513 3.960 0.004 0.000 0.273 475 G C -0.635 174.434 174.900 0.280 0.000 1.189 475 G CA -0.992 44.303 45.100 0.325 0.000 0.881 475 G HN 0.694 nan 8.290 nan 0.000 0.535 476 R N -0.501 120.160 120.500 0.268 0.000 2.407 476 R HA 0.587 4.929 4.340 0.004 0.000 0.303 476 R C -1.070 175.313 176.300 0.139 0.000 0.981 476 R CA -0.589 55.596 56.100 0.140 0.000 0.905 476 R CB 1.285 31.679 30.300 0.157 0.000 1.099 476 R HN 0.264 nan 8.270 nan 0.000 0.459 477 T N 2.751 117.358 114.554 0.089 0.000 2.779 477 T HA 0.153 4.505 4.350 0.004 0.000 0.280 477 T C -0.547 174.239 174.700 0.143 0.000 0.987 477 T CA -0.670 61.539 62.100 0.183 0.000 0.966 477 T CB 1.284 70.344 68.868 0.320 0.000 0.933 477 T HN 0.558 nan 8.240 nan 0.000 0.442 478 E N 4.097 124.388 120.200 0.152 0.000 2.415 478 E HA 0.133 4.486 4.350 0.004 0.000 0.263 478 E C -2.216 174.484 176.600 0.166 0.000 0.995 478 E CA -1.379 55.105 56.400 0.139 0.000 0.915 478 E CB 0.272 30.045 29.700 0.121 0.000 0.951 478 E HN 0.291 nan 8.360 nan 0.000 0.449 479 P HA 0.106 nan 4.420 nan 0.000 0.276 479 P C -0.966 176.510 177.300 0.294 0.000 1.243 479 P CA -0.022 63.233 63.100 0.259 0.000 0.768 479 P CB 0.671 32.531 31.700 0.265 0.000 0.856 480 K N 2.487 123.027 120.400 0.233 0.000 2.378 480 K HA 0.159 4.482 4.320 0.004 0.000 0.252 480 K C 0.945 177.443 176.600 -0.169 0.000 0.931 480 K CA -0.665 55.685 56.287 0.105 0.000 0.794 480 K CB 2.273 34.788 32.500 0.025 0.000 1.181 480 K HN 0.466 nan 8.250 nan 0.000 0.425 481 E N 2.183 122.099 120.200 -0.473 0.000 2.130 481 E HA -0.226 4.126 4.350 0.004 0.000 0.196 481 E C 0.962 177.319 176.600 -0.405 0.000 0.998 481 E CA 1.556 57.385 56.400 -0.952 0.000 0.806 481 E CB 0.476 29.812 29.700 -0.606 0.000 0.738 481 E HN 0.544 nan 8.360 nan 0.000 0.459 482 E N 0.420 120.499 120.200 -0.202 0.000 2.418 482 E HA -0.100 4.252 4.350 0.004 0.000 0.197 482 E C -0.084 176.484 176.600 -0.052 0.000 1.026 482 E CA 0.276 56.612 56.400 -0.107 0.000 0.862 482 E CB -0.248 29.406 29.700 -0.077 0.000 0.799 482 E HN 0.070 nan 8.360 nan 0.000 0.518 483 N N 2.167 120.845 118.700 -0.036 0.000 2.406 483 N HA 0.163 4.906 4.740 0.004 0.000 0.251 483 N C -0.719 174.891 175.510 0.167 0.000 1.069 483 N CA 0.056 53.165 53.050 0.099 0.000 0.947 483 N CB 1.082 39.671 38.487 0.170 0.000 1.111 483 N HN 0.124 nan 8.380 nan 0.000 0.497 484 K N 1.288 121.821 120.400 0.221 0.000 2.318 484 K HA 0.460 4.782 4.320 0.004 0.000 0.249 484 K C -0.856 175.888 176.600 0.240 0.000 0.942 484 K CA -0.976 55.447 56.287 0.226 0.000 0.808 484 K CB 2.437 35.083 32.500 0.243 0.000 1.189 484 K HN 0.185 nan 8.250 nan 0.000 0.428 485 L N 4.213 125.522 121.223 0.143 0.000 2.295 485 L HA 0.467 4.809 4.340 0.004 0.000 0.281 485 L C -1.010 175.789 176.870 -0.119 0.000 1.018 485 L CA -0.174 54.586 54.840 -0.134 0.000 0.841 485 L CB 0.369 42.350 42.059 -0.129 0.000 1.218 485 L HN 0.669 nan 8.230 nan 0.000 0.424 486 W N 3.539 124.577 121.300 -0.437 0.000 2.869 486 W HA 0.672 5.335 4.660 0.005 0.000 0.345 486 W C -1.946 174.076 176.519 -0.828 0.000 1.191 486 W CA -1.291 55.835 57.345 -0.366 0.000 1.104 486 W CB 0.714 30.102 29.460 -0.119 0.000 1.471 486 W HN 0.286 nan 8.180 nan 0.000 0.612 487 F N 1.086 121.195 119.950 0.266 0.000 2.539 487 F HA 0.295 4.824 4.527 0.004 0.000 0.318 487 F C 0.635 176.586 175.800 0.253 0.000 1.135 487 F CA -0.939 57.109 58.000 0.079 0.000 0.915 487 F CB 2.043 41.071 39.000 0.046 0.000 1.176 487 F HN 0.218 nan 8.300 nan 0.000 0.440 488 S N 1.260 117.106 115.700 0.244 0.000 2.549 488 S HA 0.033 4.505 4.470 0.004 0.000 0.286 488 S C 0.811 175.549 174.600 0.230 0.000 1.314 488 S CA -0.424 57.944 58.200 0.279 0.000 1.062 488 S CB 0.281 63.556 63.200 0.125 0.000 0.865 488 S HN 0.683 nan 8.310 nan 0.000 0.498 489 D N 3.537 124.061 120.400 0.207 0.000 2.355 489 D HA 0.064 4.706 4.640 0.004 0.000 0.218 489 D C 1.117 177.476 176.300 0.099 0.000 1.004 489 D CA 0.822 54.901 54.000 0.131 0.000 0.880 489 D CB 0.189 41.048 40.800 0.099 0.000 0.911 489 D HN 0.467 nan 8.370 nan 0.000 0.528 490 K N -0.552 119.913 120.400 0.107 0.000 2.309 490 K HA 0.191 4.513 4.320 0.004 0.000 0.210 490 K C 0.459 177.102 176.600 0.072 0.000 1.114 490 K CA -0.239 56.097 56.287 0.081 0.000 0.912 490 K CB 0.658 33.207 32.500 0.082 0.000 1.198 490 K HN -0.017 nan 8.250 nan 0.000 0.471 491 I N 2.114 122.729 120.570 0.075 0.000 3.021 491 I HA 0.120 4.292 4.170 0.004 0.000 0.303 491 I C 0.621 176.772 176.117 0.058 0.000 1.044 491 I CA 0.061 61.394 61.300 0.054 0.000 1.266 491 I CB 0.686 38.707 38.000 0.034 0.000 1.447 491 I HN 0.295 nan 8.210 nan 0.000 0.593 492 T N -0.804 113.780 114.554 0.049 0.000 2.889 492 T HA 0.495 4.848 4.350 0.004 0.000 0.315 492 T C -0.768 173.968 174.700 0.059 0.000 1.291 492 T CA -1.006 61.132 62.100 0.063 0.000 1.028 492 T CB 2.203 71.107 68.868 0.061 0.000 1.235 492 T HN 0.561 nan 8.240 nan 0.000 0.491 493 D N 1.188 121.642 120.400 0.090 0.000 2.447 493 D HA 0.516 5.159 4.640 0.004 0.000 0.265 493 D C 1.815 178.157 176.300 0.070 0.000 1.250 493 D CA -0.307 53.754 54.000 0.101 0.000 1.046 493 D CB -0.028 40.878 40.800 0.177 0.000 1.095 493 D HN 0.736 nan 8.370 nan 0.000 0.555 494 A N -1.135 121.704 122.820 0.031 0.000 2.084 494 A HA -0.197 4.126 4.320 0.004 0.000 0.221 494 A C 1.217 178.578 177.584 -0.372 0.000 1.161 494 A CA 1.174 53.105 52.037 -0.176 0.000 0.653 494 A CB -1.070 17.771 19.000 -0.265 0.000 0.802 494 A HN 0.584 nan 8.150 nan 0.000 0.457 495 Y N -0.867 119.471 120.300 0.063 0.000 2.658 495 Y HA 0.209 4.761 4.550 0.003 0.000 0.276 495 Y C 0.448 176.397 175.900 0.082 0.000 1.167 495 Y CA -0.284 57.860 58.100 0.073 0.000 1.230 495 Y CB -0.527 37.973 38.460 0.066 0.000 1.144 495 Y HN 0.456 nan 8.280 nan 0.000 0.529 496 N N -0.433 118.348 118.700 0.136 0.000 2.710 496 N HA -0.201 4.541 4.740 0.004 0.000 0.249 496 N C -0.640 174.936 175.510 0.110 0.000 1.059 496 N CA 0.660 53.770 53.050 0.101 0.000 0.720 496 N CB -0.745 37.782 38.487 0.067 0.000 0.983 496 N HN 0.212 nan 8.380 nan 0.000 0.544 497 M N -0.517 119.168 119.600 0.143 0.000 2.444 497 M HA 0.406 4.888 4.480 0.004 0.000 0.319 497 M C -2.011 174.354 176.300 0.107 0.000 1.183 497 M CA -2.258 53.108 55.300 0.109 0.000 1.032 497 M CB 0.205 32.879 32.600 0.124 0.000 1.569 497 M HN -0.264 nan 8.290 nan 0.000 0.468 498 P HA -0.020 nan 4.420 nan 0.000 0.264 498 P C -0.604 176.824 177.300 0.214 0.000 1.183 498 P CA 0.084 63.274 63.100 0.150 0.000 0.763 498 P CB 0.289 32.090 31.700 0.168 0.000 0.807 499 Q N 5.903 125.777 119.800 0.122 0.000 2.297 499 Q HA 0.216 4.558 4.340 0.004 0.000 0.267 499 Q C -2.379 173.541 176.000 -0.134 0.000 1.006 499 Q CA -1.999 53.815 55.803 0.019 0.000 0.896 499 Q CB -0.313 28.400 28.738 -0.042 0.000 1.186 499 Q HN 0.262 nan 8.270 nan 0.000 0.392 500 P HA 0.084 nan 4.420 nan 0.000 0.268 500 P C -1.207 175.581 177.300 -0.854 0.000 1.204 500 P CA 0.126 62.766 63.100 -0.766 0.000 0.768 500 P CB 0.898 32.215 31.700 -0.638 0.000 0.842 501 T N 3.320 117.129 114.554 -1.241 0.000 2.916 501 T HA 0.535 4.888 4.350 0.004 0.000 0.298 501 T C -0.672 173.308 174.700 -1.199 0.000 1.031 501 T CA -0.195 61.183 62.100 -1.203 0.000 0.993 501 T CB 0.546 68.386 68.868 -1.714 0.000 1.045 501 T HN 0.006 nan 8.240 nan 0.000 0.454 502 F N 1.811 121.465 119.950 -0.493 0.000 2.425 502 F HA 0.522 5.051 4.527 0.004 0.000 0.331 502 F C 0.647 176.407 175.800 -0.066 0.000 1.085 502 F CA -0.960 56.888 58.000 -0.253 0.000 1.028 502 F CB 1.260 40.163 39.000 -0.162 0.000 1.177 502 F HN 0.418 nan 8.300 nan 0.000 0.487 503 D N 3.048 123.632 120.400 0.306 0.000 2.443 503 D HA 0.170 4.813 4.640 0.004 0.000 0.281 503 D C -1.672 174.780 176.300 0.254 0.000 1.210 503 D CA -0.041 54.126 54.000 0.277 0.000 0.875 503 D CB -0.048 40.938 40.800 0.311 0.000 1.125 503 D HN 0.276 nan 8.370 nan 0.000 0.503 504 F N 2.332 122.289 119.950 0.012 0.000 2.540 504 F HA 0.609 5.138 4.527 0.003 0.000 0.317 504 F C -0.693 175.011 175.800 -0.160 0.000 1.104 504 F CA -0.642 57.299 58.000 -0.098 0.000 0.913 504 F CB 1.291 40.175 39.000 -0.194 0.000 1.170 504 F HN -0.085 nan 8.300 nan 0.000 0.450 505 R N 4.290 124.278 120.500 -0.854 0.000 2.740 505 R HA 0.330 4.672 4.340 0.004 0.000 0.273 505 R C -1.711 173.954 176.300 -1.058 0.000 0.998 505 R CA -0.955 54.716 56.100 -0.716 0.000 0.900 505 R CB 1.843 31.961 30.300 -0.302 0.000 1.223 505 R HN 0.573 nan 8.270 nan 0.000 0.466 506 F N 2.986 122.627 119.950 -0.515 0.000 2.541 506 F HA 0.196 4.724 4.527 0.002 0.000 0.378 506 F C -1.338 174.320 175.800 -0.237 0.000 1.068 506 F CA -1.402 56.394 58.000 -0.340 0.000 1.199 506 F CB -0.032 38.902 39.000 -0.110 0.000 1.091 506 F HN 0.129 nan 8.300 nan 0.000 0.555 507 P HA -0.016 nan 4.420 nan 0.000 0.261 507 P C -0.420 176.899 177.300 0.032 0.000 1.165 507 P CA 0.129 63.224 63.100 -0.008 0.000 0.759 507 P CB 0.405 32.124 31.700 0.031 0.000 0.772 508 A N 3.352 126.175 122.820 0.005 0.000 2.429 508 A HA 0.528 4.850 4.320 0.004 0.000 0.242 508 A C 1.204 178.802 177.584 0.023 0.000 1.088 508 A CA 0.867 52.909 52.037 0.009 0.000 0.784 508 A CB -0.835 18.163 19.000 -0.003 0.000 1.038 508 A HN 0.832 nan 8.150 nan 0.000 0.501 509 G N -0.054 108.760 108.800 0.024 0.000 2.578 509 G HA2 -0.221 3.741 3.960 0.004 0.000 0.232 509 G HA3 -0.221 3.741 3.960 0.004 0.000 0.232 509 G C 0.969 175.897 174.900 0.046 0.000 1.176 509 G CA 0.597 45.717 45.100 0.034 0.000 0.968 509 G HN 1.042 nan 8.290 nan 0.000 0.583 510 R N 0.318 120.854 120.500 0.060 0.000 2.193 510 R HA 0.061 4.404 4.340 0.004 0.000 0.213 510 R C 2.553 178.909 176.300 0.093 0.000 1.055 510 R CA 1.994 58.139 56.100 0.076 0.000 0.995 510 R CB -0.574 29.773 30.300 0.079 0.000 0.893 510 R HN 0.567 nan 8.270 nan 0.000 0.459 511 T N -0.128 114.482 114.554 0.093 0.000 2.821 511 T HA -0.027 4.325 4.350 0.004 0.000 0.267 511 T C 1.758 176.495 174.700 0.061 0.000 1.046 511 T CA 1.536 63.702 62.100 0.110 0.000 1.139 511 T CB 0.035 68.995 68.868 0.153 0.000 0.871 511 T HN 0.196 nan 8.240 nan 0.000 0.454 512 S N 0.523 116.245 115.700 0.036 0.000 2.406 512 S HA 0.077 4.550 4.470 0.004 0.000 0.224 512 S C 1.981 176.578 174.600 -0.004 0.000 1.030 512 S CA 0.454 58.642 58.200 -0.020 0.000 0.958 512 S CB -0.063 63.125 63.200 -0.020 0.000 0.811 512 S HN 0.384 nan 8.310 nan 0.000 0.489 513 K N 1.346 121.767 120.400 0.034 0.000 2.097 513 K HA -0.078 4.244 4.320 0.004 0.000 0.205 513 K C 1.837 178.493 176.600 0.094 0.000 1.050 513 K CA 1.174 57.492 56.287 0.053 0.000 0.938 513 K CB -0.063 32.474 32.500 0.061 0.000 0.718 513 K HN 0.353 nan 8.250 nan 0.000 0.442 514 E N -0.101 120.176 120.200 0.128 0.000 2.072 514 E HA -0.141 4.211 4.350 0.004 0.000 0.191 514 E C 1.917 178.606 176.600 0.148 0.000 0.985 514 E CA 0.923 57.463 56.400 0.234 0.000 0.801 514 E CB -0.075 29.794 29.700 0.282 0.000 0.750 514 E HN 0.383 nan 8.360 nan 0.000 0.452 515 A N 1.182 124.043 122.820 0.069 0.000 1.917 515 A HA -0.299 4.023 4.320 0.004 0.000 0.219 515 A C 2.059 179.691 177.584 0.080 0.000 1.182 515 A CA 2.077 54.139 52.037 0.042 0.000 0.633 515 A CB -0.462 18.511 19.000 -0.045 0.000 0.819 515 A HN 0.199 nan 8.150 nan 0.000 0.448 516 E N 0.047 120.279 120.200 0.054 0.000 2.076 516 E HA -0.119 4.233 4.350 0.004 0.000 0.190 516 E C 1.393 177.984 176.600 -0.016 0.000 0.979 516 E CA 1.267 57.707 56.400 0.067 0.000 0.807 516 E CB -0.226 29.486 29.700 0.020 0.000 0.761 516 E HN 0.500 nan 8.360 nan 0.000 0.454 517 D N 0.243 120.645 120.400 0.004 0.000 2.158 517 D HA -0.229 4.414 4.640 0.004 0.000 0.197 517 D C 1.887 178.024 176.300 -0.272 0.000 0.995 517 D CA 1.293 55.316 54.000 0.038 0.000 0.846 517 D CB -0.330 40.640 40.800 0.283 0.000 0.941 517 D HN 0.311 nan 8.370 nan 0.000 0.456 518 M N -0.285 118.813 119.600 -0.837 0.000 2.065 518 M HA -0.236 4.247 4.480 0.004 0.000 0.259 518 M C 2.123 178.049 176.300 -0.623 0.000 1.069 518 M CA 1.420 55.887 55.300 -1.388 0.000 1.110 518 M CB -0.054 31.857 32.600 -1.148 0.000 1.328 518 M HN 0.000 nan 8.290 nan 0.000 0.405 519 M N 0.056 119.408 119.600 -0.412 0.000 2.144 519 M HA -0.173 4.309 4.480 0.004 0.000 0.260 519 M C 1.714 177.849 176.300 -0.274 0.000 1.067 519 M CA 2.216 57.287 55.300 -0.382 0.000 1.095 519 M CB -0.850 31.632 32.600 -0.196 0.000 1.365 519 M HN 0.240 nan 8.290 nan 0.000 0.406 520 T N -0.149 114.304 114.554 -0.168 0.000 2.904 520 T HA -0.111 4.242 4.350 0.004 0.000 0.267 520 T C 1.397 176.065 174.700 -0.053 0.000 1.059 520 T CA 1.585 63.637 62.100 -0.080 0.000 1.137 520 T CB -0.378 68.482 68.868 -0.013 0.000 0.879 520 T HN 0.512 nan 8.240 nan 0.000 0.467 521 D N 0.765 121.144 120.400 -0.035 0.000 2.103 521 D HA -0.008 4.635 4.640 0.004 0.000 0.199 521 D C 2.086 178.434 176.300 0.081 0.000 0.978 521 D CA 0.759 54.862 54.000 0.171 0.000 0.829 521 D CB -0.252 40.825 40.800 0.461 0.000 0.981 521 D HN 0.205 nan 8.370 nan 0.000 0.464 522 M N -0.214 119.205 119.600 -0.303 0.000 2.106 522 M HA -0.230 4.252 4.480 0.004 0.000 0.259 522 M C 1.950 177.979 176.300 -0.452 0.000 1.068 522 M CA 1.439 56.233 55.300 -0.845 0.000 1.100 522 M CB -0.201 31.596 32.600 -1.340 0.000 1.351 522 M HN 0.240 nan 8.290 nan 0.000 0.404 523 C N -0.750 118.392 119.300 -0.263 0.000 2.453 523 C HA -0.107 4.355 4.460 0.004 0.000 0.277 523 C C 2.659 177.569 174.990 -0.133 0.000 1.262 523 C CA 0.762 59.711 59.018 -0.115 0.000 1.718 523 C CB -1.019 26.713 27.740 -0.013 0.000 2.031 523 C HN 0.476 nan 8.230 nan 0.000 0.480 524 V N 0.739 120.618 119.914 -0.058 0.000 2.343 524 V HA -0.303 3.819 4.120 0.004 0.000 0.247 524 V C 2.413 178.506 176.094 -0.002 0.000 1.051 524 V CA 2.351 64.645 62.300 -0.009 0.000 1.036 524 V CB -0.621 31.247 31.823 0.075 0.000 0.654 524 V HN 0.602 nan 8.190 nan 0.000 0.451 525 M N 0.420 120.048 119.600 0.047 0.000 2.193 525 M HA -0.115 4.367 4.480 0.004 0.000 0.265 525 M C 2.405 178.613 176.300 -0.153 0.000 1.071 525 M CA 2.016 57.410 55.300 0.156 0.000 1.140 525 M CB -0.109 32.733 32.600 0.402 0.000 1.369 525 M HN 0.544 nan 8.290 nan 0.000 0.423 526 S N 0.533 115.849 115.700 -0.640 0.000 2.423 526 S HA 0.009 4.481 4.470 0.004 0.000 0.231 526 S C 1.834 176.093 174.600 -0.569 0.000 1.014 526 S CA 0.811 58.262 58.200 -1.248 0.000 0.965 526 S CB -0.772 61.446 63.200 -1.637 0.000 0.785 526 S HN 0.539 nan 8.310 nan 0.000 0.495 527 A N 1.332 123.911 122.820 -0.402 0.000 2.248 527 A HA 0.115 4.437 4.320 0.004 0.000 0.210 527 A C 1.963 179.439 177.584 -0.181 0.000 1.174 527 A CA 0.782 52.630 52.037 -0.315 0.000 0.750 527 A CB -0.397 18.440 19.000 -0.270 0.000 0.780 527 A HN 0.619 nan 8.150 nan 0.000 0.478 528 K N -0.897 119.436 120.400 -0.111 0.000 2.354 528 K HA 0.225 4.547 4.320 0.004 0.000 0.194 528 K C 0.893 177.505 176.600 0.020 0.000 1.045 528 K CA 0.066 56.335 56.287 -0.030 0.000 1.026 528 K CB 0.322 32.835 32.500 0.022 0.000 0.866 528 K HN 0.349 nan 8.250 nan 0.000 0.530 529 I N -0.165 120.443 120.570 0.062 0.000 3.039 529 I HA 0.169 4.341 4.170 0.004 0.000 0.270 529 I C 1.147 177.303 176.117 0.065 0.000 1.150 529 I CA 0.635 62.018 61.300 0.139 0.000 1.448 529 I CB -0.186 38.038 38.000 0.374 0.000 1.197 529 I HN 0.072 nan 8.210 nan 0.000 0.450 530 G N -0.641 108.155 108.800 -0.007 0.000 2.488 530 G HA2 0.502 4.464 3.960 0.004 0.000 0.301 530 G HA3 0.502 4.464 3.960 0.004 0.000 0.301 530 G C -0.632 174.159 174.900 -0.183 0.000 1.339 530 G CA -0.107 44.958 45.100 -0.058 0.000 0.803 530 G HN 0.292 nan 8.290 nan 0.000 0.482 531 G N -1.195 107.493 108.800 -0.186 0.000 2.616 531 G HA2 0.502 4.464 3.960 0.004 0.000 0.268 531 G HA3 0.502 4.464 3.960 0.004 0.000 0.268 531 G C -0.397 174.375 174.900 -0.213 0.000 1.213 531 G CA -0.459 44.451 45.100 -0.316 0.000 0.926 531 G HN 0.363 nan 8.290 nan 0.000 0.523 532 F N -0.787 119.091 119.950 -0.120 0.000 2.518 532 F HA 0.189 4.719 4.527 0.006 0.000 0.359 532 F C 0.702 176.458 175.800 -0.074 0.000 1.118 532 F CA -0.928 56.997 58.000 -0.125 0.000 1.287 532 F CB 0.784 39.700 39.000 -0.139 0.000 1.132 532 F HN 0.098 nan 8.300 nan 0.000 0.587 533 L N 6.497 127.811 121.223 0.152 0.000 2.385 533 L HA 0.375 4.717 4.340 0.004 0.000 0.281 533 L C -2.392 174.515 176.870 0.062 0.000 1.106 533 L CA -2.396 52.492 54.840 0.080 0.000 0.856 533 L CB -0.127 41.969 42.059 0.062 0.000 1.186 533 L HN 0.263 nan 8.230 nan 0.000 0.453 534 P HA 0.249 nan 4.420 nan 0.000 0.263 534 P C 0.628 177.945 177.300 0.028 0.000 1.195 534 P CA 0.804 63.927 63.100 0.038 0.000 0.762 534 P CB 0.666 32.387 31.700 0.034 0.000 0.799 535 G N 2.120 110.929 108.800 0.016 0.000 2.218 535 G HA2 -0.187 3.775 3.960 0.004 0.000 0.216 535 G HA3 -0.187 3.775 3.960 0.004 0.000 0.216 535 G C 0.205 175.126 174.900 0.034 0.000 0.994 535 G CA 0.040 45.154 45.100 0.024 0.000 0.637 535 G HN 0.516 nan 8.290 nan 0.000 0.505 536 S N 0.677 116.378 115.700 0.003 0.000 2.407 536 S HA 0.551 5.024 4.470 0.004 0.000 0.166 536 S C 0.005 174.480 174.600 -0.209 0.000 1.445 536 S CA -0.557 57.633 58.200 -0.018 0.000 1.260 536 S CB 0.607 63.821 63.200 0.024 0.000 1.401 536 S HN 0.457 nan 8.310 nan 0.000 0.379 537 L N 1.754 122.841 121.223 -0.227 0.000 2.421 537 L HA 0.469 4.811 4.340 0.004 0.000 0.263 537 L C -2.272 174.278 176.870 -0.534 0.000 1.122 537 L CA -2.638 51.930 54.840 -0.453 0.000 0.804 537 L CB 0.258 42.138 42.059 -0.299 0.000 1.150 537 L HN 0.068 nan 8.230 nan 0.000 0.457 538 P HA -0.066 nan 4.420 nan 0.000 0.257 538 P C -1.356 175.735 177.300 -0.348 0.000 1.162 538 P CA 0.430 63.158 63.100 -0.620 0.000 0.762 538 P CB 0.147 31.456 31.700 -0.653 0.000 0.753 539 Q N 1.788 121.424 119.800 -0.273 0.000 2.527 539 Q HA 0.477 4.819 4.340 0.004 0.000 0.280 539 Q C -1.476 174.435 176.000 -0.148 0.000 0.977 539 Q CA -0.864 54.872 55.803 -0.112 0.000 0.837 539 Q CB 0.769 29.493 28.738 -0.022 0.000 1.454 539 Q HN 0.085 nan 8.270 nan 0.000 0.387 540 F N 1.726 121.632 119.950 -0.072 0.000 2.412 540 F HA 0.367 4.894 4.527 0.001 0.000 0.348 540 F C 0.484 176.268 175.800 -0.027 0.000 1.102 540 F CA -0.414 57.550 58.000 -0.060 0.000 1.196 540 F CB 1.149 40.108 39.000 -0.069 0.000 1.144 540 F HN 0.379 nan 8.300 nan 0.000 0.541 541 M N 2.393 122.054 119.600 0.102 0.000 2.288 541 M HA 0.192 4.675 4.480 0.004 0.000 0.334 541 M C 0.011 176.360 176.300 0.081 0.000 1.150 541 M CA -0.849 54.478 55.300 0.045 0.000 1.118 541 M CB 0.692 33.269 32.600 -0.038 0.000 1.501 541 M HN 0.450 nan 8.290 nan 0.000 0.462 542 E N 1.686 121.906 120.200 0.033 0.000 2.652 542 E HA 0.049 4.402 4.350 0.004 0.000 0.255 542 E C -2.317 174.308 176.600 0.041 0.000 0.952 542 E CA -1.476 54.943 56.400 0.031 0.000 0.947 542 E CB -0.879 28.815 29.700 -0.011 0.000 0.912 542 E HN 0.251 nan 8.360 nan 0.000 0.489 543 P HA -0.112 nan 4.420 nan 0.000 0.255 543 P C 0.973 178.208 177.300 -0.107 0.000 1.151 543 P CA 1.784 64.912 63.100 0.046 0.000 0.767 543 P CB 0.120 31.824 31.700 0.007 0.000 0.736 544 G N 2.845 111.578 108.800 -0.113 0.000 2.268 544 G HA2 -0.366 3.597 3.960 0.004 0.000 0.240 544 G HA3 -0.366 3.597 3.960 0.004 0.000 0.240 544 G C 0.917 175.762 174.900 -0.091 0.000 1.010 544 G CA 0.235 45.229 45.100 -0.176 0.000 0.618 544 G HN 0.533 nan 8.290 nan 0.000 0.516 545 L N 0.807 121.992 121.223 -0.064 0.000 2.064 545 L HA -0.108 4.234 4.340 0.004 0.000 0.216 545 L C 2.917 179.752 176.870 -0.057 0.000 1.077 545 L CA 2.905 57.709 54.840 -0.059 0.000 0.766 545 L CB -0.318 41.704 42.059 -0.061 0.000 0.890 545 L HN 0.572 nan 8.230 nan 0.000 0.435 546 V N -0.292 119.591 119.914 -0.052 0.000 2.490 546 V HA -0.184 3.938 4.120 0.004 0.000 0.250 546 V C 1.381 177.354 176.094 -0.202 0.000 1.061 546 V CA 1.441 63.692 62.300 -0.082 0.000 1.064 546 V CB -0.279 31.543 31.823 -0.000 0.000 0.670 546 V HN 0.488 nan 8.190 nan 0.000 0.461 547 L N 0.170 121.340 121.223 -0.089 0.000 3.472 547 L HA -0.206 4.137 4.340 0.004 0.000 0.485 547 L C 0.183 177.115 176.870 0.104 0.000 1.312 547 L CA 0.837 55.675 54.840 -0.003 0.000 0.869 547 L CB -2.394 39.693 42.059 0.048 0.000 1.687 547 L HN 0.581 nan 8.230 nan 0.000 0.853 548 H N -0.773 118.392 119.070 0.159 0.000 2.665 548 H HA 0.306 4.866 4.556 0.005 0.000 0.248 548 H C 0.397 175.843 175.328 0.196 0.000 1.175 548 H CA -0.918 55.260 56.048 0.217 0.000 0.952 548 H CB 0.821 30.746 29.762 0.271 0.000 1.883 548 H HN 0.289 nan 8.280 nan 0.000 0.623 549 L N 1.638 122.988 121.223 0.211 0.000 2.499 549 L HA 0.338 4.680 4.340 0.004 0.000 0.273 549 L C 0.480 177.467 176.870 0.195 0.000 1.195 549 L CA 0.658 55.563 54.840 0.107 0.000 0.882 549 L CB 0.502 42.584 42.059 0.039 0.000 1.133 549 L HN 0.224 nan 8.230 nan 0.000 0.483 550 G N 1.768 110.691 108.800 0.204 0.000 2.733 550 G HA2 0.530 4.492 3.960 0.004 0.000 0.288 550 G HA3 0.530 4.492 3.960 0.004 0.000 0.288 550 G C 0.293 175.298 174.900 0.175 0.000 1.373 550 G CA -0.407 44.856 45.100 0.271 0.000 0.895 550 G HN 1.363 nan 8.290 nan 0.000 0.479 551 G N -1.089 107.782 108.800 0.119 0.000 2.168 551 G HA2 -0.246 3.716 3.960 0.004 0.000 0.263 551 G HA3 -0.246 3.716 3.960 0.004 0.000 0.263 551 G C 1.398 176.358 174.900 0.101 0.000 0.977 551 G CA 1.613 46.784 45.100 0.117 0.000 0.659 551 G HN 1.921 nan 8.290 nan 0.000 0.533 552 T N -1.936 112.636 114.554 0.030 0.000 2.962 552 T HA 0.067 4.419 4.350 0.004 0.000 0.270 552 T C 1.047 175.833 174.700 0.144 0.000 1.088 552 T CA 1.908 64.064 62.100 0.092 0.000 1.127 552 T CB -0.310 68.618 68.868 0.099 0.000 0.883 552 T HN 1.578 nan 8.240 nan 0.000 0.493 553 H N -0.126 119.010 119.070 0.111 0.000 2.490 553 H HA 0.493 5.051 4.556 0.004 0.000 0.230 553 H C -0.203 175.156 175.328 0.053 0.000 1.417 553 H CA -1.327 54.761 56.048 0.066 0.000 1.449 553 H CB -0.137 29.627 29.762 0.002 0.000 1.649 553 H HN 0.364 nan 8.280 nan 0.000 0.519 554 R N 1.578 122.159 120.500 0.135 0.000 2.490 554 R HA 0.375 4.717 4.340 0.004 0.000 0.278 554 R C -0.467 175.882 176.300 0.082 0.000 1.069 554 R CA -0.823 55.327 56.100 0.085 0.000 1.080 554 R CB 1.194 31.546 30.300 0.087 0.000 1.030 554 R HN 0.533 nan 8.270 nan 0.000 0.491 555 M N 1.808 121.434 119.600 0.043 0.000 2.274 555 M HA 0.466 4.949 4.480 0.004 0.000 0.344 555 M C -0.639 175.668 176.300 0.012 0.000 1.161 555 M CA 0.200 55.501 55.300 0.001 0.000 1.126 555 M CB 1.590 34.165 32.600 -0.043 0.000 1.522 555 M HN 0.940 nan 8.290 nan 0.000 0.461 556 G N 2.335 111.161 108.800 0.044 0.000 2.576 556 G HA2 0.409 4.371 3.960 0.004 0.000 0.290 556 G HA3 0.409 4.371 3.960 0.004 0.000 0.290 556 G C -0.849 174.103 174.900 0.087 0.000 1.442 556 G CA -0.727 44.383 45.100 0.017 0.000 0.792 556 G HN 0.710 nan 8.290 nan 0.000 0.491 557 F N 0.070 120.120 119.950 0.166 0.000 2.146 557 F HA 0.172 4.702 4.527 0.004 0.000 0.298 557 F C 1.265 177.149 175.800 0.141 0.000 1.096 557 F CA 1.573 59.666 58.000 0.155 0.000 1.275 557 F CB 0.292 39.341 39.000 0.081 0.000 1.008 557 F HN 0.439 nan 8.300 nan 0.000 0.480 558 D N -1.320 119.195 120.400 0.192 0.000 2.646 558 D HA 0.139 4.782 4.640 0.004 0.000 0.245 558 D C 0.669 176.763 176.300 -0.343 0.000 1.099 558 D CA -0.310 53.621 54.000 -0.115 0.000 0.849 558 D CB 1.465 42.246 40.800 -0.032 0.000 1.448 558 D HN 0.088 nan 8.370 nan 0.000 0.489 559 E N 2.793 122.511 120.200 -0.804 0.000 2.077 559 E HA -0.217 4.136 4.350 0.004 0.000 0.193 559 E C 1.281 177.747 176.600 -0.224 0.000 0.989 559 E CA 1.104 57.071 56.400 -0.722 0.000 0.800 559 E CB 0.274 29.483 29.700 -0.819 0.000 0.746 559 E HN 0.395 nan 8.360 nan 0.000 0.452 560 K N 0.030 120.330 120.400 -0.166 0.000 2.168 560 K HA -0.056 4.266 4.320 0.004 0.000 0.201 560 K C 2.033 178.611 176.600 -0.036 0.000 1.049 560 K CA 0.583 56.833 56.287 -0.063 0.000 0.974 560 K CB 0.104 32.578 32.500 -0.045 0.000 0.792 560 K HN 0.061 nan 8.250 nan 0.000 0.463 561 E N 0.662 120.836 120.200 -0.043 0.000 2.051 561 E HA -0.157 4.195 4.350 0.004 0.000 0.192 561 E C 0.511 177.108 176.600 -0.005 0.000 0.991 561 E CA 1.279 57.673 56.400 -0.011 0.000 0.799 561 E CB 0.154 29.855 29.700 0.002 0.000 0.748 561 E HN 0.336 nan 8.360 nan 0.000 0.449 562 D N 0.095 120.489 120.400 -0.011 0.000 2.358 562 D HA 0.043 4.685 4.640 0.004 0.000 0.224 562 D C -0.636 175.611 176.300 -0.088 0.000 1.123 562 D CA -0.033 53.956 54.000 -0.019 0.000 0.833 562 D CB -0.143 40.684 40.800 0.044 0.000 0.946 562 D HN 0.110 nan 8.370 nan 0.000 0.505 563 N N 0.595 119.247 118.700 -0.079 0.000 2.669 563 N HA -0.199 4.543 4.740 0.004 0.000 0.266 563 N C -0.259 175.199 175.510 -0.088 0.000 1.024 563 N CA 0.586 53.578 53.050 -0.097 0.000 0.766 563 N CB -1.315 37.021 38.487 -0.250 0.000 0.898 563 N HN 0.437 nan 8.380 nan 0.000 0.548 564 C N -3.509 115.831 119.300 0.067 0.000 3.285 564 C HA 0.759 5.221 4.460 0.004 0.000 0.320 564 C C 1.336 176.532 174.990 0.344 0.000 1.411 564 C CA -0.747 58.375 59.018 0.173 0.000 1.429 564 C CB 1.573 29.431 27.740 0.196 0.000 1.812 564 C HN 0.483 nan 8.230 nan 0.000 0.454 565 C N 0.323 119.806 119.300 0.306 0.000 3.270 565 C HA 0.523 4.985 4.460 0.004 0.000 0.369 565 C C 0.579 175.546 174.990 -0.037 0.000 1.326 565 C CA 0.572 59.737 59.018 0.245 0.000 1.846 565 C CB -0.371 27.460 27.740 0.152 0.000 2.534 565 C HN 1.002 nan 8.230 nan 0.000 0.649 566 V N 1.432 121.203 119.914 -0.238 0.000 2.841 566 V HA 0.656 4.778 4.120 0.004 0.000 0.310 566 V C -0.684 174.974 176.094 -0.725 0.000 1.090 566 V CA -0.677 61.218 62.300 -0.675 0.000 0.930 566 V CB 1.338 32.976 31.823 -0.309 0.000 1.014 566 V HN 0.407 nan 8.190 nan 0.000 0.425 567 N N 2.291 120.380 118.700 -1.018 0.000 2.290 567 N HA 0.179 4.921 4.740 0.004 0.000 0.269 567 N C 0.965 176.342 175.510 -0.221 0.000 1.295 567 N CA 0.534 53.393 53.050 -0.320 0.000 0.932 567 N CB -0.298 38.123 38.487 -0.109 0.000 1.128 567 N HN 0.963 nan 8.380 nan 0.000 0.532 568 T N -5.283 109.172 114.554 -0.165 0.000 3.194 568 T HA 0.137 4.490 4.350 0.004 0.000 0.251 568 T C -0.199 174.409 174.700 -0.153 0.000 1.132 568 T CA 0.112 62.092 62.100 -0.200 0.000 1.028 568 T CB -0.364 68.356 68.868 -0.245 0.000 0.976 568 T HN 0.397 nan 8.240 nan 0.000 0.535 569 D N 1.055 121.367 120.400 -0.147 0.000 2.395 569 D HA 0.196 4.838 4.640 0.004 0.000 0.213 569 D C 0.600 176.895 176.300 -0.009 0.000 1.110 569 D CA 0.010 53.941 54.000 -0.115 0.000 0.835 569 D CB 0.229 40.850 40.800 -0.297 0.000 0.965 569 D HN 0.353 nan 8.370 nan 0.000 0.505 570 S N 0.068 115.730 115.700 -0.064 0.000 3.561 570 S HA -0.295 4.178 4.470 0.004 0.000 0.318 570 S C 0.593 175.188 174.600 -0.009 0.000 1.181 570 S CA 0.592 58.788 58.200 -0.007 0.000 0.916 570 S CB -1.691 61.569 63.200 0.101 0.000 0.966 570 S HN 0.516 nan 8.310 nan 0.000 0.550 571 R N 0.998 121.382 120.500 -0.195 0.000 2.368 571 R HA 0.535 4.878 4.340 0.004 0.000 0.302 571 R C -0.158 175.842 176.300 -0.500 0.000 1.002 571 R CA -0.571 55.232 56.100 -0.494 0.000 0.929 571 R CB 0.784 30.742 30.300 -0.569 0.000 1.073 571 R HN 0.121 nan 8.270 nan 0.000 0.464 572 V N 5.867 125.515 119.914 -0.443 0.000 2.529 572 V HA 0.059 4.182 4.120 0.004 0.000 0.292 572 V C 0.126 176.148 176.094 -0.120 0.000 1.028 572 V CA 0.024 62.127 62.300 -0.327 0.000 1.074 572 V CB -0.186 31.455 31.823 -0.304 0.000 0.958 572 V HN 0.561 nan 8.190 nan 0.000 0.481 573 F N 3.614 123.621 119.950 0.094 0.000 2.629 573 F HA 0.385 4.915 4.527 0.004 0.000 0.377 573 F C 1.628 177.572 175.800 0.240 0.000 1.101 573 F CA 1.395 59.472 58.000 0.129 0.000 1.301 573 F CB -0.328 38.736 39.000 0.106 0.000 1.062 573 F HN 0.794 nan 8.300 nan 0.000 0.583 574 G N 1.708 110.710 108.800 0.336 0.000 2.320 574 G HA2 -0.302 3.660 3.960 0.004 0.000 0.242 574 G HA3 -0.302 3.660 3.960 0.004 0.000 0.242 574 G C -0.012 174.849 174.900 -0.064 0.000 1.033 574 G CA -0.316 44.863 45.100 0.133 0.000 0.620 574 G HN 0.434 nan 8.290 nan 0.000 0.517 575 F N 0.981 120.969 119.950 0.062 0.000 2.421 575 F HA 0.638 5.168 4.527 0.004 0.000 0.337 575 F C 1.273 177.074 175.800 0.002 0.000 1.105 575 F CA -0.511 57.509 58.000 0.033 0.000 1.049 575 F CB 1.743 40.761 39.000 0.031 0.000 1.139 575 F HN -0.029 nan 8.300 nan 0.000 0.479 576 K N 2.157 122.666 120.400 0.183 0.000 2.314 576 K HA -0.022 4.300 4.320 0.004 0.000 0.198 576 K C 0.236 177.036 176.600 0.333 0.000 1.045 576 K CA 1.161 57.578 56.287 0.216 0.000 0.988 576 K CB -0.008 32.605 32.500 0.188 0.000 0.783 576 K HN 0.772 nan 8.250 nan 0.000 0.484 577 N N 0.441 119.290 118.700 0.248 0.000 2.217 577 N HA 0.054 4.796 4.740 0.004 0.000 0.239 577 N C -0.938 174.600 175.510 0.046 0.000 1.330 577 N CA -0.521 52.680 53.050 0.252 0.000 0.838 577 N CB -0.184 38.510 38.487 0.344 0.000 1.287 577 N HN 0.025 nan 8.380 nan 0.000 0.498 578 L N 1.054 122.130 121.223 -0.245 0.000 2.298 578 L HA 0.678 5.020 4.340 0.004 0.000 0.284 578 L C -1.534 174.941 176.870 -0.657 0.000 1.013 578 L CA -0.611 54.068 54.840 -0.269 0.000 0.824 578 L CB 0.378 42.286 42.059 -0.252 0.000 1.221 578 L HN -0.011 nan 8.230 nan 0.000 0.418 579 F N 4.906 124.774 119.950 -0.137 0.000 2.598 579 F HA 0.748 5.277 4.527 0.004 0.000 0.327 579 F C -0.488 175.142 175.800 -0.284 0.000 1.057 579 F CA -0.820 57.069 58.000 -0.184 0.000 0.957 579 F CB 1.685 40.603 39.000 -0.137 0.000 1.278 579 F HN 0.149 nan 8.300 nan 0.000 0.484 580 L N 1.103 122.293 121.223 -0.054 0.000 2.505 580 L HA 0.703 5.045 4.340 0.004 0.000 0.266 580 L C -0.514 176.357 176.870 0.001 0.000 0.954 580 L CA -0.671 54.057 54.840 -0.186 0.000 0.852 580 L CB 2.051 43.899 42.059 -0.352 0.000 1.282 580 L HN 0.798 nan 8.230 nan 0.000 0.403 581 G N 0.700 109.508 108.800 0.012 0.000 2.524 581 G HA2 0.862 4.824 3.960 0.004 0.000 0.310 581 G HA3 0.862 4.824 3.960 0.004 0.000 0.310 581 G C -0.534 174.484 174.900 0.197 0.000 1.279 581 G CA -0.296 44.919 45.100 0.192 0.000 0.974 581 G HN 0.954 nan 8.290 nan 0.000 0.484 582 G N -1.290 107.627 108.800 0.194 0.000 2.369 582 G HA2 0.168 4.131 3.960 0.004 0.000 0.307 582 G HA3 0.168 4.131 3.960 0.004 0.000 0.307 582 G C 0.713 175.658 174.900 0.076 0.000 1.327 582 G CA 0.142 45.329 45.100 0.144 0.000 0.963 582 G HN 1.044 nan 8.290 nan 0.000 0.590 583 C N 0.373 119.704 119.300 0.051 0.000 2.413 583 C HA 0.129 4.592 4.460 0.004 0.000 0.277 583 C C 3.142 178.114 174.990 -0.031 0.000 1.265 583 C CA 2.020 61.053 59.018 0.024 0.000 1.752 583 C CB -1.308 26.494 27.740 0.103 0.000 1.998 583 C HN 1.304 nan 8.230 nan 0.000 0.489 584 G N 0.896 109.606 108.800 -0.151 0.000 2.516 584 G HA2 -0.260 3.702 3.960 0.004 0.000 0.221 584 G HA3 -0.260 3.702 3.960 0.004 0.000 0.221 584 G C 1.399 175.927 174.900 -0.619 0.000 1.107 584 G CA 1.018 45.816 45.100 -0.504 0.000 0.747 584 G HN 0.563 nan 8.290 nan 0.000 0.567 585 N N 0.242 118.770 118.700 -0.287 0.000 2.331 585 N HA 0.024 4.766 4.740 0.004 0.000 0.180 585 N C 0.983 176.487 175.510 -0.011 0.000 1.019 585 N CA 0.097 53.120 53.050 -0.046 0.000 0.881 585 N CB -0.065 38.469 38.487 0.078 0.000 0.972 585 N HN 0.320 nan 8.380 nan 0.000 0.435 586 I N 2.796 123.362 120.570 -0.008 0.000 2.581 586 I HA 0.007 4.180 4.170 0.004 0.000 0.285 586 I C -1.301 174.895 176.117 0.132 0.000 1.129 586 I CA -0.878 60.446 61.300 0.040 0.000 1.397 586 I CB 0.996 38.953 38.000 -0.072 0.000 1.399 586 I HN -0.002 nan 8.210 nan 0.000 0.537 587 P HA 0.039 nan 4.420 nan 0.000 0.252 587 P C 0.423 177.820 177.300 0.161 0.000 1.218 587 P CA 0.307 63.481 63.100 0.123 0.000 0.807 587 P CB 0.134 31.870 31.700 0.060 0.000 1.072 588 T N -1.930 112.745 114.554 0.201 0.000 2.810 588 T HA 0.641 4.994 4.350 0.004 0.000 0.277 588 T C 0.262 175.106 174.700 0.240 0.000 0.973 588 T CA -0.805 61.407 62.100 0.185 0.000 0.949 588 T CB 0.713 69.666 68.868 0.141 0.000 1.075 588 T HN 0.056 nan 8.240 nan 0.000 0.537 589 A N 1.702 124.598 122.820 0.126 0.000 2.279 589 A HA 0.620 4.942 4.320 0.004 0.000 0.306 589 A C -0.726 176.828 177.584 -0.049 0.000 1.300 589 A CA -0.917 51.145 52.037 0.041 0.000 0.925 589 A CB -0.835 18.198 19.000 0.055 0.000 1.152 589 A HN 0.867 nan 8.150 nan 0.000 0.544 590 Y N -0.323 119.862 120.300 -0.191 0.000 2.512 590 Y HA 0.736 5.289 4.550 0.004 0.000 0.348 590 Y C 0.654 176.393 175.900 -0.268 0.000 0.990 590 Y CA -0.653 57.147 58.100 -0.499 0.000 1.033 590 Y CB 1.411 39.362 38.460 -0.849 0.000 1.259 590 Y HN 0.383 nan 8.280 nan 0.000 0.461 591 G N 0.751 109.429 108.800 -0.202 0.000 2.720 591 G HA2 0.392 4.355 3.960 0.004 0.000 0.204 591 G HA3 0.392 4.355 3.960 0.004 0.000 0.204 591 G C 0.512 175.448 174.900 0.060 0.000 1.113 591 G CA 0.126 45.281 45.100 0.090 0.000 0.805 591 G HN 0.977 nan 8.290 nan 0.000 0.536 592 A N 0.881 123.608 122.820 -0.155 0.000 2.475 592 A HA 0.393 4.715 4.320 0.004 0.000 0.239 592 A C 0.068 177.486 177.584 -0.277 0.000 1.087 592 A CA -0.224 51.590 52.037 -0.372 0.000 0.779 592 A CB -0.124 18.716 19.000 -0.266 0.000 1.036 592 A HN 0.449 nan 8.150 nan 0.000 0.506 593 N N 1.730 120.094 118.700 -0.560 0.000 2.483 593 N HA 0.261 5.003 4.740 0.004 0.000 0.264 593 N C -2.044 173.358 175.510 -0.180 0.000 1.197 593 N CA -0.935 51.774 53.050 -0.569 0.000 0.927 593 N CB 0.370 38.596 38.487 -0.435 0.000 1.065 593 N HN 0.404 nan 8.380 nan 0.000 0.461 594 P HA -0.042 nan 4.420 nan 0.000 0.227 594 P C 0.588 177.804 177.300 -0.140 0.000 1.161 594 P CA 0.834 63.872 63.100 -0.103 0.000 0.788 594 P CB 0.248 31.936 31.700 -0.021 0.000 0.822 595 T N 0.990 115.543 114.554 -0.002 0.000 2.746 595 T HA -0.136 4.217 4.350 0.004 0.000 0.267 595 T C 1.782 176.556 174.700 0.123 0.000 1.039 595 T CA 0.979 63.124 62.100 0.076 0.000 1.142 595 T CB -0.858 68.087 68.868 0.129 0.000 0.866 595 T HN 0.003 nan 8.240 nan 0.000 0.444 596 L N 1.032 122.343 121.223 0.146 0.000 2.079 596 L HA -0.104 4.238 4.340 0.004 0.000 0.210 596 L C 2.493 179.405 176.870 0.071 0.000 1.081 596 L CA 1.719 56.688 54.840 0.215 0.000 0.752 596 L CB -0.938 41.238 42.059 0.195 0.000 0.896 596 L HN 0.207 nan 8.230 nan 0.000 0.433 597 T N -0.753 113.704 114.554 -0.163 0.000 2.812 597 T HA -0.059 4.293 4.350 0.004 0.000 0.264 597 T C 1.890 176.488 174.700 -0.170 0.000 1.042 597 T CA 1.031 62.946 62.100 -0.309 0.000 1.140 597 T CB -0.378 67.906 68.868 -0.973 0.000 0.870 597 T HN 0.483 nan 8.240 nan 0.000 0.445 598 A N 1.433 124.168 122.820 -0.142 0.000 1.972 598 A HA -0.049 4.273 4.320 0.004 0.000 0.219 598 A C 2.262 179.813 177.584 -0.055 0.000 1.169 598 A CA 1.637 53.635 52.037 -0.065 0.000 0.635 598 A CB -0.673 18.311 19.000 -0.026 0.000 0.810 598 A HN 0.529 nan 8.150 nan 0.000 0.446 599 M N -0.313 119.259 119.600 -0.047 0.000 2.062 599 M HA -0.142 4.340 4.480 0.004 0.000 0.259 599 M C 2.246 178.443 176.300 -0.171 0.000 1.076 599 M CA 2.204 57.447 55.300 -0.095 0.000 1.122 599 M CB -0.255 32.303 32.600 -0.069 0.000 1.312 599 M HN 0.361 nan 8.290 nan 0.000 0.412 600 S N 1.327 116.926 115.700 -0.168 0.000 2.390 600 S HA -0.262 4.210 4.470 0.004 0.000 0.234 600 S C 1.766 176.169 174.600 -0.328 0.000 1.063 600 S CA 2.106 60.147 58.200 -0.265 0.000 1.108 600 S CB -0.992 62.026 63.200 -0.303 0.000 0.975 600 S HN 0.531 nan 8.310 nan 0.000 0.442 601 L N 0.915 121.982 121.223 -0.260 0.000 2.046 601 L HA -0.166 4.177 4.340 0.004 0.000 0.208 601 L C 2.778 179.501 176.870 -0.245 0.000 1.077 601 L CA 1.228 55.908 54.840 -0.266 0.000 0.747 601 L CB -0.679 41.296 42.059 -0.140 0.000 0.896 601 L HN 0.373 nan 8.230 nan 0.000 0.432 602 A N 0.247 122.923 122.820 -0.239 0.000 1.902 602 A HA -0.191 4.132 4.320 0.004 0.000 0.217 602 A C 2.207 179.438 177.584 -0.589 0.000 1.181 602 A CA 1.516 53.294 52.037 -0.431 0.000 0.623 602 A CB -0.695 18.050 19.000 -0.425 0.000 0.818 602 A HN 0.347 nan 8.150 nan 0.000 0.443 603 I N -0.382 119.937 120.570 -0.418 0.000 2.145 603 I HA -0.345 3.827 4.170 0.004 0.000 0.244 603 I C 2.565 178.494 176.117 -0.313 0.000 1.075 603 I CA 2.139 63.228 61.300 -0.351 0.000 1.332 603 I CB -0.234 37.580 38.000 -0.310 0.000 1.033 603 I HN 0.383 nan 8.210 nan 0.000 0.410 604 K N 0.335 120.556 120.400 -0.299 0.000 2.057 604 K HA -0.210 4.112 4.320 0.004 0.000 0.207 604 K C 2.377 178.877 176.600 -0.166 0.000 1.049 604 K CA 1.731 57.878 56.287 -0.234 0.000 0.931 604 K CB -0.153 32.178 32.500 -0.282 0.000 0.714 604 K HN 0.141 nan 8.250 nan 0.000 0.440 605 S N 0.002 115.590 115.700 -0.187 0.000 2.387 605 S HA -0.188 4.284 4.470 0.004 0.000 0.230 605 S C 2.024 176.517 174.600 -0.178 0.000 1.035 605 S CA 1.520 59.656 58.200 -0.107 0.000 1.014 605 S CB -0.459 62.734 63.200 -0.011 0.000 0.836 605 S HN 0.555 nan 8.310 nan 0.000 0.466 606 C N 1.224 120.334 119.300 -0.316 0.000 2.435 606 C HA 0.042 4.504 4.460 0.004 0.000 0.279 606 C C 2.496 177.388 174.990 -0.163 0.000 1.321 606 C CA 0.552 59.392 59.018 -0.298 0.000 1.752 606 C CB -1.379 26.138 27.740 -0.371 0.000 1.959 606 C HN 0.682 nan 8.230 nan 0.000 0.500 607 E N -0.451 119.681 120.200 -0.113 0.000 2.017 607 E HA -0.271 4.081 4.350 0.004 0.000 0.193 607 E C 1.858 178.466 176.600 0.014 0.000 0.997 607 E CA 1.627 57.998 56.400 -0.048 0.000 0.804 607 E CB -0.418 29.253 29.700 -0.049 0.000 0.757 607 E HN 0.775 nan 8.360 nan 0.000 0.448 608 Y N 1.356 121.623 120.300 -0.054 0.000 2.132 608 Y HA -0.318 4.235 4.550 0.004 0.000 0.280 608 Y C 2.037 177.974 175.900 0.062 0.000 1.193 608 Y CA 1.765 59.879 58.100 0.023 0.000 1.157 608 Y CB -0.124 38.383 38.460 0.078 0.000 0.966 608 Y HN 0.025 nan 8.280 nan 0.000 0.511 609 I N 0.060 120.642 120.570 0.021 0.000 2.252 609 I HA -0.306 3.867 4.170 0.004 0.000 0.245 609 I C 2.003 178.167 176.117 0.078 0.000 1.102 609 I CA 1.631 62.926 61.300 -0.010 0.000 1.385 609 I CB -0.384 37.415 38.000 -0.334 0.000 1.064 609 I HN 0.191 nan 8.210 nan 0.000 0.414 610 K N 0.416 120.829 120.400 0.021 0.000 2.504 610 K HA -0.097 4.225 4.320 0.004 0.000 0.195 610 K C 1.478 178.139 176.600 0.101 0.000 1.036 610 K CA 0.704 57.087 56.287 0.159 0.000 0.984 610 K CB 0.005 32.569 32.500 0.106 0.000 0.788 610 K HN 0.486 nan 8.250 nan 0.000 0.488 611 Q N -0.495 119.302 119.800 -0.005 0.000 2.246 611 Q HA 0.152 4.494 4.340 0.004 0.000 0.222 611 Q C 0.760 176.647 176.000 -0.188 0.000 0.851 611 Q CA 0.071 55.824 55.803 -0.083 0.000 0.945 611 Q CB 0.755 29.434 28.738 -0.098 0.000 1.122 611 Q HN 0.285 nan 8.270 nan 0.000 0.508 612 N N -0.683 117.871 118.700 -0.244 0.000 2.168 612 N HA 0.149 4.891 4.740 0.004 0.000 0.216 612 N C -0.770 174.352 175.510 -0.647 0.000 1.259 612 N CA 0.276 53.031 53.050 -0.491 0.000 0.902 612 N CB 1.061 39.079 38.487 -0.782 0.000 1.079 612 N HN -0.013 nan 8.380 nan 0.000 0.507 613 F N 0.969 120.946 119.950 0.044 0.000 2.520 613 F HA 0.376 4.905 4.527 0.004 0.000 0.322 613 F C 0.380 176.293 175.800 0.189 0.000 1.103 613 F CA -0.595 57.495 58.000 0.149 0.000 0.926 613 F CB 1.904 41.031 39.000 0.210 0.000 1.154 613 F HN -0.381 nan 8.300 nan 0.000 0.453 614 T N 3.896 118.589 114.554 0.232 0.000 2.837 614 T HA 0.398 4.751 4.350 0.004 0.000 0.285 614 T C -2.539 172.091 174.700 -0.117 0.000 0.984 614 T CA -1.398 60.712 62.100 0.016 0.000 1.049 614 T CB 1.165 70.029 68.868 -0.007 0.000 0.947 614 T HN 0.150 nan 8.240 nan 0.000 0.472 615 P HA 0.164 nan 4.420 nan 0.000 0.268 615 P C -0.155 177.045 177.300 -0.166 0.000 1.205 615 P CA -0.421 62.376 63.100 -0.504 0.000 0.771 615 P CB 0.351 31.679 31.700 -0.621 0.000 0.858 616 S N 3.553 119.214 115.700 -0.066 0.000 2.614 616 S HA 0.500 4.973 4.470 0.004 0.000 0.265 616 S C -2.143 172.446 174.600 -0.019 0.000 1.303 616 S CA -0.989 57.198 58.200 -0.021 0.000 1.000 616 S CB -0.399 62.804 63.200 0.005 0.000 0.935 616 S HN 0.311 nan 8.310 nan 0.000 0.551 617 P HA 0.335 nan 4.420 nan 0.000 0.284 617 P C -0.339 176.999 177.300 0.064 0.000 1.258 617 P CA -0.815 62.303 63.100 0.030 0.000 0.824 617 P CB 0.391 32.104 31.700 0.022 0.000 1.038 618 F N 0.000 119.934 119.950 -0.026 0.000 2.286 618 F HA 0.000 4.529 4.527 0.004 0.000 0.279 618 F CA 0.000 57.991 58.000 -0.015 0.000 1.383 618 F CB 0.000 38.992 39.000 -0.013 0.000 1.145 618 F HN 0.000 nan 8.300 nan 0.000 0.574