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 1mco_1_H DATA FIRST_RESID 1 DATA SEQUENCE PLVLQESGPG LVKPSEALSL TcTVSGDSIN TILYYWSWIR QPPGKGLEWI DATA SEQUENCE GYIYYSGSTY GNPSLKSRVT ISVNTSKNQF YSKLSSVTAA DTAVYYcARV DATA SEQUENCE PLVVNPWGQG TLVTVSSAST KGPSVFPLAP SSKSTSGGTA ALGcLVKDYF DATA SEQUENCE PQPVTVSWNS GALTSGVHTF PAVLQSSGLY SLSSVVTVPS SSLGTQTYIc DATA SEQUENCE NVNHKPSNTK VDKRVAPELL GGPSVFLFPP KPKDTLMISR TPEVTcVVVD DATA SEQUENCE VSHEDPQVKF NWYVDGVQVH NAKTKPREQQ YNSTYRVVSV LTVLHQNWLD DATA SEQUENCE GKEYKcKVSN KALPAPIEKT ISKAKGQPRE PQVYTLPPSR EEMTKNQVSL DATA SEQUENCE TcLVKGFYPS DIAVEWESNG QPENNYKTTP PVLDSDGSFF LYSKLTVDKS DATA SEQUENCE RWQQGNVFSc SVMHEALHNH YTQKSLSL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.302 177.300 0.004 0.000 1.155 1 P CA 0.000 63.101 63.100 0.001 0.000 0.800 1 P CB 0.000 31.702 31.700 0.004 0.000 0.726 2 L N 1.832 123.060 121.223 0.007 0.000 2.325 2 L HA 0.889 5.229 4.340 -0.000 0.000 0.279 2 L C -0.922 175.966 176.870 0.030 0.000 1.054 2 L CA -0.728 54.117 54.840 0.009 0.000 0.804 2 L CB 1.679 43.738 42.059 0.000 0.000 1.200 2 L HN 0.368 nan 8.230 nan 0.000 0.436 3 V N 6.161 126.099 119.914 0.040 0.000 2.841 3 V HA 0.674 4.794 4.120 -0.000 0.000 0.310 3 V C -1.559 174.592 176.094 0.094 0.000 1.090 3 V CA -0.570 61.772 62.300 0.070 0.000 0.930 3 V CB 2.117 33.978 31.823 0.064 0.000 1.014 3 V HN 0.809 nan 8.190 nan 0.000 0.425 4 L N 5.809 127.117 121.223 0.141 0.000 2.439 4 L HA 0.720 5.060 4.340 -0.000 0.000 0.270 4 L C -0.866 176.130 176.870 0.211 0.000 0.972 4 L CA -0.294 54.670 54.840 0.206 0.000 0.836 4 L CB 1.887 44.103 42.059 0.262 0.000 1.255 4 L HN 0.690 nan 8.230 nan 0.000 0.404 5 Q N 3.141 123.063 119.800 0.204 0.000 2.295 5 Q HA 0.385 4.725 4.340 -0.000 0.000 0.268 5 Q C -1.673 174.437 176.000 0.184 0.000 1.010 5 Q CA -0.454 55.458 55.803 0.183 0.000 0.856 5 Q CB 3.257 32.077 28.738 0.137 0.000 1.349 5 Q HN 0.669 nan 8.270 nan 0.000 0.412 6 E N 0.832 121.150 120.200 0.195 0.000 2.222 6 E HA 0.618 4.968 4.350 -0.000 0.000 0.272 6 E C -1.187 175.505 176.600 0.153 0.000 0.982 6 E CA -0.250 56.272 56.400 0.203 0.000 0.842 6 E CB 2.033 31.892 29.700 0.264 0.000 1.144 6 E HN 0.495 nan 8.360 nan 0.000 0.397 7 S N -0.321 115.461 115.700 0.136 0.000 2.671 7 S HA 0.677 5.147 4.470 -0.000 0.000 0.277 7 S C -0.279 174.358 174.600 0.062 0.000 1.165 7 S CA 0.293 58.546 58.200 0.088 0.000 0.822 7 S CB 1.676 64.918 63.200 0.071 0.000 1.150 7 S HN 0.744 nan 8.310 nan 0.000 0.479 8 G N 1.620 110.438 108.800 0.031 0.000 2.148 8 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.157 8 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.157 8 G C -2.545 172.347 174.900 -0.014 0.000 1.012 8 G CA -0.091 45.007 45.100 -0.002 0.000 0.677 8 G HN 0.677 nan 8.290 nan 0.000 0.506 9 P HA 0.692 nan 4.420 nan 0.000 0.276 9 P C 0.606 177.905 177.300 -0.003 0.000 1.261 9 P CA 0.774 63.879 63.100 0.008 0.000 0.800 9 P CB 1.452 33.175 31.700 0.038 0.000 1.066 10 G N -1.152 107.651 108.800 0.005 0.000 2.368 10 G HA2 0.325 4.285 3.960 -0.000 0.000 0.302 10 G HA3 0.325 4.285 3.960 -0.000 0.000 0.302 10 G C -2.509 172.396 174.900 0.009 0.000 1.329 10 G CA -0.767 44.333 45.100 0.001 0.000 0.935 10 G HN 0.659 nan 8.290 nan 0.000 0.590 11 L N 0.558 121.788 121.223 0.011 0.000 2.356 11 L HA 0.846 5.186 4.340 -0.000 0.000 0.277 11 L C 0.048 176.920 176.870 0.003 0.000 0.996 11 L CA -0.686 54.166 54.840 0.020 0.000 0.822 11 L CB 1.842 43.929 42.059 0.047 0.000 1.256 11 L HN 1.088 nan 8.230 nan 0.000 0.413 12 V N 0.868 120.779 119.914 -0.005 0.000 3.181 12 V HA 0.704 4.824 4.120 -0.000 0.000 0.308 12 V C -1.093 174.994 176.094 -0.013 0.000 1.214 12 V CA -0.980 61.312 62.300 -0.014 0.000 1.053 12 V CB 1.970 33.775 31.823 -0.030 0.000 1.069 12 V HN 0.578 nan 8.190 nan 0.000 0.441 13 K N 2.492 122.883 120.400 -0.014 0.000 2.450 13 K HA 0.525 4.845 4.320 -0.000 0.000 0.257 13 K C -2.896 173.693 176.600 -0.017 0.000 0.953 13 K CA -2.327 53.953 56.287 -0.012 0.000 0.844 13 K CB 1.885 34.382 32.500 -0.006 0.000 1.103 13 K HN 0.632 nan 8.250 nan 0.000 0.429 14 P HA -0.084 nan 4.420 nan 0.000 0.255 14 P C -0.759 176.528 177.300 -0.022 0.000 1.141 14 P CA 0.696 63.781 63.100 -0.024 0.000 0.767 14 P CB 0.249 31.936 31.700 -0.021 0.000 0.726 15 S N 0.974 116.658 115.700 -0.027 0.000 4.706 15 S HA -0.011 4.459 4.470 -0.000 0.000 0.040 15 S C 0.280 174.864 174.600 -0.027 0.000 0.868 15 S CA 0.216 58.400 58.200 -0.026 0.000 0.894 15 S CB -0.742 62.446 63.200 -0.020 0.000 0.322 15 S HN 0.671 nan 8.310 nan 0.000 0.806 16 E N 0.872 121.052 120.200 -0.033 0.000 4.379 16 E HA 0.912 5.262 4.350 -0.000 0.000 0.159 16 E C -0.117 176.456 176.600 -0.046 0.000 1.246 16 E CA -0.096 56.283 56.400 -0.035 0.000 0.723 16 E CB -0.113 29.570 29.700 -0.029 0.000 2.553 16 E HN 0.687 nan 8.360 nan 0.000 0.543 17 A N -0.164 122.624 122.820 -0.054 0.000 2.604 17 A HA 0.804 5.124 4.320 -0.000 0.000 0.295 17 A C -2.035 175.502 177.584 -0.078 0.000 1.067 17 A CA -0.509 51.488 52.037 -0.067 0.000 0.683 17 A CB 1.530 20.501 19.000 -0.049 0.000 1.281 17 A HN 0.752 nan 8.150 nan 0.000 0.407 18 L N 0.156 121.316 121.223 -0.104 0.000 2.592 18 L HA 0.809 5.149 4.340 -0.000 0.000 0.258 18 L C -1.169 175.605 176.870 -0.160 0.000 0.926 18 L CA 0.156 54.924 54.840 -0.120 0.000 0.885 18 L CB 2.043 44.018 42.059 -0.140 0.000 1.380 18 L HN 0.767 nan 8.230 nan 0.000 0.415 19 S N 4.642 120.273 115.700 -0.115 0.000 2.707 19 S HA 0.798 5.268 4.470 -0.000 0.000 0.312 19 S C -0.826 173.732 174.600 -0.069 0.000 1.116 19 S CA -0.499 57.655 58.200 -0.077 0.000 1.078 19 S CB 0.293 63.515 63.200 0.037 0.000 0.997 19 S HN 0.644 nan 8.310 nan 0.000 0.477 20 L N 2.720 123.853 121.223 -0.150 0.000 2.358 20 L HA 0.809 5.149 4.340 -0.000 0.000 0.268 20 L C 0.417 177.305 176.870 0.029 0.000 1.032 20 L CA -0.639 54.130 54.840 -0.119 0.000 0.805 20 L CB 2.051 43.916 42.059 -0.323 0.000 1.253 20 L HN 0.556 nan 8.230 nan 0.000 0.452 21 T N -0.494 114.156 114.554 0.160 0.000 2.840 21 T HA 0.414 4.764 4.350 -0.000 0.000 0.317 21 T C -2.089 172.769 174.700 0.263 0.000 1.401 21 T CA -0.437 61.809 62.100 0.242 0.000 1.028 21 T CB 1.574 70.533 68.868 0.152 0.000 1.317 21 T HN 0.727 nan 8.240 nan 0.000 0.495 22 c N 3.082 121.811 118.600 0.216 0.000 2.516 22 c HA 0.811 5.381 4.570 -0.000 0.000 0.338 22 c C -0.187 174.033 174.090 0.217 0.000 1.132 22 c CA -0.131 56.306 56.329 0.181 0.000 1.310 22 c CB 0.216 42.777 42.510 0.085 0.000 1.898 22 c HN 1.017 nan 8.230 nan 0.000 0.452 23 T N 3.708 118.385 114.554 0.205 0.000 2.888 23 T HA 0.701 5.051 4.350 -0.000 0.000 0.284 23 T C -1.017 173.797 174.700 0.190 0.000 1.017 23 T CA -0.334 61.884 62.100 0.197 0.000 1.022 23 T CB 1.425 70.372 68.868 0.131 0.000 1.013 23 T HN 1.063 nan 8.240 nan 0.000 0.465 24 V N 3.499 123.513 119.914 0.167 0.000 2.604 24 V HA 0.835 4.955 4.120 -0.000 0.000 0.305 24 V C -1.087 175.038 176.094 0.053 0.000 1.043 24 V CA -0.335 62.029 62.300 0.106 0.000 0.888 24 V CB 2.304 34.168 31.823 0.069 0.000 0.995 24 V HN 0.975 nan 8.190 nan 0.000 0.429 25 S N 4.470 120.192 115.700 0.036 0.000 2.571 25 S HA 0.731 5.201 4.470 -0.000 0.000 0.238 25 S C 0.294 174.898 174.600 0.008 0.000 1.153 25 S CA 0.118 58.330 58.200 0.019 0.000 1.141 25 S CB 0.998 64.215 63.200 0.028 0.000 1.133 25 S HN 1.845 nan 8.310 nan 0.000 0.464 26 G N 1.955 110.750 108.800 -0.009 0.000 2.456 26 G HA2 0.054 4.014 3.960 -0.000 0.000 0.208 26 G HA3 0.054 4.014 3.960 -0.000 0.000 0.208 26 G C -0.733 174.151 174.900 -0.026 0.000 1.004 26 G CA -0.173 44.919 45.100 -0.013 0.000 0.791 26 G HN 0.659 nan 8.290 nan 0.000 0.537 27 D N -0.466 119.907 120.400 -0.045 0.000 2.769 27 D HA 0.530 5.170 4.640 -0.000 0.000 0.219 27 D C -0.369 175.871 176.300 -0.100 0.000 1.245 27 D CA 0.092 54.052 54.000 -0.066 0.000 0.801 27 D CB 1.486 42.245 40.800 -0.069 0.000 1.598 27 D HN 0.190 nan 8.370 nan 0.000 0.485 28 S N 3.419 119.052 115.700 -0.111 0.000 2.585 28 S HA 0.816 5.286 4.470 -0.000 0.000 0.277 28 S C 0.120 174.602 174.600 -0.197 0.000 1.241 28 S CA -0.187 57.930 58.200 -0.138 0.000 1.041 28 S CB 0.645 63.769 63.200 -0.126 0.000 0.987 28 S HN 0.564 nan 8.310 nan 0.000 0.512 29 I N 2.505 122.930 120.570 -0.241 0.000 1.466 29 I HA -0.054 4.116 4.170 -0.000 0.000 0.288 29 I C 0.400 176.333 176.117 -0.306 0.000 0.588 29 I CA 0.770 61.883 61.300 -0.312 0.000 2.987 29 I CB -1.136 36.670 38.000 -0.323 0.000 1.788 29 I HN 0.767 nan 8.210 nan 0.000 0.498 30 N N -0.002 118.463 118.700 -0.391 0.000 2.923 30 N HA -0.206 4.534 4.740 -0.000 0.000 0.223 30 N C 0.803 176.261 175.510 -0.087 0.000 0.164 30 N CA 3.134 56.083 53.050 -0.168 0.000 4.005 30 N CB -1.298 37.214 38.487 0.040 0.000 0.970 30 N HN 0.654 nan 8.380 nan 0.000 0.228 31 T N 0.038 114.516 114.554 -0.127 0.000 3.250 31 T HA 0.402 4.752 4.350 -0.000 0.000 0.265 31 T C 0.157 174.631 174.700 -0.377 0.000 0.973 31 T CA 0.394 62.409 62.100 -0.140 0.000 1.040 31 T CB 0.336 69.201 68.868 -0.006 0.000 1.167 31 T HN 0.384 nan 8.240 nan 0.000 0.471 32 I N 1.808 122.127 120.570 -0.419 0.000 2.573 32 I HA 0.392 4.562 4.170 -0.000 0.000 0.295 32 I C 0.477 176.056 176.117 -0.898 0.000 1.141 32 I CA 0.310 61.152 61.300 -0.764 0.000 1.364 32 I CB 0.012 37.812 38.000 -0.332 0.000 1.447 32 I HN 0.336 nan 8.210 nan 0.000 0.571 33 L N 3.121 123.520 121.223 -1.373 0.000 1.524 33 L HA -0.139 4.201 4.340 -0.000 0.000 0.500 33 L C -0.289 176.151 176.870 -0.718 0.000 0.763 33 L CA 0.080 54.359 54.840 -0.935 0.000 2.671 33 L CB -0.443 41.221 42.059 -0.660 0.000 1.047 33 L HN 0.609 nan 8.230 nan 0.000 0.620 34 Y N -1.499 118.419 120.300 -0.637 0.000 3.116 34 Y HA 0.585 5.135 4.550 0.000 0.000 0.246 34 Y C -0.796 174.746 175.900 -0.596 0.000 2.345 34 Y CA -0.620 57.076 58.100 -0.673 0.000 0.907 34 Y CB 0.401 38.630 38.460 -0.385 0.000 1.811 34 Y HN -0.005 nan 8.280 nan 0.000 0.461 35 Y N -2.284 118.028 120.300 0.020 0.000 2.705 35 Y HA 0.580 5.130 4.550 -0.000 0.000 0.332 35 Y C -1.556 174.202 175.900 -0.237 0.000 1.221 35 Y CA -2.100 55.916 58.100 -0.140 0.000 1.059 35 Y CB 1.145 39.478 38.460 -0.211 0.000 1.298 35 Y HN 0.372 nan 8.280 nan 0.000 0.459 36 W N 0.408 121.513 121.300 -0.325 0.000 3.127 36 W HA 0.702 5.362 4.660 0.000 0.000 0.330 36 W C -0.917 175.449 176.519 -0.254 0.000 1.187 36 W CA -1.170 55.945 57.345 -0.383 0.000 1.198 36 W CB 2.624 31.619 29.460 -0.776 0.000 1.408 36 W HN 0.529 nan 8.180 nan 0.000 0.529 37 S N 1.882 117.770 115.700 0.314 0.000 2.599 37 S HA 0.824 5.294 4.470 -0.000 0.000 0.294 37 S C -1.960 172.650 174.600 0.017 0.000 1.094 37 S CA -0.280 58.098 58.200 0.296 0.000 0.931 37 S CB 1.052 64.503 63.200 0.420 0.000 1.093 37 S HN 0.316 nan 8.310 nan 0.000 0.488 38 W N 2.109 123.427 121.300 0.029 0.000 2.998 38 W HA 0.672 5.332 4.660 0.000 0.000 0.335 38 W C -0.490 175.880 176.519 -0.248 0.000 1.110 38 W CA -0.510 56.754 57.345 -0.135 0.000 1.230 38 W CB 1.358 30.730 29.460 -0.146 0.000 1.405 38 W HN 0.582 nan 8.180 nan 0.000 0.493 39 I N 2.621 123.120 120.570 -0.119 0.000 3.237 39 I HA 0.665 4.835 4.170 -0.000 0.000 0.308 39 I C -0.637 175.198 176.117 -0.470 0.000 1.093 39 I CA -1.390 59.740 61.300 -0.284 0.000 1.001 39 I CB 1.698 39.408 38.000 -0.483 0.000 1.245 39 I HN 0.542 nan 8.210 nan 0.000 0.485 40 R N 3.313 123.546 120.500 -0.446 0.000 2.566 40 R HA 0.435 4.774 4.340 -0.000 0.000 0.271 40 R C -1.906 174.251 176.300 -0.238 0.000 1.071 40 R CA -0.872 54.868 56.100 -0.601 0.000 0.915 40 R CB 1.340 31.170 30.300 -0.782 0.000 1.228 40 R HN 0.605 nan 8.270 nan 0.000 0.449 41 Q N 4.056 123.770 119.800 -0.143 0.000 2.414 41 Q HA 0.396 4.736 4.340 -0.000 0.000 0.256 41 Q C -2.608 173.393 176.000 0.002 0.000 0.974 41 Q CA -1.960 53.833 55.803 -0.017 0.000 0.723 41 Q CB 2.441 31.222 28.738 0.072 0.000 1.281 41 Q HN 0.443 nan 8.270 nan 0.000 0.470 42 P HA 0.019 nan 4.420 nan 0.000 0.267 42 P C -2.531 174.786 177.300 0.028 0.000 1.200 42 P CA -0.707 62.403 63.100 0.018 0.000 0.772 42 P CB 0.160 31.866 31.700 0.009 0.000 0.855 43 P HA 0.039 nan 4.420 nan 0.000 0.266 43 P C 0.678 177.985 177.300 0.011 0.000 1.419 43 P CA 0.832 63.945 63.100 0.021 0.000 1.112 43 P CB -0.392 31.318 31.700 0.017 0.000 1.438 44 G N 2.155 110.964 108.800 0.014 0.000 2.551 44 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.186 44 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.186 44 G C 0.124 175.033 174.900 0.016 0.000 1.002 44 G CA -0.377 44.729 45.100 0.009 0.000 0.723 44 G HN 0.576 nan 8.290 nan 0.000 0.481 45 K N 0.318 120.731 120.400 0.021 0.000 2.393 45 K HA 0.699 5.019 4.320 -0.000 0.000 0.241 45 K C 0.782 177.406 176.600 0.039 0.000 1.055 45 K CA 0.056 56.358 56.287 0.024 0.000 0.951 45 K CB 1.334 33.844 32.500 0.017 0.000 1.285 45 K HN 0.247 nan 8.250 nan 0.000 0.500 46 G N 0.082 108.908 108.800 0.043 0.000 3.107 46 G HA2 0.402 4.362 3.960 -0.000 0.000 0.232 46 G HA3 0.402 4.362 3.960 -0.000 0.000 0.232 46 G C -0.898 174.034 174.900 0.053 0.000 1.339 46 G CA -0.979 44.160 45.100 0.065 0.000 1.033 46 G HN 0.472 nan 8.290 nan 0.000 0.567 47 L N 0.971 122.238 121.223 0.074 0.000 2.410 47 L HA 0.363 4.703 4.340 -0.000 0.000 0.273 47 L C 0.264 177.154 176.870 0.034 0.000 1.144 47 L CA 0.094 54.969 54.840 0.057 0.000 0.863 47 L CB 0.789 42.912 42.059 0.106 0.000 1.140 47 L HN 0.486 nan 8.230 nan 0.000 0.463 48 E N 3.647 123.849 120.200 0.004 0.000 2.292 48 E HA 0.133 4.483 4.350 -0.000 0.000 0.272 48 E C -1.686 174.928 176.600 0.023 0.000 0.881 48 E CA -0.783 55.633 56.400 0.027 0.000 0.754 48 E CB 1.921 31.619 29.700 -0.003 0.000 1.201 48 E HN 0.509 nan 8.360 nan 0.000 0.425 49 W N 7.019 128.253 121.300 -0.110 0.000 2.272 49 W HA 0.273 4.933 4.660 -0.000 0.000 0.318 49 W C 0.414 176.882 176.519 -0.084 0.000 1.255 49 W CA -0.241 57.042 57.345 -0.104 0.000 1.200 49 W CB 0.483 29.869 29.460 -0.124 0.000 1.170 49 W HN 0.619 nan 8.180 nan 0.000 0.549 50 I N 3.277 123.458 120.570 -0.647 0.000 4.139 50 I HA 0.660 4.830 4.170 -0.000 0.000 0.320 50 I C 0.627 176.192 176.117 -0.918 0.000 1.290 50 I CA 0.226 61.138 61.300 -0.646 0.000 1.253 50 I CB 0.210 38.042 38.000 -0.281 0.000 1.122 50 I HN 0.546 nan 8.210 nan 0.000 0.421 51 G N -0.261 107.906 108.800 -1.056 0.000 2.506 51 G HA2 0.477 4.437 3.960 -0.000 0.000 0.292 51 G HA3 0.477 4.437 3.960 -0.000 0.000 0.292 51 G C -2.565 172.421 174.900 0.143 0.000 1.425 51 G CA -0.408 44.375 45.100 -0.530 0.000 0.788 51 G HN 0.003 nan 8.290 nan 0.000 0.490 52 Y N -0.841 119.583 120.300 0.208 0.000 2.571 52 Y HA 0.809 5.359 4.550 -0.000 0.000 0.341 52 Y C -0.637 175.476 175.900 0.356 0.000 1.076 52 Y CA -1.078 57.249 58.100 0.379 0.000 1.029 52 Y CB 2.305 41.052 38.460 0.479 0.000 1.308 52 Y HN 0.694 nan 8.280 nan 0.000 0.461 53 I N 2.731 123.349 120.570 0.080 0.000 3.006 53 I HA 0.395 4.565 4.170 -0.000 0.000 0.306 53 I C -1.948 174.290 176.117 0.201 0.000 1.250 53 I CA -0.708 60.714 61.300 0.204 0.000 0.996 53 I CB 2.047 40.193 38.000 0.244 0.000 1.261 53 I HN 0.628 nan 8.210 nan 0.000 0.442 54 Y N 3.512 123.916 120.300 0.173 0.000 2.772 54 Y HA 0.301 4.851 4.550 -0.000 0.000 0.324 54 Y C 0.662 176.642 175.900 0.133 0.000 1.169 54 Y CA -0.652 57.571 58.100 0.205 0.000 1.198 54 Y CB 0.383 39.007 38.460 0.273 0.000 1.402 54 Y HN 0.612 nan 8.280 nan 0.000 0.577 55 Y N 1.182 120.910 120.300 -0.953 0.000 2.181 55 Y HA -0.210 4.340 4.550 0.000 0.000 0.279 55 Y C 0.832 176.536 175.900 -0.327 0.000 1.228 55 Y CA 2.557 60.194 58.100 -0.771 0.000 1.164 55 Y CB -0.134 37.660 38.460 -1.110 0.000 0.959 55 Y HN 0.387 nan 8.280 nan 0.000 0.521 56 S N -2.129 113.563 115.700 -0.014 0.000 2.402 56 S HA 0.377 4.847 4.470 -0.000 0.000 0.308 56 S C -0.259 174.421 174.600 0.134 0.000 0.596 56 S CA 0.163 58.413 58.200 0.083 0.000 0.706 56 S CB -0.476 62.772 63.200 0.080 0.000 1.117 56 S HN 0.919 nan 8.310 nan 0.000 0.518 57 G N 1.352 110.264 108.800 0.187 0.000 3.800 57 G HA2 0.275 4.235 3.960 -0.000 0.000 0.221 57 G HA3 0.275 4.235 3.960 -0.000 0.000 0.221 57 G C -0.260 174.776 174.900 0.227 0.000 0.893 57 G CA 0.366 45.581 45.100 0.193 0.000 0.986 57 G HN 1.454 nan 8.290 nan 0.000 0.719 58 S N 0.168 116.032 115.700 0.273 0.000 2.382 58 S HA 0.513 4.983 4.470 -0.000 0.000 0.228 58 S C -0.819 173.965 174.600 0.307 0.000 0.996 58 S CA 0.503 58.864 58.200 0.268 0.000 1.094 58 S CB 0.964 64.330 63.200 0.278 0.000 1.209 58 S HN 0.839 nan 8.310 nan 0.000 0.420 59 T N 4.824 119.535 114.554 0.262 0.000 2.753 59 T HA 0.538 4.888 4.350 -0.000 0.000 0.297 59 T C -1.468 173.430 174.700 0.329 0.000 0.981 59 T CA -0.219 62.049 62.100 0.280 0.000 0.956 59 T CB 0.373 69.361 68.868 0.201 0.000 0.936 59 T HN 0.554 nan 8.240 nan 0.000 0.463 60 Y N 4.038 124.488 120.300 0.249 0.000 2.326 60 Y HA 0.668 5.218 4.550 -0.000 0.000 0.331 60 Y C -0.100 175.933 175.900 0.221 0.000 0.962 60 Y CA -1.692 56.553 58.100 0.242 0.000 1.167 60 Y CB 1.305 39.946 38.460 0.300 0.000 1.148 60 Y HN 0.759 nan 8.280 nan 0.000 0.463 61 G N 4.616 113.578 108.800 0.270 0.000 2.417 61 G HA2 0.170 4.130 3.960 -0.000 0.000 0.334 61 G HA3 0.170 4.130 3.960 -0.000 0.000 0.334 61 G C -0.766 174.021 174.900 -0.189 0.000 1.150 61 G CA -1.205 43.831 45.100 -0.108 0.000 0.923 61 G HN 0.806 nan 8.290 nan 0.000 0.485 62 N N 2.127 120.537 118.700 -0.483 0.000 2.412 62 N HA 0.022 4.762 4.740 -0.000 0.000 0.258 62 N C -0.863 174.624 175.510 -0.039 0.000 1.236 62 N CA -1.214 51.649 53.050 -0.313 0.000 0.882 62 N CB 1.305 39.535 38.487 -0.428 0.000 1.066 62 N HN 0.183 nan 8.380 nan 0.000 0.465 63 P HA -0.206 nan 4.420 nan 0.000 0.222 63 P C 0.850 178.167 177.300 0.029 0.000 1.139 63 P CA 0.992 64.134 63.100 0.071 0.000 0.790 63 P CB 0.359 32.115 31.700 0.093 0.000 0.757 64 S N -0.380 115.322 115.700 0.003 0.000 2.294 64 S HA -0.012 4.458 4.470 -0.000 0.000 0.203 64 S C 1.348 175.929 174.600 -0.032 0.000 1.022 64 S CA 0.095 58.287 58.200 -0.014 0.000 0.955 64 S CB -0.786 62.398 63.200 -0.025 0.000 0.943 64 S HN 0.060 nan 8.310 nan 0.000 0.472 65 L N 2.187 123.368 121.223 -0.070 0.000 2.862 65 L HA 0.412 4.752 4.340 -0.000 0.000 0.240 65 L C 0.140 176.967 176.870 -0.071 0.000 1.283 65 L CA 0.406 55.194 54.840 -0.088 0.000 1.117 65 L CB -0.811 41.169 42.059 -0.131 0.000 1.444 65 L HN 0.176 nan 8.230 nan 0.000 0.456 66 K N -1.111 119.279 120.400 -0.017 0.000 2.185 66 K HA 0.327 4.647 4.320 -0.000 0.000 0.269 66 K C 1.101 177.717 176.600 0.026 0.000 0.987 66 K CA 0.536 56.847 56.287 0.040 0.000 0.865 66 K CB 1.034 33.600 32.500 0.111 0.000 1.090 66 K HN 0.085 nan 8.250 nan 0.000 0.450 67 S N 2.483 118.201 115.700 0.030 0.000 1.831 67 S HA -0.235 4.235 4.470 -0.000 0.000 0.238 67 S C 1.078 175.671 174.600 -0.013 0.000 0.971 67 S CA 1.623 59.831 58.200 0.014 0.000 1.450 67 S CB -0.971 62.236 63.200 0.013 0.000 1.824 67 S HN 0.903 nan 8.310 nan 0.000 0.543 68 R N 0.892 121.375 120.500 -0.028 0.000 2.089 68 R HA 0.207 4.547 4.340 -0.000 0.000 0.222 68 R C 1.439 177.690 176.300 -0.082 0.000 1.151 68 R CA 1.175 57.241 56.100 -0.056 0.000 0.908 68 R CB -1.112 29.152 30.300 -0.060 0.000 0.813 68 R HN 0.435 nan 8.270 nan 0.000 0.440 69 V N 1.803 121.655 119.914 -0.104 0.000 3.239 69 V HA -0.098 4.022 4.120 -0.000 0.000 0.297 69 V C -0.297 175.722 176.094 -0.126 0.000 1.206 69 V CA 1.284 63.496 62.300 -0.146 0.000 1.325 69 V CB 0.908 32.631 31.823 -0.165 0.000 0.981 69 V HN 0.528 nan 8.190 nan 0.000 0.513 70 T N 6.846 121.288 114.554 -0.186 0.000 3.335 70 T HA 0.331 4.681 4.350 -0.000 0.000 0.321 70 T C -0.591 173.962 174.700 -0.244 0.000 0.960 70 T CA -0.114 61.884 62.100 -0.169 0.000 1.034 70 T CB 0.809 69.565 68.868 -0.186 0.000 1.040 70 T HN 0.729 nan 8.240 nan 0.000 0.454 71 I N 3.539 124.050 120.570 -0.099 0.000 2.359 71 I HA 0.667 4.837 4.170 -0.000 0.000 0.284 71 I C -0.194 175.986 176.117 0.104 0.000 1.018 71 I CA 0.028 61.341 61.300 0.022 0.000 1.173 71 I CB 0.290 38.414 38.000 0.207 0.000 1.326 71 I HN 0.642 nan 8.210 nan 0.000 0.462 72 S N 5.541 121.285 115.700 0.073 0.000 2.709 72 S HA 0.849 5.319 4.470 -0.000 0.000 0.302 72 S C -0.749 174.096 174.600 0.408 0.000 1.127 72 S CA -0.770 57.557 58.200 0.212 0.000 0.905 72 S CB 2.260 65.548 63.200 0.147 0.000 1.151 72 S HN 0.460 nan 8.310 nan 0.000 0.510 73 V N 0.295 120.444 119.914 0.392 0.000 3.160 73 V HA 0.609 4.729 4.120 -0.000 0.000 0.310 73 V C -1.229 175.023 176.094 0.263 0.000 1.181 73 V CA -0.908 61.628 62.300 0.393 0.000 1.047 73 V CB 2.308 34.314 31.823 0.305 0.000 1.068 73 V HN 1.063 nan 8.190 nan 0.000 0.441 74 N N 0.325 119.151 118.700 0.209 0.000 2.726 74 N HA 0.131 4.871 4.740 -0.000 0.000 0.253 74 N C 0.938 176.509 175.510 0.102 0.000 1.530 74 N CA 0.507 53.630 53.050 0.121 0.000 0.772 74 N CB 1.113 39.642 38.487 0.071 0.000 1.220 74 N HN 0.773 nan 8.380 nan 0.000 0.508 75 T N -0.317 114.290 114.554 0.087 0.000 2.624 75 T HA -0.259 4.091 4.350 -0.000 0.000 0.266 75 T C 1.757 176.473 174.700 0.026 0.000 1.050 75 T CA 2.532 64.660 62.100 0.046 0.000 1.163 75 T CB -0.263 68.621 68.868 0.027 0.000 0.861 75 T HN 0.381 nan 8.240 nan 0.000 0.443 76 S N -0.556 115.159 115.700 0.026 0.000 2.406 76 S HA 0.063 4.533 4.470 -0.000 0.000 0.228 76 S C 2.007 176.618 174.600 0.018 0.000 1.020 76 S CA 1.338 59.547 58.200 0.015 0.000 0.965 76 S CB -0.321 62.888 63.200 0.015 0.000 0.798 76 S HN 0.609 nan 8.310 nan 0.000 0.488 77 K N 0.266 120.683 120.400 0.028 0.000 2.404 77 K HA 0.129 4.449 4.320 -0.000 0.000 0.194 77 K C 0.145 176.773 176.600 0.047 0.000 1.023 77 K CA 0.578 56.883 56.287 0.030 0.000 1.094 77 K CB -0.069 32.445 32.500 0.024 0.000 0.841 77 K HN 0.468 nan 8.250 nan 0.000 0.523 78 N N 0.360 119.095 118.700 0.057 0.000 2.857 78 N HA -0.255 4.485 4.740 -0.000 0.000 0.242 78 N C -0.354 175.248 175.510 0.152 0.000 0.983 78 N CA 0.821 53.916 53.050 0.075 0.000 0.934 78 N CB -0.725 37.788 38.487 0.043 0.000 1.115 78 N HN 0.363 nan 8.380 nan 0.000 0.593 79 Q N -0.420 119.473 119.800 0.156 0.000 2.260 79 Q HA 0.437 4.777 4.340 -0.000 0.000 0.238 79 Q C -0.811 175.352 176.000 0.271 0.000 0.948 79 Q CA -0.473 55.448 55.803 0.196 0.000 0.895 79 Q CB 0.617 29.427 28.738 0.120 0.000 1.218 79 Q HN 0.105 nan 8.270 nan 0.000 0.470 80 F N 1.626 121.586 119.950 0.016 0.000 2.509 80 F HA 0.494 5.021 4.527 0.000 0.000 0.334 80 F C -1.258 174.620 175.800 0.130 0.000 1.060 80 F CA -1.069 56.854 58.000 -0.127 0.000 0.997 80 F CB 1.242 39.753 39.000 -0.815 0.000 1.271 80 F HN 0.510 nan 8.300 nan 0.000 0.488 81 Y N 1.167 121.475 120.300 0.013 0.000 2.433 81 Y HA 0.428 4.978 4.550 -0.000 0.000 0.337 81 Y C -1.171 174.627 175.900 -0.170 0.000 1.026 81 Y CA -1.556 56.516 58.100 -0.048 0.000 1.037 81 Y CB 1.914 40.388 38.460 0.023 0.000 1.245 81 Y HN 0.401 nan 8.280 nan 0.000 0.443 82 S N 6.078 121.622 115.700 -0.260 0.000 2.259 82 S HA 0.385 4.855 4.470 -0.000 0.000 0.181 82 S C -0.943 173.287 174.600 -0.617 0.000 1.589 82 S CA -0.581 57.196 58.200 -0.704 0.000 1.234 82 S CB -0.227 62.174 63.200 -1.332 0.000 1.119 82 S HN 0.594 nan 8.310 nan 0.000 0.458 83 K N 3.168 123.091 120.400 -0.794 0.000 2.206 83 K HA 0.620 4.940 4.320 -0.000 0.000 0.264 83 K C -0.760 175.568 176.600 -0.452 0.000 0.967 83 K CA -0.548 55.408 56.287 -0.551 0.000 0.844 83 K CB 0.915 33.090 32.500 -0.541 0.000 1.099 83 K HN 0.352 nan 8.250 nan 0.000 0.441 84 L N 0.785 121.803 121.223 -0.342 0.000 2.879 84 L HA 0.535 4.875 4.340 -0.000 0.000 0.223 84 L C -0.866 175.887 176.870 -0.196 0.000 1.917 84 L CA -0.243 54.423 54.840 -0.291 0.000 2.640 84 L CB 1.192 43.015 42.059 -0.393 0.000 2.523 84 L HN 0.650 nan 8.230 nan 0.000 0.644 85 S N -0.734 114.874 115.700 -0.154 0.000 3.609 85 S HA 0.336 4.806 4.470 -0.000 0.000 0.134 85 S C -1.103 173.440 174.600 -0.094 0.000 0.789 85 S CA 0.225 58.361 58.200 -0.107 0.000 0.776 85 S CB -1.145 62.005 63.200 -0.084 0.000 1.221 85 S HN 0.775 nan 8.310 nan 0.000 0.626 86 S N -0.012 115.634 115.700 -0.090 0.000 3.346 86 S HA -0.097 4.373 4.470 -0.000 0.000 0.257 86 S C -0.443 174.114 174.600 -0.072 0.000 1.313 86 S CA -0.110 58.047 58.200 -0.073 0.000 0.734 86 S CB -1.430 61.735 63.200 -0.057 0.000 0.925 86 S HN 1.099 nan 8.310 nan 0.000 0.747 87 V N 2.645 122.507 119.914 -0.088 0.000 2.390 87 V HA 0.307 4.427 4.120 -0.000 0.000 0.260 87 V C 1.165 177.229 176.094 -0.049 0.000 1.043 87 V CA 1.121 63.373 62.300 -0.080 0.000 1.047 87 V CB 0.866 32.615 31.823 -0.124 0.000 1.066 87 V HN 0.659 nan 8.190 nan 0.000 0.481 88 T N 4.620 119.153 114.554 -0.034 0.000 2.814 88 T HA 0.451 4.801 4.350 -0.000 0.000 0.284 88 T C 1.574 176.269 174.700 -0.010 0.000 0.998 88 T CA 0.226 62.313 62.100 -0.021 0.000 0.935 88 T CB 1.354 70.210 68.868 -0.019 0.000 1.167 88 T HN 0.749 nan 8.240 nan 0.000 0.545 89 A N 0.592 123.409 122.820 -0.005 0.000 1.954 89 A HA -0.105 4.215 4.320 -0.000 0.000 0.222 89 A C 2.369 179.958 177.584 0.008 0.000 1.199 89 A CA 2.781 54.819 52.037 0.001 0.000 0.657 89 A CB -1.292 17.708 19.000 0.000 0.000 0.823 89 A HN 0.985 nan 8.150 nan 0.000 0.463 90 A N -1.208 121.617 122.820 0.008 0.000 2.115 90 A HA 0.168 4.488 4.320 -0.000 0.000 0.211 90 A C 1.443 179.042 177.584 0.025 0.000 1.169 90 A CA 1.096 53.141 52.037 0.013 0.000 0.787 90 A CB -0.213 18.792 19.000 0.007 0.000 0.858 90 A HN 0.407 nan 8.150 nan 0.000 0.474 91 D N 0.075 120.493 120.400 0.029 0.000 2.351 91 D HA -0.029 4.611 4.640 -0.000 0.000 0.216 91 D C 0.995 177.373 176.300 0.131 0.000 0.968 91 D CA 1.160 55.198 54.000 0.063 0.000 0.899 91 D CB -0.390 40.430 40.800 0.033 0.000 0.907 91 D HN 0.299 nan 8.370 nan 0.000 0.514 92 T N 0.084 114.691 114.554 0.089 0.000 2.754 92 T HA 0.435 4.785 4.350 -0.000 0.000 0.282 92 T C -0.267 174.510 174.700 0.129 0.000 0.923 92 T CA -0.232 61.932 62.100 0.107 0.000 1.164 92 T CB -0.239 68.665 68.868 0.060 0.000 0.873 92 T HN 0.113 nan 8.240 nan 0.000 0.537 93 A N 4.319 127.273 122.820 0.223 0.000 2.583 93 A HA 0.690 5.010 4.320 -0.000 0.000 0.289 93 A C -0.615 177.101 177.584 0.221 0.000 1.151 93 A CA -0.747 51.377 52.037 0.145 0.000 0.695 93 A CB 1.456 20.434 19.000 -0.036 0.000 1.290 93 A HN 0.594 nan 8.150 nan 0.000 0.419 94 V N 1.747 121.731 119.914 0.117 0.000 2.338 94 V HA 0.203 4.323 4.120 -0.000 0.000 0.255 94 V C -1.111 175.066 176.094 0.139 0.000 1.082 94 V CA 0.211 62.625 62.300 0.190 0.000 0.951 94 V CB -1.249 30.694 31.823 0.200 0.000 1.102 94 V HN 0.583 nan 8.190 nan 0.000 0.489 95 Y N 5.371 125.754 120.300 0.137 0.000 2.327 95 Y HA 0.554 5.104 4.550 -0.000 0.000 0.336 95 Y C -0.032 176.026 175.900 0.264 0.000 1.035 95 Y CA -0.508 57.668 58.100 0.127 0.000 1.165 95 Y CB 1.202 39.666 38.460 0.007 0.000 1.181 95 Y HN 0.698 nan 8.280 nan 0.000 0.494 96 Y N 1.949 122.396 120.300 0.244 0.000 2.470 96 Y HA 0.442 4.992 4.550 -0.000 0.000 0.341 96 Y C -1.128 174.859 175.900 0.144 0.000 1.021 96 Y CA -2.508 55.690 58.100 0.165 0.000 1.025 96 Y CB 0.492 38.915 38.460 -0.061 0.000 1.266 96 Y HN 0.684 nan 8.280 nan 0.000 0.448 97 c N 5.706 124.448 118.600 0.237 0.000 2.459 97 c HA 0.781 5.351 4.570 -0.000 0.000 0.358 97 c C 0.533 174.763 174.090 0.233 0.000 1.162 97 c CA 0.176 56.528 56.329 0.038 0.000 1.559 97 c CB -2.364 40.220 42.510 0.123 0.000 2.132 97 c HN 0.896 nan 8.230 nan 0.000 0.536 98 A N 7.379 130.234 122.820 0.059 0.000 2.540 98 A HA 0.459 4.779 4.320 -0.000 0.000 0.340 98 A C 0.410 178.181 177.584 0.312 0.000 1.424 98 A CA -0.418 51.683 52.037 0.106 0.000 0.940 98 A CB 0.002 18.809 19.000 -0.322 0.000 1.149 98 A HN 0.961 nan 8.150 nan 0.000 0.505 99 R N 1.744 122.341 120.500 0.162 0.000 2.694 99 R HA 0.379 4.719 4.340 -0.000 0.000 0.268 99 R C -0.822 175.399 176.300 -0.132 0.000 1.061 99 R CA 0.070 55.983 56.100 -0.312 0.000 1.133 99 R CB 0.544 30.610 30.300 -0.390 0.000 1.020 99 R HN 0.385 nan 8.270 nan 0.000 0.475 100 V N 6.192 125.977 119.914 -0.216 0.000 2.483 100 V HA 0.274 4.394 4.120 -0.000 0.000 0.295 100 V C -1.507 174.321 176.094 -0.443 0.000 1.035 100 V CA -1.484 60.726 62.300 -0.149 0.000 0.896 100 V CB 1.580 33.445 31.823 0.071 0.000 0.986 100 V HN 0.873 nan 8.190 nan 0.000 0.447 101 P HA 0.163 nan 4.420 nan 0.000 0.193 101 P C 0.835 177.878 177.300 -0.429 0.000 1.119 101 P CA 0.411 63.163 63.100 -0.580 0.000 0.798 101 P CB 0.852 32.437 31.700 -0.192 0.000 0.698 102 L N -2.200 118.962 121.223 -0.101 0.000 2.537 102 L HA 0.202 4.542 4.340 -0.000 0.000 0.224 102 L C 2.000 178.866 176.870 -0.007 0.000 1.065 102 L CA 0.636 55.498 54.840 0.036 0.000 0.860 102 L CB -0.043 42.046 42.059 0.049 0.000 1.086 102 L HN -0.048 nan 8.230 nan 0.000 0.482 103 V N -2.642 117.249 119.914 -0.039 0.000 5.243 103 V HA 0.367 4.487 4.120 -0.000 0.000 0.129 103 V C -0.744 175.334 176.094 -0.027 0.000 0.924 103 V CA -0.170 62.094 62.300 -0.060 0.000 1.377 103 V CB 2.006 33.798 31.823 -0.053 0.000 2.235 103 V HN -0.304 nan 8.190 nan 0.000 0.454 104 V N 2.826 122.748 119.914 0.014 0.000 2.881 104 V HA 0.329 4.449 4.120 -0.000 0.000 0.254 104 V C 0.144 176.297 176.094 0.098 0.000 0.880 104 V CA 0.137 62.470 62.300 0.056 0.000 0.926 104 V CB 1.106 32.962 31.823 0.056 0.000 1.033 104 V HN 0.730 nan 8.190 nan 0.000 0.501 105 N N 3.045 121.800 118.700 0.091 0.000 2.503 105 N HA 0.175 4.915 4.740 -0.000 0.000 0.210 105 N C -2.005 173.616 175.510 0.184 0.000 1.077 105 N CA 0.063 53.197 53.050 0.139 0.000 0.855 105 N CB 0.586 39.121 38.487 0.080 0.000 1.323 105 N HN 0.445 nan 8.380 nan 0.000 0.452 106 P HA 0.111 nan 4.420 nan 0.000 0.276 106 P C -0.975 176.504 177.300 0.297 0.000 1.253 106 P CA -0.245 62.959 63.100 0.174 0.000 0.766 106 P CB 0.177 31.921 31.700 0.073 0.000 0.845 107 W N 4.352 125.727 121.300 0.126 0.000 2.390 107 W HA 0.436 5.096 4.660 -0.000 0.000 0.312 107 W C 0.455 177.038 176.519 0.107 0.000 1.123 107 W CA -0.029 57.373 57.345 0.095 0.000 1.202 107 W CB 1.703 31.070 29.460 -0.155 0.000 1.251 107 W HN 0.478 nan 8.180 nan 0.000 0.511 108 G N 2.552 111.600 108.800 0.412 0.000 2.580 108 G HA2 0.004 3.964 3.960 -0.000 0.000 0.225 108 G HA3 0.004 3.964 3.960 -0.000 0.000 0.225 108 G C 0.196 175.339 174.900 0.404 0.000 1.521 108 G CA 0.233 45.563 45.100 0.384 0.000 1.068 108 G HN 0.600 nan 8.290 nan 0.000 0.564 109 Q N -2.053 117.944 119.800 0.329 0.000 2.548 109 Q HA 0.393 4.733 4.340 -0.000 0.000 0.230 109 Q C 0.948 177.143 176.000 0.325 0.000 0.899 109 Q CA 0.698 56.674 55.803 0.287 0.000 0.936 109 Q CB 0.721 29.580 28.738 0.201 0.000 1.114 109 Q HN 1.138 nan 8.270 nan 0.000 0.606 110 G N 0.023 109.019 108.800 0.327 0.000 2.699 110 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.686 110 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.686 110 G C -0.651 174.417 174.900 0.281 0.000 1.301 110 G CA -0.262 45.051 45.100 0.356 0.000 0.816 110 G HN 0.092 nan 8.290 nan 0.000 0.595 111 T N 0.396 115.116 114.554 0.277 0.000 2.971 111 T HA 0.504 4.854 4.350 -0.000 0.000 0.304 111 T C -0.229 174.594 174.700 0.205 0.000 1.038 111 T CA -0.420 61.804 62.100 0.206 0.000 1.007 111 T CB 1.288 70.247 68.868 0.152 0.000 1.055 111 T HN 1.101 nan 8.240 nan 0.000 0.451 112 L N 5.224 126.561 121.223 0.189 0.000 2.462 112 L HA 0.423 4.762 4.340 -0.000 0.000 0.272 112 L C -0.278 176.658 176.870 0.110 0.000 1.166 112 L CA 0.387 55.339 54.840 0.187 0.000 0.880 112 L CB 0.625 42.800 42.059 0.193 0.000 1.142 112 L HN 0.418 nan 8.230 nan 0.000 0.473 113 V N 5.555 125.538 119.914 0.114 0.000 2.333 113 V HA 0.541 4.661 4.120 -0.000 0.000 0.274 113 V C 0.113 176.248 176.094 0.069 0.000 1.028 113 V CA -0.106 62.194 62.300 -0.000 0.000 0.851 113 V CB 1.348 33.041 31.823 -0.216 0.000 1.000 113 V HN 1.031 nan 8.190 nan 0.000 0.456 114 T N 2.989 117.567 114.554 0.040 0.000 2.888 114 T HA 0.747 5.097 4.350 -0.000 0.000 0.288 114 T C -0.817 173.898 174.700 0.025 0.000 1.063 114 T CA -0.827 61.306 62.100 0.054 0.000 1.010 114 T CB 2.180 71.099 68.868 0.086 0.000 1.214 114 T HN 0.187 nan 8.240 nan 0.000 0.533 115 V N 1.511 121.443 119.914 0.030 0.000 2.462 115 V HA 0.594 4.714 4.120 -0.000 0.000 0.288 115 V C -0.803 175.305 176.094 0.022 0.000 1.020 115 V CA -0.494 61.815 62.300 0.016 0.000 0.857 115 V CB 0.747 32.577 31.823 0.012 0.000 1.013 115 V HN 1.188 nan 8.190 nan 0.000 0.431 116 S N 3.473 119.184 115.700 0.018 0.000 3.893 116 S HA -0.091 4.379 4.470 -0.000 0.000 0.715 116 S C 0.480 175.096 174.600 0.027 0.000 0.531 116 S CA 0.384 58.594 58.200 0.018 0.000 1.402 116 S CB -1.302 61.908 63.200 0.017 0.000 0.776 116 S HN 1.307 nan 8.310 nan 0.000 0.969 117 S N -0.344 115.368 115.700 0.020 0.000 4.158 117 S HA 0.034 4.504 4.470 -0.000 0.000 0.604 117 S C 0.629 175.243 174.600 0.024 0.000 1.867 117 S CA 1.498 59.709 58.200 0.019 0.000 4.249 117 S CB -1.491 61.721 63.200 0.020 0.000 0.204 117 S HN 2.764 nan 8.310 nan 0.000 0.457 118 A N -0.803 122.042 122.820 0.041 0.000 2.435 118 A HA 0.374 4.694 4.320 -0.000 0.000 0.686 118 A C -0.003 177.562 177.584 -0.031 0.000 0.138 118 A CA 0.468 52.535 52.037 0.050 0.000 0.024 118 A CB -1.318 17.704 19.000 0.038 0.000 3.974 118 A HN 1.706 nan 8.150 nan 0.000 0.548 119 S N -0.804 114.838 115.700 -0.096 0.000 2.776 119 S HA 0.958 5.428 4.470 -0.000 0.000 0.306 119 S C 0.089 174.312 174.600 -0.628 0.000 1.114 119 S CA 0.065 58.155 58.200 -0.184 0.000 0.973 119 S CB 1.823 65.081 63.200 0.095 0.000 1.250 119 S HN 2.150 nan 8.310 nan 0.000 0.549 120 T N 2.115 116.419 114.554 -0.418 0.000 3.842 120 T HA 0.407 4.757 4.350 -0.000 0.000 0.336 120 T C -2.310 172.379 174.700 -0.019 0.000 0.900 120 T CA -0.744 61.144 62.100 -0.352 0.000 1.022 120 T CB -0.275 68.465 68.868 -0.213 0.000 1.068 120 T HN 0.526 nan 8.240 nan 0.000 0.464 121 K N 3.021 123.524 120.400 0.173 0.000 2.619 121 K HA 0.574 4.894 4.320 -0.000 0.000 0.251 121 K C 0.200 176.952 176.600 0.254 0.000 0.987 121 K CA -0.592 55.828 56.287 0.221 0.000 0.844 121 K CB 1.261 33.887 32.500 0.211 0.000 1.237 121 K HN 1.191 nan 8.250 nan 0.000 0.447 122 G N 4.326 113.224 108.800 0.163 0.000 3.222 122 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.685 122 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.685 122 G C -2.786 172.120 174.900 0.010 0.000 1.498 122 G CA -0.411 44.730 45.100 0.069 0.000 1.195 122 G HN 0.446 nan 8.290 nan 0.000 0.602 123 P HA 0.830 nan 4.420 nan 0.000 0.332 123 P C -0.230 177.049 177.300 -0.035 0.000 1.233 123 P CA -0.236 62.812 63.100 -0.088 0.000 0.836 123 P CB 2.570 34.032 31.700 -0.398 0.000 1.369 124 S N -2.209 113.498 115.700 0.012 0.000 2.715 124 S HA 0.593 5.063 4.470 -0.000 0.000 0.284 124 S C -1.591 173.030 174.600 0.036 0.000 1.216 124 S CA -0.312 57.886 58.200 -0.003 0.000 0.970 124 S CB 0.236 63.445 63.200 0.016 0.000 1.273 124 S HN 0.386 nan 8.310 nan 0.000 0.509 125 V N -0.336 119.541 119.914 -0.063 0.000 3.130 125 V HA 0.868 4.988 4.120 -0.000 0.000 0.310 125 V C -1.684 174.043 176.094 -0.611 0.000 1.158 125 V CA -0.704 61.511 62.300 -0.141 0.000 1.029 125 V CB 1.677 33.397 31.823 -0.172 0.000 1.057 125 V HN 0.744 nan 8.190 nan 0.000 0.436 126 F N 2.340 122.308 119.950 0.030 0.000 2.941 126 F HA 0.617 5.144 4.527 -0.000 0.000 0.359 126 F C -2.786 173.042 175.800 0.047 0.000 1.231 126 F CA -1.480 56.543 58.000 0.038 0.000 1.089 126 F CB 2.933 41.963 39.000 0.049 0.000 1.407 126 F HN 0.368 nan 8.300 nan 0.000 0.538 127 P HA 0.310 nan 4.420 nan 0.000 0.294 127 P C -0.650 176.749 177.300 0.165 0.000 1.389 127 P CA -0.330 62.837 63.100 0.113 0.000 0.875 127 P CB 1.214 32.929 31.700 0.025 0.000 1.018 128 L N 2.998 124.337 121.223 0.193 0.000 2.654 128 L HA 0.237 4.577 4.340 -0.000 0.000 0.271 128 L C 0.972 177.920 176.870 0.129 0.000 1.169 128 L CA 0.214 55.139 54.840 0.142 0.000 0.947 128 L CB -0.134 41.997 42.059 0.120 0.000 1.232 128 L HN 0.399 nan 8.230 nan 0.000 0.486 129 A N 6.797 129.674 122.820 0.095 0.000 2.303 129 A HA 0.774 5.094 4.320 -0.000 0.000 0.320 129 A C -2.167 175.445 177.584 0.046 0.000 1.192 129 A CA -1.267 50.816 52.037 0.076 0.000 0.821 129 A CB 0.555 19.598 19.000 0.072 0.000 1.188 129 A HN 0.517 nan 8.150 nan 0.000 0.492 130 P HA 0.278 nan 4.420 nan 0.000 0.278 130 P C -0.142 177.163 177.300 0.009 0.000 1.238 130 P CA -0.192 62.912 63.100 0.008 0.000 0.794 130 P CB 1.444 33.135 31.700 -0.015 0.000 0.955 131 S N 0.825 116.527 115.700 0.003 0.000 2.499 131 S HA 0.130 4.600 4.470 -0.000 0.000 0.275 131 S C 1.517 176.117 174.600 0.001 0.000 1.257 131 S CA -0.016 58.186 58.200 0.003 0.000 1.050 131 S CB -0.022 63.177 63.200 -0.002 0.000 0.937 131 S HN 0.486 nan 8.310 nan 0.000 0.490 132 S N 4.615 120.317 115.700 0.004 0.000 2.399 132 S HA -0.040 4.430 4.470 -0.000 0.000 0.231 132 S C 0.555 175.156 174.600 0.002 0.000 1.022 132 S CA 0.719 58.922 58.200 0.005 0.000 0.983 132 S CB -0.494 62.711 63.200 0.008 0.000 0.803 132 S HN 0.776 nan 8.310 nan 0.000 0.480 133 K N 3.610 124.011 120.400 0.001 0.000 2.395 133 K HA 0.123 4.443 4.320 -0.000 0.000 0.283 133 K C 0.028 176.626 176.600 -0.003 0.000 1.068 133 K CA -0.013 56.273 56.287 -0.001 0.000 1.039 133 K CB 0.215 32.713 32.500 -0.002 0.000 0.924 133 K HN 0.531 nan 8.250 nan 0.000 0.468 134 S N 2.025 117.723 115.700 -0.002 0.000 2.533 134 S HA 0.019 4.489 4.470 -0.000 0.000 0.282 134 S C 0.363 174.961 174.600 -0.004 0.000 1.304 134 S CA -0.762 57.436 58.200 -0.003 0.000 1.063 134 S CB 1.365 64.564 63.200 -0.001 0.000 0.881 134 S HN 0.517 nan 8.310 nan 0.000 0.493 135 T N 2.170 116.721 114.554 -0.005 0.000 2.927 135 T HA 0.433 4.783 4.350 -0.000 0.000 0.281 135 T C 0.093 174.791 174.700 -0.003 0.000 0.998 135 T CA -0.615 61.482 62.100 -0.005 0.000 1.019 135 T CB 0.672 69.537 68.868 -0.006 0.000 1.061 135 T HN 0.708 nan 8.240 nan 0.000 0.518 136 S N 1.982 117.680 115.700 -0.002 0.000 2.528 136 S HA 0.579 5.049 4.470 -0.000 0.000 0.277 136 S C 0.708 175.307 174.600 -0.001 0.000 1.297 136 S CA 0.310 58.510 58.200 -0.001 0.000 1.052 136 S CB 0.256 63.455 63.200 -0.001 0.000 0.917 136 S HN 1.290 nan 8.310 nan 0.000 0.492 137 G N 2.576 111.376 108.800 -0.001 0.000 2.632 137 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.224 137 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.224 137 G C 0.249 175.149 174.900 -0.000 0.000 1.341 137 G CA -0.504 44.596 45.100 -0.000 0.000 0.880 137 G HN 1.198 nan 8.290 nan 0.000 0.566 138 G N 0.204 109.004 108.800 0.000 0.000 3.541 138 G HA2 0.525 4.485 3.960 -0.000 0.000 0.253 138 G HA3 0.525 4.485 3.960 -0.000 0.000 0.253 138 G C 0.227 175.126 174.900 -0.002 0.000 1.017 138 G CA 1.105 46.205 45.100 0.001 0.000 1.832 138 G HN 0.916 nan 8.290 nan 0.000 0.649 139 T N 0.382 114.933 114.554 -0.005 0.000 2.829 139 T HA 0.719 5.069 4.350 -0.000 0.000 0.280 139 T C -0.290 174.400 174.700 -0.017 0.000 0.999 139 T CA -0.207 61.887 62.100 -0.011 0.000 0.983 139 T CB 1.988 70.852 68.868 -0.007 0.000 0.968 139 T HN 0.623 nan 8.240 nan 0.000 0.446 140 A N 1.857 124.658 122.820 -0.032 0.000 2.491 140 A HA 0.798 5.118 4.320 -0.000 0.000 0.293 140 A C -1.103 176.432 177.584 -0.081 0.000 1.047 140 A CA -0.797 51.210 52.037 -0.049 0.000 0.735 140 A CB 1.062 20.029 19.000 -0.054 0.000 1.281 140 A HN 1.125 nan 8.150 nan 0.000 0.398 141 A N 2.566 125.343 122.820 -0.072 0.000 2.357 141 A HA 0.754 5.074 4.320 -0.000 0.000 0.295 141 A C -0.383 177.157 177.584 -0.074 0.000 1.121 141 A CA -0.429 51.559 52.037 -0.081 0.000 0.742 141 A CB 0.279 19.263 19.000 -0.027 0.000 1.181 141 A HN 1.750 nan 8.150 nan 0.000 0.454 142 L N 1.092 122.240 121.223 -0.125 0.000 2.343 142 L HA 1.112 5.452 4.340 -0.000 0.000 0.264 142 L C 0.543 177.389 176.870 -0.040 0.000 1.050 142 L CA -0.606 54.189 54.840 -0.075 0.000 0.956 142 L CB 0.890 42.880 42.059 -0.114 0.000 1.576 142 L HN 0.942 nan 8.230 nan 0.000 0.521 143 G N -2.251 106.625 108.800 0.126 0.000 2.435 143 G HA2 0.495 4.455 3.960 -0.000 0.000 0.296 143 G HA3 0.495 4.455 3.960 -0.000 0.000 0.296 143 G C -2.146 173.128 174.900 0.623 0.000 1.240 143 G CA 0.039 45.331 45.100 0.318 0.000 0.872 143 G HN 0.830 nan 8.290 nan 0.000 0.480 144 c N -0.603 118.305 118.600 0.512 0.000 3.312 144 c HA 0.886 5.456 4.570 -0.000 0.000 0.332 144 c C -1.709 172.562 174.090 0.301 0.000 1.340 144 c CA -0.223 56.320 56.329 0.357 0.000 1.265 144 c CB 0.775 43.470 42.510 0.308 0.000 1.563 144 c HN 1.480 nan 8.230 nan 0.000 0.471 145 L N 1.702 123.075 121.223 0.250 0.000 2.643 145 L HA 0.872 5.212 4.340 -0.000 0.000 0.256 145 L C -1.873 175.162 176.870 0.276 0.000 0.931 145 L CA -0.608 54.387 54.840 0.258 0.000 0.895 145 L CB 1.405 43.602 42.059 0.230 0.000 1.430 145 L HN 0.389 nan 8.230 nan 0.000 0.419 146 V N 2.004 122.082 119.914 0.274 0.000 2.495 146 V HA 0.609 4.729 4.120 -0.000 0.000 0.298 146 V C -0.297 176.063 176.094 0.443 0.000 1.031 146 V CA -0.445 62.023 62.300 0.280 0.000 0.871 146 V CB 1.787 33.688 31.823 0.131 0.000 0.988 146 V HN 0.854 nan 8.190 nan 0.000 0.432 147 K N 3.077 123.736 120.400 0.431 0.000 2.371 147 K HA 0.416 4.736 4.320 -0.000 0.000 0.251 147 K C -0.503 176.330 176.600 0.388 0.000 0.934 147 K CA -0.478 56.045 56.287 0.392 0.000 0.798 147 K CB 1.433 34.163 32.500 0.384 0.000 1.204 147 K HN 0.698 nan 8.250 nan 0.000 0.427 148 D N 2.689 123.256 120.400 0.278 0.000 2.956 148 D HA -0.177 4.463 4.640 -0.000 0.000 0.240 148 D C -1.374 175.102 176.300 0.293 0.000 1.141 148 D CA 1.046 55.158 54.000 0.186 0.000 0.820 148 D CB -0.613 40.265 40.800 0.130 0.000 0.988 148 D HN 0.462 nan 8.370 nan 0.000 0.417 149 Y N -0.629 119.779 120.300 0.180 0.000 2.602 149 Y HA 0.829 5.379 4.550 -0.000 0.000 0.330 149 Y C -0.314 175.868 175.900 0.470 0.000 1.114 149 Y CA -1.763 56.461 58.100 0.206 0.000 1.182 149 Y CB 0.714 39.217 38.460 0.072 0.000 1.305 149 Y HN -0.006 nan 8.280 nan 0.000 0.502 150 F N 0.972 121.171 119.950 0.414 0.000 2.613 150 F HA 0.683 5.210 4.527 -0.000 0.000 0.310 150 F C -2.752 173.251 175.800 0.339 0.000 1.085 150 F CA -2.941 55.283 58.000 0.374 0.000 0.945 150 F CB 1.950 41.092 39.000 0.237 0.000 1.298 150 F HN 0.364 nan 8.300 nan 0.000 0.455 151 P HA -0.221 nan 4.420 nan 0.000 0.260 151 P C -0.762 176.609 177.300 0.119 0.000 1.137 151 P CA 0.824 64.031 63.100 0.178 0.000 0.795 151 P CB 0.369 32.090 31.700 0.035 0.000 0.641 152 Q N 2.827 122.585 119.800 -0.071 0.000 2.665 152 Q HA 0.428 4.768 4.340 -0.000 0.000 0.176 152 Q C -1.808 174.176 176.000 -0.028 0.000 1.025 152 Q CA -1.324 54.401 55.803 -0.130 0.000 0.953 152 Q CB -0.142 28.352 28.738 -0.405 0.000 2.143 152 Q HN 0.311 nan 8.270 nan 0.000 0.464 153 P HA -0.223 nan 4.420 nan 0.000 0.271 153 P C -1.354 175.922 177.300 -0.040 0.000 1.138 153 P CA 0.565 63.675 63.100 0.017 0.000 0.756 153 P CB 0.155 31.866 31.700 0.020 0.000 0.712 154 V N 2.178 122.087 119.914 -0.008 0.000 3.155 154 V HA 0.554 4.674 4.120 -0.000 0.000 0.313 154 V C 0.229 176.316 176.094 -0.011 0.000 1.162 154 V CA -0.355 61.923 62.300 -0.036 0.000 1.048 154 V CB 2.612 34.378 31.823 -0.095 0.000 1.092 154 V HN 0.586 nan 8.190 nan 0.000 0.447 155 T N 1.358 115.904 114.554 -0.013 0.000 3.241 155 T HA 0.345 4.695 4.350 -0.000 0.000 0.387 155 T C -0.641 174.062 174.700 0.006 0.000 1.451 155 T CA -0.160 61.942 62.100 0.002 0.000 1.363 155 T CB 0.522 69.385 68.868 -0.007 0.000 1.074 155 T HN 0.297 nan 8.240 nan 0.000 0.598 156 V N 2.724 122.657 119.914 0.032 0.000 2.353 156 V HA 0.399 4.519 4.120 -0.000 0.000 0.264 156 V C 0.336 176.481 176.094 0.084 0.000 1.049 156 V CA -0.339 61.989 62.300 0.048 0.000 0.896 156 V CB 0.702 32.585 31.823 0.101 0.000 1.025 156 V HN 0.714 nan 8.190 nan 0.000 0.475 157 S N 3.989 119.709 115.700 0.034 0.000 2.473 157 S HA 0.550 5.020 4.470 -0.000 0.000 0.307 157 S C -1.079 173.541 174.600 0.033 0.000 1.094 157 S CA -0.566 57.671 58.200 0.062 0.000 1.070 157 S CB 1.136 64.348 63.200 0.021 0.000 1.019 157 S HN 0.714 nan 8.310 nan 0.000 0.480 158 W N 3.185 124.508 121.300 0.039 0.000 2.329 158 W HA 0.427 5.087 4.660 -0.000 0.000 0.312 158 W C 0.459 177.013 176.519 0.058 0.000 1.054 158 W CA -0.017 57.363 57.345 0.058 0.000 1.245 158 W CB 0.557 30.059 29.460 0.071 0.000 1.255 158 W HN 0.816 nan 8.180 nan 0.000 0.436 159 N N 2.720 121.516 118.700 0.161 0.000 2.814 159 N HA -0.266 4.474 4.740 -0.000 0.000 0.247 159 N C 0.508 176.046 175.510 0.047 0.000 1.089 159 N CA 1.533 54.648 53.050 0.109 0.000 0.682 159 N CB -1.378 37.233 38.487 0.207 0.000 0.970 159 N HN 0.504 nan 8.380 nan 0.000 0.554 160 S N -2.706 112.994 115.700 -0.001 0.000 2.659 160 S HA -0.120 4.350 4.470 -0.000 0.000 0.264 160 S C 0.941 175.549 174.600 0.012 0.000 1.310 160 S CA 2.125 60.318 58.200 -0.013 0.000 1.262 160 S CB -1.456 61.740 63.200 -0.008 0.000 1.548 160 S HN 2.112 nan 8.310 nan 0.000 0.657 161 G N -0.369 108.463 108.800 0.053 0.000 2.276 161 G HA2 0.449 4.409 3.960 -0.000 0.000 0.177 161 G HA3 0.449 4.409 3.960 -0.000 0.000 0.177 161 G C -0.067 174.889 174.900 0.092 0.000 1.017 161 G CA 0.638 45.783 45.100 0.075 0.000 0.750 161 G HN 1.783 nan 8.290 nan 0.000 0.506 162 A N 0.084 122.968 122.820 0.106 0.000 2.381 162 A HA 0.987 5.307 4.320 -0.000 0.000 0.299 162 A C -0.245 177.414 177.584 0.126 0.000 1.049 162 A CA -0.138 51.953 52.037 0.091 0.000 0.715 162 A CB 1.499 20.531 19.000 0.055 0.000 1.222 162 A HN 1.780 nan 8.150 nan 0.000 0.428 163 L N 2.163 123.452 121.223 0.111 0.000 1.312 163 L HA -0.051 4.289 4.340 -0.000 0.000 0.650 163 L C 0.008 176.933 176.870 0.092 0.000 1.180 163 L CA 0.686 55.589 54.840 0.106 0.000 1.359 163 L CB -0.555 41.606 42.059 0.170 0.000 2.235 163 L HN 0.857 nan 8.230 nan 0.000 1.044 164 T N 0.010 114.594 114.554 0.050 0.000 3.243 164 T HA 0.383 4.733 4.350 -0.000 0.000 0.264 164 T C 0.313 175.004 174.700 -0.015 0.000 1.000 164 T CA 0.572 62.684 62.100 0.019 0.000 0.901 164 T CB -0.103 68.780 68.868 0.025 0.000 1.083 164 T HN 0.507 nan 8.240 nan 0.000 0.559 165 S N 0.533 116.226 115.700 -0.011 0.000 2.462 165 S HA 0.577 5.047 4.470 -0.000 0.000 0.294 165 S C 0.813 175.384 174.600 -0.049 0.000 1.144 165 S CA -0.408 57.779 58.200 -0.023 0.000 1.088 165 S CB 1.275 64.475 63.200 -0.001 0.000 1.009 165 S HN 0.658 nan 8.310 nan 0.000 0.484 166 G N 1.740 110.501 108.800 -0.065 0.000 2.247 166 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.265 166 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.265 166 G C -0.435 174.378 174.900 -0.145 0.000 0.861 166 G CA -0.146 44.899 45.100 -0.091 0.000 1.289 166 G HN 0.736 nan 8.290 nan 0.000 0.403 167 V N 3.628 123.457 119.914 -0.142 0.000 2.686 167 V HA 0.540 4.660 4.120 -0.000 0.000 0.306 167 V C -0.486 175.515 176.094 -0.155 0.000 1.065 167 V CA -1.044 61.154 62.300 -0.171 0.000 0.894 167 V CB 2.200 33.944 31.823 -0.131 0.000 1.004 167 V HN 0.689 nan 8.190 nan 0.000 0.424 168 H N 2.774 121.663 119.070 -0.302 0.000 2.953 168 H HA 0.387 4.943 4.556 -0.000 0.000 0.290 168 H C -0.392 174.681 175.328 -0.425 0.000 1.113 168 H CA -0.479 55.282 56.048 -0.478 0.000 1.454 168 H CB 1.417 30.664 29.762 -0.858 0.000 1.525 168 H HN 0.579 nan 8.280 nan 0.000 0.505 169 T N 6.902 121.464 114.554 0.013 0.000 2.840 169 T HA 0.082 4.432 4.350 -0.000 0.000 0.276 169 T C 0.378 175.181 174.700 0.173 0.000 0.912 169 T CA 0.005 62.171 62.100 0.110 0.000 1.116 169 T CB -0.963 67.955 68.868 0.083 0.000 0.895 169 T HN 0.224 nan 8.240 nan 0.000 0.570 170 F N 4.921 124.967 119.950 0.160 0.000 2.471 170 F HA 0.315 4.842 4.527 0.000 0.000 0.353 170 F C -1.647 174.184 175.800 0.051 0.000 1.113 170 F CA -2.174 55.844 58.000 0.030 0.000 1.262 170 F CB 0.394 39.328 39.000 -0.111 0.000 1.146 170 F HN 0.338 nan 8.300 nan 0.000 0.578 171 P HA 0.301 nan 4.420 nan 0.000 0.277 171 P C -0.967 176.402 177.300 0.115 0.000 1.240 171 P CA -0.479 62.699 63.100 0.129 0.000 0.798 171 P CB 0.739 32.469 31.700 0.050 0.000 0.979 172 A N 1.759 124.644 122.820 0.108 0.000 2.310 172 A HA 0.452 4.772 4.320 -0.000 0.000 0.260 172 A C -0.204 177.436 177.584 0.094 0.000 1.112 172 A CA -0.074 52.041 52.037 0.130 0.000 0.804 172 A CB 0.069 19.173 19.000 0.174 0.000 1.081 172 A HN 0.415 nan 8.150 nan 0.000 0.499 173 V N -0.235 119.741 119.914 0.102 0.000 2.962 173 V HA 0.564 4.684 4.120 -0.000 0.000 0.313 173 V C -1.456 174.638 176.094 0.001 0.000 1.099 173 V CA -0.528 61.791 62.300 0.032 0.000 0.971 173 V CB 1.945 33.758 31.823 -0.017 0.000 1.028 173 V HN 0.907 nan 8.190 nan 0.000 0.430 174 L N 4.404 125.555 121.223 -0.119 0.000 2.454 174 L HA 0.545 4.885 4.340 -0.000 0.000 0.258 174 L C 0.006 176.704 176.870 -0.287 0.000 1.025 174 L CA 0.169 54.786 54.840 -0.371 0.000 0.901 174 L CB 1.275 43.216 42.059 -0.197 0.000 1.210 174 L HN 0.750 nan 8.230 nan 0.000 0.457 175 Q N 1.156 120.754 119.800 -0.335 0.000 2.539 175 Q HA 0.049 4.389 4.340 -0.000 0.000 0.268 175 Q C 1.064 176.950 176.000 -0.191 0.000 1.109 175 Q CA 0.741 56.405 55.803 -0.231 0.000 0.968 175 Q CB 0.601 29.196 28.738 -0.238 0.000 1.309 175 Q HN 0.724 nan 8.270 nan 0.000 0.497 176 S N -0.317 115.300 115.700 -0.138 0.000 2.555 176 S HA -0.081 4.389 4.470 -0.000 0.000 0.230 176 S C 1.430 175.962 174.600 -0.113 0.000 0.978 176 S CA 0.868 59.003 58.200 -0.108 0.000 0.934 176 S CB 0.011 63.164 63.200 -0.079 0.000 0.766 176 S HN 0.660 nan 8.310 nan 0.000 0.533 177 S N -0.298 115.314 115.700 -0.148 0.000 2.456 177 S HA 0.393 4.863 4.470 -0.000 0.000 0.224 177 S C 1.494 175.961 174.600 -0.222 0.000 1.035 177 S CA 0.591 58.694 58.200 -0.161 0.000 0.940 177 S CB 0.143 63.247 63.200 -0.160 0.000 0.799 177 S HN 0.623 nan 8.310 nan 0.000 0.508 178 G N 0.674 109.307 108.800 -0.279 0.000 2.164 178 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.154 178 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.154 178 G C -0.106 174.462 174.900 -0.553 0.000 1.014 178 G CA -0.061 44.820 45.100 -0.366 0.000 0.683 178 G HN 0.302 nan 8.290 nan 0.000 0.500 179 L N -0.708 120.219 121.223 -0.494 0.000 2.751 179 L HA 0.819 5.159 4.340 -0.000 0.000 0.241 179 L C 0.410 176.885 176.870 -0.658 0.000 1.146 179 L CA -0.696 53.859 54.840 -0.475 0.000 0.879 179 L CB 0.235 42.141 42.059 -0.255 0.000 1.687 179 L HN 0.132 nan 8.230 nan 0.000 0.527 180 Y N -1.535 118.563 120.300 -0.337 0.000 2.562 180 Y HA 0.522 5.072 4.550 -0.000 0.000 0.345 180 Y C -0.301 175.320 175.900 -0.465 0.000 1.045 180 Y CA -0.645 57.127 58.100 -0.545 0.000 1.028 180 Y CB 2.213 39.976 38.460 -1.162 0.000 1.297 180 Y HN 0.350 nan 8.280 nan 0.000 0.463 181 S N 2.348 117.991 115.700 -0.095 0.000 2.590 181 S HA 0.630 5.100 4.470 -0.000 0.000 0.286 181 S C -1.781 172.897 174.600 0.130 0.000 1.147 181 S CA -0.729 57.516 58.200 0.074 0.000 0.963 181 S CB 0.761 63.973 63.200 0.020 0.000 1.124 181 S HN 0.604 nan 8.310 nan 0.000 0.458 182 L N 0.487 121.853 121.223 0.237 0.000 2.277 182 L HA 1.046 5.386 4.340 -0.000 0.000 0.254 182 L C -0.211 176.790 176.870 0.219 0.000 1.044 182 L CA -0.560 54.411 54.840 0.219 0.000 0.842 182 L CB 1.378 43.595 42.059 0.263 0.000 1.422 182 L HN 0.447 nan 8.230 nan 0.000 0.422 183 S N -0.801 115.037 115.700 0.229 0.000 2.745 183 S HA 0.862 5.332 4.470 -0.000 0.000 0.306 183 S C -0.701 174.095 174.600 0.327 0.000 1.137 183 S CA -0.679 57.676 58.200 0.259 0.000 0.900 183 S CB 1.523 64.839 63.200 0.194 0.000 1.176 183 S HN 0.830 nan 8.310 nan 0.000 0.520 184 S N 0.838 116.753 115.700 0.359 0.000 2.392 184 S HA 0.383 4.853 4.470 -0.000 0.000 0.246 184 S C -1.385 173.409 174.600 0.324 0.000 0.999 184 S CA -0.415 57.992 58.200 0.345 0.000 1.059 184 S CB 0.285 63.722 63.200 0.396 0.000 1.194 184 S HN 0.484 nan 8.310 nan 0.000 0.421 185 V N 4.055 124.065 119.914 0.160 0.000 2.713 185 V HA 0.659 4.779 4.120 -0.000 0.000 0.307 185 V C -0.152 175.740 176.094 -0.337 0.000 1.052 185 V CA -0.522 61.776 62.300 -0.003 0.000 0.967 185 V CB 2.045 34.000 31.823 0.220 0.000 1.019 185 V HN 0.616 nan 8.190 nan 0.000 0.459 186 V N 3.197 122.811 119.914 -0.501 0.000 2.325 186 V HA 0.293 4.413 4.120 -0.000 0.000 0.280 186 V C 0.172 176.060 176.094 -0.345 0.000 1.016 186 V CA -0.280 61.658 62.300 -0.603 0.000 0.818 186 V CB 1.884 33.008 31.823 -1.165 0.000 1.019 186 V HN 1.023 nan 8.190 nan 0.000 0.434 187 T N 4.592 119.017 114.554 -0.215 0.000 3.465 187 T HA 0.393 4.743 4.350 -0.000 0.000 0.323 187 T C -0.018 174.624 174.700 -0.097 0.000 1.774 187 T CA -0.249 61.778 62.100 -0.121 0.000 1.348 187 T CB 0.043 68.870 68.868 -0.068 0.000 1.147 187 T HN 0.510 nan 8.240 nan 0.000 0.778 188 V N -1.350 118.502 119.914 -0.103 0.000 3.204 188 V HA 0.763 4.883 4.120 -0.000 0.000 0.316 188 V C -2.621 173.464 176.094 -0.014 0.000 1.160 188 V CA -3.311 58.968 62.300 -0.034 0.000 1.044 188 V CB 0.762 32.606 31.823 0.036 0.000 1.136 188 V HN 0.100 nan 8.190 nan 0.000 0.455 189 P HA 0.023 nan 4.420 nan 0.000 0.264 189 P C 0.842 178.160 177.300 0.030 0.000 1.179 189 P CA 0.811 63.927 63.100 0.027 0.000 0.763 189 P CB 0.635 32.360 31.700 0.041 0.000 0.806 190 S N 0.939 116.649 115.700 0.016 0.000 2.428 190 S HA -0.090 4.380 4.470 -0.000 0.000 0.230 190 S C 1.723 176.343 174.600 0.032 0.000 1.014 190 S CA 0.993 59.201 58.200 0.014 0.000 0.957 190 S CB -0.668 62.536 63.200 0.006 0.000 0.784 190 S HN 0.423 nan 8.310 nan 0.000 0.499 191 S N 1.980 117.703 115.700 0.038 0.000 2.406 191 S HA 0.096 4.566 4.470 -0.000 0.000 0.224 191 S C 1.797 176.437 174.600 0.066 0.000 1.030 191 S CA 0.736 58.962 58.200 0.043 0.000 0.958 191 S CB -0.315 62.906 63.200 0.034 0.000 0.811 191 S HN 0.565 nan 8.310 nan 0.000 0.489 192 S N 1.258 117.010 115.700 0.087 0.000 2.660 192 S HA 0.172 4.642 4.470 -0.000 0.000 0.228 192 S C 0.043 174.780 174.600 0.228 0.000 0.966 192 S CA 0.241 58.519 58.200 0.130 0.000 0.940 192 S CB -0.236 63.050 63.200 0.144 0.000 0.773 192 S HN 0.161 nan 8.310 nan 0.000 0.535 193 L N 0.840 122.172 121.223 0.181 0.000 2.289 193 L HA 0.612 4.952 4.340 -0.000 0.000 0.285 193 L C 1.270 178.224 176.870 0.139 0.000 1.049 193 L CA 0.599 55.556 54.840 0.195 0.000 0.804 193 L CB 0.786 42.893 42.059 0.080 0.000 1.195 193 L HN 0.241 nan 8.230 nan 0.000 0.428 194 G N 1.917 110.811 108.800 0.157 0.000 2.383 194 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.229 194 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.229 194 G C 1.042 175.994 174.900 0.086 0.000 1.089 194 G CA 0.603 45.766 45.100 0.105 0.000 0.640 194 G HN 0.516 nan 8.290 nan 0.000 0.510 195 T N 0.615 115.219 114.554 0.085 0.000 3.055 195 T HA 0.270 4.620 4.350 -0.000 0.000 0.265 195 T C 0.862 175.580 174.700 0.030 0.000 1.111 195 T CA 1.857 63.989 62.100 0.054 0.000 1.118 195 T CB 0.158 69.058 68.868 0.054 0.000 0.909 195 T HN 0.645 nan 8.240 nan 0.000 0.501 196 Q N 0.138 119.959 119.800 0.036 0.000 2.462 196 Q HA 0.308 4.648 4.340 -0.000 0.000 0.285 196 Q C -1.638 174.324 176.000 -0.064 0.000 1.035 196 Q CA -0.407 55.348 55.803 -0.081 0.000 0.799 196 Q CB 2.219 30.807 28.738 -0.250 0.000 1.452 196 Q HN 0.035 nan 8.270 nan 0.000 0.404 197 T N 2.616 117.091 114.554 -0.131 0.000 2.744 197 T HA 0.473 4.823 4.350 -0.000 0.000 0.291 197 T C -1.309 173.309 174.700 -0.136 0.000 0.957 197 T CA 0.040 62.117 62.100 -0.039 0.000 1.002 197 T CB -0.083 68.773 68.868 -0.021 0.000 0.919 197 T HN 0.253 nan 8.240 nan 0.000 0.468 198 Y N 2.718 123.104 120.300 0.143 0.000 2.364 198 Y HA 0.639 5.189 4.550 -0.000 0.000 0.340 198 Y C 0.109 176.101 175.900 0.153 0.000 0.975 198 Y CA -1.135 57.131 58.100 0.276 0.000 1.089 198 Y CB 1.241 39.960 38.460 0.431 0.000 1.192 198 Y HN 0.473 nan 8.280 nan 0.000 0.454 199 I N 2.809 123.454 120.570 0.125 0.000 2.533 199 I HA 0.301 4.471 4.170 -0.000 0.000 0.290 199 I C -0.880 174.773 176.117 -0.773 0.000 1.056 199 I CA -0.808 60.364 61.300 -0.214 0.000 1.057 199 I CB 1.761 39.697 38.000 -0.107 0.000 1.240 199 I HN 0.603 nan 8.210 nan 0.000 0.423 200 c N 6.880 124.887 118.600 -0.988 0.000 2.394 200 c HA 0.418 4.988 4.570 -0.000 0.000 0.362 200 c C -0.272 173.485 174.090 -0.555 0.000 1.268 200 c CA -0.225 55.402 56.329 -1.169 0.000 1.828 200 c CB -1.165 40.914 42.510 -0.718 0.000 2.442 200 c HN 0.821 nan 8.230 nan 0.000 0.549 201 N N 5.820 124.274 118.700 -0.410 0.000 2.609 201 N HA 0.319 5.059 4.740 -0.000 0.000 0.268 201 N C -0.901 174.527 175.510 -0.136 0.000 1.106 201 N CA -0.443 52.480 53.050 -0.213 0.000 0.823 201 N CB 1.723 40.119 38.487 -0.151 0.000 1.263 201 N HN 0.457 nan 8.380 nan 0.000 0.533 202 V N 1.797 121.641 119.914 -0.116 0.000 3.262 202 V HA 0.500 4.620 4.120 -0.000 0.000 0.313 202 V C 0.249 176.311 176.094 -0.054 0.000 1.070 202 V CA -0.547 61.708 62.300 -0.075 0.000 1.049 202 V CB 1.725 33.500 31.823 -0.080 0.000 1.157 202 V HN 0.734 nan 8.190 nan 0.000 0.454 203 N N 0.137 118.817 118.700 -0.034 0.000 2.516 203 N HA 0.303 5.043 4.740 -0.000 0.000 0.268 203 N C -1.600 173.924 175.510 0.024 0.000 1.096 203 N CA -0.556 52.488 53.050 -0.010 0.000 0.954 203 N CB 1.538 40.017 38.487 -0.014 0.000 1.676 203 N HN 0.823 nan 8.380 nan 0.000 0.490 204 H N 1.438 120.455 119.070 -0.088 0.000 2.840 204 H HA 0.411 4.967 4.556 -0.000 0.000 0.340 204 H C 0.029 175.325 175.328 -0.054 0.000 1.004 204 H CA -0.522 55.469 56.048 -0.095 0.000 1.288 204 H CB 1.596 31.277 29.762 -0.134 0.000 1.607 204 H HN 0.610 nan 8.280 nan 0.000 0.522 205 K N 3.895 124.228 120.400 -0.111 0.000 2.334 205 K HA 0.136 4.456 4.320 -0.000 0.000 0.195 205 K C -1.055 175.461 176.600 -0.140 0.000 1.045 205 K CA -0.163 56.071 56.287 -0.089 0.000 1.004 205 K CB -0.055 32.396 32.500 -0.081 0.000 0.837 205 K HN 0.467 nan 8.250 nan 0.000 0.510 206 P HA -0.085 nan 4.420 nan 0.000 0.217 206 P C 0.533 177.849 177.300 0.028 0.000 1.148 206 P CA 1.197 64.178 63.100 -0.198 0.000 0.828 206 P CB 0.283 31.776 31.700 -0.345 0.000 0.783 207 S N -2.524 113.311 115.700 0.225 0.000 3.128 207 S HA 0.232 4.702 4.470 -0.000 0.000 0.171 207 S C 0.700 175.376 174.600 0.127 0.000 0.707 207 S CA 0.036 58.354 58.200 0.197 0.000 0.851 207 S CB -0.008 63.329 63.200 0.229 0.000 0.872 207 S HN 0.051 nan 8.310 nan 0.000 0.724 208 N N 0.129 118.902 118.700 0.122 0.000 2.939 208 N HA 0.045 4.785 4.740 -0.000 0.000 0.185 208 N C -1.821 173.712 175.510 0.037 0.000 1.249 208 N CA 0.118 53.205 53.050 0.061 0.000 2.154 208 N CB 0.657 39.166 38.487 0.035 0.000 1.223 208 N HN 0.274 nan 8.380 nan 0.000 0.707 209 T N 0.392 114.967 114.554 0.036 0.000 2.758 209 T HA 0.488 4.838 4.350 -0.000 0.000 0.285 209 T C -0.534 174.154 174.700 -0.020 0.000 0.981 209 T CA -0.524 61.570 62.100 -0.010 0.000 0.965 209 T CB 1.743 70.583 68.868 -0.045 0.000 0.927 209 T HN -0.013 nan 8.240 nan 0.000 0.448 210 K N 1.918 122.300 120.400 -0.030 0.000 2.385 210 K HA 0.875 5.195 4.320 -0.000 0.000 0.248 210 K C -1.039 175.526 176.600 -0.058 0.000 0.955 210 K CA -1.043 55.219 56.287 -0.041 0.000 0.816 210 K CB 2.563 35.045 32.500 -0.031 0.000 1.250 210 K HN 0.449 nan 8.250 nan 0.000 0.434 211 V N -1.062 118.807 119.914 -0.076 0.000 3.226 211 V HA 0.490 4.610 4.120 -0.000 0.000 0.304 211 V C -1.840 174.184 176.094 -0.116 0.000 1.336 211 V CA -1.178 61.065 62.300 -0.094 0.000 1.066 211 V CB 2.372 34.128 31.823 -0.110 0.000 1.087 211 V HN 0.907 nan 8.190 nan 0.000 0.451 212 D N -0.022 120.302 120.400 -0.126 0.000 2.871 212 D HA 0.756 5.396 4.640 -0.000 0.000 0.209 212 D C -1.113 175.102 176.300 -0.142 0.000 1.292 212 D CA -0.424 53.488 54.000 -0.146 0.000 0.869 212 D CB 2.195 42.932 40.800 -0.105 0.000 1.663 212 D HN 0.657 nan 8.370 nan 0.000 0.557 213 K N 0.753 121.047 120.400 -0.176 0.000 2.597 213 K HA 0.635 4.955 4.320 -0.000 0.000 0.282 213 K C -0.990 175.561 176.600 -0.083 0.000 0.975 213 K CA -0.656 55.563 56.287 -0.114 0.000 0.867 213 K CB 2.023 34.467 32.500 -0.094 0.000 1.465 213 K HN 0.217 nan 8.250 nan 0.000 0.417 214 R N -0.182 120.323 120.500 0.007 0.000 2.641 214 R HA 0.784 5.124 4.340 -0.000 0.000 0.197 214 R C -0.679 175.710 176.300 0.149 0.000 1.408 214 R CA -0.715 55.441 56.100 0.094 0.000 1.040 214 R CB 0.419 30.766 30.300 0.078 0.000 2.279 214 R HN 0.260 nan 8.270 nan 0.000 0.520 215 V N -2.094 117.911 119.914 0.153 0.000 3.279 215 V HA 0.802 4.922 4.120 -0.000 0.000 0.296 215 V C -2.032 174.127 176.094 0.109 0.000 1.470 215 V CA 0.040 62.421 62.300 0.134 0.000 1.065 215 V CB 2.157 34.083 31.823 0.173 0.000 1.124 215 V HN 0.866 nan 8.190 nan 0.000 0.461 216 A N 2.870 125.738 122.820 0.080 0.000 2.592 216 A HA 0.848 5.168 4.320 -0.000 0.000 0.300 216 A C -3.254 174.357 177.584 0.046 0.000 0.994 216 A CA -0.068 52.010 52.037 0.068 0.000 0.707 216 A CB 1.118 20.153 19.000 0.058 0.000 1.273 216 A HN 0.883 nan 8.150 nan 0.000 0.413 217 P HA 0.862 nan 4.420 nan 0.000 0.348 217 P C -0.877 176.439 177.300 0.027 0.000 1.208 217 P CA -0.132 62.985 63.100 0.029 0.000 0.780 217 P CB 1.535 33.252 31.700 0.028 0.000 1.684 218 E N -1.254 118.959 120.200 0.022 0.000 2.393 218 E HA 0.568 4.918 4.350 -0.000 0.000 0.282 218 E C -2.149 174.460 176.600 0.015 0.000 1.096 218 E CA -0.723 55.688 56.400 0.019 0.000 0.866 218 E CB 1.506 31.216 29.700 0.016 0.000 1.232 218 E HN 0.508 nan 8.360 nan 0.000 0.431 219 L N 2.524 123.755 121.223 0.013 0.000 4.283 219 L HA 0.249 4.589 4.340 -0.000 0.000 0.228 219 L C -1.902 174.972 176.870 0.006 0.000 1.034 219 L CA -0.882 53.963 54.840 0.009 0.000 0.996 219 L CB 0.550 42.614 42.059 0.007 0.000 1.535 219 L HN 0.715 nan 8.230 nan 0.000 0.384 220 L N 3.527 124.752 121.223 0.003 0.000 4.610 220 L HA 0.321 4.660 4.340 -0.000 0.000 0.572 220 L C 0.297 177.164 176.870 -0.004 0.000 1.036 220 L CA 2.248 57.087 54.840 -0.000 0.000 0.476 220 L CB -0.638 41.419 42.059 -0.003 0.000 0.462 220 L HN 1.292 nan 8.230 nan 0.000 1.143 221 G N 2.637 111.436 108.800 -0.001 0.000 2.270 221 G HA2 0.636 4.596 3.960 -0.000 0.000 0.295 221 G HA3 0.636 4.596 3.960 -0.000 0.000 0.295 221 G C -0.576 174.327 174.900 0.005 0.000 1.732 221 G CA -0.180 44.919 45.100 -0.002 0.000 0.909 221 G HN 1.682 nan 8.290 nan 0.000 0.730 222 G N 3.148 111.952 108.800 0.007 0.000 2.374 222 G HA2 0.681 4.641 3.960 -0.000 0.000 0.298 222 G HA3 0.681 4.641 3.960 -0.000 0.000 0.298 222 G C -1.967 172.940 174.900 0.012 0.000 2.674 222 G CA -0.126 44.980 45.100 0.009 0.000 0.775 222 G HN 0.665 nan 8.290 nan 0.000 0.437 223 P HA 0.564 nan 4.420 nan 0.000 0.274 223 P C -0.115 177.202 177.300 0.028 0.000 1.264 223 P CA -0.116 63.000 63.100 0.026 0.000 0.795 223 P CB 1.144 32.862 31.700 0.031 0.000 1.064 224 S N -1.160 114.570 115.700 0.050 0.000 2.570 224 S HA 0.568 5.038 4.470 -0.000 0.000 0.286 224 S C -0.469 174.186 174.600 0.093 0.000 1.099 224 S CA -0.601 57.638 58.200 0.065 0.000 0.913 224 S CB 1.679 64.933 63.200 0.090 0.000 1.085 224 S HN 0.274 nan 8.310 nan 0.000 0.480 225 V N 2.018 121.983 119.914 0.085 0.000 3.074 225 V HA 0.784 4.904 4.120 -0.000 0.000 0.314 225 V C -1.443 174.736 176.094 0.142 0.000 1.117 225 V CA -0.535 61.828 62.300 0.105 0.000 1.014 225 V CB 1.966 33.799 31.823 0.016 0.000 1.057 225 V HN 0.859 nan 8.190 nan 0.000 0.438 226 F N 1.512 121.484 119.950 0.036 0.000 2.725 226 F HA 0.608 5.135 4.527 -0.000 0.000 0.309 226 F C -1.292 174.379 175.800 -0.215 0.000 1.132 226 F CA -0.462 57.467 58.000 -0.119 0.000 0.957 226 F CB 1.573 40.498 39.000 -0.124 0.000 1.286 226 F HN 0.270 nan 8.300 nan 0.000 0.440 227 L N 3.519 124.655 121.223 -0.145 0.000 2.365 227 L HA 0.631 4.971 4.340 -0.000 0.000 0.273 227 L C -1.538 175.009 176.870 -0.538 0.000 1.000 227 L CA -0.626 54.095 54.840 -0.198 0.000 0.819 227 L CB 1.840 43.852 42.059 -0.078 0.000 1.284 227 L HN 0.469 nan 8.230 nan 0.000 0.418 228 F N 2.948 123.031 119.950 0.221 0.000 2.563 228 F HA 0.553 5.080 4.527 -0.000 0.000 0.316 228 F C -1.971 173.865 175.800 0.060 0.000 1.076 228 F CA -2.184 55.897 58.000 0.134 0.000 0.921 228 F CB 1.476 40.516 39.000 0.066 0.000 1.209 228 F HN 0.254 nan 8.300 nan 0.000 0.462 229 P HA 0.131 nan 4.420 nan 0.000 0.268 229 P C -2.649 174.581 177.300 -0.117 0.000 1.205 229 P CA -1.001 62.113 63.100 0.024 0.000 0.771 229 P CB 0.021 31.756 31.700 0.059 0.000 0.858 230 P HA 0.182 nan 4.420 nan 0.000 0.272 230 P C -0.305 176.818 177.300 -0.294 0.000 1.223 230 P CA -0.107 62.774 63.100 -0.365 0.000 0.784 230 P CB 0.453 31.820 31.700 -0.557 0.000 0.923 231 K N 3.505 123.786 120.400 -0.198 0.000 2.401 231 K HA 0.108 4.428 4.320 -0.000 0.000 0.278 231 K C -1.617 174.892 176.600 -0.152 0.000 1.018 231 K CA -1.073 55.137 56.287 -0.128 0.000 0.981 231 K CB -0.515 31.932 32.500 -0.088 0.000 0.933 231 K HN 0.286 nan 8.250 nan 0.000 0.477 232 P HA -0.115 nan 4.420 nan 0.000 0.226 232 P C 0.450 177.661 177.300 -0.149 0.000 1.153 232 P CA 0.977 64.021 63.100 -0.094 0.000 0.777 232 P CB 0.323 32.092 31.700 0.115 0.000 0.794 233 K N -0.610 119.739 120.400 -0.086 0.000 2.262 233 K HA -0.051 4.269 4.320 -0.000 0.000 0.200 233 K C 1.412 177.977 176.600 -0.059 0.000 1.049 233 K CA 1.006 57.250 56.287 -0.071 0.000 0.979 233 K CB -0.216 32.262 32.500 -0.038 0.000 0.773 233 K HN -0.118 nan 8.250 nan 0.000 0.474 234 D N -0.311 120.043 120.400 -0.077 0.000 2.123 234 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 234 D C 1.833 178.110 176.300 -0.039 0.000 0.976 234 D CA 1.866 55.824 54.000 -0.071 0.000 0.831 234 D CB -0.270 40.448 40.800 -0.138 0.000 0.974 234 D HN 0.433 nan 8.370 nan 0.000 0.469 235 T N -1.331 113.160 114.554 -0.105 0.000 2.896 235 T HA -0.003 4.347 4.350 -0.000 0.000 0.263 235 T C 2.164 176.928 174.700 0.108 0.000 1.050 235 T CA 0.434 62.509 62.100 -0.041 0.000 1.140 235 T CB -0.429 68.313 68.868 -0.211 0.000 0.877 235 T HN 0.087 nan 8.240 nan 0.000 0.457 236 L N -0.398 120.812 121.223 -0.021 0.000 2.313 236 L HA 0.270 4.610 4.340 -0.000 0.000 0.214 236 L C 1.230 178.081 176.870 -0.033 0.000 1.119 236 L CA 0.467 55.276 54.840 -0.052 0.000 0.809 236 L CB -0.190 41.772 42.059 -0.162 0.000 0.933 236 L HN 0.333 nan 8.230 nan 0.000 0.449 237 M N 0.445 120.045 119.600 0.000 0.000 2.084 237 M HA 0.133 4.613 4.480 -0.000 0.000 0.351 237 M C 1.023 177.258 176.300 -0.108 0.000 1.240 237 M CA -0.036 55.245 55.300 -0.031 0.000 1.083 237 M CB 1.695 34.292 32.600 -0.006 0.000 1.593 237 M HN 0.039 nan 8.290 nan 0.000 0.463 238 I N 0.728 121.151 120.570 -0.246 0.000 2.567 238 I HA -0.220 3.950 4.170 -0.000 0.000 0.257 238 I C 1.599 177.563 176.117 -0.255 0.000 1.184 238 I CA 1.106 62.153 61.300 -0.422 0.000 1.451 238 I CB -0.259 37.607 38.000 -0.222 0.000 1.089 238 I HN 0.600 nan 8.210 nan 0.000 0.441 239 S N -0.647 114.996 115.700 -0.095 0.000 2.523 239 S HA 0.216 4.686 4.470 -0.000 0.000 0.217 239 S C 0.782 175.400 174.600 0.031 0.000 0.996 239 S CA -0.279 57.908 58.200 -0.022 0.000 0.921 239 S CB 0.232 63.415 63.200 -0.029 0.000 0.829 239 S HN 0.284 nan 8.310 nan 0.000 0.495 240 R N 2.089 122.638 120.500 0.082 0.000 2.711 240 R HA 0.394 4.734 4.340 -0.000 0.000 0.284 240 R C -1.220 175.148 176.300 0.114 0.000 0.968 240 R CA -0.289 55.851 56.100 0.066 0.000 0.924 240 R CB 1.181 31.496 30.300 0.025 0.000 1.162 240 R HN 0.097 nan 8.270 nan 0.000 0.465 241 T N 3.499 118.056 114.554 0.006 0.000 2.762 241 T HA 0.323 4.673 4.350 -0.000 0.000 0.303 241 T C -2.329 172.269 174.700 -0.169 0.000 0.977 241 T CA -1.636 60.417 62.100 -0.078 0.000 0.961 241 T CB 1.114 69.954 68.868 -0.047 0.000 0.944 241 T HN 0.385 nan 8.240 nan 0.000 0.481 242 P HA 0.383 nan 4.420 nan 0.000 0.276 242 P C -0.660 176.480 177.300 -0.267 0.000 1.252 242 P CA -0.375 62.536 63.100 -0.315 0.000 0.802 242 P CB 0.825 32.271 31.700 -0.423 0.000 1.035 243 E N -0.965 119.076 120.200 -0.265 0.000 2.478 243 E HA 0.314 4.664 4.350 -0.000 0.000 0.293 243 E C -1.849 174.632 176.600 -0.198 0.000 1.011 243 E CA -0.895 55.376 56.400 -0.216 0.000 0.834 243 E CB 0.734 30.330 29.700 -0.174 0.000 1.226 243 E HN 0.045 nan 8.360 nan 0.000 0.419 244 V N 1.943 121.759 119.914 -0.162 0.000 2.483 244 V HA 0.552 4.672 4.120 -0.000 0.000 0.295 244 V C -0.471 175.690 176.094 0.112 0.000 1.035 244 V CA 0.004 62.288 62.300 -0.027 0.000 0.896 244 V CB 1.875 33.670 31.823 -0.047 0.000 0.986 244 V HN 0.821 nan 8.190 nan 0.000 0.447 245 T N 3.116 117.805 114.554 0.224 0.000 2.861 245 T HA 0.292 4.642 4.350 -0.000 0.000 0.287 245 T C -0.765 174.175 174.700 0.401 0.000 1.003 245 T CA -0.395 61.871 62.100 0.277 0.000 0.977 245 T CB 1.386 70.358 68.868 0.172 0.000 0.996 245 T HN 0.651 nan 8.240 nan 0.000 0.448 246 c N 4.092 122.911 118.600 0.364 0.000 2.250 246 c HA 0.612 5.182 4.570 -0.000 0.000 0.319 246 c C 0.410 174.683 174.090 0.305 0.000 1.124 246 c CA -0.432 56.091 56.329 0.323 0.000 1.527 246 c CB -1.275 41.403 42.510 0.279 0.000 2.001 246 c HN 0.836 nan 8.230 nan 0.000 0.435 247 V N 7.073 127.223 119.914 0.394 0.000 2.530 247 V HA 0.494 4.614 4.120 -0.000 0.000 0.282 247 V C -0.140 176.151 176.094 0.328 0.000 1.048 247 V CA 0.410 62.912 62.300 0.337 0.000 0.997 247 V CB 1.608 33.654 31.823 0.371 0.000 0.987 247 V HN 0.666 nan 8.190 nan 0.000 0.477 248 V N 6.999 127.080 119.914 0.278 0.000 2.531 248 V HA 0.625 4.745 4.120 -0.000 0.000 0.301 248 V C -0.329 175.861 176.094 0.159 0.000 1.034 248 V CA -0.534 61.896 62.300 0.216 0.000 0.865 248 V CB 1.787 33.728 31.823 0.198 0.000 0.995 248 V HN 0.753 nan 8.190 nan 0.000 0.424 249 V N 0.262 120.258 119.914 0.137 0.000 3.126 249 V HA 0.728 4.848 4.120 -0.000 0.000 0.314 249 V C 0.228 176.377 176.094 0.092 0.000 1.138 249 V CA -0.882 61.482 62.300 0.106 0.000 1.034 249 V CB 1.833 33.726 31.823 0.117 0.000 1.075 249 V HN 0.775 nan 8.190 nan 0.000 0.442 250 D N -0.798 119.647 120.400 0.075 0.000 3.077 250 D HA -0.203 4.437 4.640 -0.000 0.000 0.217 250 D C 1.371 177.694 176.300 0.038 0.000 1.162 250 D CA 1.102 55.130 54.000 0.045 0.000 0.943 250 D CB -1.201 39.624 40.800 0.042 0.000 1.122 250 D HN 0.570 nan 8.370 nan 0.000 0.413 251 V N 0.219 120.179 119.914 0.077 0.000 2.262 251 V HA -0.389 3.731 4.120 -0.000 0.000 0.254 251 V C 1.635 177.778 176.094 0.082 0.000 1.050 251 V CA 3.363 65.733 62.300 0.117 0.000 1.080 251 V CB -1.052 30.927 31.823 0.261 0.000 0.711 251 V HN 0.947 nan 8.190 nan 0.000 0.479 252 S N -3.527 112.197 115.700 0.040 0.000 2.617 252 S HA 0.000 4.470 4.470 -0.000 0.000 0.303 252 S C -0.091 174.485 174.600 -0.040 0.000 1.059 252 S CA 0.173 58.351 58.200 -0.037 0.000 1.341 252 S CB -0.188 63.025 63.200 0.023 0.000 1.382 252 S HN 0.517 nan 8.310 nan 0.000 0.409 253 H N 0.013 119.027 119.070 -0.093 0.000 3.680 253 H HA 0.377 4.933 4.556 -0.000 0.000 0.260 253 H C 0.602 175.947 175.328 0.030 0.000 1.183 253 H CA 0.194 56.189 56.048 -0.089 0.000 1.159 253 H CB 0.561 30.246 29.762 -0.128 0.000 1.567 253 H HN 0.618 nan 8.280 nan 0.000 0.648 254 E N 0.293 120.579 120.200 0.144 0.000 2.526 254 E HA 0.036 4.386 4.350 -0.000 0.000 0.208 254 E C -0.420 176.234 176.600 0.090 0.000 0.997 254 E CA 0.168 56.627 56.400 0.098 0.000 0.961 254 E CB 1.225 30.967 29.700 0.071 0.000 1.030 254 E HN 0.140 nan 8.360 nan 0.000 0.483 255 D N 0.191 120.660 120.400 0.114 0.000 2.752 255 D HA 0.107 4.747 4.640 -0.000 0.000 0.242 255 D C -2.369 174.022 176.300 0.151 0.000 1.295 255 D CA -1.432 52.628 54.000 0.100 0.000 0.846 255 D CB 1.324 42.163 40.800 0.065 0.000 1.454 255 D HN -0.163 nan 8.370 nan 0.000 0.535 256 P HA -0.099 nan 4.420 nan 0.000 0.212 256 P C 0.413 177.771 177.300 0.097 0.000 1.180 256 P CA 0.778 64.028 63.100 0.249 0.000 0.902 256 P CB -0.075 31.750 31.700 0.208 0.000 0.778 257 Q N 0.712 120.539 119.800 0.046 0.000 2.443 257 Q HA -0.088 4.252 4.340 -0.000 0.000 0.220 257 Q C -0.841 175.143 176.000 -0.026 0.000 1.142 257 Q CA 0.347 56.154 55.803 0.007 0.000 1.011 257 Q CB -1.453 27.292 28.738 0.013 0.000 1.467 257 Q HN 0.034 nan 8.270 nan 0.000 0.450 258 V N 3.249 123.135 119.914 -0.047 0.000 2.348 258 V HA 0.223 4.343 4.120 -0.000 0.000 0.270 258 V C 0.276 176.232 176.094 -0.230 0.000 1.037 258 V CA -0.373 61.826 62.300 -0.169 0.000 0.872 258 V CB 1.186 32.912 31.823 -0.161 0.000 1.002 258 V HN 0.519 nan 8.190 nan 0.000 0.464 259 K N 4.370 124.596 120.400 -0.291 0.000 2.123 259 K HA 0.633 4.953 4.320 -0.000 0.000 0.259 259 K C -1.495 174.816 176.600 -0.481 0.000 0.960 259 K CA -0.427 55.739 56.287 -0.202 0.000 0.872 259 K CB 1.249 33.697 32.500 -0.087 0.000 1.079 259 K HN 0.407 nan 8.250 nan 0.000 0.440 260 F N 1.013 120.960 119.950 -0.005 0.000 2.579 260 F HA 0.440 4.967 4.527 -0.000 0.000 0.324 260 F C 0.236 175.977 175.800 -0.099 0.000 1.058 260 F CA -0.742 57.235 58.000 -0.039 0.000 0.944 260 F CB 2.017 41.066 39.000 0.081 0.000 1.245 260 F HN 0.450 nan 8.300 nan 0.000 0.477 261 N N 0.850 119.520 118.700 -0.049 0.000 2.260 261 N HA 0.263 5.003 4.740 -0.000 0.000 0.293 261 N C -2.087 173.126 175.510 -0.495 0.000 1.058 261 N CA -0.569 52.323 53.050 -0.264 0.000 0.824 261 N CB 2.387 40.688 38.487 -0.310 0.000 1.551 261 N HN 0.564 nan 8.380 nan 0.000 0.475 262 W N 2.191 123.165 121.300 -0.544 0.000 2.543 262 W HA 0.355 5.015 4.660 -0.000 0.000 0.318 262 W C -1.085 175.161 176.519 -0.455 0.000 1.002 262 W CA -0.532 56.585 57.345 -0.379 0.000 1.302 262 W CB 0.790 30.148 29.460 -0.170 0.000 1.299 262 W HN 0.459 nan 8.180 nan 0.000 0.424 263 Y N 3.364 123.790 120.300 0.210 0.000 2.593 263 Y HA 0.442 4.992 4.550 -0.000 0.000 0.331 263 Y C 0.196 176.172 175.900 0.125 0.000 0.986 263 Y CA -1.222 56.957 58.100 0.131 0.000 1.262 263 Y CB 0.386 38.869 38.460 0.038 0.000 1.098 263 Y HN -0.079 nan 8.280 nan 0.000 0.506 264 V N 3.956 123.982 119.914 0.187 0.000 2.385 264 V HA 0.114 4.234 4.120 -0.000 0.000 0.269 264 V C 0.450 176.542 176.094 -0.003 0.000 1.043 264 V CA -0.153 62.115 62.300 -0.054 0.000 0.906 264 V CB 0.854 32.642 31.823 -0.059 0.000 0.995 264 V HN 0.853 nan 8.190 nan 0.000 0.467 265 D N 4.496 124.838 120.400 -0.096 0.000 4.484 265 D HA -0.264 4.375 4.640 -0.000 0.000 0.247 265 D C 1.545 177.843 176.300 -0.004 0.000 1.020 265 D CA 2.772 56.734 54.000 -0.064 0.000 2.101 265 D CB -1.207 39.557 40.800 -0.059 0.000 1.165 265 D HN 0.849 nan 8.370 nan 0.000 0.427 266 G N -1.815 107.002 108.800 0.030 0.000 2.524 266 G HA2 0.339 4.299 3.960 -0.000 0.000 0.165 266 G HA3 0.339 4.299 3.960 -0.000 0.000 0.165 266 G C -0.020 174.924 174.900 0.074 0.000 1.427 266 G CA 0.467 45.567 45.100 -0.000 0.000 0.794 266 G HN 0.748 nan 8.290 nan 0.000 1.024 267 V N 0.563 120.538 119.914 0.101 0.000 2.498 267 V HA 0.641 4.761 4.120 -0.000 0.000 0.279 267 V C -0.064 176.143 176.094 0.189 0.000 1.048 267 V CA -1.013 61.359 62.300 0.120 0.000 0.967 267 V CB 1.302 33.167 31.823 0.070 0.000 0.988 267 V HN 0.188 nan 8.190 nan 0.000 0.473 268 Q N 3.561 123.495 119.800 0.222 0.000 2.296 268 Q HA 0.280 4.620 4.340 -0.000 0.000 0.262 268 Q C 0.544 176.634 176.000 0.150 0.000 0.981 268 Q CA 0.584 56.508 55.803 0.201 0.000 0.905 268 Q CB 1.546 30.416 28.738 0.220 0.000 1.186 268 Q HN 0.858 nan 8.270 nan 0.000 0.399 269 V N 5.085 125.075 119.914 0.127 0.000 2.427 269 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 269 V C 1.358 177.536 176.094 0.141 0.000 1.051 269 V CA 2.635 64.996 62.300 0.103 0.000 1.048 269 V CB -0.583 31.288 31.823 0.080 0.000 0.666 269 V HN 1.170 nan 8.190 nan 0.000 0.456 270 H N -0.270 118.825 119.070 0.043 0.000 4.919 270 H HA -0.274 4.282 4.556 -0.000 0.000 0.068 270 H C 1.342 176.687 175.328 0.029 0.000 0.578 270 H CA 2.626 58.697 56.048 0.038 0.000 1.013 270 H CB -1.232 28.549 29.762 0.031 0.000 0.454 270 H HN 0.621 nan 8.280 nan 0.000 0.774 271 N N -0.251 118.532 118.700 0.138 0.000 2.528 271 N HA 0.508 5.248 4.740 -0.000 0.000 0.208 271 N C 1.054 176.523 175.510 -0.068 0.000 1.218 271 N CA 1.014 54.100 53.050 0.059 0.000 1.112 271 N CB 0.476 39.024 38.487 0.102 0.000 1.423 271 N HN 0.606 nan 8.380 nan 0.000 0.497 272 A N 0.398 123.188 122.820 -0.051 0.000 5.167 272 A HA -0.274 4.046 4.320 -0.000 0.000 0.301 272 A C 0.342 177.867 177.584 -0.099 0.000 2.015 272 A CA 1.887 53.875 52.037 -0.082 0.000 0.715 272 A CB -1.372 17.546 19.000 -0.137 0.000 1.256 272 A HN 0.390 nan 8.150 nan 0.000 0.360 273 K N 0.045 120.357 120.400 -0.146 0.000 3.239 273 K HA 0.452 4.772 4.320 -0.000 0.000 0.204 273 K C -0.279 176.209 176.600 -0.186 0.000 1.126 273 K CA 0.844 57.054 56.287 -0.128 0.000 0.948 273 K CB 0.136 32.575 32.500 -0.101 0.000 0.818 273 K HN 0.678 nan 8.250 nan 0.000 0.480 274 T N 1.616 116.016 114.554 -0.256 0.000 2.793 274 T HA 0.064 4.414 4.350 -0.000 0.000 0.289 274 T C -0.526 174.056 174.700 -0.198 0.000 0.956 274 T CA 0.643 62.540 62.100 -0.339 0.000 1.177 274 T CB 0.031 68.614 68.868 -0.474 0.000 0.897 274 T HN 0.134 nan 8.240 nan 0.000 0.533 275 K N 6.039 126.322 120.400 -0.194 0.000 2.559 275 K HA 0.366 4.686 4.320 -0.000 0.000 0.249 275 K C -2.569 173.947 176.600 -0.140 0.000 0.958 275 K CA -1.989 54.221 56.287 -0.130 0.000 0.901 275 K CB 1.837 34.276 32.500 -0.103 0.000 1.124 275 K HN 0.310 nan 8.250 nan 0.000 0.437 276 P HA 0.331 nan 4.420 nan 0.000 0.277 276 P C -1.320 175.962 177.300 -0.031 0.000 1.271 276 P CA -0.774 62.277 63.100 -0.081 0.000 0.795 276 P CB 0.767 32.493 31.700 0.045 0.000 1.101 277 R N 0.249 120.743 120.500 -0.009 0.000 2.808 277 R HA 0.121 4.461 4.340 -0.000 0.000 0.254 277 R C -1.388 174.895 176.300 -0.029 0.000 1.145 277 R CA -0.368 55.720 56.100 -0.020 0.000 1.066 277 R CB 1.156 31.441 30.300 -0.025 0.000 1.268 277 R HN 0.504 nan 8.270 nan 0.000 0.447 278 E N 4.255 124.410 120.200 -0.075 0.000 2.014 278 E HA 0.153 4.503 4.350 -0.000 0.000 0.275 278 E C -1.296 175.233 176.600 -0.118 0.000 0.997 278 E CA -0.399 55.892 56.400 -0.182 0.000 0.804 278 E CB 0.875 30.355 29.700 -0.367 0.000 1.090 278 E HN 0.388 nan 8.360 nan 0.000 0.401 279 Q N 2.487 122.315 119.800 0.045 0.000 2.356 279 Q HA 0.253 4.593 4.340 -0.000 0.000 0.270 279 Q C -0.761 175.516 176.000 0.462 0.000 1.058 279 Q CA -0.859 55.064 55.803 0.200 0.000 0.802 279 Q CB 1.323 30.169 28.738 0.181 0.000 1.303 279 Q HN 0.290 nan 8.270 nan 0.000 0.444 280 Q N 2.192 122.285 119.800 0.488 0.000 2.385 280 Q HA -0.013 4.327 4.340 -0.000 0.000 0.273 280 Q C -0.942 175.318 176.000 0.434 0.000 1.281 280 Q CA 0.662 56.749 55.803 0.473 0.000 0.952 280 Q CB -0.311 28.609 28.738 0.303 0.000 1.419 280 Q HN 0.549 nan 8.270 nan 0.000 0.472 281 Y N 1.790 122.178 120.300 0.146 0.000 2.519 281 Y HA -0.027 4.523 4.550 -0.000 0.000 0.324 281 Y C 1.663 177.558 175.900 -0.007 0.000 1.214 281 Y CA -0.954 57.184 58.100 0.063 0.000 1.260 281 Y CB 0.651 39.153 38.460 0.070 0.000 1.311 281 Y HN 0.599 nan 8.280 nan 0.000 0.505 282 N N -0.361 118.345 118.700 0.010 0.000 2.357 282 N HA -0.352 4.388 4.740 -0.000 0.000 0.198 282 N C 0.138 175.610 175.510 -0.063 0.000 0.901 282 N CA 2.639 55.663 53.050 -0.042 0.000 0.951 282 N CB -0.713 37.751 38.487 -0.038 0.000 1.060 282 N HN 0.423 nan 8.380 nan 0.000 0.717 283 S N -5.224 110.386 115.700 -0.150 0.000 2.725 283 S HA 0.095 4.565 4.470 -0.000 0.000 0.196 283 S C 0.016 174.110 174.600 -0.844 0.000 0.803 283 S CA 0.002 57.989 58.200 -0.356 0.000 1.452 283 S CB -0.483 62.586 63.200 -0.217 0.000 1.273 283 S HN 0.675 nan 8.310 nan 0.000 0.575 284 T N 0.136 114.355 114.554 -0.559 0.000 2.512 284 T HA 0.814 5.164 4.350 -0.000 0.000 0.211 284 T C -1.711 172.752 174.700 -0.394 0.000 0.767 284 T CA -0.131 61.630 62.100 -0.564 0.000 1.287 284 T CB 0.672 69.418 68.868 -0.205 0.000 1.656 284 T HN 0.130 nan 8.240 nan 0.000 0.479 285 Y N -0.382 119.985 120.300 0.111 0.000 2.715 285 Y HA 0.751 5.301 4.550 -0.000 0.000 0.331 285 Y C -0.059 175.804 175.900 -0.062 0.000 1.197 285 Y CA -1.199 56.960 58.100 0.098 0.000 1.079 285 Y CB 1.269 39.783 38.460 0.092 0.000 1.298 285 Y HN 0.343 nan 8.280 nan 0.000 0.477 286 R N 1.445 121.904 120.500 -0.068 0.000 2.514 286 R HA 0.673 5.013 4.340 -0.000 0.000 0.296 286 R C -2.082 174.149 176.300 -0.115 0.000 1.012 286 R CA -0.705 55.215 56.100 -0.301 0.000 0.897 286 R CB 1.739 31.430 30.300 -1.015 0.000 1.184 286 R HN 0.585 nan 8.270 nan 0.000 0.440 287 V N 1.204 121.126 119.914 0.013 0.000 2.409 287 V HA 0.514 4.634 4.120 -0.000 0.000 0.291 287 V C -0.108 176.047 176.094 0.102 0.000 1.020 287 V CA -0.917 61.434 62.300 0.085 0.000 0.848 287 V CB 1.822 33.777 31.823 0.220 0.000 0.990 287 V HN 0.320 nan 8.190 nan 0.000 0.430 288 V N 3.881 123.808 119.914 0.022 0.000 2.259 288 V HA 0.387 4.507 4.120 -0.000 0.000 0.267 288 V C 0.602 176.641 176.094 -0.091 0.000 1.051 288 V CA 0.201 62.493 62.300 -0.012 0.000 0.830 288 V CB 0.847 32.646 31.823 -0.041 0.000 1.080 288 V HN 0.989 nan 8.190 nan 0.000 0.467 289 S N 3.909 119.486 115.700 -0.206 0.000 2.480 289 S HA 0.615 5.085 4.470 -0.000 0.000 0.286 289 S C -0.343 174.163 174.600 -0.157 0.000 1.180 289 S CA -0.438 57.504 58.200 -0.430 0.000 1.075 289 S CB 1.265 63.646 63.200 -1.364 0.000 0.996 289 S HN 0.438 nan 8.310 nan 0.000 0.487 290 V N 6.769 126.550 119.914 -0.222 0.000 2.276 290 V HA 0.383 4.503 4.120 -0.000 0.000 0.268 290 V C -0.133 175.739 176.094 -0.371 0.000 1.032 290 V CA -0.694 61.471 62.300 -0.223 0.000 0.810 290 V CB 0.578 32.306 31.823 -0.160 0.000 1.060 290 V HN 0.789 nan 8.190 nan 0.000 0.446 291 L N 4.037 124.927 121.223 -0.555 0.000 2.436 291 L HA 0.538 4.878 4.340 -0.000 0.000 0.265 291 L C 0.675 177.348 176.870 -0.328 0.000 1.168 291 L CA 0.939 55.401 54.840 -0.631 0.000 0.815 291 L CB 1.474 42.937 42.059 -0.994 0.000 1.109 291 L HN 0.643 nan 8.230 nan 0.000 0.462 292 T N 3.564 117.968 114.554 -0.250 0.000 2.767 292 T HA 0.583 4.933 4.350 -0.000 0.000 0.284 292 T C -0.584 174.046 174.700 -0.118 0.000 0.973 292 T CA -0.464 61.539 62.100 -0.163 0.000 0.996 292 T CB 1.235 70.026 68.868 -0.127 0.000 0.927 292 T HN 0.332 nan 8.240 nan 0.000 0.456 293 V N 3.948 123.789 119.914 -0.121 0.000 2.588 293 V HA 0.444 4.564 4.120 -0.000 0.000 0.304 293 V C -0.419 175.596 176.094 -0.132 0.000 1.042 293 V CA -0.965 61.294 62.300 -0.068 0.000 0.877 293 V CB 2.111 33.887 31.823 -0.079 0.000 0.996 293 V HN 0.786 nan 8.190 nan 0.000 0.425 294 L N 4.484 125.695 121.223 -0.021 0.000 2.255 294 L HA 0.445 4.785 4.340 -0.000 0.000 0.289 294 L C 1.452 178.382 176.870 0.101 0.000 1.046 294 L CA -0.009 54.858 54.840 0.045 0.000 0.816 294 L CB 0.527 42.651 42.059 0.109 0.000 1.197 294 L HN 0.825 nan 8.230 nan 0.000 0.427 295 H N 0.962 120.068 119.070 0.061 0.000 2.297 295 H HA -0.369 4.187 4.556 -0.000 0.000 0.277 295 H C 1.716 177.137 175.328 0.155 0.000 1.141 295 H CA 2.653 58.747 56.048 0.076 0.000 1.159 295 H CB -0.439 29.344 29.762 0.035 0.000 1.378 295 H HN 0.695 nan 8.280 nan 0.000 0.482 296 Q N -0.491 119.479 119.800 0.282 0.000 2.112 296 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 296 Q C 2.231 178.352 176.000 0.203 0.000 0.987 296 Q CA 1.508 57.431 55.803 0.201 0.000 0.858 296 Q CB -0.126 28.697 28.738 0.142 0.000 0.905 296 Q HN 0.421 nan 8.270 nan 0.000 0.420 297 N N -0.028 118.803 118.700 0.219 0.000 2.120 297 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 297 N C 1.015 176.703 175.510 0.297 0.000 1.024 297 N CA 1.057 54.237 53.050 0.217 0.000 0.852 297 N CB -0.304 38.318 38.487 0.225 0.000 1.003 297 N HN 0.413 nan 8.380 nan 0.000 0.424 298 W N 1.192 122.618 121.300 0.210 0.000 2.315 298 W HA -0.198 4.462 4.660 -0.000 0.000 0.323 298 W C 1.327 177.932 176.519 0.144 0.000 1.233 298 W CA 1.110 58.577 57.345 0.202 0.000 1.267 298 W CB -0.586 28.927 29.460 0.088 0.000 1.160 298 W HN 0.094 nan 8.180 nan 0.000 0.474 299 L N 0.279 121.664 121.223 0.271 0.000 2.362 299 L HA -0.138 4.202 4.340 -0.000 0.000 0.219 299 L C 0.805 177.718 176.870 0.071 0.000 1.134 299 L CA 1.064 55.999 54.840 0.158 0.000 0.807 299 L CB -0.712 41.467 42.059 0.199 0.000 0.927 299 L HN -0.181 nan 8.230 nan 0.000 0.447 300 D N 0.740 121.183 120.400 0.072 0.000 2.894 300 D HA 0.157 4.797 4.640 -0.000 0.000 0.248 300 D C 0.942 177.247 176.300 0.008 0.000 1.291 300 D CA 0.320 54.344 54.000 0.040 0.000 0.840 300 D CB 0.397 41.230 40.800 0.055 0.000 1.044 300 D HN 0.255 nan 8.370 nan 0.000 0.484 301 G N 1.896 110.678 108.800 -0.030 0.000 2.393 301 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.299 301 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.299 301 G C 0.287 175.151 174.900 -0.059 0.000 0.990 301 G CA 0.390 45.449 45.100 -0.068 0.000 1.118 301 G HN 0.121 nan 8.290 nan 0.000 0.513 302 K N 0.220 120.596 120.400 -0.041 0.000 2.143 302 K HA 0.527 4.847 4.320 -0.000 0.000 0.272 302 K C 0.414 177.005 176.600 -0.015 0.000 1.001 302 K CA -0.502 55.757 56.287 -0.046 0.000 0.915 302 K CB 0.861 33.332 32.500 -0.047 0.000 1.047 302 K HN 0.214 nan 8.250 nan 0.000 0.458 303 E N 2.062 122.210 120.200 -0.086 0.000 2.216 303 E HA 0.252 4.602 4.350 -0.000 0.000 0.279 303 E C -0.938 175.605 176.600 -0.095 0.000 0.997 303 E CA -0.351 56.041 56.400 -0.015 0.000 0.817 303 E CB 0.892 30.574 29.700 -0.030 0.000 1.096 303 E HN 0.370 nan 8.360 nan 0.000 0.393 304 Y N 0.940 121.301 120.300 0.102 0.000 2.576 304 Y HA 0.466 5.016 4.550 -0.000 0.000 0.346 304 Y C 0.314 176.288 175.900 0.123 0.000 1.018 304 Y CA -0.739 57.471 58.100 0.184 0.000 1.050 304 Y CB 2.152 40.779 38.460 0.278 0.000 1.280 304 Y HN 0.268 nan 8.280 nan 0.000 0.474 305 K N 0.655 121.212 120.400 0.262 0.000 2.568 305 K HA 0.670 4.990 4.320 -0.000 0.000 0.273 305 K C -2.128 174.268 176.600 -0.339 0.000 0.951 305 K CA -0.600 55.719 56.287 0.054 0.000 0.854 305 K CB 2.163 34.774 32.500 0.186 0.000 1.424 305 K HN 0.763 nan 8.250 nan 0.000 0.427 306 c N 3.819 122.149 118.600 -0.450 0.000 2.547 306 c HA 0.417 4.987 4.570 -0.000 0.000 0.327 306 c C -0.943 172.976 174.090 -0.285 0.000 1.076 306 c CA -0.657 55.231 56.329 -0.734 0.000 1.390 306 c CB -0.097 41.936 42.510 -0.795 0.000 1.918 306 c HN 0.835 nan 8.230 nan 0.000 0.438 307 K N 5.661 125.937 120.400 -0.206 0.000 2.244 307 K HA 0.481 4.801 4.320 -0.000 0.000 0.263 307 K C -0.565 175.959 176.600 -0.126 0.000 1.103 307 K CA -0.275 55.967 56.287 -0.075 0.000 0.966 307 K CB 0.537 33.089 32.500 0.086 0.000 1.429 307 K HN 0.631 nan 8.250 nan 0.000 0.434 308 V N 3.234 123.056 119.914 -0.153 0.000 2.470 308 V HA 0.104 4.224 4.120 -0.000 0.000 0.276 308 V C -0.237 175.725 176.094 -0.219 0.000 1.040 308 V CA -0.174 61.956 62.300 -0.284 0.000 1.008 308 V CB 1.201 32.887 31.823 -0.228 0.000 0.990 308 V HN 0.687 nan 8.190 nan 0.000 0.477 309 S N 5.558 121.098 115.700 -0.266 0.000 2.733 309 S HA 0.413 4.883 4.470 -0.000 0.000 0.307 309 S C -0.338 174.158 174.600 -0.174 0.000 1.127 309 S CA -0.752 57.348 58.200 -0.167 0.000 1.097 309 S CB 0.749 63.881 63.200 -0.113 0.000 1.003 309 S HN 0.855 nan 8.310 nan 0.000 0.477 310 N N 1.407 120.033 118.700 -0.123 0.000 2.362 310 N HA 0.311 5.051 4.740 -0.000 0.000 0.299 310 N C 0.507 175.991 175.510 -0.043 0.000 1.170 310 N CA -0.724 52.276 53.050 -0.084 0.000 0.825 310 N CB 0.942 39.390 38.487 -0.065 0.000 1.299 310 N HN 0.180 nan 8.380 nan 0.000 0.502 311 K N 1.030 121.417 120.400 -0.020 0.000 2.211 311 K HA -0.026 4.294 4.320 -0.000 0.000 0.203 311 K C 1.404 178.004 176.600 -0.001 0.000 1.050 311 K CA 0.675 56.957 56.287 -0.007 0.000 0.945 311 K CB -0.340 32.163 32.500 0.005 0.000 0.732 311 K HN 0.608 nan 8.250 nan 0.000 0.451 312 A N 0.692 123.514 122.820 0.003 0.000 2.248 312 A HA -0.037 4.283 4.320 -0.000 0.000 0.210 312 A C 0.570 178.153 177.584 -0.001 0.000 1.174 312 A CA 0.467 52.509 52.037 0.008 0.000 0.750 312 A CB -0.073 18.938 19.000 0.017 0.000 0.780 312 A HN 0.087 nan 8.150 nan 0.000 0.478 313 L N 0.569 121.785 121.223 -0.012 0.000 2.345 313 L HA 0.406 4.746 4.340 -0.000 0.000 0.274 313 L C -1.555 175.304 176.870 -0.018 0.000 0.999 313 L CA -2.111 52.718 54.840 -0.018 0.000 0.849 313 L CB 1.710 43.750 42.059 -0.031 0.000 1.220 313 L HN -0.044 nan 8.230 nan 0.000 0.422 314 P HA -0.075 nan 4.420 nan 0.000 0.216 314 P C -0.076 177.215 177.300 -0.015 0.000 1.150 314 P CA 0.804 63.898 63.100 -0.011 0.000 0.837 314 P CB 0.501 32.197 31.700 -0.008 0.000 0.786 315 A N 0.738 123.547 122.820 -0.019 0.000 2.340 315 A HA 0.540 4.860 4.320 -0.000 0.000 0.297 315 A C -2.574 174.992 177.584 -0.031 0.000 1.195 315 A CA -1.770 50.254 52.037 -0.022 0.000 0.769 315 A CB 0.548 19.536 19.000 -0.019 0.000 1.163 315 A HN -0.055 nan 8.150 nan 0.000 0.472 316 P HA 0.006 nan 4.420 nan 0.000 0.256 316 P C -0.382 176.887 177.300 -0.051 0.000 1.173 316 P CA 0.689 63.760 63.100 -0.049 0.000 0.768 316 P CB 0.103 31.776 31.700 -0.044 0.000 0.758 317 I N 3.642 124.174 120.570 -0.063 0.000 2.406 317 I HA 0.038 4.208 4.170 -0.000 0.000 0.293 317 I C 1.300 177.374 176.117 -0.072 0.000 1.101 317 I CA 0.108 61.370 61.300 -0.064 0.000 1.334 317 I CB -0.098 37.866 38.000 -0.061 0.000 1.421 317 I HN 0.227 nan 8.210 nan 0.000 0.513 318 E N 7.070 127.232 120.200 -0.063 0.000 2.349 318 E HA 0.414 4.764 4.350 -0.000 0.000 0.265 318 E C -0.463 176.086 176.600 -0.086 0.000 1.064 318 E CA -0.474 55.890 56.400 -0.060 0.000 0.886 318 E CB 1.328 31.004 29.700 -0.041 0.000 1.036 318 E HN 0.406 nan 8.360 nan 0.000 0.413 319 K N 1.066 121.409 120.400 -0.095 0.000 2.589 319 K HA 0.137 4.457 4.320 -0.000 0.000 0.253 319 K C -1.463 175.089 176.600 -0.081 0.000 0.974 319 K CA -0.378 55.842 56.287 -0.113 0.000 0.835 319 K CB 1.738 34.137 32.500 -0.168 0.000 1.272 319 K HN 0.539 nan 8.250 nan 0.000 0.444 320 T N 0.814 115.337 114.554 -0.052 0.000 2.761 320 T HA 0.303 4.653 4.350 -0.000 0.000 0.296 320 T C 0.459 175.178 174.700 0.033 0.000 0.934 320 T CA -0.743 61.361 62.100 0.006 0.000 1.091 320 T CB 0.581 69.454 68.868 0.008 0.000 0.896 320 T HN 0.300 nan 8.240 nan 0.000 0.515 321 I N 3.701 124.341 120.570 0.117 0.000 2.294 321 I HA 0.214 4.384 4.170 -0.000 0.000 0.295 321 I C -0.018 176.196 176.117 0.162 0.000 1.098 321 I CA 0.109 61.503 61.300 0.157 0.000 1.277 321 I CB -0.110 38.029 38.000 0.231 0.000 1.434 321 I HN 0.734 nan 8.210 nan 0.000 0.498 322 S N 7.504 123.255 115.700 0.085 0.000 2.519 322 S HA 0.433 4.903 4.470 -0.000 0.000 0.309 322 S C 0.125 174.746 174.600 0.036 0.000 1.100 322 S CA -0.877 57.347 58.200 0.041 0.000 1.059 322 S CB 1.755 64.969 63.200 0.023 0.000 1.008 322 S HN 0.547 nan 8.310 nan 0.000 0.478 323 K N 1.901 122.292 120.400 -0.015 0.000 2.525 323 K HA 0.807 5.127 4.320 -0.000 0.000 0.262 323 K C 0.205 176.829 176.600 0.039 0.000 1.049 323 K CA -0.816 55.471 56.287 0.000 0.000 0.961 323 K CB 0.310 32.752 32.500 -0.097 0.000 1.258 323 K HN 0.486 nan 8.250 nan 0.000 0.501 324 A N -0.258 122.613 122.820 0.086 0.000 2.414 324 A HA 0.405 4.725 4.320 -0.000 0.000 0.278 324 A C -0.159 177.523 177.584 0.164 0.000 1.228 324 A CA -0.811 51.317 52.037 0.152 0.000 0.857 324 A CB 1.130 20.275 19.000 0.242 0.000 1.389 324 A HN 0.577 nan 8.150 nan 0.000 0.452 325 K N -0.691 119.818 120.400 0.183 0.000 3.044 325 K HA 0.523 4.843 4.320 -0.000 0.000 0.336 325 K C 0.415 177.011 176.600 -0.006 0.000 1.014 325 K CA 0.837 57.161 56.287 0.062 0.000 1.380 325 K CB -0.091 32.411 32.500 0.004 0.000 1.480 325 K HN 1.184 nan 8.250 nan 0.000 0.595 326 G N 0.244 108.876 108.800 -0.281 0.000 2.655 326 G HA2 0.316 4.276 3.960 -0.000 0.000 0.296 326 G HA3 0.316 4.276 3.960 -0.000 0.000 0.296 326 G C -1.486 173.127 174.900 -0.478 0.000 1.485 326 G CA -0.498 44.363 45.100 -0.399 0.000 0.869 326 G HN 0.223 nan 8.290 nan 0.000 0.540 327 Q N 0.415 119.918 119.800 -0.495 0.000 2.495 327 Q HA 0.450 4.790 4.340 -0.000 0.000 0.283 327 Q C -1.636 174.383 176.000 0.031 0.000 1.097 327 Q CA -1.696 54.006 55.803 -0.168 0.000 0.836 327 Q CB 2.949 31.617 28.738 -0.115 0.000 1.426 327 Q HN 0.268 nan 8.270 nan 0.000 0.459 328 P HA -0.156 nan 4.420 nan 0.000 0.211 328 P C -0.570 176.831 177.300 0.170 0.000 1.179 328 P CA 1.135 64.299 63.100 0.106 0.000 0.910 328 P CB -0.152 31.599 31.700 0.085 0.000 0.785 329 R N 2.113 122.736 120.500 0.206 0.000 2.669 329 R HA -0.132 4.208 4.340 -0.000 0.000 0.283 329 R C -0.039 176.440 176.300 0.298 0.000 0.851 329 R CA 0.639 56.885 56.100 0.243 0.000 1.126 329 R CB -1.116 29.347 30.300 0.272 0.000 0.883 329 R HN 0.426 nan 8.270 nan 0.000 0.418 330 E N 4.398 124.709 120.200 0.185 0.000 2.130 330 E HA 0.301 4.651 4.350 -0.000 0.000 0.284 330 E C -2.208 174.455 176.600 0.104 0.000 1.018 330 E CA -2.529 53.938 56.400 0.112 0.000 0.817 330 E CB 0.887 30.619 29.700 0.052 0.000 1.078 330 E HN 0.391 nan 8.360 nan 0.000 0.396 331 P HA -0.084 nan 4.420 nan 0.000 0.268 331 P C -0.543 176.681 177.300 -0.126 0.000 1.204 331 P CA 0.048 63.121 63.100 -0.045 0.000 0.768 331 P CB 0.612 32.116 31.700 -0.327 0.000 0.842 332 Q N 1.886 121.613 119.800 -0.122 0.000 2.678 332 Q HA 0.172 4.512 4.340 -0.000 0.000 0.222 332 Q C -0.290 175.264 176.000 -0.744 0.000 1.281 332 Q CA -0.329 55.252 55.803 -0.371 0.000 0.994 332 Q CB 0.232 28.949 28.738 -0.035 0.000 1.452 332 Q HN 0.245 nan 8.270 nan 0.000 0.570 333 V N 4.332 123.778 119.914 -0.781 0.000 2.287 333 V HA 0.040 4.160 4.120 -0.000 0.000 0.246 333 V C -0.950 174.737 176.094 -0.677 0.000 1.165 333 V CA 0.031 61.992 62.300 -0.565 0.000 1.088 333 V CB -0.808 30.805 31.823 -0.350 0.000 1.242 333 V HN 0.399 nan 8.190 nan 0.000 0.497 334 Y N 1.971 122.283 120.300 0.019 0.000 2.402 334 Y HA 0.419 4.969 4.550 -0.000 0.000 0.325 334 Y C 0.826 176.762 175.900 0.061 0.000 1.009 334 Y CA -1.496 56.624 58.100 0.034 0.000 1.278 334 Y CB 0.865 39.354 38.460 0.048 0.000 1.105 334 Y HN 0.543 nan 8.280 nan 0.000 0.476 335 T N 1.840 116.463 114.554 0.116 0.000 2.926 335 T HA 0.662 5.012 4.350 -0.000 0.000 0.307 335 T C -0.303 174.493 174.700 0.159 0.000 1.059 335 T CA -0.422 61.740 62.100 0.104 0.000 1.122 335 T CB 0.667 69.568 68.868 0.056 0.000 0.972 335 T HN 0.510 nan 8.240 nan 0.000 0.545 336 L N 2.913 124.220 121.223 0.140 0.000 2.408 336 L HA 0.554 4.894 4.340 -0.000 0.000 0.268 336 L C -2.311 174.611 176.870 0.087 0.000 0.986 336 L CA -2.679 52.230 54.840 0.115 0.000 0.820 336 L CB 2.380 44.490 42.059 0.086 0.000 1.303 336 L HN 0.476 nan 8.230 nan 0.000 0.411 337 P HA 0.283 nan 4.420 nan 0.000 0.277 337 P C -2.596 174.694 177.300 -0.017 0.000 1.276 337 P CA -1.036 62.127 63.100 0.105 0.000 0.788 337 P CB -0.317 31.571 31.700 0.312 0.000 1.114 338 P HA 0.086 nan 4.420 nan 0.000 0.277 338 P C -0.250 177.034 177.300 -0.026 0.000 1.271 338 P CA -0.198 62.830 63.100 -0.120 0.000 0.795 338 P CB 0.352 31.908 31.700 -0.240 0.000 1.101 339 S N -0.479 115.195 115.700 -0.043 0.000 2.465 339 S HA 0.106 4.576 4.470 -0.000 0.000 0.279 339 S C 1.614 176.208 174.600 -0.010 0.000 1.201 339 S CA -0.705 57.488 58.200 -0.012 0.000 1.053 339 S CB -0.023 63.166 63.200 -0.018 0.000 0.953 339 S HN 0.433 nan 8.310 nan 0.000 0.488 340 R N 3.566 124.080 120.500 0.023 0.000 2.244 340 R HA -0.189 4.151 4.340 -0.000 0.000 0.252 340 R C 0.712 177.027 176.300 0.025 0.000 1.177 340 R CA 2.096 58.221 56.100 0.042 0.000 1.004 340 R CB -0.635 29.694 30.300 0.048 0.000 0.873 340 R HN 0.681 nan 8.270 nan 0.000 0.469 341 E N 0.667 120.871 120.200 0.005 0.000 2.485 341 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 341 E C 0.701 177.289 176.600 -0.020 0.000 1.098 341 E CA 0.251 56.649 56.400 -0.003 0.000 0.878 341 E CB 0.193 29.890 29.700 -0.006 0.000 0.939 341 E HN 0.524 nan 8.360 nan 0.000 0.503 342 E N -0.180 119.999 120.200 -0.034 0.000 2.562 342 E HA 0.158 4.508 4.350 -0.000 0.000 0.214 342 E C 1.000 177.570 176.600 -0.052 0.000 0.979 342 E CA -0.104 56.254 56.400 -0.070 0.000 1.002 342 E CB 0.444 30.063 29.700 -0.136 0.000 1.048 342 E HN 0.191 nan 8.360 nan 0.000 0.488 343 M N -0.103 119.501 119.600 0.006 0.000 2.453 343 M HA 0.086 4.566 4.480 -0.000 0.000 0.239 343 M C 0.573 176.896 176.300 0.038 0.000 1.151 343 M CA 0.571 55.904 55.300 0.055 0.000 0.989 343 M CB 0.790 33.457 32.600 0.112 0.000 1.548 343 M HN -0.145 nan 8.290 nan 0.000 0.479 344 T N -0.540 114.023 114.554 0.014 0.000 3.215 344 T HA 0.212 4.562 4.350 -0.000 0.000 0.271 344 T C -0.263 174.435 174.700 -0.004 0.000 1.012 344 T CA 0.066 62.171 62.100 0.008 0.000 0.899 344 T CB 0.129 69.000 68.868 0.005 0.000 1.089 344 T HN -0.032 nan 8.240 nan 0.000 0.552 345 K N 2.232 122.626 120.400 -0.010 0.000 2.498 345 K HA 0.373 4.693 4.320 -0.000 0.000 0.254 345 K C 0.746 177.335 176.600 -0.019 0.000 0.933 345 K CA -0.863 55.410 56.287 -0.024 0.000 0.806 345 K CB 1.033 33.504 32.500 -0.049 0.000 1.301 345 K HN -0.112 nan 8.250 nan 0.000 0.432 346 N N 2.430 121.120 118.700 -0.016 0.000 2.309 346 N HA -0.120 4.620 4.740 -0.000 0.000 0.182 346 N C -0.641 174.857 175.510 -0.021 0.000 1.018 346 N CA 1.064 54.111 53.050 -0.007 0.000 0.876 346 N CB 0.332 38.816 38.487 -0.005 0.000 0.972 346 N HN 0.581 nan 8.380 nan 0.000 0.434 347 Q N 1.151 120.920 119.800 -0.051 0.000 2.309 347 Q HA 0.382 4.722 4.340 -0.000 0.000 0.270 347 Q C -0.759 175.151 176.000 -0.150 0.000 1.023 347 Q CA -0.788 54.963 55.803 -0.086 0.000 0.758 347 Q CB 2.743 31.436 28.738 -0.076 0.000 1.247 347 Q HN 0.166 nan 8.270 nan 0.000 0.455 348 V N -0.569 119.207 119.914 -0.229 0.000 3.109 348 V HA 0.843 4.963 4.120 -0.000 0.000 0.317 348 V C -0.151 175.703 176.094 -0.401 0.000 1.074 348 V CA -0.580 61.496 62.300 -0.374 0.000 1.033 348 V CB 1.830 33.237 31.823 -0.693 0.000 1.111 348 V HN 0.616 nan 8.190 nan 0.000 0.458 349 S N 0.834 116.268 115.700 -0.443 0.000 2.564 349 S HA 0.806 5.276 4.470 -0.000 0.000 0.274 349 S C -1.291 173.028 174.600 -0.469 0.000 1.124 349 S CA -0.780 57.160 58.200 -0.433 0.000 0.869 349 S CB 1.407 64.428 63.200 -0.297 0.000 1.105 349 S HN 0.811 nan 8.310 nan 0.000 0.472 350 L N 2.889 123.817 121.223 -0.492 0.000 2.386 350 L HA 0.579 4.919 4.340 -0.000 0.000 0.271 350 L C -0.189 176.560 176.870 -0.200 0.000 0.993 350 L CA -0.840 53.759 54.840 -0.403 0.000 0.819 350 L CB 2.383 44.073 42.059 -0.615 0.000 1.294 350 L HN 0.625 nan 8.230 nan 0.000 0.414 351 T N -0.613 113.910 114.554 -0.051 0.000 2.936 351 T HA 0.479 4.829 4.350 -0.000 0.000 0.282 351 T C -0.527 174.280 174.700 0.179 0.000 1.003 351 T CA -0.608 61.450 62.100 -0.071 0.000 1.005 351 T CB 2.007 70.676 68.868 -0.332 0.000 1.097 351 T HN 0.741 nan 8.240 nan 0.000 0.532 352 c N 3.051 121.691 118.600 0.067 0.000 3.146 352 c HA 0.518 5.088 4.570 -0.000 0.000 0.382 352 c C -0.775 173.465 174.090 0.251 0.000 1.060 352 c CA -1.139 55.236 56.329 0.077 0.000 1.304 352 c CB -1.482 40.919 42.510 -0.181 0.000 1.699 352 c HN 1.051 nan 8.230 nan 0.000 0.532 353 L N 5.776 127.204 121.223 0.342 0.000 2.331 353 L HA 0.894 5.234 4.340 -0.000 0.000 0.278 353 L C -0.398 176.507 176.870 0.058 0.000 1.106 353 L CA 0.341 55.384 54.840 0.338 0.000 0.824 353 L CB 1.453 43.719 42.059 0.345 0.000 1.142 353 L HN 0.561 nan 8.230 nan 0.000 0.443 354 V N 2.595 122.562 119.914 0.089 0.000 2.443 354 V HA 0.512 4.632 4.120 -0.000 0.000 0.272 354 V C -0.146 176.112 176.094 0.275 0.000 1.002 354 V CA -0.568 61.740 62.300 0.013 0.000 0.840 354 V CB 0.157 31.891 31.823 -0.147 0.000 1.042 354 V HN 1.011 nan 8.190 nan 0.000 0.446 355 K N 1.846 122.365 120.400 0.197 0.000 2.502 355 K HA 0.930 5.250 4.320 -0.000 0.000 0.256 355 K C 0.738 177.559 176.600 0.369 0.000 1.053 355 K CA -0.222 56.241 56.287 0.293 0.000 1.002 355 K CB 0.492 33.011 32.500 0.031 0.000 1.384 355 K HN 1.410 nan 8.250 nan 0.000 0.537 356 G N 0.755 109.716 108.800 0.268 0.000 2.290 356 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.270 356 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.270 356 G C -0.703 174.436 174.900 0.399 0.000 0.891 356 G CA 0.778 46.029 45.100 0.252 0.000 1.321 356 G HN 0.764 nan 8.290 nan 0.000 0.425 357 F N -0.633 119.432 119.950 0.192 0.000 2.608 357 F HA 0.818 5.345 4.527 -0.000 0.000 0.309 357 F C -0.859 175.105 175.800 0.275 0.000 1.103 357 F CA -2.730 55.387 58.000 0.194 0.000 0.954 357 F CB 0.995 40.017 39.000 0.036 0.000 1.267 357 F HN 0.127 nan 8.300 nan 0.000 0.444 358 Y N 1.844 122.368 120.300 0.374 0.000 2.633 358 Y HA 0.705 5.255 4.550 -0.000 0.000 0.339 358 Y C -2.329 173.744 175.900 0.288 0.000 1.045 358 Y CA -2.257 56.000 58.100 0.260 0.000 1.098 358 Y CB 2.248 40.832 38.460 0.206 0.000 1.296 358 Y HN 0.522 nan 8.280 nan 0.000 0.494 359 P HA -0.221 nan 4.420 nan 0.000 0.280 359 P C -0.686 176.483 177.300 -0.218 0.000 1.279 359 P CA 1.163 64.219 63.100 -0.074 0.000 0.866 359 P CB 0.260 32.028 31.700 0.115 0.000 0.770 360 S N -0.697 114.678 115.700 -0.542 0.000 3.149 360 S HA 0.160 4.630 4.470 -0.000 0.000 0.228 360 S C -0.079 174.464 174.600 -0.096 0.000 1.393 360 S CA -0.297 57.576 58.200 -0.546 0.000 1.224 360 S CB -0.741 61.914 63.200 -0.908 0.000 1.112 360 S HN 0.208 nan 8.310 nan 0.000 0.502 361 D N 1.814 122.293 120.400 0.131 0.000 3.123 361 D HA 0.326 4.966 4.640 -0.000 0.000 0.305 361 D C -0.395 176.096 176.300 0.318 0.000 1.373 361 D CA -0.391 53.731 54.000 0.203 0.000 0.889 361 D CB 0.377 41.300 40.800 0.205 0.000 1.070 361 D HN 0.498 nan 8.370 nan 0.000 0.494 362 I N 0.886 121.568 120.570 0.187 0.000 2.519 362 I HA 0.427 4.597 4.170 -0.000 0.000 0.287 362 I C -0.179 175.979 176.117 0.069 0.000 1.047 362 I CA -0.369 60.977 61.300 0.077 0.000 1.381 362 I CB 1.078 39.074 38.000 -0.007 0.000 1.417 362 I HN 0.124 nan 8.210 nan 0.000 0.540 363 A N 7.102 129.937 122.820 0.025 0.000 3.422 363 A HA 0.517 4.837 4.320 -0.000 0.000 0.271 363 A C -0.686 176.878 177.584 -0.033 0.000 1.104 363 A CA -0.436 51.613 52.037 0.021 0.000 0.899 363 A CB -0.376 18.652 19.000 0.047 0.000 1.309 363 A HN 0.447 nan 8.150 nan 0.000 0.580 364 V N 0.839 120.711 119.914 -0.069 0.000 3.264 364 V HA 0.459 4.579 4.120 -0.000 0.000 0.304 364 V C 0.602 176.616 176.094 -0.133 0.000 1.086 364 V CA 0.138 62.346 62.300 -0.154 0.000 1.090 364 V CB 1.309 33.034 31.823 -0.164 0.000 1.112 364 V HN 0.817 nan 8.190 nan 0.000 0.472 365 E N -0.473 119.553 120.200 -0.289 0.000 2.415 365 E HA 0.401 4.751 4.350 -0.000 0.000 0.271 365 E C -1.823 174.440 176.600 -0.561 0.000 1.094 365 E CA -0.536 55.653 56.400 -0.352 0.000 0.881 365 E CB 2.318 31.957 29.700 -0.102 0.000 1.581 365 E HN 0.599 nan 8.360 nan 0.000 0.460 366 W N 0.069 121.081 121.300 -0.479 0.000 3.003 366 W HA 0.435 5.095 4.660 0.000 0.000 0.362 366 W C -0.565 175.936 176.519 -0.030 0.000 1.213 366 W CA -0.151 57.038 57.345 -0.260 0.000 1.157 366 W CB 1.873 31.129 29.460 -0.340 0.000 1.493 366 W HN 0.375 nan 8.180 nan 0.000 0.589 367 E N -0.862 119.609 120.200 0.452 0.000 2.439 367 E HA 0.225 4.575 4.350 -0.000 0.000 0.279 367 E C -0.066 176.754 176.600 0.366 0.000 1.077 367 E CA -0.080 56.514 56.400 0.324 0.000 0.849 367 E CB 1.998 31.827 29.700 0.215 0.000 1.408 367 E HN 0.305 nan 8.360 nan 0.000 0.457 368 S N 0.057 115.884 115.700 0.212 0.000 2.545 368 S HA 0.197 4.667 4.470 -0.000 0.000 0.232 368 S C 0.771 175.348 174.600 -0.037 0.000 1.070 368 S CA 0.702 58.944 58.200 0.071 0.000 0.923 368 S CB 0.375 63.605 63.200 0.051 0.000 0.806 368 S HN 0.504 nan 8.310 nan 0.000 0.506 369 N N 0.237 118.954 118.700 0.028 0.000 2.510 369 N HA 0.201 4.941 4.740 -0.000 0.000 0.295 369 N C 1.265 176.801 175.510 0.044 0.000 1.477 369 N CA 0.533 53.592 53.050 0.014 0.000 1.649 369 N CB -0.519 37.956 38.487 -0.020 0.000 1.207 369 N HN 0.142 nan 8.380 nan 0.000 1.376 370 G N -0.578 108.242 108.800 0.033 0.000 2.426 370 G HA2 0.063 4.023 3.960 -0.000 0.000 0.214 370 G HA3 0.063 4.023 3.960 -0.000 0.000 0.214 370 G C -0.224 174.707 174.900 0.052 0.000 1.156 370 G CA 0.661 45.783 45.100 0.038 0.000 0.802 370 G HN 0.523 nan 8.290 nan 0.000 0.534 371 Q N 1.377 121.209 119.800 0.053 0.000 2.259 371 Q HA 0.410 4.750 4.340 -0.000 0.000 0.246 371 Q C -2.275 173.786 176.000 0.101 0.000 0.920 371 Q CA -2.194 53.649 55.803 0.066 0.000 0.895 371 Q CB 0.910 29.680 28.738 0.053 0.000 1.220 371 Q HN 0.102 nan 8.270 nan 0.000 0.439 372 P HA -0.067 nan 4.420 nan 0.000 0.273 372 P C -0.613 176.803 177.300 0.194 0.000 1.258 372 P CA 0.068 63.276 63.100 0.180 0.000 0.802 372 P CB 0.666 32.477 31.700 0.184 0.000 1.040 373 E N -0.078 120.289 120.200 0.278 0.000 2.317 373 E HA 0.184 4.534 4.350 -0.000 0.000 0.270 373 E C 0.387 177.139 176.600 0.253 0.000 0.885 373 E CA -0.675 55.879 56.400 0.257 0.000 0.760 373 E CB 1.816 31.691 29.700 0.291 0.000 1.227 373 E HN 0.392 nan 8.360 nan 0.000 0.434 374 N N 1.127 119.894 118.700 0.112 0.000 2.409 374 N HA 0.019 4.759 4.740 -0.000 0.000 0.174 374 N C -0.320 175.129 175.510 -0.103 0.000 1.037 374 N CA 0.240 53.279 53.050 -0.017 0.000 0.898 374 N CB 0.372 38.846 38.487 -0.021 0.000 1.010 374 N HN 0.378 nan 8.380 nan 0.000 0.445 375 N N 0.333 119.024 118.700 -0.016 0.000 2.699 375 N HA 0.127 4.867 4.740 -0.000 0.000 0.232 375 N C -1.752 173.770 175.510 0.020 0.000 1.027 375 N CA -0.346 52.673 53.050 -0.051 0.000 0.920 375 N CB 0.412 38.863 38.487 -0.060 0.000 1.148 375 N HN 0.183 nan 8.380 nan 0.000 0.509 376 Y N 0.025 120.296 120.300 -0.049 0.000 2.513 376 Y HA 0.608 5.158 4.550 -0.000 0.000 0.340 376 Y C -1.273 174.648 175.900 0.034 0.000 1.055 376 Y CA -1.250 56.837 58.100 -0.023 0.000 1.020 376 Y CB 1.176 39.688 38.460 0.087 0.000 1.301 376 Y HN -0.128 nan 8.280 nan 0.000 0.453 377 K N 2.005 122.559 120.400 0.257 0.000 2.471 377 K HA 0.579 4.899 4.320 -0.000 0.000 0.252 377 K C -1.590 175.148 176.600 0.229 0.000 0.938 377 K CA -0.534 55.872 56.287 0.198 0.000 0.796 377 K CB 2.211 34.773 32.500 0.105 0.000 1.161 377 K HN 0.935 nan 8.250 nan 0.000 0.425 378 T N 2.542 117.234 114.554 0.231 0.000 2.815 378 T HA 0.258 4.608 4.350 -0.000 0.000 0.289 378 T C -0.572 174.226 174.700 0.164 0.000 1.000 378 T CA -0.606 61.622 62.100 0.213 0.000 0.958 378 T CB 0.864 69.871 68.868 0.231 0.000 0.944 378 T HN 0.522 nan 8.240 nan 0.000 0.442 379 T N 3.930 118.584 114.554 0.167 0.000 2.817 379 T HA 0.280 4.630 4.350 -0.000 0.000 0.295 379 T C -2.447 172.312 174.700 0.099 0.000 0.958 379 T CA -1.301 60.874 62.100 0.125 0.000 1.157 379 T CB 0.058 69.004 68.868 0.130 0.000 0.898 379 T HN 0.250 nan 8.240 nan 0.000 0.536 380 P HA 0.291 nan 4.420 nan 0.000 0.284 380 P C -2.014 175.313 177.300 0.046 0.000 1.432 380 P CA -1.849 61.292 63.100 0.069 0.000 0.929 380 P CB -0.021 31.718 31.700 0.065 0.000 1.158 381 P HA -0.079 nan 4.420 nan 0.000 0.268 381 P C -0.329 176.928 177.300 -0.070 0.000 1.189 381 P CA 0.193 63.291 63.100 -0.002 0.000 0.771 381 P CB 0.790 32.466 31.700 -0.040 0.000 0.822 382 V N 3.579 123.205 119.914 -0.480 0.000 2.427 382 V HA 0.080 4.200 4.120 -0.000 0.000 0.286 382 V C 0.514 176.043 176.094 -0.942 0.000 1.034 382 V CA -0.900 60.976 62.300 -0.708 0.000 0.893 382 V CB 1.242 32.519 31.823 -0.910 0.000 0.982 382 V HN 0.456 nan 8.190 nan 0.000 0.452 383 L N 6.360 126.986 121.223 -0.995 0.000 2.565 383 L HA 0.237 4.577 4.340 -0.000 0.000 0.275 383 L C 0.284 176.870 176.870 -0.473 0.000 1.137 383 L CA 0.604 54.803 54.840 -1.068 0.000 0.915 383 L CB -0.106 41.457 42.059 -0.826 0.000 1.232 383 L HN 0.643 nan 8.230 nan 0.000 0.473 384 D N 1.926 122.158 120.400 -0.280 0.000 2.371 384 D HA 0.080 4.720 4.640 -0.000 0.000 0.242 384 D C 1.224 177.525 176.300 0.003 0.000 1.218 384 D CA 0.628 54.666 54.000 0.064 0.000 0.945 384 D CB 1.538 42.454 40.800 0.194 0.000 1.137 384 D HN 0.710 nan 8.370 nan 0.000 0.464 385 S N 0.886 116.615 115.700 0.049 0.000 2.354 385 S HA -0.272 4.198 4.470 -0.000 0.000 0.219 385 S C 1.148 175.754 174.600 0.010 0.000 1.035 385 S CA 1.729 59.940 58.200 0.018 0.000 1.037 385 S CB -0.635 62.573 63.200 0.013 0.000 0.956 385 S HN 0.655 nan 8.310 nan 0.000 0.428 386 D N 0.763 121.173 120.400 0.018 0.000 2.332 386 D HA 0.359 4.999 4.640 -0.000 0.000 0.244 386 D C 1.010 177.331 176.300 0.036 0.000 1.136 386 D CA 0.426 54.439 54.000 0.022 0.000 0.884 386 D CB -0.810 40.005 40.800 0.024 0.000 0.906 386 D HN 0.764 nan 8.370 nan 0.000 0.520 387 G N -0.357 108.465 108.800 0.036 0.000 2.341 387 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.278 387 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.278 387 G C 0.201 175.194 174.900 0.154 0.000 1.111 387 G CA 0.329 45.465 45.100 0.060 0.000 0.982 387 G HN 0.863 nan 8.290 nan 0.000 0.502 388 S N -1.136 114.638 115.700 0.122 0.000 3.255 388 S HA 0.951 5.421 4.470 -0.000 0.000 0.305 388 S C -0.555 174.048 174.600 0.004 0.000 1.067 388 S CA -0.808 57.516 58.200 0.207 0.000 0.966 388 S CB 2.063 65.365 63.200 0.170 0.000 1.366 388 S HN 0.880 nan 8.310 nan 0.000 0.717 389 F N 0.374 120.196 119.950 -0.213 0.000 2.662 389 F HA 0.795 5.322 4.527 -0.000 0.000 0.312 389 F C -1.254 174.259 175.800 -0.478 0.000 1.113 389 F CA -0.746 56.917 58.000 -0.560 0.000 0.951 389 F CB 2.417 40.740 39.000 -1.128 0.000 1.344 389 F HN 0.801 nan 8.300 nan 0.000 0.462 390 F N 1.832 121.555 119.950 -0.379 0.000 2.708 390 F HA 0.770 5.297 4.527 -0.000 0.000 0.309 390 F C -2.291 173.496 175.800 -0.022 0.000 1.120 390 F CA -1.323 56.606 58.000 -0.119 0.000 0.978 390 F CB 0.980 39.926 39.000 -0.090 0.000 1.283 390 F HN 0.460 nan 8.300 nan 0.000 0.439 391 L N 0.783 122.218 121.223 0.354 0.000 2.491 391 L HA 0.837 5.177 4.340 -0.000 0.000 0.254 391 L C -2.426 174.590 176.870 0.243 0.000 1.048 391 L CA -1.019 53.965 54.840 0.240 0.000 0.855 391 L CB 2.055 44.274 42.059 0.266 0.000 1.466 391 L HN 0.733 nan 8.230 nan 0.000 0.409 392 Y N -0.104 120.306 120.300 0.183 0.000 2.442 392 Y HA 0.788 5.338 4.550 -0.000 0.000 0.344 392 Y C -0.467 175.519 175.900 0.143 0.000 0.976 392 Y CA -1.157 57.035 58.100 0.153 0.000 1.040 392 Y CB 2.426 40.974 38.460 0.146 0.000 1.228 392 Y HN 0.867 nan 8.280 nan 0.000 0.451 393 S N 3.420 119.326 115.700 0.343 0.000 2.513 393 S HA 0.658 5.128 4.470 -0.000 0.000 0.299 393 S C -0.977 173.794 174.600 0.286 0.000 1.087 393 S CA -0.691 57.682 58.200 0.289 0.000 1.012 393 S CB 1.101 64.429 63.200 0.214 0.000 1.044 393 S HN 0.637 nan 8.310 nan 0.000 0.485 394 K N 2.073 122.628 120.400 0.258 0.000 2.221 394 K HA 0.773 5.093 4.320 -0.000 0.000 0.243 394 K C -1.777 174.672 176.600 -0.252 0.000 0.968 394 K CA -0.791 55.508 56.287 0.020 0.000 0.846 394 K CB 1.203 33.699 32.500 -0.007 0.000 1.141 394 K HN 0.397 nan 8.250 nan 0.000 0.434 395 L N 2.300 123.166 121.223 -0.595 0.000 2.611 395 L HA 0.323 4.663 4.340 -0.000 0.000 0.263 395 L C -1.447 175.081 176.870 -0.570 0.000 0.969 395 L CA 0.066 54.437 54.840 -0.782 0.000 0.894 395 L CB 1.703 42.832 42.059 -1.550 0.000 1.229 395 L HN 0.619 nan 8.230 nan 0.000 0.416 396 T N 5.094 119.444 114.554 -0.341 0.000 2.863 396 T HA 0.569 4.919 4.350 -0.000 0.000 0.299 396 T C 0.400 174.971 174.700 -0.216 0.000 0.973 396 T CA -0.049 61.902 62.100 -0.250 0.000 0.994 396 T CB 0.030 68.806 68.868 -0.153 0.000 0.961 396 T HN 0.489 nan 8.240 nan 0.000 0.552 397 V N 0.225 119.983 119.914 -0.259 0.000 3.344 397 V HA 0.708 4.828 4.120 -0.000 0.000 0.301 397 V C -0.601 175.433 176.094 -0.101 0.000 1.286 397 V CA -1.214 60.997 62.300 -0.149 0.000 1.028 397 V CB 1.572 33.299 31.823 -0.161 0.000 1.223 397 V HN 0.458 nan 8.190 nan 0.000 0.478 398 D N 0.380 120.779 120.400 -0.002 0.000 2.350 398 D HA 0.265 4.905 4.640 -0.000 0.000 0.245 398 D C 0.484 176.831 176.300 0.079 0.000 1.036 398 D CA -0.573 53.438 54.000 0.019 0.000 0.848 398 D CB 2.522 43.353 40.800 0.052 0.000 1.307 398 D HN 0.678 nan 8.370 nan 0.000 0.469 399 K N 1.390 121.822 120.400 0.053 0.000 2.097 399 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 399 K C 1.442 178.203 176.600 0.267 0.000 1.049 399 K CA 1.491 57.875 56.287 0.162 0.000 0.933 399 K CB -0.065 32.486 32.500 0.085 0.000 0.717 399 K HN 0.391 nan 8.250 nan 0.000 0.442 400 S N 0.693 116.488 115.700 0.158 0.000 2.368 400 S HA -0.092 4.378 4.470 -0.000 0.000 0.224 400 S C 2.221 176.905 174.600 0.141 0.000 1.029 400 S CA 0.750 59.024 58.200 0.123 0.000 0.988 400 S CB -0.367 62.879 63.200 0.077 0.000 0.838 400 S HN 0.352 nan 8.310 nan 0.000 0.462 401 R N -0.270 120.333 120.500 0.171 0.000 2.193 401 R HA 0.025 4.365 4.340 -0.000 0.000 0.213 401 R C 2.155 178.621 176.300 0.276 0.000 1.055 401 R CA 0.937 57.146 56.100 0.182 0.000 0.995 401 R CB -0.195 30.221 30.300 0.192 0.000 0.893 401 R HN 0.786 nan 8.270 nan 0.000 0.459 402 W N 1.043 122.428 121.300 0.140 0.000 2.443 402 W HA -0.126 4.534 4.660 -0.000 0.000 0.296 402 W C 0.720 177.303 176.519 0.108 0.000 1.202 402 W CA 0.822 58.283 57.345 0.192 0.000 1.312 402 W CB -0.010 29.534 29.460 0.141 0.000 1.120 402 W HN 0.052 nan 8.180 nan 0.000 0.536 403 Q N 0.579 120.415 119.800 0.060 0.000 2.444 403 Q HA -0.078 4.262 4.340 -0.000 0.000 0.206 403 Q C 1.983 177.952 176.000 -0.051 0.000 0.948 403 Q CA 0.564 56.312 55.803 -0.091 0.000 0.946 403 Q CB 0.134 28.880 28.738 0.012 0.000 1.027 403 Q HN 0.449 nan 8.270 nan 0.000 0.513 404 Q N -0.711 119.083 119.800 -0.009 0.000 2.424 404 Q HA 0.069 4.409 4.340 -0.000 0.000 0.204 404 Q C 0.258 176.224 176.000 -0.056 0.000 0.933 404 Q CA 0.455 56.247 55.803 -0.018 0.000 0.929 404 Q CB 0.707 29.451 28.738 0.009 0.000 1.037 404 Q HN 0.438 nan 8.270 nan 0.000 0.511 405 G N 2.021 110.767 108.800 -0.090 0.000 2.638 405 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.269 405 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.269 405 G C -0.730 174.089 174.900 -0.134 0.000 1.141 405 G CA -0.444 44.581 45.100 -0.126 0.000 1.081 405 G HN 0.185 nan 8.290 nan 0.000 0.527 406 N N -0.266 118.333 118.700 -0.168 0.000 2.456 406 N HA 0.459 5.199 4.740 -0.000 0.000 0.288 406 N C 0.630 175.858 175.510 -0.469 0.000 1.059 406 N CA -0.085 52.729 53.050 -0.394 0.000 0.946 406 N CB 1.924 40.035 38.487 -0.628 0.000 1.150 406 N HN 0.509 nan 8.380 nan 0.000 0.479 407 V N 1.307 120.980 119.914 -0.401 0.000 2.221 407 V HA 0.388 4.508 4.120 -0.000 0.000 0.258 407 V C -0.382 175.665 176.094 -0.078 0.000 1.179 407 V CA -0.673 61.533 62.300 -0.156 0.000 1.022 407 V CB -1.514 30.268 31.823 -0.068 0.000 1.228 407 V HN 0.316 nan 8.190 nan 0.000 0.487 408 F N 2.695 122.763 119.950 0.198 0.000 2.424 408 F HA 0.562 5.089 4.527 -0.000 0.000 0.356 408 F C 1.021 177.032 175.800 0.351 0.000 1.110 408 F CA -0.244 57.937 58.000 0.301 0.000 1.161 408 F CB 1.474 40.665 39.000 0.319 0.000 1.115 408 F HN 0.533 nan 8.300 nan 0.000 0.507 409 S N 1.538 117.516 115.700 0.463 0.000 2.669 409 S HA 0.264 4.734 4.470 -0.000 0.000 0.315 409 S C -0.502 174.080 174.600 -0.031 0.000 1.106 409 S CA -0.996 57.317 58.200 0.188 0.000 1.107 409 S CB 0.627 63.899 63.200 0.121 0.000 0.990 409 S HN 0.859 nan 8.310 nan 0.000 0.471 410 c N 4.469 122.780 118.600 -0.481 0.000 2.423 410 c HA 0.440 5.010 4.570 -0.000 0.000 0.378 410 c C 0.627 174.361 174.090 -0.593 0.000 1.068 410 c CA -0.459 55.255 56.329 -1.025 0.000 1.371 410 c CB -2.316 39.248 42.510 -1.576 0.000 1.856 410 c HN 0.804 nan 8.230 nan 0.000 0.523 411 S N 4.085 119.519 115.700 -0.443 0.000 2.510 411 S HA 0.423 4.893 4.470 -0.000 0.000 0.279 411 S C 0.085 174.403 174.600 -0.469 0.000 1.284 411 S CA -0.334 57.625 58.200 -0.400 0.000 1.059 411 S CB 0.825 63.955 63.200 -0.116 0.000 0.901 411 S HN 0.747 nan 8.310 nan 0.000 0.491 412 V N 4.699 124.257 119.914 -0.594 0.000 2.769 412 V HA 0.478 4.598 4.120 -0.000 0.000 0.312 412 V C -0.157 175.676 176.094 -0.434 0.000 1.061 412 V CA -0.694 61.343 62.300 -0.438 0.000 0.931 412 V CB 1.834 33.420 31.823 -0.395 0.000 1.010 412 V HN 0.917 nan 8.190 nan 0.000 0.433 413 M N 4.022 123.506 119.600 -0.194 0.000 3.053 413 M HA 0.396 4.876 4.480 -0.000 0.000 0.293 413 M C -0.954 175.314 176.300 -0.054 0.000 1.470 413 M CA -0.098 55.177 55.300 -0.043 0.000 0.582 413 M CB 0.419 33.070 32.600 0.085 0.000 1.435 413 M HN 0.766 nan 8.290 nan 0.000 0.451 414 H N -0.339 118.591 119.070 -0.233 0.000 2.717 414 H HA 0.335 4.891 4.556 -0.000 0.000 0.366 414 H C 0.639 175.792 175.328 -0.291 0.000 1.132 414 H CA -0.228 55.650 56.048 -0.285 0.000 1.180 414 H CB 1.832 31.324 29.762 -0.450 0.000 1.678 414 H HN 0.382 nan 8.280 nan 0.000 0.537 415 E N 2.940 122.531 120.200 -1.016 0.000 2.110 415 E HA -0.302 4.048 4.350 -0.000 0.000 0.225 415 E C 1.056 177.325 176.600 -0.552 0.000 1.063 415 E CA 2.096 57.935 56.400 -0.936 0.000 0.906 415 E CB -0.200 28.920 29.700 -0.968 0.000 0.795 415 E HN 0.706 nan 8.360 nan 0.000 0.479 416 A N 0.561 123.214 122.820 -0.277 0.000 2.265 416 A HA 0.115 4.435 4.320 -0.000 0.000 0.213 416 A C 0.729 178.268 177.584 -0.075 0.000 1.255 416 A CA 0.156 52.131 52.037 -0.104 0.000 0.862 416 A CB -0.264 18.733 19.000 -0.004 0.000 0.852 416 A HN 0.078 nan 8.150 nan 0.000 0.484 417 L N -1.731 119.423 121.223 -0.116 0.000 2.360 417 L HA 0.285 4.625 4.340 -0.000 0.000 0.271 417 L C 1.872 178.756 176.870 0.023 0.000 1.057 417 L CA -0.982 53.834 54.840 -0.040 0.000 0.803 417 L CB 0.484 42.509 42.059 -0.057 0.000 1.207 417 L HN 0.384 nan 8.230 nan 0.000 0.445 418 H N 1.942 121.023 119.070 0.018 0.000 2.260 418 H HA -0.217 4.339 4.556 -0.000 0.000 0.288 418 H C 0.817 176.199 175.328 0.090 0.000 1.094 418 H CA 2.601 58.682 56.048 0.054 0.000 1.197 418 H CB 0.250 30.040 29.762 0.047 0.000 1.346 418 H HN 0.561 nan 8.280 nan 0.000 0.486 419 N N 0.027 118.912 118.700 0.309 0.000 2.279 419 N HA 0.029 4.769 4.740 -0.000 0.000 0.226 419 N C -0.442 175.226 175.510 0.264 0.000 1.126 419 N CA 0.049 53.246 53.050 0.246 0.000 0.846 419 N CB -0.123 38.478 38.487 0.189 0.000 1.050 419 N HN 0.378 nan 8.380 nan 0.000 0.502 420 H N -0.335 118.799 119.070 0.106 0.000 2.690 420 H HA -0.291 4.265 4.556 -0.000 0.000 0.309 420 H C -1.129 174.270 175.328 0.119 0.000 1.138 420 H CA 1.197 57.281 56.048 0.060 0.000 1.142 420 H CB -0.891 28.891 29.762 0.033 0.000 1.410 420 H HN 0.435 nan 8.280 nan 0.000 0.409 421 Y N -0.815 119.484 120.300 -0.002 0.000 2.527 421 Y HA 0.336 4.886 4.550 -0.000 0.000 0.328 421 Y C -1.321 174.565 175.900 -0.023 0.000 1.216 421 Y CA -0.029 58.057 58.100 -0.024 0.000 1.152 421 Y CB 1.481 39.941 38.460 0.001 0.000 1.342 421 Y HN 0.118 nan 8.280 nan 0.000 0.465 422 T N 5.420 119.799 114.554 -0.292 0.000 2.923 422 T HA 0.370 4.720 4.350 -0.000 0.000 0.311 422 T C -2.209 172.147 174.700 -0.572 0.000 1.183 422 T CA -0.589 61.360 62.100 -0.252 0.000 1.020 422 T CB 1.604 70.388 68.868 -0.140 0.000 1.165 422 T HN 0.746 nan 8.240 nan 0.000 0.482 423 Q N 4.016 123.581 119.800 -0.391 0.000 2.310 423 Q HA 0.439 4.779 4.340 -0.000 0.000 0.270 423 Q C -1.148 174.728 176.000 -0.206 0.000 1.025 423 Q CA -0.818 54.757 55.803 -0.380 0.000 0.772 423 Q CB 1.432 30.017 28.738 -0.254 0.000 1.253 423 Q HN 0.460 nan 8.270 nan 0.000 0.450 424 K N 1.702 121.964 120.400 -0.230 0.000 2.087 424 K HA 0.494 4.814 4.320 -0.000 0.000 0.255 424 K C -1.016 175.510 176.600 -0.123 0.000 0.988 424 K CA -0.268 55.937 56.287 -0.137 0.000 0.915 424 K CB 1.547 33.969 32.500 -0.131 0.000 1.043 424 K HN 0.712 nan 8.250 nan 0.000 0.457 425 S N 1.877 117.562 115.700 -0.025 0.000 2.536 425 S HA 0.568 5.038 4.470 -0.000 0.000 0.287 425 S C -1.176 173.492 174.600 0.114 0.000 1.101 425 S CA -0.776 57.450 58.200 0.044 0.000 0.950 425 S CB 1.528 64.758 63.200 0.050 0.000 1.056 425 S HN 0.536 nan 8.310 nan 0.000 0.481 426 L N 2.573 123.925 121.223 0.215 0.000 2.445 426 L HA 0.850 5.190 4.340 -0.000 0.000 0.262 426 L C -0.983 176.113 176.870 0.378 0.000 0.974 426 L CA -0.085 54.933 54.840 0.297 0.000 0.822 426 L CB 1.921 44.210 42.059 0.383 0.000 1.339 426 L HN 0.979 nan 8.230 nan 0.000 0.409 427 S N 2.682 118.566 115.700 0.307 0.000 2.656 427 S HA 0.526 4.996 4.470 -0.000 0.000 0.265 427 S C -1.381 173.229 174.600 0.017 0.000 1.132 427 S CA -0.854 57.483 58.200 0.230 0.000 0.819 427 S CB 1.570 64.823 63.200 0.090 0.000 1.119 427 S HN 0.601 nan 8.310 nan 0.000 0.476 428 L N 0.000 120.998 121.223 -0.375 0.000 2.949 428 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 428 L CA 0.000 54.537 54.840 -0.505 0.000 0.813 428 L CB 0.000 41.364 42.059 -1.159 0.000 0.961 428 L HN 0.000 nan 8.230 nan 0.000 0.502