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 3nuz_1_C DATA FIRST_RESID 25 DATA SEQUENCE WSPKDHNLIK SVREDGRFLS SYGVVHAXLR NTEPRYAFHR DFSPKEFRKW DATA SEQUENCE QKGLRHAXEE IXKFPQXXXS PAPVCIKREQ REGYRLEKWE FYPLPKCVST DATA SEQUENCE FLVLIPDNIN KPVPAILCIP GSGGNKEGLA GEPGIAPKLN DRYKDPKLTQ DATA SEQUENCE ALNFVKEGYI AVAVDNPAAG EASDLERYTL GSNYDYDVVS RYLLELGWSY DATA SEQUENCE LGYASYLDXQ VLNWXKTQKH IRKDRIVVSG FSLGTEPXXV LGTLDTSIYA DATA SEQUENCE FVYNDFLCQT QERAEVXTXP DKNGRRPFPN SIRHLIPDFW KNFNFPDIVA DATA SEQUENCE ALAPRPIILT EGGLDRDLDL VRKAYAIVGT PDNVKIYHYK KFSDPDTRKN DATA SEQUENCE VEYLPEGLDR NEYFRXVNVD GPNHYFKSEL VVPWLRKLLE E 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 25 W HA 0.000 nan 4.660 nan 0.000 0.303 25 W C 0.000 176.557 176.519 0.063 0.000 1.175 25 W CA 0.000 57.379 57.345 0.057 0.000 1.226 25 W CB 0.000 29.474 29.460 0.023 0.000 1.126 26 S N 2.682 118.113 115.700 -0.449 0.000 2.677 26 S HA 0.527 4.998 4.470 0.001 0.000 0.283 26 S C -1.561 172.526 174.600 -0.856 0.000 1.159 26 S CA -1.141 56.628 58.200 -0.717 0.000 1.001 26 S CB 1.991 65.012 63.200 -0.297 0.000 1.032 26 S HN 0.283 nan 8.310 nan 0.000 0.487 27 P HA -0.074 nan 4.420 nan 0.000 0.220 27 P C 0.691 177.850 177.300 -0.236 0.000 1.148 27 P CA 1.041 63.734 63.100 -0.678 0.000 0.803 27 P CB 0.096 31.534 31.700 -0.437 0.000 0.782 28 K N -0.532 119.730 120.400 -0.231 0.000 2.439 28 K HA -0.052 4.269 4.320 0.001 0.000 0.197 28 K C 1.156 177.676 176.600 -0.133 0.000 1.041 28 K CA 0.694 56.897 56.287 -0.139 0.000 0.970 28 K CB -0.206 32.218 32.500 -0.126 0.000 0.773 28 K HN 0.127 nan 8.250 nan 0.000 0.479 29 D N -0.168 120.126 120.400 -0.177 0.000 2.349 29 D HA -0.007 4.634 4.640 0.001 0.000 0.215 29 D C 0.234 176.255 176.300 -0.465 0.000 1.016 29 D CA 0.853 54.677 54.000 -0.293 0.000 0.870 29 D CB 0.322 40.913 40.800 -0.349 0.000 0.917 29 D HN 0.323 nan 8.370 nan 0.000 0.524 30 H N -0.468 118.592 119.070 -0.017 0.000 2.665 30 H HA 0.107 4.663 4.556 0.001 0.000 0.248 30 H C 1.167 176.495 175.328 -0.001 0.000 1.175 30 H CA -0.247 55.821 56.048 0.033 0.000 0.952 30 H CB 0.233 30.079 29.762 0.140 0.000 1.883 30 H HN -0.016 nan 8.280 nan 0.000 0.623 31 N N 0.336 119.059 118.700 0.039 0.000 2.416 31 N HA -0.024 4.716 4.740 0.001 0.000 0.177 31 N C 0.123 175.627 175.510 -0.012 0.000 1.036 31 N CA 0.221 53.274 53.050 0.006 0.000 0.901 31 N CB 0.413 38.893 38.487 -0.012 0.000 0.976 31 N HN 0.122 nan 8.380 nan 0.000 0.444 32 L N 1.618 122.840 121.223 -0.003 0.000 2.312 32 L HA 0.290 4.631 4.340 0.001 0.000 0.281 32 L C 0.144 177.025 176.870 0.018 0.000 1.070 32 L CA -0.421 54.421 54.840 0.003 0.000 0.805 32 L CB 1.177 43.247 42.059 0.018 0.000 1.174 32 L HN 0.067 nan 8.230 nan 0.000 0.434 33 I N 4.693 125.253 120.570 -0.017 0.000 2.257 33 I HA 0.242 4.413 4.170 0.001 0.000 0.290 33 I C -0.002 176.269 176.117 0.257 0.000 1.137 33 I CA -0.318 60.995 61.300 0.021 0.000 1.255 33 I CB -0.486 37.340 38.000 -0.291 0.000 1.485 33 I HN 0.411 nan 8.210 nan 0.000 0.534 34 K N 2.495 123.081 120.400 0.310 0.000 2.316 34 K HA 0.359 4.680 4.320 0.001 0.000 0.251 34 K C -0.230 176.477 176.600 0.178 0.000 0.934 34 K CA -0.653 55.811 56.287 0.296 0.000 0.802 34 K CB 2.808 35.381 32.500 0.121 0.000 1.171 34 K HN 0.305 nan 8.250 nan 0.000 0.426 35 S N 0.733 116.330 115.700 -0.172 0.000 2.549 35 S HA 0.114 4.584 4.470 0.001 0.000 0.279 35 S C 0.849 175.334 174.600 -0.192 0.000 1.321 35 S CA -0.599 57.311 58.200 -0.482 0.000 1.054 35 S CB 0.251 62.988 63.200 -0.771 0.000 0.899 35 S HN 0.379 nan 8.310 nan 0.000 0.497 36 V N 3.210 123.043 119.914 -0.135 0.000 3.342 36 V HA 0.496 4.616 4.120 0.001 0.000 0.322 36 V C 0.422 176.471 176.094 -0.075 0.000 1.370 36 V CA -0.278 61.981 62.300 -0.069 0.000 1.170 36 V CB -1.052 30.759 31.823 -0.021 0.000 1.101 36 V HN 0.668 nan 8.190 nan 0.000 0.442 37 R N -0.062 120.368 120.500 -0.117 0.000 2.828 37 R HA 0.542 4.882 4.340 0.001 0.000 0.264 37 R C 0.609 176.856 176.300 -0.088 0.000 1.022 37 R CA -0.530 55.514 56.100 -0.093 0.000 1.021 37 R CB 1.715 31.952 30.300 -0.104 0.000 1.163 37 R HN 0.226 nan 8.270 nan 0.000 0.494 38 E N 0.707 120.870 120.200 -0.062 0.000 2.107 38 E HA -0.167 4.183 4.350 0.001 0.000 0.191 38 E C 0.635 177.202 176.600 -0.055 0.000 0.982 38 E CA 1.414 57.783 56.400 -0.051 0.000 0.809 38 E CB 0.122 29.801 29.700 -0.035 0.000 0.756 38 E HN 0.587 nan 8.360 nan 0.000 0.459 39 D N -0.566 119.799 120.400 -0.058 0.000 2.363 39 D HA -0.001 4.640 4.640 0.001 0.000 0.220 39 D C 1.193 177.448 176.300 -0.074 0.000 0.994 39 D CA 0.767 54.736 54.000 -0.052 0.000 0.890 39 D CB -0.031 40.747 40.800 -0.037 0.000 0.906 39 D HN 0.180 nan 8.370 nan 0.000 0.530 40 G N 0.211 108.936 108.800 -0.125 0.000 2.160 40 G HA2 -0.335 3.625 3.960 0.001 0.000 0.244 40 G HA3 -0.335 3.625 3.960 0.001 0.000 0.244 40 G C 0.075 174.802 174.900 -0.288 0.000 1.022 40 G CA -0.014 44.969 45.100 -0.195 0.000 0.741 40 G HN 0.462 nan 8.290 nan 0.000 0.508 41 R N -1.292 119.058 120.500 -0.249 0.000 2.573 41 R HA 0.711 5.052 4.340 0.001 0.000 0.272 41 R C -0.380 175.719 176.300 -0.335 0.000 1.009 41 R CA -0.563 55.429 56.100 -0.179 0.000 1.059 41 R CB 0.700 30.976 30.300 -0.040 0.000 1.112 41 R HN 0.101 nan 8.270 nan 0.000 0.517 42 F N 0.770 120.745 119.950 0.040 0.000 2.480 42 F HA 0.292 4.820 4.527 0.001 0.000 0.329 42 F C 1.150 176.978 175.800 0.046 0.000 1.091 42 F CA -0.630 57.400 58.000 0.051 0.000 0.972 42 F CB 1.209 40.251 39.000 0.070 0.000 1.150 42 F HN 0.291 nan 8.300 nan 0.000 0.467 43 L N 0.845 122.198 121.223 0.217 0.000 2.200 43 L HA 0.042 4.382 4.340 0.001 0.000 0.200 43 L C 1.173 178.135 176.870 0.153 0.000 1.072 43 L CA 0.316 55.241 54.840 0.142 0.000 0.787 43 L CB -0.087 42.028 42.059 0.094 0.000 0.957 43 L HN 0.695 nan 8.230 nan 0.000 0.459 44 S N -0.841 114.970 115.700 0.185 0.000 2.549 44 S HA -0.013 4.458 4.470 0.001 0.000 0.286 44 S C 1.169 175.859 174.600 0.151 0.000 1.314 44 S CA -0.163 58.129 58.200 0.154 0.000 1.062 44 S CB 1.407 64.703 63.200 0.161 0.000 0.865 44 S HN 0.201 nan 8.310 nan 0.000 0.498 45 S N 2.660 118.429 115.700 0.116 0.000 2.423 45 S HA -0.077 4.394 4.470 0.001 0.000 0.231 45 S C 1.209 175.850 174.600 0.068 0.000 1.014 45 S CA 1.052 59.301 58.200 0.082 0.000 0.965 45 S CB -0.754 62.484 63.200 0.063 0.000 0.785 45 S HN 0.829 nan 8.310 nan 0.000 0.495 46 Y N 2.583 122.881 120.300 -0.002 0.000 2.097 46 Y HA -0.119 4.432 4.550 0.001 0.000 0.282 46 Y C 2.471 178.316 175.900 -0.093 0.000 1.152 46 Y CA 1.432 59.521 58.100 -0.017 0.000 1.136 46 Y CB -0.982 37.471 38.460 -0.013 0.000 0.975 46 Y HN 0.240 nan 8.280 nan 0.000 0.498 47 G N -0.703 108.125 108.800 0.047 0.000 2.418 47 G HA2 -0.244 3.716 3.960 0.001 0.000 0.217 47 G HA3 -0.244 3.716 3.960 0.001 0.000 0.217 47 G C 1.734 176.184 174.900 -0.750 0.000 1.158 47 G CA 1.383 46.193 45.100 -0.485 0.000 0.771 47 G HN 0.365 nan 8.290 nan 0.000 0.545 48 V N 1.210 120.952 119.914 -0.286 0.000 2.231 48 V HA -0.240 3.881 4.120 0.001 0.000 0.248 48 V C 3.229 179.242 176.094 -0.135 0.000 1.054 48 V CA 2.131 64.367 62.300 -0.107 0.000 1.015 48 V CB -0.791 31.050 31.823 0.030 0.000 0.638 48 V HN 0.423 nan 8.190 nan 0.000 0.444 49 V N -1.712 118.121 119.914 -0.135 0.000 2.427 49 V HA -0.269 3.852 4.120 0.001 0.000 0.248 49 V C 2.396 178.391 176.094 -0.165 0.000 1.051 49 V CA 2.370 64.594 62.300 -0.128 0.000 1.048 49 V CB -1.230 30.518 31.823 -0.126 0.000 0.666 49 V HN 0.704 nan 8.190 nan 0.000 0.456 50 H N 1.788 120.642 119.070 -0.361 0.000 2.352 50 H HA 0.035 4.592 4.556 0.001 0.000 0.299 50 H C 1.557 176.750 175.328 -0.227 0.000 1.097 50 H CA 1.348 57.207 56.048 -0.316 0.000 1.311 50 H CB -0.177 29.392 29.762 -0.322 0.000 1.377 50 H HN 0.641 nan 8.280 nan 0.000 0.504 54 R N 0.648 120.977 120.500 -0.286 0.000 2.152 54 R HA 0.046 4.386 4.340 0.001 0.000 0.232 54 R C 0.847 177.068 176.300 -0.131 0.000 1.117 54 R CA 2.308 58.263 56.100 -0.240 0.000 0.981 54 R CB -0.324 29.832 30.300 -0.240 0.000 0.870 54 R HN 0.634 nan 8.270 nan 0.000 0.451 55 N N -1.525 117.119 118.700 -0.094 0.000 2.203 55 N HA 0.062 4.803 4.740 0.001 0.000 0.207 55 N C -1.003 174.487 175.510 -0.033 0.000 1.130 55 N CA -0.008 53.013 53.050 -0.048 0.000 0.861 55 N CB 1.179 39.653 38.487 -0.022 0.000 1.005 55 N HN -0.052 nan 8.380 nan 0.000 0.507 56 T N 1.399 115.927 114.554 -0.042 0.000 2.747 56 T HA 0.149 4.499 4.350 0.001 0.000 0.301 56 T C -0.226 174.468 174.700 -0.011 0.000 0.952 56 T CA -0.134 61.961 62.100 -0.009 0.000 0.983 56 T CB 0.438 69.318 68.868 0.020 0.000 0.930 56 T HN 0.083 nan 8.240 nan 0.000 0.494 57 E N 4.700 124.901 120.200 0.001 0.000 2.130 57 E HA 0.222 4.572 4.350 0.001 0.000 0.284 57 E C -2.308 174.306 176.600 0.024 0.000 1.018 57 E CA -1.998 54.406 56.400 0.006 0.000 0.817 57 E CB 0.668 30.370 29.700 0.005 0.000 1.078 57 E HN 0.337 nan 8.360 nan 0.000 0.396 58 P HA 0.004 nan 4.420 nan 0.000 0.267 58 P C 0.349 177.684 177.300 0.057 0.000 1.205 58 P CA 0.015 63.160 63.100 0.076 0.000 0.765 58 P CB 0.689 32.475 31.700 0.144 0.000 0.828 59 R N 2.476 122.978 120.500 0.004 0.000 2.120 59 R HA -0.108 4.233 4.340 0.001 0.000 0.234 59 R C 0.191 176.356 176.300 -0.225 0.000 1.123 59 R CA 1.413 57.431 56.100 -0.137 0.000 0.975 59 R CB -0.080 30.078 30.300 -0.237 0.000 0.866 59 R HN 0.518 nan 8.270 nan 0.000 0.446 60 Y N -0.252 120.197 120.300 0.249 0.000 2.764 60 Y HA 0.418 4.969 4.550 0.001 0.000 0.350 60 Y C -0.078 176.224 175.900 0.670 0.000 0.982 60 Y CA -0.651 57.757 58.100 0.514 0.000 1.431 60 Y CB 0.638 39.315 38.460 0.361 0.000 1.326 60 Y HN 0.048 nan 8.280 nan 0.000 0.550 61 A N 0.443 123.538 122.820 0.458 0.000 2.401 61 A HA 0.290 4.611 4.320 0.001 0.000 0.259 61 A C -0.576 177.089 177.584 0.134 0.000 1.103 61 A CA -0.361 51.837 52.037 0.268 0.000 0.789 61 A CB 0.007 19.012 19.000 0.009 0.000 1.035 61 A HN 0.444 nan 8.150 nan 0.000 0.491 62 F N 2.119 122.027 119.950 -0.070 0.000 2.484 62 F HA 0.385 4.913 4.527 0.001 0.000 0.360 62 F C 0.151 175.553 175.800 -0.662 0.000 1.101 62 F CA 0.303 58.030 58.000 -0.456 0.000 1.251 62 F CB 0.438 39.269 39.000 -0.282 0.000 1.132 62 F HN 0.640 nan 8.300 nan 0.000 0.570 63 H N 5.591 123.582 119.070 -1.799 0.000 2.551 63 H HA 0.389 4.945 4.556 0.001 0.000 0.321 63 H C 0.926 175.181 175.328 -1.789 0.000 1.028 63 H CA -0.553 54.550 56.048 -1.575 0.000 1.215 63 H CB 1.181 29.917 29.762 -1.711 0.000 1.414 63 H HN 0.618 nan 8.280 nan 0.000 0.480 64 R N 1.264 121.259 120.500 -0.842 0.000 2.117 64 R HA -0.147 4.193 4.340 0.001 0.000 0.243 64 R C 0.393 176.506 176.300 -0.311 0.000 1.143 64 R CA 1.774 57.636 56.100 -0.396 0.000 0.968 64 R CB 0.012 30.239 30.300 -0.122 0.000 0.863 64 R HN 0.715 nan 8.270 nan 0.000 0.444 65 D N -0.536 119.653 120.400 -0.352 0.000 2.370 65 D HA -0.030 4.611 4.640 0.001 0.000 0.230 65 D C -0.164 176.066 176.300 -0.117 0.000 1.143 65 D CA -0.218 53.670 54.000 -0.185 0.000 0.834 65 D CB -0.358 40.360 40.800 -0.136 0.000 0.944 65 D HN -0.122 nan 8.370 nan 0.000 0.504 66 F N 2.256 122.097 119.950 -0.182 0.000 2.553 66 F HA 0.149 4.676 4.527 0.001 0.000 0.356 66 F C 1.670 177.471 175.800 0.001 0.000 1.142 66 F CA -1.041 56.897 58.000 -0.103 0.000 1.322 66 F CB 0.564 39.522 39.000 -0.069 0.000 1.126 66 F HN -0.095 nan 8.300 nan 0.000 0.599 67 S N 2.992 118.834 115.700 0.238 0.000 2.632 67 S HA 0.392 4.863 4.470 0.001 0.000 0.271 67 S C -2.012 172.681 174.600 0.155 0.000 1.260 67 S CA -1.247 57.037 58.200 0.139 0.000 1.010 67 S CB 1.603 64.854 63.200 0.086 0.000 0.965 67 S HN 0.322 nan 8.310 nan 0.000 0.534 68 P HA -0.145 nan 4.420 nan 0.000 0.216 68 P C 1.347 178.722 177.300 0.124 0.000 1.150 68 P CA 1.342 64.501 63.100 0.098 0.000 0.843 68 P CB 0.070 31.793 31.700 0.038 0.000 0.787 69 K N 0.237 120.685 120.400 0.080 0.000 2.057 69 K HA -0.167 4.153 4.320 0.001 0.000 0.206 69 K C 1.871 178.493 176.600 0.035 0.000 1.050 69 K CA 1.458 57.779 56.287 0.056 0.000 0.935 69 K CB -0.208 32.314 32.500 0.035 0.000 0.715 69 K HN 0.104 nan 8.250 nan 0.000 0.439 70 E N -0.516 119.690 120.200 0.010 0.000 2.274 70 E HA -0.160 4.191 4.350 0.001 0.000 0.194 70 E C 1.648 178.031 176.600 -0.363 0.000 0.996 70 E CA 0.681 56.992 56.400 -0.148 0.000 0.840 70 E CB -0.075 29.569 29.700 -0.092 0.000 0.772 70 E HN 0.304 nan 8.360 nan 0.000 0.491 71 F N 1.729 121.545 119.950 -0.224 0.000 2.128 71 F HA -0.056 4.472 4.527 0.001 0.000 0.295 71 F C 2.172 178.029 175.800 0.094 0.000 1.100 71 F CA 1.260 59.227 58.000 -0.055 0.000 1.260 71 F CB 0.123 39.213 39.000 0.149 0.000 1.009 71 F HN -0.230 nan 8.300 nan 0.000 0.476 72 R N 0.329 120.995 120.500 0.277 0.000 2.091 72 R HA -0.190 4.151 4.340 0.001 0.000 0.238 72 R C 2.347 178.639 176.300 -0.014 0.000 1.136 72 R CA 1.771 57.956 56.100 0.143 0.000 0.959 72 R CB -0.487 29.886 30.300 0.121 0.000 0.856 72 R HN 0.275 nan 8.270 nan 0.000 0.437 73 K N -0.028 120.359 120.400 -0.021 0.000 2.057 73 K HA -0.197 4.124 4.320 0.001 0.000 0.206 73 K C 1.936 178.512 176.600 -0.040 0.000 1.050 73 K CA 1.381 57.648 56.287 -0.034 0.000 0.935 73 K CB -0.190 32.300 32.500 -0.017 0.000 0.715 73 K HN 0.189 nan 8.250 nan 0.000 0.439 74 W N 2.189 123.313 121.300 -0.293 0.000 2.333 74 W HA -0.245 4.416 4.660 0.001 0.000 0.316 74 W C 2.167 178.570 176.519 -0.193 0.000 1.215 74 W CA 1.981 59.182 57.345 -0.238 0.000 1.278 74 W CB -0.551 28.566 29.460 -0.571 0.000 1.154 74 W HN 0.187 nan 8.180 nan 0.000 0.486 75 Q N 0.776 120.217 119.800 -0.598 0.000 2.077 75 Q HA -0.341 4.000 4.340 0.001 0.000 0.206 75 Q C 2.411 178.039 176.000 -0.619 0.000 0.989 75 Q CA 2.579 57.881 55.803 -0.836 0.000 0.853 75 Q CB -0.522 27.920 28.738 -0.493 0.000 0.907 75 Q HN 0.423 nan 8.270 nan 0.000 0.418 76 K N -0.832 119.319 120.400 -0.415 0.000 2.063 76 K HA -0.154 4.166 4.320 0.001 0.000 0.208 76 K C 1.897 178.121 176.600 -0.627 0.000 1.048 76 K CA 1.598 57.619 56.287 -0.443 0.000 0.928 76 K CB -0.457 31.899 32.500 -0.240 0.000 0.713 76 K HN 0.345 nan 8.250 nan 0.000 0.442 77 G N 1.247 109.798 108.800 -0.415 0.000 2.403 77 G HA2 -0.206 3.754 3.960 0.001 0.000 0.216 77 G HA3 -0.206 3.754 3.960 0.001 0.000 0.216 77 G C 1.451 175.795 174.900 -0.927 0.000 1.154 77 G CA 0.568 45.453 45.100 -0.357 0.000 0.784 77 G HN 0.335 nan 8.290 nan 0.000 0.538 78 L N 0.058 120.650 121.223 -1.051 0.000 2.093 78 L HA 0.076 4.416 4.340 0.001 0.000 0.208 78 L C 2.854 179.373 176.870 -0.585 0.000 1.085 78 L CA 1.543 55.802 54.840 -0.969 0.000 0.755 78 L CB -0.191 41.336 42.059 -0.887 0.000 0.904 78 L HN 0.239 nan 8.230 nan 0.000 0.435 79 R N -1.304 118.850 120.500 -0.577 0.000 2.073 79 R HA -0.206 4.135 4.340 0.001 0.000 0.234 79 R C 2.315 178.456 176.300 -0.264 0.000 1.134 79 R CA 1.658 57.508 56.100 -0.415 0.000 0.952 79 R CB -0.303 29.741 30.300 -0.428 0.000 0.850 79 R HN 0.484 nan 8.270 nan 0.000 0.433 80 H N 0.092 119.006 119.070 -0.260 0.000 2.421 80 H HA 0.059 4.615 4.556 0.001 0.000 0.298 80 H C 0.934 176.163 175.328 -0.165 0.000 1.087 80 H CA 0.911 56.847 56.048 -0.187 0.000 1.330 80 H CB -0.583 29.088 29.762 -0.151 0.000 1.388 80 H HN 0.344 nan 8.280 nan 0.000 0.526 84 E N 1.577 121.767 120.200 -0.018 0.000 2.021 84 E HA -0.131 4.219 4.350 0.001 0.000 0.200 84 E C 1.591 178.215 176.600 0.041 0.000 1.015 84 E CA 1.525 57.927 56.400 0.005 0.000 0.824 84 E CB -0.212 29.491 29.700 0.005 0.000 0.762 84 E HN 0.391 nan 8.360 nan 0.000 0.454 88 F N 3.440 123.369 119.950 -0.036 0.000 2.578 88 F HA 0.118 4.645 4.527 0.001 0.000 0.381 88 F C -0.996 174.650 175.800 -0.257 0.000 1.069 88 F CA -1.782 56.165 58.000 -0.088 0.000 1.231 88 F CB -0.341 38.761 39.000 0.170 0.000 1.086 88 F HN 0.142 nan 8.300 nan 0.000 0.564 89 P HA 0.435 nan 4.420 nan 0.000 0.276 89 P C -0.707 176.561 177.300 -0.054 0.000 1.252 89 P CA -0.276 62.647 63.100 -0.294 0.000 0.802 89 P CB 0.664 32.082 31.700 -0.469 0.000 1.035 95 P HA 0.580 nan 4.420 nan 0.000 0.270 95 P C 0.067 177.554 177.300 0.312 0.000 1.223 95 P CA -0.302 62.889 63.100 0.152 0.000 0.785 95 P CB 0.295 31.973 31.700 -0.036 0.000 0.923 96 A N 2.933 125.921 122.820 0.280 0.000 2.388 96 A HA 0.445 4.766 4.320 0.001 0.000 0.257 96 A C -2.146 175.711 177.584 0.456 0.000 1.095 96 A CA -1.226 51.007 52.037 0.328 0.000 0.791 96 A CB -0.872 18.282 19.000 0.257 0.000 1.029 96 A HN 0.414 nan 8.150 nan 0.000 0.489 97 P HA 0.232 nan 4.420 nan 0.000 0.267 97 P C -0.331 177.353 177.300 0.640 0.000 1.209 97 P CA 0.169 63.556 63.100 0.478 0.000 0.763 97 P CB 0.552 32.503 31.700 0.419 0.000 0.816 98 V N 2.132 122.313 119.914 0.444 0.000 2.769 98 V HA 0.531 4.651 4.120 0.001 0.000 0.312 98 V C -0.326 175.616 176.094 -0.253 0.000 1.058 98 V CA -1.009 61.401 62.300 0.184 0.000 0.952 98 V CB 1.757 33.652 31.823 0.120 0.000 1.019 98 V HN 0.627 nan 8.190 nan 0.000 0.445 99 C N 5.015 123.801 119.300 -0.857 0.000 2.369 99 C HA 0.629 5.089 4.460 0.001 0.000 0.358 99 C C 1.408 176.066 174.990 -0.553 0.000 1.274 99 C CA -0.097 58.187 59.018 -1.222 0.000 1.935 99 C CB -0.634 26.188 27.740 -1.529 0.000 2.431 99 C HN 0.990 nan 8.230 nan 0.000 0.545 100 I N 1.451 121.761 120.570 -0.433 0.000 3.939 100 I HA 0.428 4.598 4.170 0.001 0.000 0.313 100 I C 0.337 176.330 176.117 -0.206 0.000 1.274 100 I CA 0.144 61.297 61.300 -0.244 0.000 1.301 100 I CB -0.257 37.641 38.000 -0.170 0.000 1.105 100 I HN 0.478 nan 8.210 nan 0.000 0.427 101 K N 1.665 121.924 120.400 -0.235 0.000 2.523 101 K HA 0.638 4.958 4.320 0.001 0.000 0.257 101 K C -1.171 175.340 176.600 -0.148 0.000 0.932 101 K CA -0.621 55.570 56.287 -0.159 0.000 0.812 101 K CB 2.808 35.237 32.500 -0.118 0.000 1.326 101 K HN 0.033 nan 8.250 nan 0.000 0.433 102 R N 2.190 122.630 120.500 -0.100 0.000 2.510 102 R HA 0.278 4.619 4.340 0.001 0.000 0.294 102 R C -1.159 175.111 176.300 -0.050 0.000 1.056 102 R CA -0.688 55.378 56.100 -0.058 0.000 0.918 102 R CB 2.164 32.436 30.300 -0.046 0.000 1.187 102 R HN 0.575 nan 8.270 nan 0.000 0.437 103 E N 2.043 122.215 120.200 -0.047 0.000 2.266 103 E HA 0.148 4.498 4.350 0.001 0.000 0.268 103 E C -1.105 175.440 176.600 -0.091 0.000 0.879 103 E CA -1.119 55.242 56.400 -0.065 0.000 0.762 103 E CB 2.712 32.371 29.700 -0.068 0.000 1.199 103 E HN 0.220 nan 8.360 nan 0.000 0.422 104 Q N 2.688 122.430 119.800 -0.097 0.000 2.314 104 Q HA 0.162 4.503 4.340 0.001 0.000 0.258 104 Q C -0.678 175.203 176.000 -0.198 0.000 0.954 104 Q CA 0.243 55.969 55.803 -0.129 0.000 0.890 104 Q CB 0.589 29.275 28.738 -0.087 0.000 1.210 104 Q HN 0.322 nan 8.270 nan 0.000 0.410 105 R N 2.369 122.667 120.500 -0.336 0.000 3.018 105 R HA 0.389 4.729 4.340 0.001 0.000 0.243 105 R C -0.685 175.419 176.300 -0.327 0.000 1.315 105 R CA -0.850 54.980 56.100 -0.449 0.000 1.039 105 R CB 0.819 30.526 30.300 -0.989 0.000 1.315 105 R HN 0.713 nan 8.270 nan 0.000 0.492 106 E N 0.744 120.813 120.200 -0.218 0.000 1.941 106 E HA 0.299 4.649 4.350 0.001 0.000 0.275 106 E C 0.337 176.982 176.600 0.075 0.000 1.113 106 E CA 0.303 56.676 56.400 -0.045 0.000 0.878 106 E CB 0.362 30.067 29.700 0.008 0.000 1.070 106 E HN 0.879 nan 8.360 nan 0.000 0.399 107 G N 2.926 111.764 108.800 0.064 0.000 2.213 107 G HA2 -0.267 3.693 3.960 0.001 0.000 0.226 107 G HA3 -0.267 3.693 3.960 0.001 0.000 0.226 107 G C -0.350 174.694 174.900 0.239 0.000 0.992 107 G CA 0.274 45.465 45.100 0.151 0.000 0.632 107 G HN 0.548 nan 8.290 nan 0.000 0.511 108 Y N -0.716 119.592 120.300 0.013 0.000 2.725 108 Y HA 0.816 5.366 4.550 0.001 0.000 0.333 108 Y C -0.501 175.415 175.900 0.027 0.000 1.242 108 Y CA -1.523 56.591 58.100 0.023 0.000 1.059 108 Y CB 0.379 38.861 38.460 0.037 0.000 1.306 108 Y HN 0.478 nan 8.280 nan 0.000 0.454 109 R N 1.630 122.172 120.500 0.070 0.000 2.589 109 R HA 0.769 5.109 4.340 0.001 0.000 0.293 109 R C -1.995 174.383 176.300 0.130 0.000 0.963 109 R CA -0.968 55.120 56.100 -0.020 0.000 0.905 109 R CB 2.129 32.446 30.300 0.029 0.000 1.144 109 R HN 0.750 nan 8.270 nan 0.000 0.459 110 L N 2.138 123.389 121.223 0.047 0.000 2.280 110 L HA 0.395 4.736 4.340 0.001 0.000 0.287 110 L C -0.688 176.241 176.870 0.097 0.000 1.023 110 L CA -0.083 54.844 54.840 0.144 0.000 0.819 110 L CB 1.328 43.455 42.059 0.113 0.000 1.212 110 L HN 0.760 nan 8.230 nan 0.000 0.420 111 E N 3.828 124.122 120.200 0.157 0.000 2.232 111 E HA 0.467 4.817 4.350 0.001 0.000 0.265 111 E C -1.056 175.591 176.600 0.079 0.000 1.001 111 E CA -0.962 55.510 56.400 0.120 0.000 0.870 111 E CB 1.929 31.811 29.700 0.305 0.000 1.175 111 E HN 0.371 nan 8.360 nan 0.000 0.407 112 K N 1.619 121.973 120.400 -0.076 0.000 2.541 112 K HA 0.320 4.640 4.320 0.001 0.000 0.250 112 K C -1.978 174.420 176.600 -0.338 0.000 0.950 112 K CA -0.525 55.676 56.287 -0.143 0.000 0.805 112 K CB 0.949 33.367 32.500 -0.137 0.000 1.166 112 K HN 0.357 nan 8.250 nan 0.000 0.430 113 W N 1.987 122.881 121.300 -0.676 0.000 2.781 113 W HA 0.416 5.076 4.660 0.001 0.000 0.345 113 W C -0.258 175.857 176.519 -0.675 0.000 1.085 113 W CA -0.513 56.366 57.345 -0.777 0.000 1.198 113 W CB 1.617 30.264 29.460 -1.355 0.000 1.423 113 W HN 0.421 nan 8.180 nan 0.000 0.532 114 E N 1.650 121.736 120.200 -0.190 0.000 2.202 114 E HA 0.571 4.922 4.350 0.001 0.000 0.272 114 E C -1.113 175.298 176.600 -0.315 0.000 0.951 114 E CA -0.916 55.324 56.400 -0.267 0.000 0.813 114 E CB 1.784 31.347 29.700 -0.228 0.000 1.151 114 E HN 0.272 nan 8.360 nan 0.000 0.398 115 F N -0.657 118.858 119.950 -0.725 0.000 2.643 115 F HA 0.571 5.098 4.527 0.001 0.000 0.314 115 F C -1.512 173.722 175.800 -0.943 0.000 1.096 115 F CA -1.231 56.338 58.000 -0.717 0.000 0.953 115 F CB 0.903 39.802 39.000 -0.168 0.000 1.345 115 F HN 0.266 nan 8.300 nan 0.000 0.468 116 Y N 1.071 121.435 120.300 0.106 0.000 2.628 116 Y HA 0.383 4.934 4.550 0.001 0.000 0.354 116 Y C -2.222 173.735 175.900 0.096 0.000 1.061 116 Y CA -1.944 56.159 58.100 0.004 0.000 1.251 116 Y CB 0.734 39.220 38.460 0.043 0.000 1.098 116 Y HN 0.451 nan 8.280 nan 0.000 0.626 117 P HA 0.022 nan 4.420 nan 0.000 0.224 117 P C -0.086 177.404 177.300 0.316 0.000 1.157 117 P CA 1.023 64.256 63.100 0.222 0.000 0.799 117 P CB 1.563 33.364 31.700 0.169 0.000 0.809 118 L N -1.010 120.369 121.223 0.261 0.000 2.376 118 L HA 0.503 4.844 4.340 0.001 0.000 0.258 118 L C -2.671 174.300 176.870 0.168 0.000 1.013 118 L CA -2.834 52.152 54.840 0.243 0.000 0.822 118 L CB 2.292 44.518 42.059 0.279 0.000 1.388 118 L HN -0.379 nan 8.230 nan 0.000 0.413 119 P HA 0.091 nan 4.420 nan 0.000 0.267 119 P C -0.615 176.734 177.300 0.081 0.000 1.200 119 P CA 0.057 63.209 63.100 0.088 0.000 0.772 119 P CB 0.315 32.052 31.700 0.061 0.000 0.855 120 K N -2.335 118.101 120.400 0.061 0.000 3.274 120 K HA -0.187 4.133 4.320 0.001 0.000 0.300 120 K C -0.168 176.465 176.600 0.055 0.000 1.230 120 K CA 0.522 56.836 56.287 0.045 0.000 0.884 120 K CB -2.034 30.484 32.500 0.030 0.000 1.242 120 K HN 0.534 nan 8.250 nan 0.000 0.467 121 C N 0.312 119.661 119.300 0.081 0.000 2.482 121 C HA 0.735 5.195 4.460 0.001 0.000 0.317 121 C C -0.632 174.382 174.990 0.039 0.000 1.197 121 C CA -0.484 58.572 59.018 0.063 0.000 1.432 121 C CB 1.817 29.621 27.740 0.107 0.000 2.062 121 C HN 0.230 nan 8.230 nan 0.000 0.471 122 V N 5.859 125.749 119.914 -0.040 0.000 2.577 122 V HA 0.793 4.914 4.120 0.001 0.000 0.303 122 V C -0.318 175.579 176.094 -0.329 0.000 1.042 122 V CA 0.308 62.532 62.300 -0.127 0.000 0.872 122 V CB 1.906 33.761 31.823 0.052 0.000 0.998 122 V HN 1.096 nan 8.190 nan 0.000 0.423 123 S N 4.390 119.664 115.700 -0.711 0.000 2.677 123 S HA 0.940 5.411 4.470 0.001 0.000 0.304 123 S C -0.370 173.920 174.600 -0.518 0.000 1.108 123 S CA 0.172 57.947 58.200 -0.709 0.000 0.944 123 S CB 2.143 64.690 63.200 -1.088 0.000 1.127 123 S HN 1.294 nan 8.310 nan 0.000 0.511 124 T N 0.468 114.954 114.554 -0.114 0.000 2.903 124 T HA 0.806 5.157 4.350 0.001 0.000 0.299 124 T C -0.940 173.902 174.700 0.238 0.000 1.093 124 T CA -0.737 61.376 62.100 0.021 0.000 1.002 124 T CB 1.155 69.972 68.868 -0.084 0.000 1.127 124 T HN 0.737 nan 8.240 nan 0.000 0.488 125 F N -0.379 119.599 119.950 0.048 0.000 2.664 125 F HA 0.872 5.400 4.527 0.001 0.000 0.317 125 F C -1.832 173.963 175.800 -0.008 0.000 1.108 125 F CA -1.767 56.218 58.000 -0.025 0.000 0.957 125 F CB 1.125 40.034 39.000 -0.152 0.000 1.365 125 F HN 0.580 nan 8.300 nan 0.000 0.475 126 L N 1.669 123.006 121.223 0.191 0.000 2.322 126 L HA 0.886 5.227 4.340 0.001 0.000 0.269 126 L C -1.049 175.956 176.870 0.224 0.000 1.012 126 L CA -1.425 53.498 54.840 0.138 0.000 0.815 126 L CB 2.140 44.263 42.059 0.106 0.000 1.295 126 L HN 0.577 nan 8.230 nan 0.000 0.438 127 V N 2.509 122.560 119.914 0.228 0.000 2.733 127 V HA 0.405 4.526 4.120 0.001 0.000 0.306 127 V C -0.920 175.329 176.094 0.257 0.000 1.084 127 V CA -0.488 61.971 62.300 0.265 0.000 0.905 127 V CB 2.165 34.203 31.823 0.358 0.000 1.010 127 V HN 0.374 nan 8.190 nan 0.000 0.424 128 L N 5.929 127.287 121.223 0.225 0.000 2.316 128 L HA 0.616 4.956 4.340 0.001 0.000 0.280 128 L C -0.445 176.550 176.870 0.209 0.000 1.006 128 L CA 0.097 55.084 54.840 0.246 0.000 0.836 128 L CB 1.312 43.391 42.059 0.033 0.000 1.221 128 L HN 0.479 nan 8.230 nan 0.000 0.418 129 I N 4.607 125.340 120.570 0.272 0.000 2.382 129 I HA 0.388 4.558 4.170 0.001 0.000 0.285 129 I C -2.228 174.003 176.117 0.190 0.000 1.007 129 I CA -2.032 59.385 61.300 0.195 0.000 1.142 129 I CB 1.708 39.818 38.000 0.182 0.000 1.289 129 I HN 0.316 nan 8.210 nan 0.000 0.453 130 P HA 0.026 nan 4.420 nan 0.000 0.265 130 P C -0.836 176.505 177.300 0.068 0.000 1.193 130 P CA -0.035 63.132 63.100 0.112 0.000 0.765 130 P CB 0.415 32.140 31.700 0.041 0.000 0.823 131 D N 2.625 123.065 120.400 0.068 0.000 2.414 131 D HA 0.042 4.682 4.640 0.001 0.000 0.242 131 D C 0.406 176.702 176.300 -0.006 0.000 1.129 131 D CA 0.753 54.767 54.000 0.023 0.000 0.885 131 D CB -0.344 40.469 40.800 0.021 0.000 1.198 131 D HN 0.311 nan 8.370 nan 0.000 0.437 132 N N 0.782 119.464 118.700 -0.030 0.000 2.771 132 N HA -0.189 4.551 4.740 0.001 0.000 0.249 132 N C -0.757 174.714 175.510 -0.066 0.000 1.069 132 N CA 0.281 53.305 53.050 -0.044 0.000 0.688 132 N CB -1.513 36.960 38.487 -0.023 0.000 0.928 132 N HN 0.484 nan 8.380 nan 0.000 0.551 133 I N 0.465 120.960 120.570 -0.125 0.000 2.452 133 I HA 0.000 4.171 4.170 0.001 0.000 0.287 133 I C 1.654 177.691 176.117 -0.133 0.000 1.079 133 I CA -0.014 61.197 61.300 -0.148 0.000 1.387 133 I CB 0.819 38.672 38.000 -0.246 0.000 1.404 133 I HN 0.197 nan 8.210 nan 0.000 0.522 134 N N 5.832 124.508 118.700 -0.041 0.000 2.324 134 N HA 0.047 4.787 4.740 0.001 0.000 0.192 134 N C 0.568 176.114 175.510 0.061 0.000 1.046 134 N CA 1.116 54.169 53.050 0.006 0.000 0.898 134 N CB 0.188 38.676 38.487 0.002 0.000 1.079 134 N HN 0.538 nan 8.380 nan 0.000 0.456 135 K N 0.777 121.205 120.400 0.047 0.000 2.139 135 K HA 0.570 4.891 4.320 0.001 0.000 0.243 135 K C -2.637 174.009 176.600 0.078 0.000 0.983 135 K CA -1.700 54.621 56.287 0.057 0.000 0.890 135 K CB -0.594 31.917 32.500 0.018 0.000 1.090 135 K HN 0.205 nan 8.250 nan 0.000 0.445 136 P HA 0.167 nan 4.420 nan 0.000 0.264 136 P C -0.671 176.641 177.300 0.019 0.000 1.193 136 P CA -0.301 62.825 63.100 0.043 0.000 0.763 136 P CB 0.886 32.575 31.700 -0.018 0.000 0.810 137 V N 5.558 125.491 119.914 0.032 0.000 2.815 137 V HA 0.539 4.659 4.120 0.001 0.000 0.314 137 V C -2.302 173.808 176.094 0.027 0.000 1.064 137 V CA -2.931 59.390 62.300 0.034 0.000 0.952 137 V CB 1.911 33.766 31.823 0.053 0.000 1.020 137 V HN 0.409 nan 8.190 nan 0.000 0.439 138 P HA 0.322 nan 4.420 nan 0.000 0.270 138 P C -1.290 176.013 177.300 0.005 0.000 1.227 138 P CA 0.091 63.178 63.100 -0.021 0.000 0.788 138 P CB 0.500 32.177 31.700 -0.037 0.000 0.926 139 A N 1.817 124.586 122.820 -0.085 0.000 2.422 139 A HA 0.698 5.019 4.320 0.001 0.000 0.302 139 A C -1.219 176.262 177.584 -0.171 0.000 1.041 139 A CA -0.637 51.355 52.037 -0.074 0.000 0.708 139 A CB 0.949 19.920 19.000 -0.048 0.000 1.257 139 A HN 0.561 nan 8.150 nan 0.000 0.414 140 I N 2.835 123.286 120.570 -0.198 0.000 2.411 140 I HA 0.450 4.621 4.170 0.001 0.000 0.284 140 I C -1.288 174.721 176.117 -0.179 0.000 1.012 140 I CA -1.093 60.025 61.300 -0.304 0.000 1.119 140 I CB 1.159 38.747 38.000 -0.686 0.000 1.261 140 I HN 0.654 nan 8.210 nan 0.000 0.448 141 L N 9.029 130.168 121.223 -0.140 0.000 2.369 141 L HA 0.334 4.675 4.340 0.001 0.000 0.279 141 L C -0.910 175.925 176.870 -0.059 0.000 1.108 141 L CA 0.244 55.028 54.840 -0.094 0.000 0.852 141 L CB 0.109 42.106 42.059 -0.102 0.000 1.169 141 L HN 0.654 nan 8.230 nan 0.000 0.452 142 C N 6.690 125.976 119.300 -0.024 0.000 2.264 142 C HA 0.550 5.011 4.460 0.001 0.000 0.324 142 C C 0.277 175.271 174.990 0.008 0.000 1.267 142 C CA -1.026 57.998 59.018 0.009 0.000 1.618 142 C CB -0.525 27.242 27.740 0.046 0.000 2.278 142 C HN 0.662 nan 8.230 nan 0.000 0.499 143 I N 6.660 127.247 120.570 0.028 0.000 2.378 143 I HA 0.384 4.554 4.170 0.001 0.000 0.291 143 I C -1.972 174.198 176.117 0.089 0.000 0.992 143 I CA -1.666 59.661 61.300 0.045 0.000 1.154 143 I CB 2.000 40.025 38.000 0.042 0.000 1.315 143 I HN 0.395 nan 8.210 nan 0.000 0.448 144 P HA 0.304 nan 4.420 nan 0.000 0.293 144 P C -0.157 177.291 177.300 0.247 0.000 1.304 144 P CA -0.169 63.037 63.100 0.176 0.000 0.767 144 P CB 1.144 32.925 31.700 0.134 0.000 1.247 145 G N -0.837 108.193 108.800 0.384 0.000 2.702 145 G HA2 0.333 4.293 3.960 0.001 0.000 0.254 145 G HA3 0.333 4.293 3.960 0.001 0.000 0.254 145 G C -0.429 174.620 174.900 0.249 0.000 1.380 145 G CA -0.497 44.783 45.100 0.300 0.000 1.042 145 G HN 0.524 nan 8.290 nan 0.000 0.557 146 S N -0.994 114.823 115.700 0.195 0.000 2.552 146 S HA 0.380 4.850 4.470 0.001 0.000 0.289 146 S C 1.568 176.376 174.600 0.347 0.000 1.304 146 S CA 1.139 59.458 58.200 0.199 0.000 1.063 146 S CB -0.120 63.160 63.200 0.133 0.000 0.848 146 S HN 2.200 nan 8.310 nan 0.000 0.499 147 G N 3.216 112.336 108.800 0.534 0.000 2.212 147 G HA2 -0.175 3.785 3.960 0.001 0.000 0.267 147 G HA3 -0.175 3.785 3.960 0.001 0.000 0.267 147 G C 0.428 175.611 174.900 0.471 0.000 1.002 147 G CA 0.367 45.801 45.100 0.556 0.000 0.729 147 G HN 1.200 nan 8.290 nan 0.000 0.517 148 G N -0.601 108.430 108.800 0.385 0.000 2.537 148 G HA2 0.789 4.750 3.960 0.001 0.000 0.323 148 G HA3 0.789 4.750 3.960 0.001 0.000 0.323 148 G C -0.522 174.494 174.900 0.194 0.000 1.207 148 G CA -0.124 45.136 45.100 0.267 0.000 0.976 148 G HN 1.118 nan 8.290 nan 0.000 0.487 149 N N -2.283 116.497 118.700 0.134 0.000 2.610 149 N HA 0.224 4.964 4.740 0.001 0.000 0.264 149 N C 0.690 176.235 175.510 0.058 0.000 1.348 149 N CA -0.810 52.282 53.050 0.071 0.000 0.819 149 N CB 1.703 40.219 38.487 0.048 0.000 1.521 149 N HN 0.571 nan 8.380 nan 0.000 0.497 150 K N -0.438 119.985 120.400 0.039 0.000 2.211 150 K HA -0.156 4.164 4.320 0.001 0.000 0.204 150 K C 0.365 176.987 176.600 0.036 0.000 1.047 150 K CA 1.600 57.912 56.287 0.041 0.000 0.935 150 K CB -0.142 32.388 32.500 0.049 0.000 0.728 150 K HN 0.501 nan 8.250 nan 0.000 0.452 151 E N 1.157 121.371 120.200 0.024 0.000 2.072 151 E HA -0.067 4.283 4.350 0.001 0.000 0.191 151 E C 2.226 178.844 176.600 0.030 0.000 0.985 151 E CA 1.447 57.850 56.400 0.005 0.000 0.801 151 E CB -0.589 29.086 29.700 -0.041 0.000 0.750 151 E HN 0.566 nan 8.360 nan 0.000 0.452 152 G N 0.752 109.590 108.800 0.062 0.000 2.440 152 G HA2 -0.248 3.712 3.960 0.001 0.000 0.218 152 G HA3 -0.248 3.712 3.960 0.001 0.000 0.218 152 G C 1.471 176.402 174.900 0.051 0.000 1.154 152 G CA 0.693 45.854 45.100 0.101 0.000 0.767 152 G HN 0.181 nan 8.290 nan 0.000 0.552 153 L N 0.401 121.635 121.223 0.018 0.000 2.201 153 L HA 0.022 4.362 4.340 0.001 0.000 0.212 153 L C 3.005 179.867 176.870 -0.013 0.000 1.105 153 L CA 0.834 55.656 54.840 -0.030 0.000 0.775 153 L CB -0.186 41.855 42.059 -0.029 0.000 0.913 153 L HN 0.337 nan 8.230 nan 0.000 0.440 154 A N -0.655 122.183 122.820 0.030 0.000 2.308 154 A HA 0.357 4.678 4.320 0.001 0.000 0.217 154 A C 1.646 179.279 177.584 0.082 0.000 1.216 154 A CA 0.575 52.645 52.037 0.054 0.000 0.864 154 A CB -0.134 18.916 19.000 0.084 0.000 0.902 154 A HN 0.453 nan 8.150 nan 0.000 0.499 155 G N -0.282 108.572 108.800 0.091 0.000 2.176 155 G HA2 -0.192 3.768 3.960 0.001 0.000 0.252 155 G HA3 -0.192 3.768 3.960 0.001 0.000 0.252 155 G C -0.269 174.738 174.900 0.179 0.000 1.024 155 G CA 0.412 45.608 45.100 0.159 0.000 0.755 155 G HN 0.474 nan 8.290 nan 0.000 0.507 156 E N 0.322 120.550 120.200 0.047 0.000 2.221 156 E HA 0.498 4.848 4.350 0.001 0.000 0.268 156 E C -2.228 174.051 176.600 -0.535 0.000 0.933 156 E CA -1.916 54.397 56.400 -0.145 0.000 0.809 156 E CB 2.108 31.759 29.700 -0.081 0.000 1.190 156 E HN 0.198 nan 8.360 nan 0.000 0.406 157 P HA 0.097 nan 4.420 nan 0.000 0.274 157 P C 0.246 177.304 177.300 -0.404 0.000 1.256 157 P CA -0.233 62.238 63.100 -1.048 0.000 0.795 157 P CB 0.546 31.809 31.700 -0.727 0.000 1.038 158 G N -0.092 108.565 108.800 -0.239 0.000 2.611 158 G HA2 0.207 4.167 3.960 0.001 0.000 0.273 158 G HA3 0.207 4.167 3.960 0.001 0.000 0.273 158 G C 1.120 175.965 174.900 -0.093 0.000 1.305 158 G CA -0.642 44.399 45.100 -0.098 0.000 1.010 158 G HN 0.424 nan 8.290 nan 0.000 0.509 159 I N 0.156 120.689 120.570 -0.062 0.000 2.584 159 I HA 0.146 4.316 4.170 0.001 0.000 0.255 159 I C 1.482 177.560 176.117 -0.065 0.000 1.145 159 I CA 0.796 62.057 61.300 -0.064 0.000 1.462 159 I CB -0.047 37.917 38.000 -0.058 0.000 1.102 159 I HN 0.378 nan 8.210 nan 0.000 0.433 160 A N 0.211 122.995 122.820 -0.061 0.000 2.401 160 A HA 0.530 4.850 4.320 0.001 0.000 0.310 160 A C -1.981 175.578 177.584 -0.042 0.000 1.075 160 A CA -1.403 50.591 52.037 -0.072 0.000 0.746 160 A CB 0.921 19.847 19.000 -0.122 0.000 1.277 160 A HN -0.159 nan 8.150 nan 0.000 0.425 161 P HA -0.242 nan 4.420 nan 0.000 0.217 161 P C 0.969 178.277 177.300 0.014 0.000 1.158 161 P CA 1.837 64.936 63.100 -0.001 0.000 0.887 161 P CB 0.146 31.846 31.700 0.000 0.000 0.792 162 K N -1.060 119.338 120.400 -0.003 0.000 2.365 162 K HA 0.021 4.342 4.320 0.001 0.000 0.199 162 K C 1.581 178.195 176.600 0.024 0.000 1.045 162 K CA 0.692 56.981 56.287 0.003 0.000 0.962 162 K CB -0.329 32.160 32.500 -0.017 0.000 0.759 162 K HN 0.238 nan 8.250 nan 0.000 0.469 163 L N 1.342 122.588 121.223 0.038 0.000 2.611 163 L HA 0.061 4.402 4.340 0.001 0.000 0.229 163 L C -0.246 176.685 176.870 0.102 0.000 1.137 163 L CA -0.388 54.511 54.840 0.098 0.000 0.901 163 L CB -0.384 41.725 42.059 0.084 0.000 1.098 163 L HN 0.043 nan 8.230 nan 0.000 0.456 164 N N 1.067 119.823 118.700 0.092 0.000 2.483 164 N HA 0.053 4.793 4.740 0.001 0.000 0.264 164 N C -0.227 175.396 175.510 0.188 0.000 1.197 164 N CA 0.231 53.371 53.050 0.149 0.000 0.927 164 N CB 0.721 39.336 38.487 0.212 0.000 1.065 164 N HN 0.033 nan 8.380 nan 0.000 0.461 165 D N -0.315 120.227 120.400 0.236 0.000 2.487 165 D HA 0.250 4.890 4.640 0.001 0.000 0.262 165 D C -0.418 175.996 176.300 0.191 0.000 1.130 165 D CA -0.566 53.551 54.000 0.196 0.000 1.038 165 D CB 0.929 41.836 40.800 0.178 0.000 1.142 165 D HN 0.039 nan 8.370 nan 0.000 0.575 166 R N 1.184 121.740 120.500 0.092 0.000 3.206 166 R HA 0.076 4.417 4.340 0.001 0.000 0.209 166 R C 0.441 176.742 176.300 0.002 0.000 1.632 166 R CA 0.088 56.184 56.100 -0.008 0.000 1.234 166 R CB -1.978 28.308 30.300 -0.023 0.000 1.270 166 R HN 0.475 nan 8.270 nan 0.000 0.665 167 Y N -0.843 119.455 120.300 -0.002 0.000 2.475 167 Y HA 0.248 4.798 4.550 0.001 0.000 0.289 167 Y C 1.446 177.337 175.900 -0.015 0.000 1.121 167 Y CA 0.682 58.778 58.100 -0.007 0.000 1.257 167 Y CB 0.065 38.529 38.460 0.007 0.000 1.026 167 Y HN 0.338 nan 8.280 nan 0.000 0.555 168 K N 1.121 121.260 120.400 -0.434 0.000 3.127 168 K HA 0.348 4.668 4.320 0.001 0.000 0.236 168 K C -1.061 175.428 176.600 -0.186 0.000 1.271 168 K CA 0.181 56.298 56.287 -0.284 0.000 1.224 168 K CB -0.603 31.657 32.500 -0.401 0.000 1.482 168 K HN 0.464 nan 8.250 nan 0.000 0.435 169 D N 0.497 120.818 120.400 -0.130 0.000 2.328 169 D HA 0.214 4.854 4.640 0.001 0.000 0.243 169 D C -1.959 174.272 176.300 -0.115 0.000 1.324 169 D CA -1.902 52.024 54.000 -0.123 0.000 0.966 169 D CB 1.877 42.604 40.800 -0.122 0.000 1.324 169 D HN 0.045 nan 8.370 nan 0.000 0.549 170 P HA -0.183 nan 4.420 nan 0.000 0.223 170 P C 0.917 178.146 177.300 -0.117 0.000 1.140 170 P CA 0.744 63.783 63.100 -0.101 0.000 0.783 170 P CB 0.351 31.999 31.700 -0.087 0.000 0.759 171 K N -0.751 119.543 120.400 -0.176 0.000 2.280 171 K HA -0.022 4.298 4.320 0.001 0.000 0.202 171 K C 1.836 178.368 176.600 -0.112 0.000 1.047 171 K CA 0.878 57.028 56.287 -0.228 0.000 0.942 171 K CB -0.154 32.058 32.500 -0.480 0.000 0.739 171 K HN 0.273 nan 8.250 nan 0.000 0.457 172 L N -0.377 120.760 121.223 -0.142 0.000 2.717 172 L HA 0.032 4.372 4.340 0.001 0.000 0.239 172 L C 0.850 177.601 176.870 -0.199 0.000 1.086 172 L CA -0.020 54.700 54.840 -0.199 0.000 0.897 172 L CB 0.539 42.496 42.059 -0.170 0.000 1.214 172 L HN 0.040 nan 8.230 nan 0.000 0.508 173 T N -2.094 112.372 114.554 -0.146 0.000 4.282 173 T HA 0.042 4.392 4.350 0.001 0.000 0.231 173 T C 0.966 175.524 174.700 -0.236 0.000 1.004 173 T CA -0.117 61.901 62.100 -0.137 0.000 1.146 173 T CB 0.132 68.954 68.868 -0.077 0.000 1.285 173 T HN 0.247 nan 8.240 nan 0.000 0.971 174 Q N 1.580 121.171 119.800 -0.349 0.000 1.998 174 Q HA -0.215 4.126 4.340 0.001 0.000 0.209 174 Q C 2.662 178.479 176.000 -0.305 0.000 1.002 174 Q CA 1.934 57.426 55.803 -0.518 0.000 0.858 174 Q CB -0.598 27.835 28.738 -0.507 0.000 0.932 174 Q HN 0.892 nan 8.270 nan 0.000 0.416 175 A N 0.590 123.374 122.820 -0.060 0.000 1.972 175 A HA -0.172 4.148 4.320 0.001 0.000 0.219 175 A C 2.032 179.598 177.584 -0.030 0.000 1.169 175 A CA 1.216 53.299 52.037 0.076 0.000 0.635 175 A CB -0.575 18.466 19.000 0.068 0.000 0.810 175 A HN 0.351 nan 8.150 nan 0.000 0.446 176 L N 0.522 121.681 121.223 -0.106 0.000 2.046 176 L HA -0.153 4.188 4.340 0.001 0.000 0.208 176 L C 1.722 178.484 176.870 -0.180 0.000 1.077 176 L CA 2.319 57.065 54.840 -0.157 0.000 0.747 176 L CB -0.906 41.106 42.059 -0.078 0.000 0.896 176 L HN 0.338 nan 8.230 nan 0.000 0.432 177 N N -0.711 117.852 118.700 -0.228 0.000 2.166 177 N HA -0.166 4.575 4.740 0.001 0.000 0.186 177 N C 1.636 177.033 175.510 -0.188 0.000 1.019 177 N CA 1.562 54.456 53.050 -0.259 0.000 0.856 177 N CB -0.460 37.800 38.487 -0.378 0.000 0.993 177 N HN 0.348 nan 8.380 nan 0.000 0.426 178 F N -0.086 119.902 119.950 0.063 0.000 2.367 178 F HA 0.079 4.607 4.527 0.001 0.000 0.298 178 F C 2.303 178.167 175.800 0.106 0.000 1.094 178 F CA 0.093 58.212 58.000 0.199 0.000 1.409 178 F CB -0.855 38.268 39.000 0.206 0.000 1.064 178 F HN -0.135 nan 8.300 nan 0.000 0.528 179 V N 0.359 120.324 119.914 0.083 0.000 2.548 179 V HA -0.219 3.902 4.120 0.001 0.000 0.249 179 V C 2.129 178.148 176.094 -0.124 0.000 1.055 179 V CA 1.758 64.004 62.300 -0.089 0.000 1.065 179 V CB -0.300 31.288 31.823 -0.392 0.000 0.681 179 V HN 0.242 nan 8.190 nan 0.000 0.462 180 K N -0.266 120.062 120.400 -0.120 0.000 2.209 180 K HA -0.101 4.219 4.320 0.001 0.000 0.204 180 K C 1.742 178.295 176.600 -0.079 0.000 1.048 180 K CA 1.249 57.489 56.287 -0.078 0.000 0.940 180 K CB -0.045 32.419 32.500 -0.060 0.000 0.729 180 K HN 0.421 nan 8.250 nan 0.000 0.451 181 E N -0.585 119.559 120.200 -0.095 0.000 2.489 181 E HA 0.017 4.368 4.350 0.001 0.000 0.193 181 E C 1.099 177.397 176.600 -0.503 0.000 1.057 181 E CA 0.590 56.847 56.400 -0.239 0.000 0.866 181 E CB 0.764 30.376 29.700 -0.146 0.000 0.916 181 E HN 0.489 nan 8.360 nan 0.000 0.500 182 G N 0.608 109.212 108.800 -0.327 0.000 2.176 182 G HA2 -0.265 3.695 3.960 0.001 0.000 0.232 182 G HA3 -0.265 3.695 3.960 0.001 0.000 0.232 182 G C -0.056 174.717 174.900 -0.212 0.000 0.986 182 G CA 0.020 44.958 45.100 -0.270 0.000 0.643 182 G HN 0.188 nan 8.290 nan 0.000 0.522 183 Y N 0.276 120.600 120.300 0.041 0.000 2.316 183 Y HA 0.673 5.223 4.550 0.001 0.000 0.324 183 Y C 1.379 177.296 175.900 0.029 0.000 1.267 183 Y CA -1.333 56.782 58.100 0.025 0.000 1.311 183 Y CB 0.561 39.034 38.460 0.022 0.000 1.267 183 Y HN 0.093 nan 8.280 nan 0.000 0.516 184 I N 2.180 122.864 120.570 0.191 0.000 2.416 184 I HA 0.352 4.522 4.170 0.001 0.000 0.288 184 I C -0.091 176.103 176.117 0.127 0.000 1.051 184 I CA -0.352 61.031 61.300 0.137 0.000 1.375 184 I CB 0.482 38.550 38.000 0.112 0.000 1.407 184 I HN 0.669 nan 8.210 nan 0.000 0.516 185 A N 7.088 129.988 122.820 0.133 0.000 2.303 185 A HA 0.670 4.990 4.320 0.001 0.000 0.320 185 A C -0.704 176.952 177.584 0.119 0.000 1.192 185 A CA -0.446 51.666 52.037 0.126 0.000 0.821 185 A CB 1.133 20.229 19.000 0.160 0.000 1.188 185 A HN 0.451 nan 8.150 nan 0.000 0.492 186 V N 2.381 122.342 119.914 0.079 0.000 2.357 186 V HA 0.623 4.744 4.120 0.001 0.000 0.284 186 V C 0.375 176.493 176.094 0.041 0.000 1.018 186 V CA -0.231 62.112 62.300 0.072 0.000 0.841 186 V CB 1.261 33.082 31.823 -0.003 0.000 0.991 186 V HN 1.114 nan 8.190 nan 0.000 0.437 187 A N 5.582 128.451 122.820 0.081 0.000 2.287 187 A HA 0.850 5.171 4.320 0.001 0.000 0.317 187 A C -0.325 177.303 177.584 0.075 0.000 1.220 187 A CA -0.497 51.577 52.037 0.061 0.000 0.835 187 A CB 1.295 20.335 19.000 0.067 0.000 1.180 187 A HN 1.131 nan 8.150 nan 0.000 0.500 188 V N -0.181 119.754 119.914 0.035 0.000 2.994 188 V HA 0.684 4.804 4.120 0.001 0.000 0.318 188 V C -0.514 175.607 176.094 0.044 0.000 1.085 188 V CA -0.977 61.350 62.300 0.045 0.000 0.998 188 V CB 1.632 33.441 31.823 -0.023 0.000 1.063 188 V HN 0.704 nan 8.190 nan 0.000 0.447 189 D N 1.245 121.672 120.400 0.045 0.000 2.387 189 D HA 0.436 5.076 4.640 0.001 0.000 0.255 189 D C -0.651 175.663 176.300 0.023 0.000 1.081 189 D CA -0.289 53.727 54.000 0.026 0.000 0.994 189 D CB 1.158 41.956 40.800 -0.002 0.000 1.127 189 D HN 0.664 nan 8.370 nan 0.000 0.513 190 N N 0.423 119.156 118.700 0.054 0.000 2.456 190 N HA 0.382 5.122 4.740 0.001 0.000 0.296 190 N C -2.490 173.083 175.510 0.105 0.000 1.102 190 N CA -1.290 51.824 53.050 0.106 0.000 0.924 190 N CB 1.095 39.730 38.487 0.247 0.000 1.186 190 N HN -0.009 nan 8.380 nan 0.000 0.492 191 P HA 0.104 nan 4.420 nan 0.000 0.269 191 P C 0.047 177.484 177.300 0.228 0.000 1.209 191 P CA 0.430 63.592 63.100 0.102 0.000 0.776 191 P CB 0.626 32.348 31.700 0.037 0.000 0.876 192 A N 0.613 123.463 122.820 0.050 0.000 3.384 192 A HA -0.038 4.283 4.320 0.001 0.000 0.260 192 A C 0.674 177.998 177.584 -0.433 0.000 1.168 192 A CA 1.043 53.017 52.037 -0.104 0.000 1.253 192 A CB -2.375 16.604 19.000 -0.035 0.000 1.122 192 A HN 0.791 nan 8.150 nan 0.000 0.934 193 A N -1.512 121.016 122.820 -0.486 0.000 2.356 193 A HA 0.876 5.196 4.320 0.001 0.000 0.323 193 A C 1.762 178.964 177.584 -0.636 0.000 1.119 193 A CA 1.075 52.488 52.037 -1.039 0.000 0.790 193 A CB 0.499 19.139 19.000 -0.600 0.000 1.273 193 A HN 2.471 nan 8.150 nan 0.000 0.452 194 G N 0.711 109.089 108.800 -0.704 0.000 2.634 194 G HA2 -0.392 3.568 3.960 0.001 0.000 0.318 194 G HA3 -0.392 3.568 3.960 0.001 0.000 0.318 194 G C 1.033 175.864 174.900 -0.115 0.000 1.207 194 G CA 1.126 46.111 45.100 -0.192 0.000 0.987 194 G HN 1.093 nan 8.290 nan 0.000 0.547 195 E N 1.167 121.315 120.200 -0.086 0.000 2.347 195 E HA 0.276 4.627 4.350 0.001 0.000 0.196 195 E C 2.496 179.051 176.600 -0.075 0.000 1.008 195 E CA 1.118 57.477 56.400 -0.068 0.000 0.852 195 E CB -0.310 29.356 29.700 -0.057 0.000 0.783 195 E HN 0.779 nan 8.360 nan 0.000 0.505 196 A N 0.801 123.561 122.820 -0.099 0.000 2.307 196 A HA 0.102 4.422 4.320 0.001 0.000 0.218 196 A C 0.882 178.409 177.584 -0.093 0.000 1.228 196 A CA 0.140 52.127 52.037 -0.084 0.000 0.857 196 A CB -0.140 18.818 19.000 -0.070 0.000 0.897 196 A HN 0.267 nan 8.150 nan 0.000 0.495 197 S N -0.978 114.655 115.700 -0.112 0.000 2.645 197 S HA 0.356 4.827 4.470 0.001 0.000 0.266 197 S C 0.445 175.048 174.600 0.005 0.000 1.258 197 S CA 0.210 58.373 58.200 -0.063 0.000 0.990 197 S CB 1.357 64.566 63.200 0.015 0.000 0.967 197 S HN 0.315 nan 8.310 nan 0.000 0.556 198 D N -0.349 120.079 120.400 0.047 0.000 2.799 198 D HA 0.243 4.883 4.640 0.001 0.000 0.267 198 D C 1.028 177.392 176.300 0.106 0.000 1.468 198 D CA 0.434 54.470 54.000 0.060 0.000 1.077 198 D CB -0.166 40.666 40.800 0.053 0.000 1.065 198 D HN 0.520 nan 8.370 nan 0.000 0.359 199 L N 0.351 121.655 121.223 0.134 0.000 2.906 199 L HA 0.320 4.660 4.340 0.001 0.000 0.255 199 L C 0.991 177.976 176.870 0.191 0.000 1.166 199 L CA 0.023 55.000 54.840 0.229 0.000 0.977 199 L CB 0.559 42.736 42.059 0.196 0.000 1.313 199 L HN -0.049 nan 8.230 nan 0.000 0.549 200 E N 0.910 121.178 120.200 0.113 0.000 2.268 200 E HA -0.172 4.179 4.350 0.001 0.000 0.195 200 E C 2.115 178.723 176.600 0.015 0.000 0.995 200 E CA 0.600 57.035 56.400 0.058 0.000 0.836 200 E CB -0.064 29.659 29.700 0.039 0.000 0.763 200 E HN 0.403 nan 8.360 nan 0.000 0.491 201 R N -0.159 120.315 120.500 -0.044 0.000 2.235 201 R HA -0.101 4.239 4.340 0.001 0.000 0.213 201 R C 0.840 177.006 176.300 -0.225 0.000 1.059 201 R CA 1.135 57.131 56.100 -0.173 0.000 0.997 201 R CB -0.282 29.833 30.300 -0.307 0.000 0.884 201 R HN 0.277 nan 8.270 nan 0.000 0.462 202 Y N 1.105 121.414 120.300 0.016 0.000 2.497 202 Y HA 0.106 4.656 4.550 0.001 0.000 0.265 202 Y C 2.223 178.126 175.900 0.005 0.000 1.111 202 Y CA 1.002 59.108 58.100 0.010 0.000 1.288 202 Y CB 0.785 39.251 38.460 0.010 0.000 1.082 202 Y HN 0.314 nan 8.280 nan 0.000 0.536 203 T N -4.105 110.533 114.554 0.139 0.000 3.425 203 T HA 0.143 4.494 4.350 0.001 0.000 0.225 203 T C 1.220 175.935 174.700 0.025 0.000 0.992 203 T CA 0.011 62.158 62.100 0.079 0.000 1.174 203 T CB -0.542 68.373 68.868 0.078 0.000 1.240 203 T HN 0.062 nan 8.240 nan 0.000 0.350 204 L N 1.734 122.955 121.223 -0.003 0.000 2.592 204 L HA 0.474 4.815 4.340 0.001 0.000 0.227 204 L C 2.003 178.809 176.870 -0.107 0.000 1.127 204 L CA 0.339 55.151 54.840 -0.047 0.000 0.884 204 L CB -0.719 41.308 42.059 -0.053 0.000 1.065 204 L HN 0.878 nan 8.230 nan 0.000 0.457 205 G N 1.239 109.972 108.800 -0.112 0.000 2.574 205 G HA2 -0.440 3.521 3.960 0.001 0.000 0.301 205 G HA3 -0.440 3.521 3.960 0.001 0.000 0.301 205 G C 0.878 175.545 174.900 -0.389 0.000 1.166 205 G CA 0.599 45.610 45.100 -0.149 0.000 0.971 205 G HN 0.435 nan 8.290 nan 0.000 0.542 206 S N 0.649 116.125 115.700 -0.373 0.000 2.671 206 S HA 0.239 4.709 4.470 0.001 0.000 0.220 206 S C 0.812 175.020 174.600 -0.654 0.000 0.951 206 S CA 1.007 58.835 58.200 -0.620 0.000 0.932 206 S CB 0.139 63.263 63.200 -0.126 0.000 0.777 206 S HN 0.786 nan 8.310 nan 0.000 0.508 207 N N 1.793 120.204 118.700 -0.481 0.000 3.083 207 N HA 0.215 4.956 4.740 0.001 0.000 0.260 207 N C -1.556 173.802 175.510 -0.254 0.000 1.163 207 N CA -0.558 52.357 53.050 -0.225 0.000 1.060 207 N CB -0.379 38.057 38.487 -0.086 0.000 1.345 207 N HN 0.296 nan 8.380 nan 0.000 0.515 208 Y N 0.052 120.315 120.300 -0.062 0.000 2.346 208 Y HA 0.117 4.668 4.550 0.001 0.000 0.330 208 Y C 1.089 176.853 175.900 -0.228 0.000 1.178 208 Y CA -0.624 57.327 58.100 -0.249 0.000 1.331 208 Y CB 0.567 38.663 38.460 -0.607 0.000 1.253 208 Y HN 0.256 nan 8.280 nan 0.000 0.529 209 D N 2.372 122.777 120.400 0.008 0.000 2.551 209 D HA 0.014 4.655 4.640 0.001 0.000 0.223 209 D C 0.146 176.472 176.300 0.044 0.000 1.144 209 D CA 0.239 54.267 54.000 0.047 0.000 1.025 209 D CB -0.347 40.492 40.800 0.065 0.000 1.085 209 D HN 0.508 nan 8.370 nan 0.000 0.506 210 Y N 0.610 120.964 120.300 0.090 0.000 2.293 210 Y HA -0.107 4.443 4.550 0.001 0.000 0.291 210 Y C 2.031 177.918 175.900 -0.023 0.000 1.137 210 Y CA 0.700 58.808 58.100 0.013 0.000 1.202 210 Y CB 0.178 38.548 38.460 -0.150 0.000 0.990 210 Y HN 0.280 nan 8.280 nan 0.000 0.537 211 D N -0.777 119.716 120.400 0.154 0.000 2.149 211 D HA -0.148 4.493 4.640 0.001 0.000 0.201 211 D C 2.318 178.674 176.300 0.093 0.000 0.972 211 D CA 1.004 55.054 54.000 0.084 0.000 0.835 211 D CB -0.403 40.439 40.800 0.070 0.000 0.966 211 D HN 0.238 nan 8.370 nan 0.000 0.476 212 V N 0.527 120.509 119.914 0.113 0.000 2.548 212 V HA -0.152 3.968 4.120 0.001 0.000 0.249 212 V C 2.318 178.545 176.094 0.221 0.000 1.055 212 V CA 0.949 63.326 62.300 0.129 0.000 1.065 212 V CB 0.009 31.910 31.823 0.130 0.000 0.681 212 V HN -0.023 nan 8.190 nan 0.000 0.462 213 V N 0.084 120.123 119.914 0.208 0.000 2.427 213 V HA -0.193 3.927 4.120 0.001 0.000 0.248 213 V C 2.626 178.841 176.094 0.202 0.000 1.051 213 V CA 2.342 64.766 62.300 0.207 0.000 1.048 213 V CB -0.592 31.337 31.823 0.176 0.000 0.666 213 V HN 0.628 nan 8.190 nan 0.000 0.456 214 S N -0.168 115.651 115.700 0.199 0.000 2.382 214 S HA -0.219 4.251 4.470 0.001 0.000 0.228 214 S C 2.091 176.755 174.600 0.107 0.000 1.027 214 S CA 1.573 59.870 58.200 0.163 0.000 0.991 214 S CB -0.367 62.891 63.200 0.098 0.000 0.823 214 S HN 0.484 nan 8.310 nan 0.000 0.469 215 R N 0.873 121.422 120.500 0.082 0.000 2.073 215 R HA -0.070 4.270 4.340 0.001 0.000 0.234 215 R C 1.782 178.091 176.300 0.016 0.000 1.134 215 R CA 1.602 57.711 56.100 0.015 0.000 0.952 215 R CB -1.072 29.200 30.300 -0.047 0.000 0.850 215 R HN 0.449 nan 8.270 nan 0.000 0.433 216 Y N 0.298 120.605 120.300 0.012 0.000 2.128 216 Y HA -0.185 4.366 4.550 0.001 0.000 0.284 216 Y C 2.107 178.015 175.900 0.014 0.000 1.154 216 Y CA 1.957 60.059 58.100 0.004 0.000 1.149 216 Y CB -0.321 38.128 38.460 -0.018 0.000 0.976 216 Y HN 0.010 nan 8.280 nan 0.000 0.505 217 L N -0.951 120.372 121.223 0.167 0.000 2.046 217 L HA -0.256 4.084 4.340 0.001 0.000 0.208 217 L C 2.297 179.264 176.870 0.163 0.000 1.077 217 L CA 1.149 56.062 54.840 0.122 0.000 0.747 217 L CB -0.743 41.306 42.059 -0.017 0.000 0.896 217 L HN 0.250 nan 8.230 nan 0.000 0.432 218 L N -0.664 120.629 121.223 0.116 0.000 1.994 218 L HA -0.206 4.134 4.340 0.001 0.000 0.208 218 L C 2.755 179.675 176.870 0.084 0.000 1.071 218 L CA 1.169 56.068 54.840 0.098 0.000 0.745 218 L CB -0.587 41.505 42.059 0.054 0.000 0.892 218 L HN 0.258 nan 8.230 nan 0.000 0.431 219 E N 0.173 120.407 120.200 0.056 0.000 2.187 219 E HA -0.217 4.134 4.350 0.001 0.000 0.199 219 E C 1.879 178.515 176.600 0.060 0.000 1.004 219 E CA 1.229 57.650 56.400 0.034 0.000 0.813 219 E CB -0.158 29.539 29.700 -0.005 0.000 0.736 219 E HN 0.526 nan 8.360 nan 0.000 0.468 220 L N -0.317 120.966 121.223 0.100 0.000 2.685 220 L HA 0.191 4.531 4.340 0.001 0.000 0.233 220 L C 1.074 178.009 176.870 0.108 0.000 1.173 220 L CA 0.203 55.104 54.840 0.102 0.000 0.961 220 L CB 0.076 42.212 42.059 0.129 0.000 1.217 220 L HN 0.136 nan 8.230 nan 0.000 0.478 221 G N -0.856 108.014 108.800 0.117 0.000 2.147 221 G HA2 -0.281 3.679 3.960 0.001 0.000 0.244 221 G HA3 -0.281 3.679 3.960 0.001 0.000 0.244 221 G C -0.336 174.691 174.900 0.211 0.000 1.005 221 G CA 0.086 45.257 45.100 0.117 0.000 0.713 221 G HN 0.336 nan 8.290 nan 0.000 0.515 222 W N 0.309 121.637 121.300 0.047 0.000 3.518 222 W HA 0.805 5.465 4.660 0.001 0.000 0.331 222 W C 0.341 176.912 176.519 0.088 0.000 1.205 222 W CA -0.453 56.934 57.345 0.069 0.000 0.956 222 W CB 1.352 30.843 29.460 0.052 0.000 1.645 222 W HN 0.799 nan 8.180 nan 0.000 0.615 223 S N -0.632 115.155 115.700 0.145 0.000 2.596 223 S HA 0.235 4.705 4.470 0.001 0.000 0.270 223 S C -0.017 174.509 174.600 -0.123 0.000 1.155 223 S CA -0.489 57.740 58.200 0.048 0.000 0.827 223 S CB 1.788 65.070 63.200 0.137 0.000 1.130 223 S HN 0.568 nan 8.310 nan 0.000 0.467 224 Y N 1.393 121.629 120.300 -0.106 0.000 2.097 224 Y HA -0.079 4.471 4.550 0.001 0.000 0.282 224 Y C 1.971 177.824 175.900 -0.079 0.000 1.152 224 Y CA 2.204 60.251 58.100 -0.089 0.000 1.136 224 Y CB -0.277 38.152 38.460 -0.051 0.000 0.975 224 Y HN 0.661 nan 8.280 nan 0.000 0.498 225 L N 0.402 121.702 121.223 0.128 0.000 2.191 225 L HA 0.005 4.345 4.340 0.001 0.000 0.212 225 L C 2.318 179.207 176.870 0.031 0.000 1.103 225 L CA 2.114 57.007 54.840 0.088 0.000 0.769 225 L CB -1.125 41.042 42.059 0.180 0.000 0.908 225 L HN 0.341 nan 8.230 nan 0.000 0.438 226 G N -1.988 106.807 108.800 -0.010 0.000 2.430 226 G HA2 -0.313 3.648 3.960 0.001 0.000 0.216 226 G HA3 -0.313 3.648 3.960 0.001 0.000 0.216 226 G C 1.471 176.253 174.900 -0.198 0.000 1.146 226 G CA 0.715 45.886 45.100 0.117 0.000 0.793 226 G HN 0.502 nan 8.290 nan 0.000 0.537 227 Y N 1.880 121.634 120.300 -0.909 0.000 2.206 227 Y HA 0.229 4.780 4.550 0.001 0.000 0.292 227 Y C 2.821 178.462 175.900 -0.431 0.000 1.123 227 Y CA 0.972 58.474 58.100 -0.997 0.000 1.142 227 Y CB -0.446 37.372 38.460 -1.070 0.000 1.006 227 Y HN 0.211 nan 8.280 nan 0.000 0.518 228 A N -0.484 122.050 122.820 -0.476 0.000 1.883 228 A HA -0.191 4.130 4.320 0.001 0.000 0.217 228 A C 2.417 179.869 177.584 -0.220 0.000 1.186 228 A CA 2.224 54.015 52.037 -0.409 0.000 0.624 228 A CB -1.222 17.560 19.000 -0.364 0.000 0.822 228 A HN 0.489 nan 8.150 nan 0.000 0.444 229 S N -1.951 113.709 115.700 -0.067 0.000 2.383 229 S HA -0.126 4.345 4.470 0.001 0.000 0.227 229 S C 1.814 176.428 174.600 0.023 0.000 1.026 229 S CA 1.359 59.623 58.200 0.106 0.000 0.981 229 S CB -0.491 62.925 63.200 0.360 0.000 0.818 229 S HN 0.690 nan 8.310 nan 0.000 0.472 230 Y N 1.857 121.919 120.300 -0.397 0.000 2.163 230 Y HA -0.048 4.502 4.550 0.001 0.000 0.288 230 Y C 1.813 177.509 175.900 -0.340 0.000 1.136 230 Y CA 1.017 58.667 58.100 -0.749 0.000 1.147 230 Y CB -0.437 37.636 38.460 -0.645 0.000 0.987 230 Y HN 0.079 nan 8.280 nan 0.000 0.509 231 L N 0.479 121.512 121.223 -0.317 0.000 2.017 231 L HA -0.167 4.173 4.340 0.001 0.000 0.208 231 L C 0.970 177.706 176.870 -0.223 0.000 1.073 231 L CA 1.458 56.163 54.840 -0.225 0.000 0.745 231 L CB -1.001 40.906 42.059 -0.253 0.000 0.894 231 L HN 0.160 nan 8.230 nan 0.000 0.432 235 V N 1.900 121.356 119.914 -0.763 0.000 2.515 235 V HA -0.158 3.963 4.120 0.001 0.000 0.250 235 V C 2.261 178.073 176.094 -0.471 0.000 1.058 235 V CA 1.963 63.693 62.300 -0.950 0.000 1.064 235 V CB -0.452 30.679 31.823 -1.154 0.000 0.675 235 V HN 0.180 nan 8.190 nan 0.000 0.461 236 L N 0.756 121.790 121.223 -0.315 0.000 2.072 236 L HA -0.048 4.293 4.340 0.001 0.000 0.205 236 L C 2.118 178.911 176.870 -0.129 0.000 1.079 236 L CA 1.823 56.556 54.840 -0.178 0.000 0.752 236 L CB -0.866 41.118 42.059 -0.126 0.000 0.906 236 L HN 0.273 nan 8.230 nan 0.000 0.436 237 N N -1.028 117.597 118.700 -0.125 0.000 2.289 237 N HA -0.174 4.566 4.740 0.001 0.000 0.184 237 N C 0.375 175.842 175.510 -0.071 0.000 1.016 237 N CA 0.811 53.809 53.050 -0.086 0.000 0.872 237 N CB -0.433 38.013 38.487 -0.068 0.000 0.973 237 N HN 0.553 nan 8.380 nan 0.000 0.433 241 T N -1.488 112.846 114.554 -0.367 0.000 3.200 241 T HA 0.214 4.565 4.350 0.001 0.000 0.284 241 T C 0.005 174.429 174.700 -0.459 0.000 1.009 241 T CA -0.438 61.450 62.100 -0.353 0.000 0.907 241 T CB 0.318 68.995 68.868 -0.318 0.000 1.120 241 T HN -0.183 nan 8.240 nan 0.000 0.534 242 Q N 2.332 121.815 119.800 -0.527 0.000 2.394 242 Q HA 0.281 4.621 4.340 0.001 0.000 0.259 242 Q C 1.084 176.894 176.000 -0.317 0.000 1.021 242 Q CA -0.349 55.155 55.803 -0.498 0.000 0.805 242 Q CB 2.052 30.374 28.738 -0.693 0.000 1.226 242 Q HN 0.697 nan 8.270 nan 0.000 0.476 243 K N 1.451 121.672 120.400 -0.300 0.000 2.127 243 K HA -0.216 4.104 4.320 0.001 0.000 0.208 243 K C 0.411 176.804 176.600 -0.344 0.000 1.047 243 K CA 1.804 57.891 56.287 -0.333 0.000 0.927 243 K CB -0.135 32.123 32.500 -0.405 0.000 0.716 243 K HN 0.526 nan 8.250 nan 0.000 0.450 244 H N -0.011 119.009 119.070 -0.084 0.000 2.539 244 H HA 0.308 4.864 4.556 0.001 0.000 0.267 244 H C 0.004 175.295 175.328 -0.062 0.000 0.982 244 H CA -0.251 55.765 56.048 -0.053 0.000 1.146 244 H CB 0.223 29.975 29.762 -0.017 0.000 1.382 244 H HN 0.080 nan 8.280 nan 0.000 0.577 245 I N 1.758 122.307 120.570 -0.035 0.000 2.321 245 I HA 0.126 4.296 4.170 0.001 0.000 0.291 245 I C 0.265 176.327 176.117 -0.091 0.000 0.998 245 I CA -0.643 60.620 61.300 -0.063 0.000 1.227 245 I CB 1.271 39.199 38.000 -0.120 0.000 1.368 245 I HN 0.123 nan 8.210 nan 0.000 0.466 246 R N 5.827 126.281 120.500 -0.077 0.000 2.401 246 R HA 0.030 4.370 4.340 0.001 0.000 0.299 246 R C 1.136 177.364 176.300 -0.119 0.000 1.064 246 R CA 0.077 56.118 56.100 -0.098 0.000 1.000 246 R CB 0.672 30.910 30.300 -0.104 0.000 0.973 246 R HN 0.598 nan 8.270 nan 0.000 0.438 247 K N 2.564 122.894 120.400 -0.116 0.000 2.057 247 K HA -0.135 4.186 4.320 0.001 0.000 0.206 247 K C 0.749 177.287 176.600 -0.102 0.000 1.050 247 K CA 1.854 58.075 56.287 -0.111 0.000 0.935 247 K CB 0.179 32.619 32.500 -0.100 0.000 0.715 247 K HN 0.715 nan 8.250 nan 0.000 0.439 248 D N -0.298 120.034 120.400 -0.113 0.000 2.319 248 D HA -0.065 4.575 4.640 0.001 0.000 0.230 248 D C 0.055 176.215 176.300 -0.234 0.000 1.094 248 D CA 0.156 54.090 54.000 -0.110 0.000 0.856 248 D CB 0.288 41.033 40.800 -0.092 0.000 0.915 248 D HN 0.001 nan 8.370 nan 0.000 0.517 249 R N 0.749 121.093 120.500 -0.261 0.000 2.718 249 R HA 0.379 4.720 4.340 0.001 0.000 0.307 249 R C -0.454 175.726 176.300 -0.200 0.000 1.244 249 R CA -0.378 55.489 56.100 -0.388 0.000 1.348 249 R CB 0.470 30.506 30.300 -0.440 0.000 1.304 249 R HN 0.201 nan 8.270 nan 0.000 0.663 250 I N 0.911 121.409 120.570 -0.120 0.000 2.392 250 I HA 0.379 4.549 4.170 0.001 0.000 0.295 250 I C -0.001 176.029 176.117 -0.145 0.000 0.985 250 I CA -1.027 60.194 61.300 -0.131 0.000 1.221 250 I CB 2.089 40.018 38.000 -0.118 0.000 1.366 250 I HN -0.261 nan 8.210 nan 0.000 0.467 251 V N 6.667 126.465 119.914 -0.193 0.000 2.604 251 V HA 0.385 4.506 4.120 0.001 0.000 0.305 251 V C -0.243 175.733 176.094 -0.195 0.000 1.043 251 V CA -0.745 61.418 62.300 -0.229 0.000 0.888 251 V CB 2.173 33.857 31.823 -0.231 0.000 0.995 251 V HN 0.362 nan 8.190 nan 0.000 0.429 252 V N 3.243 123.059 119.914 -0.163 0.000 2.347 252 V HA 0.517 4.637 4.120 0.001 0.000 0.280 252 V C 0.212 176.369 176.094 0.105 0.000 1.021 252 V CA -0.146 62.151 62.300 -0.005 0.000 0.847 252 V CB 1.594 33.477 31.823 0.100 0.000 0.990 252 V HN 0.879 nan 8.190 nan 0.000 0.444 253 S N 3.720 119.468 115.700 0.079 0.000 2.454 253 S HA 0.845 5.315 4.470 0.001 0.000 0.306 253 S C -0.031 174.675 174.600 0.176 0.000 1.100 253 S CA -0.116 58.192 58.200 0.180 0.000 1.087 253 S CB 1.259 64.564 63.200 0.175 0.000 1.019 253 S HN 1.061 nan 8.310 nan 0.000 0.480 254 G N 2.825 111.758 108.800 0.222 0.000 2.571 254 G HA2 0.686 4.646 3.960 0.001 0.000 0.304 254 G HA3 0.686 4.646 3.960 0.001 0.000 0.304 254 G C -1.912 173.148 174.900 0.265 0.000 1.314 254 G CA -0.596 44.598 45.100 0.158 0.000 0.975 254 G HN 0.611 nan 8.290 nan 0.000 0.485 255 F N 2.075 122.077 119.950 0.087 0.000 2.540 255 F HA 0.623 5.151 4.527 0.001 0.000 0.317 255 F C 0.912 176.764 175.800 0.088 0.000 1.104 255 F CA 0.438 58.516 58.000 0.130 0.000 0.913 255 F CB 2.183 41.291 39.000 0.181 0.000 1.170 255 F HN 0.909 nan 8.300 nan 0.000 0.450 256 S N 3.434 118.669 115.700 -0.775 0.000 4.150 256 S HA -0.375 4.095 4.470 0.001 0.000 0.551 256 S C 1.222 175.709 174.600 -0.188 0.000 1.874 256 S CA 2.037 59.952 58.200 -0.474 0.000 4.241 256 S CB -1.546 61.322 63.200 -0.554 0.000 0.292 256 S HN 1.163 nan 8.310 nan 0.000 0.469 257 L N 2.919 124.099 121.223 -0.072 0.000 2.131 257 L HA 0.189 4.529 4.340 0.001 0.000 0.210 257 L C 2.447 179.296 176.870 -0.035 0.000 1.092 257 L CA 2.862 57.694 54.840 -0.014 0.000 0.759 257 L CB -1.339 40.699 42.059 -0.035 0.000 0.903 257 L HN 0.688 nan 8.230 nan 0.000 0.435 258 G N -1.585 107.208 108.800 -0.012 0.000 2.462 258 G HA2 -0.308 3.652 3.960 0.001 0.000 0.220 258 G HA3 -0.308 3.652 3.960 0.001 0.000 0.220 258 G C 1.461 176.325 174.900 -0.059 0.000 1.121 258 G CA 1.199 46.304 45.100 0.009 0.000 0.758 258 G HN 0.543 nan 8.290 nan 0.000 0.559 259 T N -1.051 113.389 114.554 -0.190 0.000 2.962 259 T HA 0.006 4.356 4.350 0.001 0.000 0.270 259 T C 1.851 176.385 174.700 -0.276 0.000 1.088 259 T CA 1.410 63.297 62.100 -0.355 0.000 1.127 259 T CB -0.116 68.205 68.868 -0.912 0.000 0.883 259 T HN 0.500 nan 8.240 nan 0.000 0.493 260 E N 1.901 121.971 120.200 -0.217 0.000 2.015 260 E HA 0.025 4.376 4.350 0.001 0.000 0.191 260 E C -1.285 175.291 176.600 -0.041 0.000 0.991 260 E CA 0.387 56.688 56.400 -0.164 0.000 0.802 260 E CB -1.002 28.658 29.700 -0.067 0.000 0.759 260 E HN 0.514 nan 8.360 nan 0.000 0.447 265 L N 2.032 123.304 121.223 0.081 0.000 1.970 265 L HA -0.018 4.323 4.340 0.001 0.000 0.212 265 L C 2.590 179.529 176.870 0.115 0.000 1.071 265 L CA 3.012 57.918 54.840 0.109 0.000 0.751 265 L CB -1.432 40.699 42.059 0.120 0.000 0.889 265 L HN 0.483 nan 8.230 nan 0.000 0.432 266 G N -2.018 106.883 108.800 0.168 0.000 2.469 266 G HA2 -0.293 3.668 3.960 0.001 0.000 0.219 266 G HA3 -0.293 3.668 3.960 0.001 0.000 0.219 266 G C 1.554 176.466 174.900 0.021 0.000 1.150 266 G CA 1.529 46.761 45.100 0.220 0.000 0.763 266 G HN 0.417 nan 8.290 nan 0.000 0.561 267 T N 1.119 115.611 114.554 -0.102 0.000 2.701 267 T HA 0.016 4.366 4.350 0.001 0.000 0.263 267 T C 2.434 177.056 174.700 -0.130 0.000 1.040 267 T CA 0.945 62.944 62.100 -0.169 0.000 1.147 267 T CB -0.201 68.517 68.868 -0.249 0.000 0.865 267 T HN 0.159 nan 8.240 nan 0.000 0.426 268 L N 0.342 121.507 121.223 -0.096 0.000 2.156 268 L HA 0.071 4.411 4.340 0.001 0.000 0.208 268 L C 0.858 177.711 176.870 -0.028 0.000 1.095 268 L CA 0.705 55.492 54.840 -0.087 0.000 0.770 268 L CB -0.084 41.909 42.059 -0.110 0.000 0.914 268 L HN 0.180 nan 8.230 nan 0.000 0.439 269 D N -0.376 120.034 120.400 0.016 0.000 2.461 269 D HA 0.091 4.731 4.640 0.001 0.000 0.240 269 D C 0.916 177.248 176.300 0.054 0.000 1.094 269 D CA -0.199 53.822 54.000 0.034 0.000 0.868 269 D CB 1.313 42.140 40.800 0.046 0.000 1.062 269 D HN 0.009 nan 8.370 nan 0.000 0.530 270 T N -0.372 114.200 114.554 0.030 0.000 3.215 270 T HA 0.006 4.357 4.350 0.001 0.000 0.254 270 T C 1.320 176.042 174.700 0.037 0.000 1.149 270 T CA 0.086 62.210 62.100 0.039 0.000 1.042 270 T CB 0.011 68.885 68.868 0.009 0.000 0.966 270 T HN 0.111 nan 8.240 nan 0.000 0.534 271 S N 1.022 116.737 115.700 0.025 0.000 2.470 271 S HA 0.278 4.749 4.470 0.001 0.000 0.225 271 S C 0.839 175.442 174.600 0.004 0.000 1.006 271 S CA -0.201 58.006 58.200 0.011 0.000 0.934 271 S CB -0.308 62.887 63.200 -0.008 0.000 0.778 271 S HN 0.571 nan 8.310 nan 0.000 0.517 272 I N 1.660 122.226 120.570 -0.007 0.000 2.710 272 I HA -0.050 4.120 4.170 0.001 0.000 0.286 272 I C 1.335 177.383 176.117 -0.114 0.000 1.181 272 I CA 0.038 61.281 61.300 -0.094 0.000 1.430 272 I CB 0.319 38.216 38.000 -0.172 0.000 1.367 272 I HN 0.103 nan 8.210 nan 0.000 0.577 273 Y N 6.350 126.492 120.300 -0.264 0.000 2.177 273 Y HA 0.237 4.787 4.550 0.001 0.000 0.291 273 Y C 1.021 176.755 175.900 -0.277 0.000 1.117 273 Y CA 1.115 59.086 58.100 -0.215 0.000 1.114 273 Y CB 0.208 38.559 38.460 -0.181 0.000 1.017 273 Y HN 0.622 nan 8.280 nan 0.000 0.505 274 A N -1.325 121.260 122.820 -0.392 0.000 2.486 274 A HA 0.673 4.994 4.320 0.001 0.000 0.289 274 A C -1.922 175.280 177.584 -0.636 0.000 1.176 274 A CA -0.533 51.275 52.037 -0.381 0.000 0.757 274 A CB 0.700 19.657 19.000 -0.071 0.000 1.337 274 A HN 0.142 nan 8.150 nan 0.000 0.423 275 F N -0.892 119.171 119.950 0.189 0.000 2.578 275 F HA 0.566 5.093 4.527 0.001 0.000 0.311 275 F C -0.357 175.529 175.800 0.143 0.000 1.094 275 F CA -0.694 57.392 58.000 0.143 0.000 0.923 275 F CB 2.600 41.664 39.000 0.106 0.000 1.230 275 F HN 0.225 nan 8.300 nan 0.000 0.450 276 V N 2.829 122.940 119.914 0.328 0.000 2.305 276 V HA 0.155 4.275 4.120 0.001 0.000 0.275 276 V C -1.248 174.993 176.094 0.244 0.000 1.020 276 V CA -0.735 61.704 62.300 0.232 0.000 0.811 276 V CB 0.774 32.793 31.823 0.327 0.000 1.031 276 V HN 0.655 nan 8.190 nan 0.000 0.439 277 Y N 4.141 124.463 120.300 0.037 0.000 2.714 277 Y HA 0.349 4.899 4.550 0.001 0.000 0.333 277 Y C 0.871 176.766 175.900 -0.009 0.000 1.220 277 Y CA -0.332 57.771 58.100 0.005 0.000 1.513 277 Y CB 0.350 38.767 38.460 -0.072 0.000 1.435 277 Y HN 0.686 nan 8.280 nan 0.000 0.489 278 N N 3.839 122.552 118.700 0.022 0.000 3.298 278 N HA 0.121 4.861 4.740 0.001 0.000 0.292 278 N C -1.569 173.947 175.510 0.011 0.000 1.271 278 N CA -0.043 53.033 53.050 0.043 0.000 1.184 278 N CB -0.039 38.530 38.487 0.136 0.000 1.452 278 N HN 0.614 nan 8.380 nan 0.000 0.534 279 D N 0.072 120.451 120.400 -0.034 0.000 2.653 279 D HA 0.156 4.797 4.640 0.001 0.000 0.258 279 D C -1.047 175.370 176.300 0.195 0.000 1.252 279 D CA -0.717 53.298 54.000 0.025 0.000 0.777 279 D CB 0.675 41.321 40.800 -0.257 0.000 1.339 279 D HN 0.084 nan 8.370 nan 0.000 0.422 280 F N 1.200 121.245 119.950 0.158 0.000 2.518 280 F HA 0.436 4.963 4.527 0.001 0.000 0.359 280 F C -0.205 175.768 175.800 0.288 0.000 1.118 280 F CA -1.050 57.064 58.000 0.189 0.000 1.287 280 F CB 0.203 39.319 39.000 0.193 0.000 1.132 280 F HN 0.154 nan 8.300 nan 0.000 0.587 281 L N 6.471 127.780 121.223 0.142 0.000 2.456 281 L HA 0.212 4.553 4.340 0.001 0.000 0.277 281 L C -0.510 176.369 176.870 0.015 0.000 1.124 281 L CA 0.001 54.858 54.840 0.029 0.000 0.880 281 L CB -0.242 41.775 42.059 -0.069 0.000 1.192 281 L HN 0.956 nan 8.230 nan 0.000 0.463 282 C N 5.639 124.903 119.300 -0.060 0.000 2.355 282 C HA 0.400 4.861 4.460 0.001 0.000 0.332 282 C C 0.125 175.152 174.990 0.063 0.000 1.255 282 C CA -0.719 58.308 59.018 0.015 0.000 1.792 282 C CB 1.038 28.666 27.740 -0.186 0.000 2.300 282 C HN 0.809 nan 8.230 nan 0.000 0.515 283 Q N 3.075 122.912 119.800 0.061 0.000 2.571 283 Q HA 0.141 4.481 4.340 0.001 0.000 0.222 283 Q C 1.296 177.237 176.000 -0.099 0.000 1.167 283 Q CA 0.262 56.052 55.803 -0.022 0.000 0.966 283 Q CB 1.248 29.988 28.738 0.003 0.000 1.274 283 Q HN 1.036 nan 8.270 nan 0.000 0.552 284 T N -0.383 114.047 114.554 -0.207 0.000 2.962 284 T HA -0.177 4.173 4.350 0.001 0.000 0.270 284 T C 1.351 175.885 174.700 -0.276 0.000 1.088 284 T CA 1.196 63.201 62.100 -0.160 0.000 1.127 284 T CB 0.180 68.957 68.868 -0.153 0.000 0.883 284 T HN 0.561 nan 8.240 nan 0.000 0.493 285 Q N 0.892 120.332 119.800 -0.601 0.000 2.050 285 Q HA -0.161 4.179 4.340 0.001 0.000 0.202 285 Q C 2.434 177.983 176.000 -0.751 0.000 0.980 285 Q CA 1.698 56.674 55.803 -1.378 0.000 0.840 285 Q CB -0.182 27.822 28.738 -1.223 0.000 0.898 285 Q HN 0.776 nan 8.270 nan 0.000 0.424 286 E N 0.237 120.188 120.200 -0.416 0.000 2.072 286 E HA -0.245 4.105 4.350 0.001 0.000 0.191 286 E C 2.157 178.607 176.600 -0.251 0.000 0.985 286 E CA 0.847 57.097 56.400 -0.250 0.000 0.801 286 E CB -0.069 29.571 29.700 -0.099 0.000 0.750 286 E HN 0.237 nan 8.360 nan 0.000 0.452 287 R N 0.179 120.512 120.500 -0.277 0.000 2.096 287 R HA -0.219 4.121 4.340 0.001 0.000 0.240 287 R C 2.217 178.221 176.300 -0.493 0.000 1.139 287 R CA 1.685 57.507 56.100 -0.464 0.000 0.952 287 R CB -0.362 29.591 30.300 -0.578 0.000 0.854 287 R HN 0.209 nan 8.270 nan 0.000 0.436 288 A N 0.722 123.245 122.820 -0.494 0.000 1.902 288 A HA -0.184 4.136 4.320 0.001 0.000 0.217 288 A C 1.921 179.323 177.584 -0.304 0.000 1.181 288 A CA 1.689 53.398 52.037 -0.547 0.000 0.623 288 A CB -0.438 18.164 19.000 -0.662 0.000 0.818 288 A HN 0.549 nan 8.150 nan 0.000 0.443 289 E N -0.159 119.872 120.200 -0.281 0.000 2.077 289 E HA -0.053 4.298 4.350 0.001 0.000 0.193 289 E C 1.244 177.909 176.600 0.107 0.000 0.989 289 E CA 1.169 57.498 56.400 -0.118 0.000 0.800 289 E CB -0.472 29.078 29.700 -0.249 0.000 0.746 289 E HN 0.644 nan 8.360 nan 0.000 0.452 295 D N -0.045 120.439 120.400 0.140 0.000 2.469 295 D HA 0.146 4.787 4.640 0.001 0.000 0.278 295 D C 1.079 177.521 176.300 0.237 0.000 1.231 295 D CA -0.418 53.663 54.000 0.135 0.000 1.075 295 D CB 0.681 41.539 40.800 0.096 0.000 1.121 295 D HN 0.518 nan 8.370 nan 0.000 0.571 296 K N -0.867 119.647 120.400 0.189 0.000 2.074 296 K HA -0.152 4.169 4.320 0.001 0.000 0.209 296 K C 0.983 177.743 176.600 0.268 0.000 1.048 296 K CA 1.309 57.740 56.287 0.241 0.000 0.926 296 K CB -0.122 32.460 32.500 0.137 0.000 0.713 296 K HN 0.286 nan 8.250 nan 0.000 0.444 297 N N -0.300 118.478 118.700 0.130 0.000 2.322 297 N HA 0.033 4.774 4.740 0.001 0.000 0.194 297 N C 0.471 175.922 175.510 -0.098 0.000 1.126 297 N CA 0.968 54.017 53.050 -0.002 0.000 0.845 297 N CB 0.981 39.462 38.487 -0.010 0.000 0.976 297 N HN 0.478 nan 8.380 nan 0.000 0.475 298 G N 1.130 109.951 108.800 0.034 0.000 2.147 298 G HA2 -0.265 3.696 3.960 0.001 0.000 0.244 298 G HA3 -0.265 3.696 3.960 0.001 0.000 0.244 298 G C 0.046 174.926 174.900 -0.034 0.000 1.005 298 G CA -0.133 44.947 45.100 -0.032 0.000 0.713 298 G HN 0.144 nan 8.290 nan 0.000 0.515 299 R N -0.218 120.288 120.500 0.010 0.000 2.500 299 R HA 0.566 4.907 4.340 0.001 0.000 0.277 299 R C 0.536 176.842 176.300 0.010 0.000 1.026 299 R CA -0.611 55.487 56.100 -0.003 0.000 1.058 299 R CB 0.661 30.974 30.300 0.021 0.000 1.078 299 R HN 0.401 nan 8.270 nan 0.000 0.509 300 R N 2.433 122.931 120.500 -0.003 0.000 2.402 300 R HA 0.284 4.625 4.340 0.001 0.000 0.290 300 R C -2.013 174.357 176.300 0.118 0.000 1.321 300 R CA -1.588 54.523 56.100 0.018 0.000 1.283 300 R CB 0.929 31.170 30.300 -0.100 0.000 1.111 300 R HN 0.364 nan 8.270 nan 0.000 0.578 301 P HA -0.033 nan 4.420 nan 0.000 0.268 301 P C -0.401 177.006 177.300 0.177 0.000 1.204 301 P CA -0.156 63.031 63.100 0.145 0.000 0.768 301 P CB 0.512 32.276 31.700 0.107 0.000 0.842 302 F N 4.632 124.627 119.950 0.074 0.000 2.496 302 F HA 0.130 4.657 4.527 0.001 0.000 0.344 302 F C -0.905 174.911 175.800 0.027 0.000 1.155 302 F CA -1.410 56.629 58.000 0.065 0.000 1.302 302 F CB -0.020 39.026 39.000 0.076 0.000 1.159 302 F HN 0.340 nan 8.300 nan 0.000 0.595 303 P HA -0.135 nan 4.420 nan 0.000 0.216 303 P C -1.177 176.131 177.300 0.014 0.000 1.150 303 P CA 1.612 64.612 63.100 -0.167 0.000 0.843 303 P CB -0.010 31.481 31.700 -0.348 0.000 0.787 304 N N -3.319 115.468 118.700 0.146 0.000 2.853 304 N HA 0.271 5.012 4.740 0.001 0.000 0.258 304 N C -0.747 174.916 175.510 0.254 0.000 1.444 304 N CA -0.877 52.256 53.050 0.139 0.000 0.837 304 N CB 0.378 38.791 38.487 -0.123 0.000 1.489 304 N HN -0.157 nan 8.380 nan 0.000 0.529 305 S N -0.752 115.091 115.700 0.238 0.000 2.626 305 S HA 0.215 4.686 4.470 0.001 0.000 0.257 305 S C 1.565 176.241 174.600 0.127 0.000 1.288 305 S CA -0.427 57.868 58.200 0.159 0.000 0.980 305 S CB -0.184 63.079 63.200 0.105 0.000 0.975 305 S HN 0.768 nan 8.310 nan 0.000 0.577 306 I N -1.840 118.748 120.570 0.031 0.000 2.700 306 I HA -0.061 4.109 4.170 0.001 0.000 0.261 306 I C 2.392 178.481 176.117 -0.047 0.000 1.219 306 I CA 1.146 62.437 61.300 -0.015 0.000 1.463 306 I CB -0.427 37.555 38.000 -0.029 0.000 1.092 306 I HN 0.755 nan 8.210 nan 0.000 0.452 307 R N 1.026 121.444 120.500 -0.137 0.000 2.170 307 R HA -0.188 4.152 4.340 0.001 0.000 0.242 307 R C 1.468 177.517 176.300 -0.418 0.000 1.145 307 R CA 1.632 57.475 56.100 -0.429 0.000 0.984 307 R CB -0.392 29.498 30.300 -0.684 0.000 0.869 307 R HN 0.607 nan 8.270 nan 0.000 0.455 308 H N -0.603 118.411 119.070 -0.094 0.000 2.549 308 H HA 0.063 4.619 4.556 0.001 0.000 0.279 308 H C -0.335 174.933 175.328 -0.100 0.000 1.018 308 H CA -0.339 55.676 56.048 -0.056 0.000 1.175 308 H CB 0.405 30.152 29.762 -0.024 0.000 1.485 308 H HN 0.064 nan 8.280 nan 0.000 0.543 309 L N 2.042 123.266 121.223 0.001 0.000 2.278 309 L HA 0.283 4.624 4.340 0.001 0.000 0.287 309 L C -0.750 176.109 176.870 -0.018 0.000 1.072 309 L CA -0.341 54.459 54.840 -0.067 0.000 0.819 309 L CB 0.086 42.104 42.059 -0.068 0.000 1.176 309 L HN -0.055 nan 8.230 nan 0.000 0.435 310 I N 7.406 127.950 120.570 -0.044 0.000 2.439 310 I HA 0.418 4.588 4.170 0.001 0.000 0.283 310 I C -2.154 174.003 176.117 0.067 0.000 1.023 310 I CA -1.600 59.758 61.300 0.096 0.000 1.100 310 I CB 1.378 39.545 38.000 0.278 0.000 1.238 310 I HN 0.511 nan 8.210 nan 0.000 0.445 311 P HA 0.167 nan 4.420 nan 0.000 0.265 311 P C -0.268 177.075 177.300 0.072 0.000 1.193 311 P CA 0.409 63.535 63.100 0.045 0.000 0.765 311 P CB 0.415 32.147 31.700 0.052 0.000 0.823 312 D N 0.068 120.500 120.400 0.052 0.000 3.028 312 D HA -0.234 4.406 4.640 0.001 0.000 0.207 312 D C 0.666 176.982 176.300 0.027 0.000 1.100 312 D CA 0.701 54.727 54.000 0.043 0.000 0.995 312 D CB -1.899 38.912 40.800 0.018 0.000 1.108 312 D HN 0.353 nan 8.370 nan 0.000 0.421 313 F N 0.107 120.001 119.950 -0.093 0.000 2.065 313 F HA -0.188 4.339 4.527 0.001 0.000 0.298 313 F C 1.965 177.751 175.800 -0.022 0.000 1.112 313 F CA 1.933 59.893 58.000 -0.066 0.000 1.212 313 F CB -0.151 38.766 39.000 -0.137 0.000 0.975 313 F HN 0.085 nan 8.300 nan 0.000 0.476 314 W N 0.857 122.336 121.300 0.299 0.000 2.595 314 W HA 0.009 4.669 4.660 0.001 0.000 0.257 314 W C 1.973 178.507 176.519 0.025 0.000 1.267 314 W CA 0.498 57.946 57.345 0.172 0.000 1.300 314 W CB -1.039 28.506 29.460 0.143 0.000 1.120 314 W HN 0.097 nan 8.180 nan 0.000 0.618 315 K N -0.018 120.482 120.400 0.167 0.000 2.504 315 K HA -0.067 4.253 4.320 0.001 0.000 0.195 315 K C 1.241 177.816 176.600 -0.042 0.000 1.036 315 K CA 0.630 56.951 56.287 0.057 0.000 0.984 315 K CB 0.179 32.697 32.500 0.029 0.000 0.788 315 K HN 0.140 nan 8.250 nan 0.000 0.488 316 N N -0.567 118.010 118.700 -0.206 0.000 2.594 316 N HA 0.096 4.837 4.740 0.001 0.000 0.237 316 N C -0.189 175.172 175.510 -0.248 0.000 1.057 316 N CA 0.573 53.376 53.050 -0.412 0.000 0.883 316 N CB 0.868 38.643 38.487 -1.187 0.000 1.538 316 N HN -0.023 nan 8.380 nan 0.000 0.451 317 F N -0.907 119.124 119.950 0.136 0.000 2.807 317 F HA 0.521 5.049 4.527 0.001 0.000 0.316 317 F C -1.034 174.959 175.800 0.323 0.000 1.162 317 F CA -1.333 56.770 58.000 0.173 0.000 0.910 317 F CB 0.508 39.551 39.000 0.071 0.000 1.314 317 F HN -0.332 nan 8.300 nan 0.000 0.454 318 N N -0.154 118.911 118.700 0.609 0.000 2.545 318 N HA 0.429 5.169 4.740 0.001 0.000 0.289 318 N C 0.297 176.092 175.510 0.474 0.000 1.279 318 N CA -0.623 52.742 53.050 0.524 0.000 0.824 318 N CB 1.384 40.019 38.487 0.247 0.000 1.395 318 N HN 0.451 nan 8.380 nan 0.000 0.526 319 F N 1.289 121.447 119.950 0.346 0.000 2.126 319 F HA -0.012 4.515 4.527 0.001 0.000 0.299 319 F C -0.491 175.336 175.800 0.046 0.000 1.096 319 F CA 0.819 58.924 58.000 0.175 0.000 1.255 319 F CB -2.253 36.828 39.000 0.135 0.000 0.997 319 F HN 0.457 nan 8.300 nan 0.000 0.479 320 P HA -0.140 nan 4.420 nan 0.000 0.216 320 P C 1.189 178.553 177.300 0.108 0.000 1.150 320 P CA 1.867 65.018 63.100 0.085 0.000 0.843 320 P CB -0.053 31.689 31.700 0.071 0.000 0.787 321 D N -0.708 119.827 120.400 0.225 0.000 2.097 321 D HA -0.102 4.539 4.640 0.001 0.000 0.197 321 D C 2.071 178.535 176.300 0.273 0.000 0.984 321 D CA 1.077 55.303 54.000 0.375 0.000 0.826 321 D CB -0.675 40.429 40.800 0.506 0.000 0.973 321 D HN 0.221 nan 8.370 nan 0.000 0.460 322 I N 0.784 121.408 120.570 0.089 0.000 2.202 322 I HA -0.208 3.963 4.170 0.001 0.000 0.242 322 I C 2.522 178.569 176.117 -0.118 0.000 1.091 322 I CA 0.582 61.806 61.300 -0.128 0.000 1.368 322 I CB -0.210 37.677 38.000 -0.188 0.000 1.058 322 I HN -0.140 nan 8.210 nan 0.000 0.410 323 V N 1.165 121.029 119.914 -0.085 0.000 2.343 323 V HA -0.293 3.828 4.120 0.001 0.000 0.247 323 V C 2.724 178.803 176.094 -0.025 0.000 1.051 323 V CA 1.997 64.205 62.300 -0.152 0.000 1.036 323 V CB -0.997 30.662 31.823 -0.274 0.000 0.654 323 V HN 0.504 nan 8.190 nan 0.000 0.451 324 A N -0.079 122.761 122.820 0.033 0.000 1.972 324 A HA -0.040 4.280 4.320 0.001 0.000 0.219 324 A C 2.270 179.997 177.584 0.238 0.000 1.169 324 A CA 1.751 53.842 52.037 0.091 0.000 0.635 324 A CB -0.560 18.339 19.000 -0.168 0.000 0.810 324 A HN 0.589 nan 8.150 nan 0.000 0.446 325 A N -0.613 122.295 122.820 0.146 0.000 2.206 325 A HA 0.263 4.583 4.320 0.001 0.000 0.211 325 A C 1.825 179.368 177.584 -0.068 0.000 1.158 325 A CA 0.593 52.590 52.037 -0.067 0.000 0.761 325 A CB -0.481 18.198 19.000 -0.535 0.000 0.801 325 A HN 0.472 nan 8.150 nan 0.000 0.473 326 L N -0.602 120.592 121.223 -0.049 0.000 2.291 326 L HA 0.029 4.369 4.340 0.001 0.000 0.214 326 L C 1.678 178.545 176.870 -0.005 0.000 1.120 326 L CA 0.097 54.910 54.840 -0.045 0.000 0.799 326 L CB -0.705 41.267 42.059 -0.145 0.000 0.925 326 L HN 0.417 nan 8.230 nan 0.000 0.446 327 A N 1.356 124.049 122.820 -0.211 0.000 2.520 327 A HA 0.105 4.425 4.320 0.001 0.000 0.235 327 A C -1.438 176.019 177.584 -0.211 0.000 1.065 327 A CA -0.609 51.018 52.037 -0.684 0.000 0.764 327 A CB -0.329 17.929 19.000 -1.237 0.000 1.002 327 A HN 0.054 nan 8.150 nan 0.000 0.502 328 P HA 0.071 nan 4.420 nan 0.000 0.257 328 P C -0.104 177.203 177.300 0.012 0.000 1.325 328 P CA 0.011 62.982 63.100 -0.215 0.000 0.850 328 P CB 0.076 31.712 31.700 -0.107 0.000 1.324 329 R N 1.432 121.972 120.500 0.065 0.000 2.491 329 R HA 0.243 4.583 4.340 0.001 0.000 0.283 329 R C -2.212 174.259 176.300 0.286 0.000 1.072 329 R CA -1.720 54.448 56.100 0.114 0.000 1.048 329 R CB -0.567 29.831 30.300 0.163 0.000 0.983 329 R HN 0.102 nan 8.270 nan 0.000 0.450 330 P HA 0.020 nan 4.420 nan 0.000 0.265 330 P C -0.630 176.925 177.300 0.425 0.000 1.193 330 P CA 0.409 63.664 63.100 0.258 0.000 0.765 330 P CB 0.539 32.289 31.700 0.083 0.000 0.823 331 I N 3.065 123.829 120.570 0.324 0.000 2.894 331 I HA 0.590 4.760 4.170 0.001 0.000 0.302 331 I C -1.571 174.367 176.117 -0.298 0.000 1.188 331 I CA -1.365 60.023 61.300 0.146 0.000 1.014 331 I CB 2.021 40.072 38.000 0.084 0.000 1.242 331 I HN 0.193 nan 8.210 nan 0.000 0.430 332 I N 6.708 126.960 120.570 -0.530 0.000 2.478 332 I HA 0.402 4.573 4.170 0.001 0.000 0.287 332 I C -1.773 174.145 176.117 -0.332 0.000 1.042 332 I CA -0.676 60.176 61.300 -0.746 0.000 1.067 332 I CB 1.480 38.620 38.000 -1.432 0.000 1.233 332 I HN 0.436 nan 8.210 nan 0.000 0.431 333 L N 6.892 127.956 121.223 -0.265 0.000 2.265 333 L HA 0.418 4.758 4.340 0.001 0.000 0.289 333 L C 1.172 177.986 176.870 -0.093 0.000 1.033 333 L CA -0.054 54.714 54.840 -0.120 0.000 0.814 333 L CB 1.494 43.457 42.059 -0.160 0.000 1.203 333 L HN 0.686 nan 8.230 nan 0.000 0.423 334 T N -2.324 112.191 114.554 -0.066 0.000 3.054 334 T HA 0.224 4.574 4.350 0.001 0.000 0.255 334 T C 0.691 175.264 174.700 -0.211 0.000 1.035 334 T CA 0.043 62.084 62.100 -0.098 0.000 0.941 334 T CB 0.017 68.766 68.868 -0.199 0.000 1.026 334 T HN 0.528 nan 8.240 nan 0.000 0.533 335 E N 1.022 121.116 120.200 -0.178 0.000 3.306 335 E HA 0.439 4.789 4.350 0.001 0.000 0.197 335 E C 1.147 177.735 176.600 -0.020 0.000 0.980 335 E CA -0.424 55.765 56.400 -0.351 0.000 1.259 335 E CB 0.568 30.098 29.700 -0.284 0.000 1.112 335 E HN 0.535 nan 8.360 nan 0.000 0.458 336 G N 1.099 109.843 108.800 -0.094 0.000 2.627 336 G HA2 -0.179 3.782 3.960 0.001 0.000 0.312 336 G HA3 -0.179 3.782 3.960 0.001 0.000 0.312 336 G C 0.578 175.499 174.900 0.035 0.000 1.299 336 G CA -0.016 44.965 45.100 -0.199 0.000 0.989 336 G HN 0.861 nan 8.290 nan 0.000 0.547 337 G N -3.011 105.852 108.800 0.106 0.000 2.320 337 G HA2 0.479 4.439 3.960 0.001 0.000 0.274 337 G HA3 0.479 4.439 3.960 0.001 0.000 0.274 337 G C -1.082 173.881 174.900 0.105 0.000 1.324 337 G CA 0.127 45.346 45.100 0.198 0.000 0.957 337 G HN 1.883 nan 8.290 nan 0.000 0.481 338 L N 1.358 122.624 121.223 0.070 0.000 2.367 338 L HA 0.431 4.771 4.340 0.001 0.000 0.275 338 L C 1.436 178.334 176.870 0.048 0.000 1.129 338 L CA 0.193 55.046 54.840 0.023 0.000 0.839 338 L CB 0.725 42.776 42.059 -0.013 0.000 1.133 338 L HN 0.586 nan 8.230 nan 0.000 0.453 339 D N 2.992 123.434 120.400 0.070 0.000 2.182 339 D HA -0.207 4.433 4.640 0.001 0.000 0.201 339 D C 1.853 178.163 176.300 0.017 0.000 0.986 339 D CA 1.094 55.139 54.000 0.075 0.000 0.847 339 D CB 0.108 40.957 40.800 0.082 0.000 0.942 339 D HN 0.606 nan 8.370 nan 0.000 0.467 340 R N 0.918 121.412 120.500 -0.010 0.000 2.113 340 R HA -0.180 4.161 4.340 0.001 0.000 0.244 340 R C 1.301 177.582 176.300 -0.031 0.000 1.142 340 R CA 1.813 57.890 56.100 -0.038 0.000 0.953 340 R CB 0.017 30.272 30.300 -0.076 0.000 0.860 340 R HN 0.068 nan 8.270 nan 0.000 0.438 341 D N 0.293 120.680 120.400 -0.022 0.000 2.149 341 D HA -0.095 4.546 4.640 0.001 0.000 0.201 341 D C 2.075 178.349 176.300 -0.043 0.000 0.972 341 D CA 0.957 54.945 54.000 -0.020 0.000 0.835 341 D CB -0.095 40.707 40.800 0.003 0.000 0.966 341 D HN 0.309 nan 8.370 nan 0.000 0.476 342 L N 0.852 122.047 121.223 -0.047 0.000 2.072 342 L HA -0.117 4.224 4.340 0.001 0.000 0.205 342 L C 1.893 178.719 176.870 -0.073 0.000 1.079 342 L CA 0.915 55.704 54.840 -0.085 0.000 0.752 342 L CB -0.263 41.737 42.059 -0.098 0.000 0.906 342 L HN -0.144 nan 8.230 nan 0.000 0.436 343 D N 0.225 120.603 120.400 -0.037 0.000 2.219 343 D HA -0.166 4.475 4.640 0.001 0.000 0.205 343 D C 2.199 178.493 176.300 -0.011 0.000 0.970 343 D CA 0.909 54.897 54.000 -0.021 0.000 0.851 343 D CB -0.038 40.760 40.800 -0.004 0.000 0.943 343 D HN 0.250 nan 8.370 nan 0.000 0.488 344 L N 0.349 121.563 121.223 -0.015 0.000 2.046 344 L HA -0.175 4.165 4.340 0.001 0.000 0.208 344 L C 2.172 178.966 176.870 -0.126 0.000 1.077 344 L CA 0.979 55.816 54.840 -0.003 0.000 0.747 344 L CB -0.049 42.017 42.059 0.013 0.000 0.896 344 L HN -0.128 nan 8.230 nan 0.000 0.432 345 V N 0.200 120.044 119.914 -0.118 0.000 2.295 345 V HA -0.293 3.828 4.120 0.001 0.000 0.246 345 V C 2.667 178.749 176.094 -0.021 0.000 1.049 345 V CA 2.117 64.356 62.300 -0.102 0.000 1.024 345 V CB -0.724 31.013 31.823 -0.143 0.000 0.648 345 V HN 0.470 nan 8.190 nan 0.000 0.447 346 R N 0.161 120.627 120.500 -0.056 0.000 2.083 346 R HA -0.244 4.097 4.340 0.001 0.000 0.237 346 R C 2.409 178.747 176.300 0.063 0.000 1.137 346 R CA 1.857 57.944 56.100 -0.022 0.000 0.951 346 R CB -0.421 29.856 30.300 -0.038 0.000 0.851 346 R HN 0.325 nan 8.270 nan 0.000 0.434 347 K N 1.011 121.447 120.400 0.059 0.000 2.057 347 K HA -0.086 4.235 4.320 0.001 0.000 0.207 347 K C 1.887 178.581 176.600 0.156 0.000 1.049 347 K CA 1.691 58.051 56.287 0.122 0.000 0.931 347 K CB -0.406 32.211 32.500 0.195 0.000 0.714 347 K HN 0.172 nan 8.250 nan 0.000 0.440 348 A N -0.351 122.494 122.820 0.042 0.000 1.883 348 A HA -0.173 4.148 4.320 0.001 0.000 0.217 348 A C 2.101 179.636 177.584 -0.083 0.000 1.186 348 A CA 1.717 53.777 52.037 0.039 0.000 0.624 348 A CB -1.039 17.885 19.000 -0.127 0.000 0.822 348 A HN 0.439 nan 8.150 nan 0.000 0.444 349 Y N -0.141 120.106 120.300 -0.088 0.000 2.274 349 Y HA -0.085 4.466 4.550 0.001 0.000 0.290 349 Y C 2.858 178.701 175.900 -0.094 0.000 1.145 349 Y CA 0.842 58.888 58.100 -0.089 0.000 1.203 349 Y CB -0.484 37.945 38.460 -0.052 0.000 0.984 349 Y HN 0.342 nan 8.280 nan 0.000 0.533 350 A N -0.128 122.731 122.820 0.065 0.000 1.929 350 A HA -0.113 4.208 4.320 0.001 0.000 0.216 350 A C 2.218 179.779 177.584 -0.038 0.000 1.176 350 A CA 1.349 53.399 52.037 0.022 0.000 0.628 350 A CB -0.929 18.096 19.000 0.042 0.000 0.816 350 A HN 0.465 nan 8.150 nan 0.000 0.444 351 I N 0.470 120.994 120.570 -0.077 0.000 2.286 351 I HA -0.207 3.963 4.170 0.001 0.000 0.248 351 I C 2.153 178.122 176.117 -0.246 0.000 1.115 351 I CA 1.635 62.857 61.300 -0.130 0.000 1.392 351 I CB -0.163 37.771 38.000 -0.110 0.000 1.065 351 I HN 0.325 nan 8.210 nan 0.000 0.418 352 V N -1.514 118.165 119.914 -0.392 0.000 3.573 352 V HA 0.388 4.509 4.120 0.001 0.000 0.270 352 V C 1.427 177.425 176.094 -0.159 0.000 1.221 352 V CA 0.593 62.692 62.300 -0.335 0.000 1.163 352 V CB -0.576 30.975 31.823 -0.453 0.000 0.847 352 V HN 0.589 nan 8.190 nan 0.000 0.468 353 G N 0.963 109.701 108.800 -0.103 0.000 2.175 353 G HA2 -0.222 3.739 3.960 0.001 0.000 0.244 353 G HA3 -0.222 3.739 3.960 0.001 0.000 0.244 353 G C 0.445 175.338 174.900 -0.013 0.000 0.982 353 G CA 0.471 45.545 45.100 -0.044 0.000 0.641 353 G HN 1.447 nan 8.290 nan 0.000 0.527 354 T N -1.584 112.969 114.554 -0.001 0.000 3.401 354 T HA 0.658 5.009 4.350 0.001 0.000 0.341 354 T C -1.021 173.755 174.700 0.128 0.000 1.674 354 T CA -0.703 61.432 62.100 0.057 0.000 1.600 354 T CB 2.226 71.134 68.868 0.068 0.000 0.974 354 T HN 0.071 nan 8.240 nan 0.000 0.672 355 P HA -0.012 nan 4.420 nan 0.000 0.218 355 P C 0.529 177.865 177.300 0.061 0.000 1.149 355 P CA 0.971 64.125 63.100 0.089 0.000 0.817 355 P CB 0.226 31.953 31.700 0.045 0.000 0.785 356 D N -0.825 119.608 120.400 0.055 0.000 2.340 356 D HA -0.010 4.630 4.640 0.001 0.000 0.220 356 D C 1.090 177.425 176.300 0.058 0.000 1.039 356 D CA 0.229 54.250 54.000 0.035 0.000 0.866 356 D CB -0.642 40.181 40.800 0.039 0.000 0.913 356 D HN 0.073 nan 8.370 nan 0.000 0.523 357 N N 0.130 118.892 118.700 0.104 0.000 2.550 357 N HA -0.050 4.690 4.740 0.001 0.000 0.186 357 N C 0.138 175.622 175.510 -0.043 0.000 1.110 357 N CA 0.152 53.290 53.050 0.146 0.000 0.912 357 N CB 0.632 39.306 38.487 0.312 0.000 0.968 357 N HN 0.074 nan 8.380 nan 0.000 0.448 358 V N 0.596 120.320 119.914 -0.315 0.000 2.384 358 V HA 0.400 4.520 4.120 0.001 0.000 0.287 358 V C -0.668 175.262 176.094 -0.274 0.000 1.020 358 V CA -0.816 61.195 62.300 -0.482 0.000 0.850 358 V CB 1.437 32.759 31.823 -0.834 0.000 0.987 358 V HN -0.108 nan 8.190 nan 0.000 0.436 359 K N 6.283 126.506 120.400 -0.294 0.000 2.206 359 K HA 0.710 5.031 4.320 0.001 0.000 0.264 359 K C -1.211 175.122 176.600 -0.445 0.000 0.967 359 K CA -0.302 55.773 56.287 -0.354 0.000 0.844 359 K CB 1.322 33.562 32.500 -0.432 0.000 1.099 359 K HN 0.719 nan 8.250 nan 0.000 0.441 360 I N 4.985 125.280 120.570 -0.459 0.000 2.534 360 I HA 0.314 4.484 4.170 0.001 0.000 0.288 360 I C -1.182 174.681 176.117 -0.424 0.000 1.077 360 I CA -0.919 60.153 61.300 -0.381 0.000 1.051 360 I CB 1.315 39.147 38.000 -0.280 0.000 1.234 360 I HN 0.569 nan 8.210 nan 0.000 0.425 361 Y N 3.989 124.179 120.300 -0.184 0.000 2.549 361 Y HA 0.541 5.091 4.550 0.001 0.000 0.339 361 Y C 0.238 176.033 175.900 -0.174 0.000 1.053 361 Y CA -0.629 57.400 58.100 -0.117 0.000 1.105 361 Y CB 1.498 39.889 38.460 -0.116 0.000 1.258 361 Y HN 0.412 nan 8.280 nan 0.000 0.478 362 H N -0.114 119.061 119.070 0.175 0.000 2.651 362 H HA 0.256 4.812 4.556 0.001 0.000 0.353 362 H C -0.962 174.456 175.328 0.150 0.000 1.178 362 H CA -0.954 55.188 56.048 0.157 0.000 1.224 362 H CB 1.276 31.154 29.762 0.193 0.000 1.702 362 H HN 0.627 nan 8.280 nan 0.000 0.550 363 Y N 1.233 121.699 120.300 0.276 0.000 2.652 363 Y HA -0.142 4.409 4.550 0.000 0.000 0.344 363 Y C 2.062 178.073 175.900 0.185 0.000 1.254 363 Y CA 0.424 58.641 58.100 0.195 0.000 1.480 363 Y CB 0.670 39.287 38.460 0.261 0.000 1.345 363 Y HN 0.523 nan 8.280 nan 0.000 0.617 364 K N 1.285 121.835 120.400 0.250 0.000 2.097 364 K HA -0.233 4.087 4.320 0.001 0.000 0.206 364 K C 1.960 178.610 176.600 0.084 0.000 1.049 364 K CA 1.616 57.987 56.287 0.140 0.000 0.933 364 K CB -0.072 32.479 32.500 0.084 0.000 0.717 364 K HN 0.546 nan 8.250 nan 0.000 0.442 365 K N 0.215 120.645 120.400 0.050 0.000 2.211 365 K HA -0.130 4.191 4.320 0.001 0.000 0.204 365 K C 0.663 176.998 176.600 -0.442 0.000 1.047 365 K CA 1.278 57.432 56.287 -0.221 0.000 0.935 365 K CB 0.086 32.385 32.500 -0.335 0.000 0.728 365 K HN 0.040 nan 8.250 nan 0.000 0.452 366 F N -0.151 119.837 119.950 0.063 0.000 2.698 366 F HA 0.134 4.662 4.527 0.001 0.000 0.304 366 F C 1.729 177.503 175.800 -0.043 0.000 1.108 366 F CA -0.262 57.742 58.000 0.006 0.000 1.263 366 F CB 0.667 39.687 39.000 0.033 0.000 1.013 366 F HN 0.013 nan 8.300 nan 0.000 0.532 367 S N -1.453 114.327 115.700 0.133 0.000 2.383 367 S HA -0.164 4.306 4.470 0.001 0.000 0.227 367 S C 0.810 175.423 174.600 0.022 0.000 1.026 367 S CA 0.610 58.873 58.200 0.105 0.000 0.981 367 S CB -0.384 62.886 63.200 0.118 0.000 0.818 367 S HN 0.309 nan 8.310 nan 0.000 0.472 368 D N 3.393 123.795 120.400 0.004 0.000 2.401 368 D HA 0.254 4.895 4.640 0.001 0.000 0.254 368 D C -1.607 174.676 176.300 -0.027 0.000 1.192 368 D CA -2.167 51.825 54.000 -0.013 0.000 0.885 368 D CB 1.151 41.937 40.800 -0.023 0.000 1.147 368 D HN -0.008 nan 8.370 nan 0.000 0.478 369 P HA -0.164 nan 4.420 nan 0.000 0.216 369 P C 0.758 178.045 177.300 -0.022 0.000 1.157 369 P CA 1.018 64.094 63.100 -0.040 0.000 0.880 369 P CB 0.183 31.869 31.700 -0.023 0.000 0.791 370 D N -1.264 119.128 120.400 -0.013 0.000 2.239 370 D HA -0.147 4.493 4.640 0.001 0.000 0.202 370 D C 1.721 178.025 176.300 0.006 0.000 0.993 370 D CA 1.886 55.882 54.000 -0.006 0.000 0.874 370 D CB -0.938 39.855 40.800 -0.010 0.000 0.922 370 D HN 0.308 nan 8.370 nan 0.000 0.464 371 T N -2.320 112.244 114.554 0.015 0.000 3.160 371 T HA 0.039 4.389 4.350 0.001 0.000 0.257 371 T C 0.930 175.724 174.700 0.158 0.000 1.147 371 T CA 0.076 62.218 62.100 0.071 0.000 1.064 371 T CB 0.275 69.160 68.868 0.028 0.000 0.949 371 T HN 0.018 nan 8.240 nan 0.000 0.526 372 R N 0.588 121.126 120.500 0.063 0.000 2.832 372 R HA 0.665 5.006 4.340 0.001 0.000 0.271 372 R C -0.756 175.543 176.300 -0.002 0.000 0.996 372 R CA -1.071 55.039 56.100 0.017 0.000 0.977 372 R CB 1.161 31.423 30.300 -0.062 0.000 1.168 372 R HN 0.027 nan 8.270 nan 0.000 0.482 373 K N 1.829 122.219 120.400 -0.016 0.000 2.345 373 K HA 0.321 4.642 4.320 0.001 0.000 0.255 373 K C -0.864 175.726 176.600 -0.018 0.000 0.934 373 K CA -0.879 55.400 56.287 -0.014 0.000 0.801 373 K CB 1.787 34.278 32.500 -0.014 0.000 1.137 373 K HN 0.466 nan 8.250 nan 0.000 0.424 374 N N 2.107 120.800 118.700 -0.013 0.000 2.406 374 N HA 0.201 4.942 4.740 0.001 0.000 0.251 374 N C -0.247 175.253 175.510 -0.015 0.000 1.069 374 N CA -0.186 52.855 53.050 -0.014 0.000 0.947 374 N CB 1.059 39.540 38.487 -0.010 0.000 1.111 374 N HN 0.390 nan 8.380 nan 0.000 0.497 375 V N -0.508 119.390 119.914 -0.026 0.000 2.971 375 V HA 0.453 4.574 4.120 0.001 0.000 0.309 375 V C 0.580 176.632 176.094 -0.070 0.000 1.130 375 V CA -0.755 61.531 62.300 -0.024 0.000 0.964 375 V CB 2.770 34.591 31.823 -0.004 0.000 1.029 375 V HN 0.301 nan 8.190 nan 0.000 0.427 376 E N 1.245 121.389 120.200 -0.094 0.000 2.318 376 E HA 0.179 4.529 4.350 0.001 0.000 0.193 376 E C -0.854 175.390 176.600 -0.594 0.000 0.998 376 E CA 1.126 57.346 56.400 -0.301 0.000 0.859 376 E CB 0.294 29.831 29.700 -0.273 0.000 0.812 376 E HN 0.794 nan 8.360 nan 0.000 0.492 377 Y N -0.483 119.806 120.300 -0.018 0.000 2.457 377 Y HA 0.334 4.884 4.550 0.001 0.000 0.343 377 Y C 0.182 176.073 175.900 -0.016 0.000 0.994 377 Y CA -0.671 57.417 58.100 -0.020 0.000 1.031 377 Y CB 1.380 39.827 38.460 -0.022 0.000 1.246 377 Y HN -0.237 nan 8.280 nan 0.000 0.449 378 L N 5.132 126.435 121.223 0.134 0.000 2.453 378 L HA 0.379 4.720 4.340 0.001 0.000 0.261 378 L C -1.947 174.973 176.870 0.082 0.000 1.179 378 L CA -1.757 53.130 54.840 0.079 0.000 0.813 378 L CB 0.674 42.778 42.059 0.075 0.000 1.110 378 L HN 0.427 nan 8.230 nan 0.000 0.466 379 P HA 0.185 nan 4.420 nan 0.000 0.278 379 P C -1.119 176.205 177.300 0.041 0.000 1.238 379 P CA -0.515 62.610 63.100 0.041 0.000 0.794 379 P CB 0.781 32.496 31.700 0.025 0.000 0.955 380 E N 0.205 120.425 120.200 0.034 0.000 2.349 380 E HA 0.409 4.759 4.350 0.001 0.000 0.262 380 E C 0.707 177.321 176.600 0.023 0.000 1.088 380 E CA -0.382 56.041 56.400 0.038 0.000 0.899 380 E CB 0.135 29.862 29.700 0.046 0.000 1.044 380 E HN 0.760 nan 8.360 nan 0.000 0.420 381 G N 1.588 110.399 108.800 0.018 0.000 2.182 381 G HA2 -0.264 3.697 3.960 0.001 0.000 0.248 381 G HA3 -0.264 3.697 3.960 0.001 0.000 0.248 381 G C -0.126 174.775 174.900 0.001 0.000 1.042 381 G CA -0.188 44.913 45.100 0.001 0.000 0.775 381 G HN 0.281 nan 8.290 nan 0.000 0.501 382 L N 0.719 121.946 121.223 0.008 0.000 2.357 382 L HA 0.526 4.867 4.340 0.001 0.000 0.273 382 L C 0.871 177.744 176.870 0.006 0.000 1.080 382 L CA -0.785 54.064 54.840 0.015 0.000 0.803 382 L CB 0.807 42.892 42.059 0.042 0.000 1.174 382 L HN 0.443 nan 8.230 nan 0.000 0.443 383 D N 0.727 121.136 120.400 0.015 0.000 2.451 383 D HA 0.129 4.769 4.640 0.001 0.000 0.259 383 D C 0.956 177.276 176.300 0.033 0.000 1.201 383 D CA -0.576 53.435 54.000 0.018 0.000 1.028 383 D CB 0.676 41.491 40.800 0.025 0.000 1.095 383 D HN 0.356 nan 8.370 nan 0.000 0.539 384 R N -0.452 120.077 120.500 0.048 0.000 2.080 384 R HA -0.171 4.169 4.340 0.001 0.000 0.236 384 R C 1.524 177.942 176.300 0.197 0.000 1.137 384 R CA 1.483 57.634 56.100 0.084 0.000 0.943 384 R CB -0.301 30.086 30.300 0.144 0.000 0.846 384 R HN 0.431 nan 8.270 nan 0.000 0.431 385 N N 0.749 119.562 118.700 0.189 0.000 2.104 385 N HA -0.178 4.562 4.740 0.001 0.000 0.190 385 N C 1.533 177.126 175.510 0.139 0.000 1.024 385 N CA 1.705 54.872 53.050 0.195 0.000 0.853 385 N CB -0.245 38.307 38.487 0.108 0.000 1.008 385 N HN 0.424 nan 8.380 nan 0.000 0.424 386 E N -0.423 119.826 120.200 0.082 0.000 2.077 386 E HA -0.200 4.150 4.350 0.001 0.000 0.193 386 E C 1.714 178.315 176.600 0.002 0.000 0.989 386 E CA 0.768 57.191 56.400 0.037 0.000 0.800 386 E CB -0.246 29.470 29.700 0.028 0.000 0.746 386 E HN 0.441 nan 8.360 nan 0.000 0.452 387 Y N 0.641 120.872 120.300 -0.115 0.000 2.097 387 Y HA -0.296 4.254 4.550 0.001 0.000 0.282 387 Y C 1.818 177.558 175.900 -0.266 0.000 1.152 387 Y CA 1.668 59.630 58.100 -0.229 0.000 1.136 387 Y CB -0.395 37.842 38.460 -0.372 0.000 0.975 387 Y HN -0.056 nan 8.280 nan 0.000 0.498 388 F N 0.515 120.329 119.950 -0.227 0.000 2.171 388 F HA -0.080 4.447 4.527 0.001 0.000 0.300 388 F C 1.870 177.405 175.800 -0.441 0.000 1.090 388 F CA 1.305 59.059 58.000 -0.411 0.000 1.293 388 F CB -0.683 38.176 39.000 -0.234 0.000 1.013 388 F HN -0.113 nan 8.300 nan 0.000 0.486 392 N N -0.500 117.798 118.700 -0.670 0.000 2.746 392 N HA -0.115 4.625 4.740 0.001 0.000 0.250 392 N C -0.388 174.616 175.510 -0.844 0.000 1.055 392 N CA 0.708 53.039 53.050 -1.198 0.000 0.699 392 N CB -1.141 37.013 38.487 -0.555 0.000 0.919 392 N HN 0.622 nan 8.380 nan 0.000 0.548 393 V N 0.251 119.722 119.914 -0.738 0.000 2.513 393 V HA 0.423 4.543 4.120 0.001 0.000 0.299 393 V C -0.009 175.751 176.094 -0.556 0.000 1.035 393 V CA -0.376 61.566 62.300 -0.596 0.000 0.889 393 V CB 2.008 33.546 31.823 -0.475 0.000 0.988 393 V HN 0.209 nan 8.190 nan 0.000 0.440 394 D N 2.919 122.724 120.400 -0.991 0.000 2.432 394 D HA 0.391 5.031 4.640 0.001 0.000 0.265 394 D C 1.225 177.266 176.300 -0.431 0.000 1.160 394 D CA 0.193 53.876 54.000 -0.529 0.000 0.911 394 D CB 1.232 41.791 40.800 -0.401 0.000 1.052 394 D HN 0.535 nan 8.370 nan 0.000 0.508 395 G N 3.518 112.128 108.800 -0.318 0.000 2.574 395 G HA2 -0.265 3.696 3.960 0.001 0.000 0.220 395 G HA3 -0.265 3.696 3.960 0.001 0.000 0.220 395 G C -0.628 174.283 174.900 0.019 0.000 1.173 395 G CA 0.737 45.724 45.100 -0.188 0.000 0.772 395 G HN 0.452 nan 8.290 nan 0.000 0.585 396 P HA -0.050 nan 4.420 nan 0.000 0.218 396 P C 1.135 178.556 177.300 0.203 0.000 1.148 396 P CA 0.913 64.071 63.100 0.097 0.000 0.822 396 P CB 0.051 31.785 31.700 0.055 0.000 0.784 397 N N -1.382 117.448 118.700 0.216 0.000 2.327 397 N HA -0.007 4.733 4.740 0.001 0.000 0.231 397 N C -0.165 175.547 175.510 0.338 0.000 1.130 397 N CA 0.012 53.252 53.050 0.316 0.000 0.845 397 N CB -0.672 37.989 38.487 0.290 0.000 1.073 397 N HN 0.275 nan 8.380 nan 0.000 0.496 398 H N 1.235 120.483 119.070 0.297 0.000 2.761 398 H HA 0.271 4.828 4.556 0.001 0.000 0.284 398 H C -0.708 174.878 175.328 0.429 0.000 1.105 398 H CA -0.413 55.826 56.048 0.319 0.000 1.352 398 H CB -0.310 29.629 29.762 0.294 0.000 1.423 398 H HN 0.157 nan 8.280 nan 0.000 0.464 399 Y N 2.403 122.792 120.300 0.149 0.000 2.871 399 Y HA 0.307 4.857 4.550 0.001 0.000 0.331 399 Y C -1.781 174.096 175.900 -0.038 0.000 1.378 399 Y CA -2.112 55.981 58.100 -0.013 0.000 1.079 399 Y CB 0.318 38.756 38.460 -0.037 0.000 1.441 399 Y HN 0.348 nan 8.280 nan 0.000 0.446 400 F N 3.449 123.310 119.950 -0.148 0.000 2.471 400 F HA 0.392 4.919 4.527 0.001 0.000 0.365 400 F C 0.219 176.080 175.800 0.101 0.000 1.095 400 F CA -0.754 57.186 58.000 -0.100 0.000 1.174 400 F CB 0.717 39.566 39.000 -0.252 0.000 1.105 400 F HN 0.297 nan 8.300 nan 0.000 0.535 401 K N 5.102 125.221 120.400 -0.468 0.000 2.243 401 K HA 0.075 4.395 4.320 0.001 0.000 0.232 401 K C 1.211 177.643 176.600 -0.281 0.000 1.237 401 K CA 0.147 56.253 56.287 -0.302 0.000 1.161 401 K CB 0.020 32.292 32.500 -0.380 0.000 1.505 401 K HN 0.650 nan 8.250 nan 0.000 0.271 402 S N 1.632 117.298 115.700 -0.058 0.000 2.382 402 S HA -0.143 4.327 4.470 0.001 0.000 0.228 402 S C 1.634 176.250 174.600 0.026 0.000 1.027 402 S CA 1.152 59.375 58.200 0.039 0.000 0.991 402 S CB 0.082 63.329 63.200 0.077 0.000 0.823 402 S HN 0.626 nan 8.310 nan 0.000 0.469 403 E N 1.412 121.613 120.200 0.003 0.000 2.333 403 E HA -0.115 4.235 4.350 0.001 0.000 0.198 403 E C 1.545 178.117 176.600 -0.046 0.000 1.007 403 E CA 0.894 57.290 56.400 -0.007 0.000 0.845 403 E CB -0.335 29.360 29.700 -0.009 0.000 0.766 403 E HN 0.486 nan 8.360 nan 0.000 0.507 404 L N -0.068 121.091 121.223 -0.105 0.000 2.467 404 L HA 0.089 4.429 4.340 0.001 0.000 0.213 404 L C 2.458 179.370 176.870 0.070 0.000 1.053 404 L CA 0.141 54.889 54.840 -0.153 0.000 0.847 404 L CB 0.044 41.817 42.059 -0.477 0.000 1.075 404 L HN -0.091 nan 8.230 nan 0.000 0.479 405 V N -0.372 119.581 119.914 0.064 0.000 2.488 405 V HA -0.153 3.968 4.120 0.001 0.000 0.246 405 V C 2.391 178.730 176.094 0.409 0.000 1.046 405 V CA 1.065 63.514 62.300 0.248 0.000 1.053 405 V CB 0.190 32.118 31.823 0.176 0.000 0.679 405 V HN 0.141 nan 8.190 nan 0.000 0.458 406 V N 0.462 120.558 119.914 0.304 0.000 2.270 406 V HA -0.119 4.002 4.120 0.001 0.000 0.245 406 V C 0.072 176.334 176.094 0.280 0.000 1.043 406 V CA 2.412 64.902 62.300 0.316 0.000 1.014 406 V CB -1.628 30.322 31.823 0.211 0.000 0.645 406 V HN 0.503 nan 8.190 nan 0.000 0.447 407 P HA -0.177 nan 4.420 nan 0.000 0.220 407 P C 1.238 178.691 177.300 0.255 0.000 1.148 407 P CA 1.412 64.635 63.100 0.206 0.000 0.803 407 P CB -0.087 31.718 31.700 0.176 0.000 0.782 408 W N 0.089 121.471 121.300 0.136 0.000 2.409 408 W HA -0.039 4.621 4.660 0.000 0.000 0.299 408 W C 1.852 178.444 176.519 0.120 0.000 1.203 408 W CA 1.114 58.535 57.345 0.127 0.000 1.298 408 W CB -0.773 28.769 29.460 0.137 0.000 1.127 408 W HN -0.237 nan 8.180 nan 0.000 0.528 409 L N 0.404 121.734 121.223 0.178 0.000 2.093 409 L HA -0.155 4.185 4.340 0.001 0.000 0.208 409 L C 2.658 179.534 176.870 0.010 0.000 1.085 409 L CA 1.335 56.148 54.840 -0.045 0.000 0.755 409 L CB -0.847 41.274 42.059 0.103 0.000 0.904 409 L HN -0.055 nan 8.230 nan 0.000 0.435 410 R N 0.492 121.075 120.500 0.139 0.000 2.097 410 R HA -0.209 4.131 4.340 0.001 0.000 0.236 410 R C 2.312 178.626 176.300 0.022 0.000 1.135 410 R CA 1.725 57.898 56.100 0.122 0.000 0.934 410 R CB -0.306 30.063 30.300 0.115 0.000 0.846 410 R HN 0.318 nan 8.270 nan 0.000 0.431 411 K N 0.239 120.625 120.400 -0.024 0.000 2.148 411 K HA -0.133 4.187 4.320 0.001 0.000 0.204 411 K C 2.034 178.555 176.600 -0.132 0.000 1.050 411 K CA 0.817 57.069 56.287 -0.059 0.000 0.942 411 K CB -0.153 32.325 32.500 -0.037 0.000 0.724 411 K HN 0.051 nan 8.250 nan 0.000 0.446 412 L N 0.837 121.896 121.223 -0.274 0.000 2.044 412 L HA -0.100 4.241 4.340 0.001 0.000 0.205 412 L C 1.647 178.449 176.870 -0.114 0.000 1.075 412 L CA 1.637 56.299 54.840 -0.298 0.000 0.747 412 L CB -0.206 41.462 42.059 -0.653 0.000 0.903 412 L HN 0.053 nan 8.230 nan 0.000 0.435 413 L N -0.169 120.999 121.223 -0.091 0.000 2.446 413 L HA 0.094 4.434 4.340 0.001 0.000 0.219 413 L C 2.820 179.679 176.870 -0.018 0.000 1.116 413 L CA 1.403 56.215 54.840 -0.048 0.000 0.844 413 L CB -2.197 39.858 42.059 -0.006 0.000 0.970 413 L HN 0.462 nan 8.230 nan 0.000 0.457 414 E N 0.772 120.970 120.200 -0.004 0.000 2.110 414 E HA -0.033 4.317 4.350 0.001 0.000 0.193 414 E C 1.128 177.719 176.600 -0.015 0.000 0.988 414 E CA 1.565 57.964 56.400 -0.002 0.000 0.804 414 E CB -0.815 28.888 29.700 0.004 0.000 0.745 414 E HN 0.584 nan 8.360 nan 0.000 0.458 415 E N 0.000 120.188 120.200 -0.019 0.000 2.725 415 E HA 0.000 4.350 4.350 0.001 0.000 0.291 415 E CA 0.000 56.391 56.400 -0.015 0.000 0.976 415 E CB 0.000 29.687 29.700 -0.022 0.000 0.812 415 E HN 0.000 nan 8.360 nan 0.000 0.440