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 2qhf_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLRWITAGES HGRALVAVVE GMVAGVHVTS ADIADQLARR RLGYGRGARM DATA SEQUENCE TFERDAVTVL SGIRHGSTLG GPIAIEIGNT EWPKWETVMA ADPVDPAELA DATA SEQUENCE DVARNAPLTR PRPGHADYAG MLKYGFDDAR PVLERASARE TAARVAAGTV DATA SEQUENCE ARAFLRQALG VEVLSHVISI GASAPYEGPP PRAEDLPAID ASPVRAYDKA DATA SEQUENCE AEADMIAQIE AAKKDGDTLG GVVEAVALGL PVGLGSFTSG DHRLDSQLAA DATA SEQUENCE AVMGIQAIKG VEIGDGFQTA RRRGSRAHDE MYPGPDGVVR STNRAGGLEG DATA SEQUENCE GMTNGQPLRV RAAMKPISTV PRALATVDLA TGDEAVAIHQ RSDVCAVPAA DATA SEQUENCE GVVVETMVAL VLARAALEKF GGDSLAETQR NIAAYQRSVA DR 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.263 176.300 -0.061 0.000 1.140 1 M CA 0.000 55.264 55.300 -0.060 0.000 0.988 1 M CB 0.000 32.555 32.600 -0.075 0.000 1.302 2 L N 4.621 125.824 121.223 -0.034 0.000 2.462 2 L HA 0.426 4.766 4.340 -0.000 0.000 0.272 2 L C -0.767 176.074 176.870 -0.048 0.000 1.166 2 L CA 1.165 56.020 54.840 0.026 0.000 0.880 2 L CB 0.264 42.397 42.059 0.122 0.000 1.142 2 L HN 0.663 nan 8.230 nan 0.000 0.473 3 R N 3.958 124.426 120.500 -0.054 0.000 2.771 3 R HA 0.648 4.988 4.340 -0.000 0.000 0.274 3 R C -1.797 174.498 176.300 -0.008 0.000 0.987 3 R CA -0.709 55.206 56.100 -0.308 0.000 0.908 3 R CB 1.746 31.885 30.300 -0.267 0.000 1.213 3 R HN 0.747 nan 8.270 nan 0.000 0.468 4 W N 1.013 122.299 121.300 -0.024 0.000 3.022 4 W HA 0.739 5.398 4.660 -0.000 0.000 0.335 4 W C -1.519 174.990 176.519 -0.017 0.000 1.133 4 W CA -0.941 56.392 57.345 -0.020 0.000 1.219 4 W CB 0.645 30.095 29.460 -0.017 0.000 1.409 4 W HN 0.263 nan 8.180 nan 0.000 0.507 5 I N 2.772 123.447 120.570 0.176 0.000 2.619 5 I HA 0.609 4.779 4.170 -0.000 0.000 0.292 5 I C 0.055 176.229 176.117 0.095 0.000 1.100 5 I CA -0.802 60.549 61.300 0.086 0.000 1.043 5 I CB 2.665 40.679 38.000 0.023 0.000 1.239 5 I HN 0.570 nan 8.210 nan 0.000 0.420 6 T N 2.051 116.651 114.554 0.076 0.000 2.912 6 T HA 0.985 5.334 4.350 -0.000 0.000 0.288 6 T C -0.577 174.132 174.700 0.016 0.000 1.030 6 T CA -0.771 61.356 62.100 0.044 0.000 1.020 6 T CB 2.035 70.929 68.868 0.043 0.000 1.056 6 T HN 0.871 nan 8.240 nan 0.000 0.480 7 A N 0.482 123.300 122.820 -0.005 0.000 2.539 7 A HA 1.036 5.356 4.320 -0.000 0.000 0.296 7 A C 0.072 177.632 177.584 -0.040 0.000 1.073 7 A CA -0.396 51.629 52.037 -0.020 0.000 0.700 7 A CB 1.335 20.322 19.000 -0.022 0.000 1.296 7 A HN 2.289 nan 8.150 nan 0.000 0.405 8 G N 0.427 109.196 108.800 -0.052 0.000 2.379 8 G HA2 0.452 4.412 3.960 -0.000 0.000 0.609 8 G HA3 0.452 4.412 3.960 -0.000 0.000 0.609 8 G C -1.483 173.368 174.900 -0.082 0.000 1.484 8 G CA -0.838 44.218 45.100 -0.073 0.000 0.921 8 G HN 0.814 nan 8.290 nan 0.000 0.658 9 E N 0.023 120.165 120.200 -0.096 0.000 2.222 9 E HA 0.639 4.989 4.350 -0.000 0.000 0.272 9 E C 1.579 178.075 176.600 -0.172 0.000 0.982 9 E CA -0.028 56.300 56.400 -0.121 0.000 0.842 9 E CB 1.572 31.215 29.700 -0.095 0.000 1.144 9 E HN 0.679 nan 8.360 nan 0.000 0.397 10 S N 1.194 116.732 115.700 -0.270 0.000 2.370 10 S HA -0.236 4.234 4.470 -0.000 0.000 0.226 10 S C 0.911 175.218 174.600 -0.487 0.000 1.033 10 S CA 1.457 59.411 58.200 -0.410 0.000 1.011 10 S CB -0.408 62.434 63.200 -0.598 0.000 0.852 10 S HN 0.617 nan 8.310 nan 0.000 0.457 11 H N 1.224 120.092 119.070 -0.338 0.000 2.505 11 H HA 0.491 5.047 4.556 -0.000 0.000 0.286 11 H C 1.286 176.594 175.328 -0.032 0.000 1.072 11 H CA -0.286 55.486 56.048 -0.461 0.000 1.141 11 H CB 0.096 29.078 29.762 -1.300 0.000 1.550 11 H HN 0.509 nan 8.280 nan 0.000 0.547 12 G N -0.082 108.756 108.800 0.062 0.000 2.588 12 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.278 12 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.278 12 G C 0.992 175.798 174.900 -0.156 0.000 1.307 12 G CA -0.505 44.633 45.100 0.063 0.000 1.016 12 G HN 0.192 nan 8.290 nan 0.000 0.503 13 R N -0.538 119.496 120.500 -0.776 0.000 2.096 13 R HA -0.022 4.318 4.340 -0.000 0.000 0.240 13 R C 0.959 176.955 176.300 -0.507 0.000 1.139 13 R CA 1.639 57.026 56.100 -1.188 0.000 0.952 13 R CB -0.799 28.861 30.300 -1.065 0.000 0.854 13 R HN 0.691 nan 8.270 nan 0.000 0.436 14 A N -0.952 121.678 122.820 -0.317 0.000 2.601 14 A HA 0.550 4.870 4.320 -0.000 0.000 0.291 14 A C -1.303 176.199 177.584 -0.136 0.000 1.075 14 A CA -0.765 51.160 52.037 -0.187 0.000 0.671 14 A CB 0.811 19.706 19.000 -0.176 0.000 1.277 14 A HN 0.075 nan 8.150 nan 0.000 0.417 15 L N 0.358 121.524 121.223 -0.095 0.000 2.344 15 L HA 0.809 5.149 4.340 -0.000 0.000 0.272 15 L C -0.712 176.123 176.870 -0.058 0.000 1.035 15 L CA -1.106 53.690 54.840 -0.072 0.000 0.807 15 L CB 1.644 43.668 42.059 -0.058 0.000 1.237 15 L HN 0.441 nan 8.230 nan 0.000 0.442 16 V N 0.852 120.740 119.914 -0.044 0.000 2.760 16 V HA 0.722 4.842 4.120 -0.000 0.000 0.309 16 V C -0.366 175.721 176.094 -0.011 0.000 1.077 16 V CA -0.562 61.720 62.300 -0.030 0.000 0.910 16 V CB 1.888 33.691 31.823 -0.032 0.000 1.008 16 V HN 0.878 nan 8.190 nan 0.000 0.424 17 A N 3.970 126.790 122.820 -0.001 0.000 2.342 17 A HA 0.926 5.246 4.320 -0.000 0.000 0.323 17 A C -1.055 176.545 177.584 0.028 0.000 1.125 17 A CA -0.584 51.467 52.037 0.022 0.000 0.785 17 A CB 1.723 20.735 19.000 0.020 0.000 1.221 17 A HN 0.730 nan 8.150 nan 0.000 0.463 18 V N 2.662 122.604 119.914 0.048 0.000 2.531 18 V HA 0.488 4.608 4.120 -0.000 0.000 0.301 18 V C -0.579 175.563 176.094 0.081 0.000 1.034 18 V CA -0.531 61.795 62.300 0.044 0.000 0.865 18 V CB 1.688 33.526 31.823 0.024 0.000 0.995 18 V HN 0.661 nan 8.190 nan 0.000 0.424 19 V N 4.206 124.164 119.914 0.074 0.000 2.409 19 V HA 0.507 4.626 4.120 -0.000 0.000 0.291 19 V C -0.155 175.974 176.094 0.058 0.000 1.020 19 V CA -0.467 61.896 62.300 0.105 0.000 0.848 19 V CB 1.702 33.584 31.823 0.098 0.000 0.990 19 V HN 0.953 nan 8.190 nan 0.000 0.430 20 E N 2.787 123.016 120.200 0.048 0.000 2.227 20 E HA 0.591 4.941 4.350 -0.000 0.000 0.268 20 E C 0.767 177.367 176.600 -0.000 0.000 0.907 20 E CA 0.190 56.596 56.400 0.010 0.000 0.786 20 E CB 1.840 31.533 29.700 -0.012 0.000 1.191 20 E HN 0.936 nan 8.360 nan 0.000 0.411 21 G N 2.907 111.697 108.800 -0.016 0.000 2.141 21 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.242 21 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.242 21 G C -0.049 174.816 174.900 -0.059 0.000 0.982 21 G CA 0.400 45.479 45.100 -0.034 0.000 0.662 21 G HN 0.425 nan 8.290 nan 0.000 0.527 22 M N 1.994 121.563 119.600 -0.052 0.000 2.235 22 M HA 0.618 5.098 4.480 -0.000 0.000 0.351 22 M C 1.034 177.298 176.300 -0.060 0.000 1.178 22 M CA -1.009 54.233 55.300 -0.097 0.000 1.143 22 M CB 1.289 33.855 32.600 -0.058 0.000 1.530 22 M HN 0.983 nan 8.290 nan 0.000 0.461 23 V N 3.134 123.004 119.914 -0.074 0.000 2.999 23 V HA 0.604 4.724 4.120 -0.000 0.000 0.307 23 V C 0.475 176.592 176.094 0.038 0.000 1.084 23 V CA -0.711 61.591 62.300 0.003 0.000 1.155 23 V CB -0.678 31.179 31.823 0.056 0.000 0.975 23 V HN 1.081 nan 8.190 nan 0.000 0.490 24 A N 2.835 125.680 122.820 0.042 0.000 2.386 24 A HA 0.607 4.927 4.320 -0.000 0.000 0.248 24 A C 1.481 179.108 177.584 0.072 0.000 1.082 24 A CA 0.301 52.369 52.037 0.052 0.000 0.789 24 A CB -0.149 18.875 19.000 0.040 0.000 1.025 24 A HN 2.811 nan 8.150 nan 0.000 0.490 25 G N -0.273 108.580 108.800 0.088 0.000 2.176 25 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.232 25 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.232 25 G C 0.109 175.061 174.900 0.086 0.000 0.986 25 G CA 0.031 45.194 45.100 0.104 0.000 0.643 25 G HN 1.344 nan 8.290 nan 0.000 0.522 26 V N 2.808 122.786 119.914 0.107 0.000 2.488 26 V HA 0.406 4.526 4.120 -0.000 0.000 0.277 26 V C 0.441 176.650 176.094 0.193 0.000 1.046 26 V CA -0.859 61.492 62.300 0.085 0.000 0.986 26 V CB 1.008 32.919 31.823 0.146 0.000 0.989 26 V HN 0.326 nan 8.190 nan 0.000 0.475 27 H N 3.668 122.766 119.070 0.046 0.000 2.864 27 H HA 0.603 5.159 4.556 -0.000 0.000 0.281 27 H C -0.081 175.267 175.328 0.033 0.000 1.093 27 H CA -0.174 55.895 56.048 0.035 0.000 1.453 27 H CB 1.116 30.892 29.762 0.023 0.000 1.462 27 H HN 0.416 nan 8.280 nan 0.000 0.480 28 V N 3.541 123.543 119.914 0.147 0.000 2.969 28 V HA 0.577 4.697 4.120 -0.000 0.000 0.304 28 V C -0.613 175.514 176.094 0.056 0.000 1.192 28 V CA -0.406 61.947 62.300 0.087 0.000 0.962 28 V CB 2.525 34.393 31.823 0.075 0.000 1.045 28 V HN 0.998 nan 8.190 nan 0.000 0.428 29 T N 1.461 116.038 114.554 0.038 0.000 2.887 29 T HA 0.474 4.824 4.350 -0.000 0.000 0.292 29 T C 0.917 175.627 174.700 0.017 0.000 1.087 29 T CA 0.145 62.260 62.100 0.025 0.000 1.009 29 T CB 1.667 70.546 68.868 0.018 0.000 1.203 29 T HN 0.699 nan 8.240 nan 0.000 0.518 30 S N 0.604 116.311 115.700 0.012 0.000 2.383 30 S HA -0.087 4.383 4.470 -0.000 0.000 0.229 30 S C 2.432 177.033 174.600 0.002 0.000 1.030 30 S CA 1.274 59.477 58.200 0.005 0.000 1.002 30 S CB -0.958 62.245 63.200 0.004 0.000 0.829 30 S HN 0.939 nan 8.310 nan 0.000 0.467 31 A N 2.218 125.040 122.820 0.004 0.000 1.933 31 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 31 A C 1.831 179.416 177.584 0.002 0.000 1.175 31 A CA 1.611 53.648 52.037 0.001 0.000 0.628 31 A CB -0.634 18.367 19.000 0.002 0.000 0.814 31 A HN 0.361 nan 8.150 nan 0.000 0.444 32 D N 0.193 120.598 120.400 0.007 0.000 2.123 32 D HA -0.142 4.497 4.640 -0.000 0.000 0.196 32 D C 1.857 178.159 176.300 0.003 0.000 0.992 32 D CA 1.352 55.357 54.000 0.008 0.000 0.833 32 D CB -0.374 40.436 40.800 0.018 0.000 0.954 32 D HN 0.544 nan 8.370 nan 0.000 0.455 33 I N 1.307 121.878 120.570 0.002 0.000 2.179 33 I HA -0.248 3.921 4.170 -0.000 0.000 0.242 33 I C 2.556 178.667 176.117 -0.010 0.000 1.088 33 I CA 1.128 62.426 61.300 -0.004 0.000 1.357 33 I CB -0.261 37.736 38.000 -0.004 0.000 1.051 33 I HN -0.084 nan 8.210 nan 0.000 0.409 34 A N 0.460 123.274 122.820 -0.010 0.000 1.940 34 A HA -0.247 4.072 4.320 -0.000 0.000 0.219 34 A C 1.934 179.508 177.584 -0.016 0.000 1.176 34 A CA 2.127 54.154 52.037 -0.016 0.000 0.631 34 A CB -0.625 18.365 19.000 -0.016 0.000 0.814 34 A HN 0.357 nan 8.150 nan 0.000 0.446 35 D N -0.458 119.936 120.400 -0.011 0.000 2.117 35 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 35 D C 2.157 178.451 176.300 -0.010 0.000 0.987 35 D CA 1.253 55.247 54.000 -0.009 0.000 0.829 35 D CB -0.257 40.541 40.800 -0.004 0.000 0.961 35 D HN 0.378 nan 8.370 nan 0.000 0.460 36 Q N 0.021 119.815 119.800 -0.010 0.000 2.123 36 Q HA 0.003 4.343 4.340 -0.000 0.000 0.199 36 Q C 2.625 178.616 176.000 -0.014 0.000 0.966 36 Q CA 0.358 56.154 55.803 -0.012 0.000 0.845 36 Q CB -0.278 28.451 28.738 -0.014 0.000 0.907 36 Q HN 0.386 nan 8.270 nan 0.000 0.439 37 L N 0.178 121.391 121.223 -0.017 0.000 2.083 37 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 37 L C 2.399 179.258 176.870 -0.019 0.000 1.083 37 L CA 1.088 55.916 54.840 -0.019 0.000 0.752 37 L CB -0.623 41.422 42.059 -0.022 0.000 0.899 37 L HN 0.111 nan 8.230 nan 0.000 0.433 38 A N 0.133 122.941 122.820 -0.020 0.000 1.972 38 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 38 A C 2.328 179.907 177.584 -0.009 0.000 1.169 38 A CA 1.291 53.316 52.037 -0.021 0.000 0.635 38 A CB -0.457 18.530 19.000 -0.022 0.000 0.810 38 A HN 0.349 nan 8.150 nan 0.000 0.446 39 R N -0.535 119.962 120.500 -0.005 0.000 2.193 39 R HA -0.072 4.268 4.340 -0.000 0.000 0.229 39 R C 1.977 178.280 176.300 0.005 0.000 1.110 39 R CA 1.140 57.241 56.100 0.002 0.000 0.988 39 R CB -0.250 30.051 30.300 0.001 0.000 0.871 39 R HN 0.509 nan 8.270 nan 0.000 0.458 40 R N 0.337 120.837 120.500 -0.001 0.000 2.285 40 R HA -0.041 4.299 4.340 -0.000 0.000 0.213 40 R C 1.599 177.905 176.300 0.009 0.000 1.068 40 R CA 0.752 56.853 56.100 0.002 0.000 1.004 40 R CB -0.039 30.258 30.300 -0.005 0.000 0.873 40 R HN 0.188 nan 8.270 nan 0.000 0.467 41 R N 0.350 120.856 120.500 0.009 0.000 2.313 41 R HA 0.138 4.478 4.340 -0.000 0.000 0.199 41 R C 0.229 176.549 176.300 0.034 0.000 0.958 41 R CA 0.090 56.202 56.100 0.019 0.000 1.047 41 R CB 0.098 30.403 30.300 0.009 0.000 0.955 41 R HN 0.083 nan 8.270 nan 0.000 0.481 42 L N 0.479 121.721 121.223 0.032 0.000 2.417 42 L HA 0.376 4.716 4.340 -0.000 0.000 0.268 42 L C 0.641 177.544 176.870 0.054 0.000 1.158 42 L CA 0.007 54.873 54.840 0.044 0.000 0.819 42 L CB 1.079 43.160 42.059 0.037 0.000 1.112 42 L HN 0.261 nan 8.230 nan 0.000 0.458 43 G N 0.958 109.803 108.800 0.075 0.000 2.627 43 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.680 43 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.680 43 G C -1.360 173.631 174.900 0.152 0.000 1.341 43 G CA -0.997 44.163 45.100 0.099 0.000 0.835 43 G HN 0.443 nan 8.290 nan 0.000 0.643 44 Y N 1.988 122.300 120.300 0.021 0.000 2.804 44 Y HA 0.344 4.894 4.550 -0.000 0.000 0.338 44 Y C 1.610 177.522 175.900 0.021 0.000 1.252 44 Y CA 1.148 59.260 58.100 0.020 0.000 1.576 44 Y CB 0.434 38.903 38.460 0.016 0.000 1.223 44 Y HN 2.390 nan 8.280 nan 0.000 0.536 45 G N 4.787 113.542 108.800 -0.075 0.000 2.159 45 G HA2 -0.378 3.581 3.960 -0.000 0.000 0.256 45 G HA3 -0.378 3.581 3.960 -0.000 0.000 0.256 45 G C 1.255 176.123 174.900 -0.053 0.000 0.977 45 G CA 0.543 45.535 45.100 -0.180 0.000 0.652 45 G HN 0.671 nan 8.290 nan 0.000 0.531 46 R N 1.119 121.626 120.500 0.012 0.000 2.152 46 R HA 0.077 4.417 4.340 -0.000 0.000 0.232 46 R C 2.673 178.995 176.300 0.037 0.000 1.117 46 R CA 2.461 58.577 56.100 0.027 0.000 0.981 46 R CB -1.034 29.293 30.300 0.045 0.000 0.870 46 R HN 0.581 nan 8.270 nan 0.000 0.451 47 G N -0.637 108.193 108.800 0.050 0.000 2.498 47 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.219 47 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.219 47 G C 1.397 176.329 174.900 0.053 0.000 1.119 47 G CA 0.619 45.759 45.100 0.067 0.000 0.766 47 G HN 0.446 nan 8.290 nan 0.000 0.552 48 A N 0.226 123.061 122.820 0.026 0.000 2.121 48 A HA 0.118 4.438 4.320 -0.000 0.000 0.218 48 A C 2.272 179.881 177.584 0.042 0.000 1.154 48 A CA 1.900 53.951 52.037 0.024 0.000 0.679 48 A CB -0.174 18.822 19.000 -0.007 0.000 0.795 48 A HN 0.338 nan 8.150 nan 0.000 0.458 49 R N -1.324 119.200 120.500 0.041 0.000 2.164 49 R HA 0.359 4.699 4.340 -0.000 0.000 0.198 49 R C 0.382 176.714 176.300 0.052 0.000 1.028 49 R CA 0.564 56.691 56.100 0.045 0.000 1.083 49 R CB -0.051 30.267 30.300 0.031 0.000 1.026 49 R HN 0.403 nan 8.270 nan 0.000 0.514 50 M N 1.693 121.325 119.600 0.053 0.000 2.336 50 M HA 0.273 4.753 4.480 -0.000 0.000 0.342 50 M C -0.294 176.055 176.300 0.082 0.000 1.128 50 M CA -0.840 54.493 55.300 0.056 0.000 1.016 50 M CB 2.037 34.661 32.600 0.039 0.000 1.665 50 M HN 0.162 nan 8.290 nan 0.000 0.445 51 T N -0.824 113.783 114.554 0.088 0.000 2.918 51 T HA 0.134 4.484 4.350 -0.000 0.000 0.302 51 T C 0.723 175.506 174.700 0.137 0.000 1.045 51 T CA -0.512 61.661 62.100 0.123 0.000 1.114 51 T CB 0.715 69.655 68.868 0.119 0.000 0.965 51 T HN 0.579 nan 8.240 nan 0.000 0.540 52 F N 1.325 121.298 119.950 0.039 0.000 2.161 52 F HA 0.028 4.555 4.527 -0.000 0.000 0.300 52 F C 1.352 177.173 175.800 0.034 0.000 1.089 52 F CA 1.115 59.136 58.000 0.034 0.000 1.282 52 F CB -0.203 38.816 39.000 0.031 0.000 1.010 52 F HN 0.797 nan 8.300 nan 0.000 0.485 53 E N 1.963 122.187 120.200 0.040 0.000 2.366 53 E HA 0.031 4.381 4.350 -0.000 0.000 0.266 53 E C -0.274 176.266 176.600 -0.100 0.000 1.015 53 E CA -0.353 56.014 56.400 -0.054 0.000 0.906 53 E CB 0.448 30.186 29.700 0.063 0.000 0.979 53 E HN 0.272 nan 8.360 nan 0.000 0.443 54 R N 3.655 124.060 120.500 -0.157 0.000 2.441 54 R HA 0.146 4.486 4.340 -0.000 0.000 0.284 54 R C -0.257 176.013 176.300 -0.050 0.000 1.070 54 R CA -0.569 55.464 56.100 -0.113 0.000 1.047 54 R CB 0.611 30.829 30.300 -0.138 0.000 1.016 54 R HN 0.541 nan 8.270 nan 0.000 0.477 55 D N 0.966 121.346 120.400 -0.033 0.000 2.313 55 D HA 0.161 4.801 4.640 -0.000 0.000 0.247 55 D C -0.200 176.089 176.300 -0.018 0.000 1.094 55 D CA 0.003 53.995 54.000 -0.013 0.000 0.925 55 D CB 1.357 42.151 40.800 -0.010 0.000 1.188 55 D HN 0.507 nan 8.370 nan 0.000 0.430 56 A N 1.605 124.420 122.820 -0.009 0.000 2.409 56 A HA 0.362 4.682 4.320 -0.000 0.000 0.262 56 A C -0.096 177.478 177.584 -0.016 0.000 1.113 56 A CA -0.441 51.590 52.037 -0.010 0.000 0.790 56 A CB 0.463 19.461 19.000 -0.004 0.000 1.046 56 A HN 0.321 nan 8.150 nan 0.000 0.496 57 V N 2.967 122.872 119.914 -0.015 0.000 2.398 57 V HA 0.542 4.662 4.120 -0.000 0.000 0.286 57 V C 0.136 176.222 176.094 -0.012 0.000 1.026 57 V CA -0.153 62.138 62.300 -0.016 0.000 0.868 57 V CB 1.566 33.380 31.823 -0.014 0.000 0.982 57 V HN 0.935 nan 8.190 nan 0.000 0.443 58 T N 3.943 118.488 114.554 -0.015 0.000 2.881 58 T HA 0.393 4.743 4.350 -0.000 0.000 0.291 58 T C -0.425 174.268 174.700 -0.012 0.000 0.990 58 T CA -0.416 61.676 62.100 -0.012 0.000 0.976 58 T CB 1.617 70.475 68.868 -0.016 0.000 0.970 58 T HN 0.290 nan 8.240 nan 0.000 0.438 59 V N 5.430 125.339 119.914 -0.007 0.000 2.427 59 V HA 0.190 4.310 4.120 -0.000 0.000 0.268 59 V C 1.162 177.250 176.094 -0.009 0.000 1.046 59 V CA -0.031 62.266 62.300 -0.006 0.000 0.970 59 V CB 0.424 32.246 31.823 -0.001 0.000 1.001 59 V HN 0.856 nan 8.190 nan 0.000 0.476 60 L N 3.688 124.904 121.223 -0.011 0.000 2.249 60 L HA 0.177 4.517 4.340 -0.000 0.000 0.207 60 L C 0.974 177.835 176.870 -0.014 0.000 1.090 60 L CA 0.691 55.523 54.840 -0.014 0.000 0.802 60 L CB 0.246 42.295 42.059 -0.017 0.000 0.947 60 L HN 0.824 nan 8.230 nan 0.000 0.453 61 S N -2.430 113.263 115.700 -0.012 0.000 2.588 61 S HA 0.614 5.083 4.470 -0.000 0.000 0.269 61 S C 0.289 174.884 174.600 -0.009 0.000 1.157 61 S CA -0.045 58.147 58.200 -0.013 0.000 0.824 61 S CB 1.803 64.996 63.200 -0.012 0.000 1.126 61 S HN 0.286 nan 8.310 nan 0.000 0.464 62 G N 0.342 109.134 108.800 -0.012 0.000 2.176 62 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.253 62 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.253 62 G C -0.174 174.725 174.900 -0.002 0.000 0.979 62 G CA 0.286 45.383 45.100 -0.005 0.000 0.641 62 G HN 1.136 nan 8.290 nan 0.000 0.530 63 I N -0.184 120.380 120.570 -0.010 0.000 2.569 63 I HA 0.575 4.745 4.170 -0.000 0.000 0.290 63 I C -0.048 176.045 176.117 -0.040 0.000 1.088 63 I CA -0.957 60.340 61.300 -0.006 0.000 1.047 63 I CB 2.292 40.298 38.000 0.010 0.000 1.237 63 I HN 0.099 nan 8.210 nan 0.000 0.421 64 R N 4.699 125.165 120.500 -0.058 0.000 2.532 64 R HA 0.418 4.758 4.340 -0.000 0.000 0.297 64 R C -0.533 175.708 176.300 -0.099 0.000 0.984 64 R CA -0.550 55.449 56.100 -0.169 0.000 0.884 64 R CB 0.753 30.911 30.300 -0.238 0.000 1.182 64 R HN 0.818 nan 8.270 nan 0.000 0.442 65 H N 2.627 121.691 119.070 -0.010 0.000 2.713 65 H HA -0.219 4.337 4.556 -0.000 0.000 0.311 65 H C 0.857 176.157 175.328 -0.045 0.000 1.175 65 H CA 0.744 56.777 56.048 -0.026 0.000 1.143 65 H CB -0.851 28.895 29.762 -0.027 0.000 1.434 65 H HN 1.150 nan 8.280 nan 0.000 0.418 66 G N -0.439 108.400 108.800 0.065 0.000 2.148 66 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.254 66 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.254 66 G C 0.120 175.039 174.900 0.032 0.000 0.981 66 G CA 0.482 45.594 45.100 0.021 0.000 0.670 66 G HN 0.743 nan 8.290 nan 0.000 0.528 67 S N 0.214 115.949 115.700 0.059 0.000 2.532 67 S HA 0.704 5.174 4.470 -0.000 0.000 0.299 67 S C 0.507 175.159 174.600 0.086 0.000 1.105 67 S CA 0.524 58.798 58.200 0.124 0.000 1.018 67 S CB 1.136 64.413 63.200 0.128 0.000 1.021 67 S HN 1.273 nan 8.310 nan 0.000 0.483 68 T N 2.992 117.605 114.554 0.098 0.000 2.932 68 T HA 0.258 4.607 4.350 -0.000 0.000 0.312 68 T C 1.236 175.964 174.700 0.046 0.000 1.071 68 T CA -0.382 61.755 62.100 0.061 0.000 1.128 68 T CB 0.235 69.142 68.868 0.065 0.000 0.984 68 T HN 0.588 nan 8.240 nan 0.000 0.549 69 L N 1.754 122.991 121.223 0.024 0.000 2.554 69 L HA 0.322 4.662 4.340 -0.000 0.000 0.225 69 L C 2.299 179.177 176.870 0.014 0.000 1.104 69 L CA 0.512 55.360 54.840 0.013 0.000 0.866 69 L CB -0.488 41.569 42.059 -0.004 0.000 1.047 69 L HN 1.172 nan 8.230 nan 0.000 0.468 70 G N -0.316 108.493 108.800 0.015 0.000 2.258 70 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.233 70 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.233 70 G C 0.625 175.525 174.900 0.000 0.000 1.006 70 G CA -0.149 44.955 45.100 0.008 0.000 0.620 70 G HN 0.487 nan 8.290 nan 0.000 0.511 71 G N 0.440 109.240 108.800 -0.001 0.000 2.543 71 G HA2 0.643 4.603 3.960 -0.000 0.000 0.290 71 G HA3 0.643 4.603 3.960 -0.000 0.000 0.290 71 G C -2.355 172.544 174.900 -0.002 0.000 1.310 71 G CA -0.691 44.407 45.100 -0.004 0.000 1.025 71 G HN 0.241 nan 8.290 nan 0.000 0.502 72 P HA 0.209 nan 4.420 nan 0.000 0.268 72 P C -0.541 176.761 177.300 0.004 0.000 1.204 72 P CA 0.203 63.303 63.100 0.001 0.000 0.768 72 P CB 0.686 32.384 31.700 -0.003 0.000 0.842 73 I N 2.210 122.787 120.570 0.011 0.000 2.330 73 I HA 0.496 4.666 4.170 -0.000 0.000 0.289 73 I C 0.233 176.358 176.117 0.012 0.000 1.001 73 I CA -0.550 60.757 61.300 0.012 0.000 1.193 73 I CB 1.305 39.316 38.000 0.019 0.000 1.345 73 I HN 0.279 nan 8.210 nan 0.000 0.461 74 A N 8.146 130.969 122.820 0.004 0.000 2.318 74 A HA 0.849 5.169 4.320 -0.000 0.000 0.317 74 A C -0.664 176.918 177.584 -0.003 0.000 1.159 74 A CA -0.429 51.608 52.037 0.001 0.000 0.799 74 A CB 0.649 19.646 19.000 -0.006 0.000 1.194 74 A HN 0.679 nan 8.150 nan 0.000 0.479 75 I N 1.623 122.191 120.570 -0.004 0.000 2.465 75 I HA 0.373 4.543 4.170 -0.000 0.000 0.291 75 I C -0.007 176.100 176.117 -0.017 0.000 1.014 75 I CA -0.271 61.024 61.300 -0.008 0.000 1.093 75 I CB 2.063 40.060 38.000 -0.005 0.000 1.267 75 I HN 0.790 nan 8.210 nan 0.000 0.431 76 E N 6.836 127.022 120.200 -0.023 0.000 2.179 76 E HA 0.624 4.974 4.350 -0.000 0.000 0.275 76 E C -1.387 175.192 176.600 -0.035 0.000 0.945 76 E CA -0.661 55.718 56.400 -0.035 0.000 0.792 76 E CB 1.714 31.389 29.700 -0.041 0.000 1.125 76 E HN 0.492 nan 8.360 nan 0.000 0.397 77 I N 3.567 124.112 120.570 -0.042 0.000 2.410 77 I HA 0.349 4.519 4.170 -0.000 0.000 0.286 77 I C 0.617 176.705 176.117 -0.048 0.000 1.009 77 I CA -0.834 60.443 61.300 -0.038 0.000 1.111 77 I CB 1.836 39.815 38.000 -0.035 0.000 1.262 77 I HN 0.567 nan 8.210 nan 0.000 0.443 78 G N 3.393 112.171 108.800 -0.037 0.000 2.606 78 G HA2 0.111 4.071 3.960 -0.000 0.000 0.252 78 G HA3 0.111 4.071 3.960 -0.000 0.000 0.252 78 G C -0.426 174.466 174.900 -0.013 0.000 1.206 78 G CA -0.247 44.831 45.100 -0.037 0.000 0.861 78 G HN 0.603 nan 8.290 nan 0.000 0.561 79 N N -0.870 117.835 118.700 0.009 0.000 2.511 79 N HA 0.171 4.911 4.740 -0.000 0.000 0.249 79 N C 1.456 177.061 175.510 0.158 0.000 0.971 79 N CA -0.016 53.083 53.050 0.080 0.000 0.938 79 N CB 1.316 39.869 38.487 0.110 0.000 1.131 79 N HN 0.392 nan 8.380 nan 0.000 0.505 80 T N 0.051 114.685 114.554 0.133 0.000 2.929 80 T HA -0.042 4.308 4.350 -0.000 0.000 0.271 80 T C 0.711 175.531 174.700 0.199 0.000 1.085 80 T CA 1.027 63.215 62.100 0.145 0.000 1.125 80 T CB -0.005 68.926 68.868 0.104 0.000 0.874 80 T HN 0.415 nan 8.240 nan 0.000 0.494 81 E N -0.196 120.155 120.200 0.252 0.000 2.476 81 E HA 0.039 4.389 4.350 -0.000 0.000 0.191 81 E C 1.365 178.224 176.600 0.432 0.000 1.064 81 E CA -0.289 56.303 56.400 0.319 0.000 0.866 81 E CB -0.369 29.565 29.700 0.390 0.000 0.952 81 E HN 0.748 nan 8.360 nan 0.000 0.492 82 W N 2.507 123.927 121.300 0.200 0.000 2.338 82 W HA -0.118 4.542 4.660 0.000 0.000 0.304 82 W C -1.230 175.388 176.519 0.164 0.000 1.212 82 W CA 1.079 58.543 57.345 0.198 0.000 1.264 82 W CB -0.811 28.719 29.460 0.116 0.000 1.142 82 W HN 0.070 nan 8.180 nan 0.000 0.512 83 P HA -0.196 nan 4.420 nan 0.000 0.217 83 P C 1.195 178.325 177.300 -0.283 0.000 1.148 83 P CA 2.333 65.292 63.100 -0.234 0.000 0.828 83 P CB -0.353 31.307 31.700 -0.066 0.000 0.783 84 K N -2.406 117.873 120.400 -0.203 0.000 2.288 84 K HA -0.081 4.239 4.320 -0.000 0.000 0.201 84 K C 1.240 177.465 176.600 -0.626 0.000 1.048 84 K CA 1.131 57.179 56.287 -0.397 0.000 0.956 84 K CB -0.271 31.971 32.500 -0.430 0.000 0.746 84 K HN 0.305 nan 8.250 nan 0.000 0.461 85 W N 1.366 122.474 121.300 -0.321 0.000 3.008 85 W HA 0.082 4.742 4.660 -0.000 0.000 0.355 85 W C 1.458 177.625 176.519 -0.588 0.000 1.095 85 W CA -0.415 56.747 57.345 -0.306 0.000 1.738 85 W CB 0.439 29.858 29.460 -0.068 0.000 1.091 85 W HN 0.141 nan 8.180 nan 0.000 0.574 86 E N -0.547 119.147 120.200 -0.844 0.000 2.338 86 E HA -0.127 4.223 4.350 -0.000 0.000 0.197 86 E C 1.245 177.573 176.600 -0.454 0.000 1.007 86 E CA 1.600 57.245 56.400 -1.258 0.000 0.849 86 E CB -0.252 28.629 29.700 -1.364 0.000 0.774 86 E HN 0.049 nan 8.360 nan 0.000 0.506 87 T N 0.199 114.585 114.554 -0.281 0.000 3.004 87 T HA 0.027 4.377 4.350 -0.000 0.000 0.243 87 T C 1.947 176.618 174.700 -0.047 0.000 1.020 87 T CA 0.673 62.695 62.100 -0.130 0.000 1.145 87 T CB -0.024 68.764 68.868 -0.133 0.000 0.876 87 T HN 0.015 nan 8.240 nan 0.000 0.449 88 V N 1.846 121.736 119.914 -0.040 0.000 2.392 88 V HA -0.071 4.049 4.120 -0.000 0.000 0.249 88 V C 1.849 178.032 176.094 0.148 0.000 1.059 88 V CA 1.308 63.644 62.300 0.061 0.000 1.051 88 V CB -0.391 31.494 31.823 0.103 0.000 0.658 88 V HN 0.448 nan 8.190 nan 0.000 0.455 89 M N -0.498 119.226 119.600 0.206 0.000 2.576 89 M HA 0.394 4.874 4.480 -0.000 0.000 0.322 89 M C 0.636 177.127 176.300 0.318 0.000 1.184 89 M CA -0.574 54.890 55.300 0.273 0.000 0.967 89 M CB -0.416 32.422 32.600 0.397 0.000 1.372 89 M HN 0.263 nan 8.290 nan 0.000 0.509 90 A N 0.476 123.420 122.820 0.205 0.000 2.540 90 A HA 0.405 4.725 4.320 -0.000 0.000 0.239 90 A C 1.491 179.185 177.584 0.185 0.000 1.061 90 A CA 0.778 52.951 52.037 0.227 0.000 0.758 90 A CB 0.279 19.345 19.000 0.110 0.000 0.991 90 A HN 0.588 nan 8.150 nan 0.000 0.502 91 A N 2.105 125.038 122.820 0.187 0.000 1.930 91 A HA 0.045 4.365 4.320 -0.000 0.000 0.217 91 A C 0.808 178.440 177.584 0.080 0.000 1.175 91 A CA 1.293 53.395 52.037 0.109 0.000 0.627 91 A CB -0.220 18.830 19.000 0.082 0.000 0.815 91 A HN 0.803 nan 8.150 nan 0.000 0.443 92 D N -0.388 120.062 120.400 0.083 0.000 2.332 92 D HA 0.483 5.123 4.640 -0.000 0.000 0.252 92 D C -2.540 173.791 176.300 0.051 0.000 1.050 92 D CA -1.531 52.505 54.000 0.059 0.000 0.970 92 D CB 0.251 41.084 40.800 0.055 0.000 1.141 92 D HN -0.019 nan 8.370 nan 0.000 0.485 93 P HA 0.083 nan 4.420 nan 0.000 0.267 93 P C -0.792 176.524 177.300 0.027 0.000 1.200 93 P CA -0.095 63.024 63.100 0.032 0.000 0.772 93 P CB 0.586 32.302 31.700 0.027 0.000 0.855 94 V N 2.538 122.465 119.914 0.021 0.000 2.656 94 V HA 0.184 4.304 4.120 -0.000 0.000 0.307 94 V C -0.534 175.564 176.094 0.007 0.000 1.051 94 V CA -0.941 61.365 62.300 0.011 0.000 0.893 94 V CB 1.832 33.658 31.823 0.005 0.000 0.999 94 V HN 0.607 nan 8.190 nan 0.000 0.426 95 D N 4.913 125.315 120.400 0.002 0.000 2.502 95 D HA -0.001 4.639 4.640 -0.000 0.000 0.249 95 D C -1.984 174.315 176.300 -0.001 0.000 1.188 95 D CA -1.506 52.494 54.000 0.001 0.000 0.890 95 D CB 0.644 41.443 40.800 -0.002 0.000 1.140 95 D HN 0.212 nan 8.370 nan 0.000 0.505 96 P HA -0.160 nan 4.420 nan 0.000 0.218 96 P C 1.243 178.540 177.300 -0.004 0.000 1.146 96 P CA 1.864 64.964 63.100 0.001 0.000 0.813 96 P CB 0.152 31.855 31.700 0.006 0.000 0.778 97 A N -0.155 122.662 122.820 -0.005 0.000 1.930 97 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 97 A C 2.344 179.920 177.584 -0.014 0.000 1.175 97 A CA 1.509 53.541 52.037 -0.008 0.000 0.627 97 A CB -1.129 17.867 19.000 -0.007 0.000 0.815 97 A HN 0.195 nan 8.150 nan 0.000 0.443 98 E N -0.025 120.166 120.200 -0.016 0.000 2.072 98 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 98 E C 1.907 178.490 176.600 -0.029 0.000 0.985 98 E CA 0.966 57.352 56.400 -0.023 0.000 0.801 98 E CB -0.199 29.487 29.700 -0.023 0.000 0.750 98 E HN 0.608 nan 8.360 nan 0.000 0.452 99 L N 0.483 121.693 121.223 -0.023 0.000 2.131 99 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 99 L C 2.629 179.484 176.870 -0.026 0.000 1.092 99 L CA 0.899 55.724 54.840 -0.026 0.000 0.759 99 L CB -0.421 41.630 42.059 -0.014 0.000 0.903 99 L HN 0.225 nan 8.230 nan 0.000 0.435 100 A N -0.541 122.267 122.820 -0.020 0.000 2.019 100 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 100 A C 1.551 179.119 177.584 -0.026 0.000 1.164 100 A CA 1.711 53.736 52.037 -0.019 0.000 0.644 100 A CB -0.326 18.666 19.000 -0.013 0.000 0.805 100 A HN 0.344 nan 8.150 nan 0.000 0.449 101 D N -0.737 119.644 120.400 -0.032 0.000 2.328 101 D HA 0.190 4.830 4.640 -0.000 0.000 0.221 101 D C -0.331 175.937 176.300 -0.053 0.000 1.072 101 D CA 0.270 54.246 54.000 -0.039 0.000 0.850 101 D CB 0.426 41.204 40.800 -0.037 0.000 0.922 101 D HN 0.132 nan 8.370 nan 0.000 0.516 102 V N 1.519 121.397 119.914 -0.059 0.000 2.311 102 V HA 0.338 4.458 4.120 -0.000 0.000 0.275 102 V C 1.335 177.379 176.094 -0.083 0.000 1.022 102 V CA -0.500 61.751 62.300 -0.083 0.000 0.830 102 V CB 1.159 32.926 31.823 -0.094 0.000 1.012 102 V HN 0.039 nan 8.190 nan 0.000 0.452 103 A N 4.876 127.641 122.820 -0.091 0.000 1.933 103 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 103 A C 2.180 179.707 177.584 -0.096 0.000 1.175 103 A CA 1.678 53.666 52.037 -0.082 0.000 0.628 103 A CB -0.377 18.574 19.000 -0.082 0.000 0.814 103 A HN 0.778 nan 8.150 nan 0.000 0.444 104 R N -0.475 119.936 120.500 -0.148 0.000 2.193 104 R HA -0.128 4.211 4.340 -0.000 0.000 0.229 104 R C 1.369 177.608 176.300 -0.101 0.000 1.110 104 R CA 1.460 57.443 56.100 -0.195 0.000 0.988 104 R CB -0.254 29.808 30.300 -0.395 0.000 0.871 104 R HN 0.557 nan 8.270 nan 0.000 0.458 105 N N -0.011 118.646 118.700 -0.071 0.000 2.398 105 N HA 0.081 4.821 4.740 -0.000 0.000 0.188 105 N C -0.658 174.850 175.510 -0.005 0.000 1.122 105 N CA 0.242 53.280 53.050 -0.019 0.000 0.866 105 N CB 0.388 38.859 38.487 -0.026 0.000 0.970 105 N HN 0.231 nan 8.380 nan 0.000 0.462 106 A N 1.540 124.352 122.820 -0.014 0.000 2.546 106 A HA 0.190 4.510 4.320 -0.000 0.000 0.243 106 A C -1.983 175.606 177.584 0.007 0.000 1.063 106 A CA -0.827 51.206 52.037 -0.006 0.000 0.757 106 A CB -0.254 18.739 19.000 -0.013 0.000 0.991 106 A HN 0.247 nan 8.150 nan 0.000 0.503 107 P HA 0.234 nan 4.420 nan 0.000 0.272 107 P C -0.921 176.389 177.300 0.016 0.000 1.223 107 P CA 0.083 63.191 63.100 0.013 0.000 0.784 107 P CB 0.521 32.232 31.700 0.017 0.000 0.923 108 L N 2.471 123.703 121.223 0.016 0.000 2.276 108 L HA 0.336 4.676 4.340 -0.000 0.000 0.286 108 L C 1.269 178.158 176.870 0.032 0.000 1.024 108 L CA -0.190 54.661 54.840 0.019 0.000 0.826 108 L CB 1.153 43.221 42.059 0.014 0.000 1.211 108 L HN 0.465 nan 8.230 nan 0.000 0.422 109 T N -1.378 113.199 114.554 0.038 0.000 3.091 109 T HA 0.244 4.594 4.350 -0.000 0.000 0.277 109 T C 0.656 175.394 174.700 0.063 0.000 0.996 109 T CA -0.426 61.706 62.100 0.054 0.000 0.897 109 T CB 0.056 68.953 68.868 0.048 0.000 1.109 109 T HN 0.422 nan 8.240 nan 0.000 0.534 110 R N 2.906 123.438 120.500 0.054 0.000 2.396 110 R HA 0.379 4.719 4.340 -0.000 0.000 0.292 110 R C -2.843 173.495 176.300 0.063 0.000 1.240 110 R CA -1.877 54.256 56.100 0.055 0.000 1.270 110 R CB 0.926 31.248 30.300 0.035 0.000 1.108 110 R HN 0.289 nan 8.270 nan 0.000 0.573 111 P HA 0.012 nan 4.420 nan 0.000 0.268 111 P C -0.652 176.702 177.300 0.090 0.000 1.205 111 P CA -0.103 63.068 63.100 0.118 0.000 0.771 111 P CB 0.781 32.608 31.700 0.212 0.000 0.858 112 R N 4.047 124.597 120.500 0.084 0.000 2.267 112 R HA 0.286 4.626 4.340 -0.000 0.000 0.319 112 R C -2.024 174.373 176.300 0.161 0.000 1.067 112 R CA -1.654 54.501 56.100 0.091 0.000 0.936 112 R CB -0.508 29.797 30.300 0.008 0.000 1.006 112 R HN 0.384 nan 8.270 nan 0.000 0.452 113 P HA -0.083 nan 4.420 nan 0.000 0.264 113 P C 0.708 178.093 177.300 0.142 0.000 1.183 113 P CA 1.030 64.186 63.100 0.093 0.000 0.763 113 P CB 0.669 32.398 31.700 0.049 0.000 0.807 114 G N 0.662 109.503 108.800 0.068 0.000 2.199 114 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.254 114 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.254 114 G C 0.263 175.052 174.900 -0.184 0.000 0.982 114 G CA -0.246 44.831 45.100 -0.039 0.000 0.632 114 G HN 0.659 nan 8.290 nan 0.000 0.529 115 H N -0.965 118.136 119.070 0.052 0.000 2.693 115 H HA 0.620 5.176 4.556 -0.000 0.000 0.348 115 H C 1.428 176.805 175.328 0.081 0.000 1.222 115 H CA -0.151 55.932 56.048 0.058 0.000 1.270 115 H CB 1.616 31.410 29.762 0.054 0.000 1.798 115 H HN 0.218 nan 8.280 nan 0.000 0.592 116 A N 0.633 123.577 122.820 0.207 0.000 2.121 116 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 116 A C 1.395 179.088 177.584 0.181 0.000 1.154 116 A CA 1.271 53.406 52.037 0.163 0.000 0.679 116 A CB -0.373 18.708 19.000 0.135 0.000 0.795 116 A HN 0.625 nan 8.150 nan 0.000 0.458 117 D N -0.828 119.689 120.400 0.194 0.000 2.127 117 D HA -0.250 4.390 4.640 -0.000 0.000 0.190 117 D C 1.630 178.049 176.300 0.197 0.000 1.000 117 D CA 2.032 56.134 54.000 0.170 0.000 0.839 117 D CB -0.694 40.195 40.800 0.149 0.000 0.955 117 D HN 0.646 nan 8.370 nan 0.000 0.446 118 Y N 1.349 121.708 120.300 0.099 0.000 2.089 118 Y HA -0.158 4.392 4.550 -0.000 0.000 0.282 118 Y C 2.357 178.312 175.900 0.092 0.000 1.139 118 Y CA 2.178 60.330 58.100 0.087 0.000 1.123 118 Y CB -0.608 37.894 38.460 0.069 0.000 0.980 118 Y HN -0.035 nan 8.280 nan 0.000 0.493 119 A N 0.209 123.092 122.820 0.104 0.000 1.933 119 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 119 A C 2.433 180.012 177.584 -0.009 0.000 1.175 119 A CA 1.730 53.749 52.037 -0.029 0.000 0.628 119 A CB -1.733 17.333 19.000 0.110 0.000 0.814 119 A HN 0.651 nan 8.150 nan 0.000 0.444 120 G N -0.705 108.161 108.800 0.109 0.000 2.402 120 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.216 120 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.216 120 G C 1.635 176.688 174.900 0.256 0.000 1.162 120 G CA 1.129 46.369 45.100 0.233 0.000 0.777 120 G HN 0.464 nan 8.290 nan 0.000 0.539 121 M N -0.406 119.296 119.600 0.171 0.000 2.080 121 M HA -0.023 4.457 4.480 -0.000 0.000 0.260 121 M C 2.458 178.763 176.300 0.008 0.000 1.068 121 M CA 1.066 56.468 55.300 0.170 0.000 1.109 121 M CB -0.352 32.315 32.600 0.111 0.000 1.342 121 M HN 0.154 nan 8.290 nan 0.000 0.405 122 L N 0.220 121.359 121.223 -0.140 0.000 2.027 122 L HA -0.173 4.167 4.340 -0.000 0.000 0.206 122 L C 2.421 179.193 176.870 -0.163 0.000 1.074 122 L CA 1.785 56.510 54.840 -0.191 0.000 0.745 122 L CB -0.842 41.016 42.059 -0.335 0.000 0.898 122 L HN 0.248 nan 8.230 nan 0.000 0.433 123 K N -1.169 119.139 120.400 -0.153 0.000 2.032 123 K HA -0.225 4.095 4.320 -0.000 0.000 0.209 123 K C 1.807 178.169 176.600 -0.397 0.000 1.048 123 K CA 1.873 58.008 56.287 -0.254 0.000 0.927 123 K CB -0.219 32.131 32.500 -0.251 0.000 0.712 123 K HN 0.269 nan 8.250 nan 0.000 0.441 124 Y N -0.456 119.661 120.300 -0.305 0.000 2.457 124 Y HA 0.215 4.765 4.550 -0.000 0.000 0.263 124 Y C 1.092 176.590 175.900 -0.670 0.000 1.164 124 Y CA 0.440 58.192 58.100 -0.580 0.000 1.274 124 Y CB 0.961 38.831 38.460 -0.984 0.000 1.097 124 Y HN 0.378 nan 8.280 nan 0.000 0.523 125 G N 0.293 108.921 108.800 -0.286 0.000 2.221 125 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.265 125 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.265 125 G C -0.312 174.535 174.900 -0.090 0.000 1.041 125 G CA -0.244 44.755 45.100 -0.169 0.000 0.807 125 G HN 0.147 nan 8.290 nan 0.000 0.502 126 F N 0.351 120.336 119.950 0.060 0.000 2.396 126 F HA 0.401 4.928 4.527 -0.000 0.000 0.343 126 F C 1.250 177.065 175.800 0.026 0.000 1.104 126 F CA -1.294 56.732 58.000 0.043 0.000 1.161 126 F CB 0.980 40.005 39.000 0.041 0.000 1.146 126 F HN -0.011 nan 8.300 nan 0.000 0.522 127 D N 0.198 120.734 120.400 0.227 0.000 2.349 127 D HA -0.038 4.602 4.640 -0.000 0.000 0.215 127 D C -0.122 176.239 176.300 0.101 0.000 1.016 127 D CA 0.828 54.904 54.000 0.128 0.000 0.870 127 D CB 0.149 41.005 40.800 0.092 0.000 0.917 127 D HN 0.404 nan 8.370 nan 0.000 0.524 128 D N -0.658 119.801 120.400 0.098 0.000 2.649 128 D HA 0.371 5.011 4.640 -0.000 0.000 0.249 128 D C 0.477 176.771 176.300 -0.010 0.000 1.112 128 D CA -0.762 53.252 54.000 0.024 0.000 0.850 128 D CB 1.874 42.662 40.800 -0.021 0.000 1.399 128 D HN -0.143 nan 8.370 nan 0.000 0.503 129 A N 3.945 126.767 122.820 0.003 0.000 2.119 129 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 129 A C 1.948 179.484 177.584 -0.080 0.000 1.153 129 A CA 1.235 53.270 52.037 -0.004 0.000 0.692 129 A CB -0.270 18.748 19.000 0.030 0.000 0.799 129 A HN 0.572 nan 8.150 nan 0.000 0.458 130 R N 1.055 121.496 120.500 -0.098 0.000 2.112 130 R HA -0.139 4.201 4.340 -0.000 0.000 0.242 130 R C -0.819 175.367 176.300 -0.190 0.000 1.137 130 R CA 2.598 58.636 56.100 -0.102 0.000 0.944 130 R CB -1.493 28.774 30.300 -0.056 0.000 0.857 130 R HN 0.435 nan 8.270 nan 0.000 0.435 131 P HA -0.117 nan 4.420 nan 0.000 0.219 131 P C 1.239 178.338 177.300 -0.334 0.000 1.146 131 P CA 1.138 63.957 63.100 -0.468 0.000 0.808 131 P CB -0.029 31.063 31.700 -1.013 0.000 0.779 132 V N 0.938 120.702 119.914 -0.251 0.000 2.255 132 V HA -0.210 3.910 4.120 -0.000 0.000 0.243 132 V C 2.727 178.791 176.094 -0.051 0.000 1.038 132 V CA 2.017 64.278 62.300 -0.065 0.000 1.008 132 V CB -1.546 30.312 31.823 0.059 0.000 0.645 132 V HN 0.039 nan 8.190 nan 0.000 0.449 133 L N -0.914 120.277 121.223 -0.052 0.000 2.201 133 L HA -0.017 4.323 4.340 -0.000 0.000 0.212 133 L C 2.166 178.982 176.870 -0.089 0.000 1.105 133 L CA 1.734 56.547 54.840 -0.045 0.000 0.775 133 L CB -1.180 40.852 42.059 -0.044 0.000 0.913 133 L HN 0.170 nan 8.230 nan 0.000 0.440 134 E N 0.679 120.808 120.200 -0.119 0.000 2.110 134 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 134 E C 2.293 178.807 176.600 -0.142 0.000 0.988 134 E CA 1.307 57.611 56.400 -0.160 0.000 0.804 134 E CB -0.105 29.508 29.700 -0.145 0.000 0.745 134 E HN 0.506 nan 8.360 nan 0.000 0.458 135 R N 0.579 121.015 120.500 -0.106 0.000 2.156 135 R HA 0.147 4.487 4.340 -0.000 0.000 0.207 135 R C 1.923 178.194 176.300 -0.048 0.000 1.040 135 R CA 1.186 57.239 56.100 -0.080 0.000 1.013 135 R CB -0.430 29.824 30.300 -0.076 0.000 0.931 135 R HN 0.062 nan 8.270 nan 0.000 0.465 136 A N 0.088 122.892 122.820 -0.028 0.000 2.015 136 A HA 0.024 4.344 4.320 -0.000 0.000 0.219 136 A C 1.138 178.726 177.584 0.007 0.000 1.163 136 A CA 0.836 52.879 52.037 0.010 0.000 0.646 136 A CB -0.651 18.378 19.000 0.048 0.000 0.806 136 A HN 0.384 nan 8.150 nan 0.000 0.448 137 S N -0.315 115.369 115.700 -0.027 0.000 2.561 137 S HA 0.213 4.683 4.470 -0.000 0.000 0.294 137 S C 1.230 175.812 174.600 -0.031 0.000 1.294 137 S CA 0.165 58.343 58.200 -0.038 0.000 1.055 137 S CB 0.649 63.778 63.200 -0.118 0.000 0.819 137 S HN 0.977 nan 8.310 nan 0.000 0.503 138 A N 4.523 127.337 122.820 -0.011 0.000 2.248 138 A HA 0.006 4.326 4.320 -0.000 0.000 0.210 138 A C 1.980 179.546 177.584 -0.030 0.000 1.174 138 A CA 1.308 53.338 52.037 -0.010 0.000 0.750 138 A CB -0.519 18.485 19.000 0.006 0.000 0.780 138 A HN 0.922 nan 8.150 nan 0.000 0.478 139 R N 0.905 121.370 120.500 -0.059 0.000 2.139 139 R HA -0.176 4.164 4.340 -0.000 0.000 0.243 139 R C 1.924 178.187 176.300 -0.060 0.000 1.145 139 R CA 1.853 57.909 56.100 -0.074 0.000 0.976 139 R CB -0.427 29.795 30.300 -0.131 0.000 0.866 139 R HN 0.574 nan 8.270 nan 0.000 0.449 140 E N -0.044 120.123 120.200 -0.055 0.000 2.209 140 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 140 E C 1.250 177.837 176.600 -0.022 0.000 0.993 140 E CA 1.782 58.159 56.400 -0.038 0.000 0.819 140 E CB -0.159 29.524 29.700 -0.027 0.000 0.745 140 E HN 0.598 nan 8.360 nan 0.000 0.477 141 T N -2.041 112.501 114.554 -0.020 0.000 2.977 141 T HA 0.054 4.404 4.350 -0.000 0.000 0.271 141 T C 1.937 176.624 174.700 -0.022 0.000 1.105 141 T CA 1.146 63.237 62.100 -0.016 0.000 1.116 141 T CB -0.229 68.631 68.868 -0.013 0.000 0.878 141 T HN 0.199 nan 8.240 nan 0.000 0.509 142 A N 1.883 124.687 122.820 -0.026 0.000 1.908 142 A HA 0.268 4.588 4.320 -0.000 0.000 0.218 142 A C 2.864 180.433 177.584 -0.026 0.000 1.181 142 A CA 1.906 53.927 52.037 -0.027 0.000 0.627 142 A CB -1.459 17.523 19.000 -0.031 0.000 0.818 142 A HN 0.789 nan 8.150 nan 0.000 0.445 143 A N -0.259 122.547 122.820 -0.024 0.000 1.933 143 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 143 A C 2.222 179.799 177.584 -0.013 0.000 1.175 143 A CA 1.506 53.534 52.037 -0.016 0.000 0.628 143 A CB -0.467 18.526 19.000 -0.012 0.000 0.814 143 A HN 0.571 nan 8.150 nan 0.000 0.444 144 R N -0.683 119.808 120.500 -0.016 0.000 2.083 144 R HA -0.116 4.224 4.340 -0.000 0.000 0.237 144 R C 1.997 178.257 176.300 -0.066 0.000 1.137 144 R CA 1.603 57.680 56.100 -0.038 0.000 0.951 144 R CB -0.719 29.559 30.300 -0.038 0.000 0.851 144 R HN 0.375 nan 8.270 nan 0.000 0.434 145 V N 1.142 121.026 119.914 -0.050 0.000 2.407 145 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 145 V C 2.448 178.515 176.094 -0.044 0.000 1.055 145 V CA 1.879 64.149 62.300 -0.050 0.000 1.049 145 V CB -0.727 31.075 31.823 -0.035 0.000 0.662 145 V HN 0.434 nan 8.190 nan 0.000 0.455 146 A N 0.163 122.963 122.820 -0.033 0.000 1.877 146 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 146 A C 2.465 180.034 177.584 -0.025 0.000 1.186 146 A CA 2.206 54.228 52.037 -0.024 0.000 0.620 146 A CB -0.880 18.110 19.000 -0.017 0.000 0.822 146 A HN 0.569 nan 8.150 nan 0.000 0.443 147 A N -0.534 122.268 122.820 -0.031 0.000 1.883 147 A HA 0.085 4.405 4.320 -0.000 0.000 0.217 147 A C 2.440 179.972 177.584 -0.086 0.000 1.186 147 A CA 2.014 54.029 52.037 -0.036 0.000 0.624 147 A CB -1.486 17.501 19.000 -0.021 0.000 0.822 147 A HN 0.841 nan 8.150 nan 0.000 0.444 148 G N -1.237 107.486 108.800 -0.128 0.000 2.462 148 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.220 148 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.220 148 G C 1.480 176.334 174.900 -0.076 0.000 1.121 148 G CA 1.620 46.632 45.100 -0.147 0.000 0.758 148 G HN 0.451 nan 8.290 nan 0.000 0.559 149 T N 0.851 115.379 114.554 -0.044 0.000 2.788 149 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 149 T C 2.554 177.259 174.700 0.007 0.000 1.044 149 T CA 1.169 63.260 62.100 -0.015 0.000 1.139 149 T CB -0.188 68.675 68.868 -0.009 0.000 0.867 149 T HN 0.105 nan 8.240 nan 0.000 0.454 150 V N 1.800 121.718 119.914 0.007 0.000 2.295 150 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 150 V C 2.924 179.055 176.094 0.062 0.000 1.049 150 V CA 1.700 64.021 62.300 0.035 0.000 1.024 150 V CB -1.279 30.560 31.823 0.027 0.000 0.648 150 V HN 0.531 nan 8.190 nan 0.000 0.447 151 A N -0.250 122.582 122.820 0.019 0.000 1.902 151 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 151 A C 2.407 180.054 177.584 0.106 0.000 1.181 151 A CA 1.915 53.981 52.037 0.048 0.000 0.623 151 A CB -0.540 18.418 19.000 -0.070 0.000 0.818 151 A HN 0.474 nan 8.150 nan 0.000 0.443 152 R N -0.749 119.775 120.500 0.040 0.000 2.091 152 R HA -0.129 4.211 4.340 -0.000 0.000 0.238 152 R C 2.524 178.849 176.300 0.042 0.000 1.136 152 R CA 1.279 57.398 56.100 0.032 0.000 0.959 152 R CB -0.463 29.840 30.300 0.005 0.000 0.856 152 R HN 0.536 nan 8.270 nan 0.000 0.437 153 A N 0.762 123.617 122.820 0.058 0.000 1.877 153 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 153 A C 1.961 179.578 177.584 0.056 0.000 1.186 153 A CA 1.306 53.375 52.037 0.053 0.000 0.620 153 A CB -0.734 18.308 19.000 0.071 0.000 0.822 153 A HN 0.408 nan 8.150 nan 0.000 0.443 154 F N 0.671 120.613 119.950 -0.013 0.000 2.095 154 F HA -0.189 4.338 4.527 0.000 0.000 0.298 154 F C 1.903 177.694 175.800 -0.016 0.000 1.104 154 F CA 1.932 59.923 58.000 -0.014 0.000 1.232 154 F CB -0.362 38.640 39.000 0.003 0.000 0.987 154 F HN 0.149 nan 8.300 nan 0.000 0.475 155 L N -0.040 121.141 121.223 -0.069 0.000 2.046 155 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 155 L C 2.774 179.525 176.870 -0.200 0.000 1.077 155 L CA 1.718 56.463 54.840 -0.158 0.000 0.747 155 L CB -0.704 41.366 42.059 0.019 0.000 0.896 155 L HN 0.131 nan 8.230 nan 0.000 0.432 156 R N -0.004 120.420 120.500 -0.127 0.000 2.073 156 R HA -0.187 4.153 4.340 -0.000 0.000 0.234 156 R C 2.305 178.510 176.300 -0.159 0.000 1.134 156 R CA 1.654 57.688 56.100 -0.111 0.000 0.952 156 R CB -0.073 30.189 30.300 -0.062 0.000 0.850 156 R HN 0.418 nan 8.270 nan 0.000 0.433 157 Q N -0.771 118.912 119.800 -0.196 0.000 2.123 157 Q HA -0.023 4.317 4.340 -0.000 0.000 0.199 157 Q C 1.977 177.809 176.000 -0.281 0.000 0.966 157 Q CA 1.416 57.092 55.803 -0.212 0.000 0.845 157 Q CB 0.111 28.728 28.738 -0.202 0.000 0.907 157 Q HN 0.411 nan 8.270 nan 0.000 0.439 158 A N 0.041 122.586 122.820 -0.458 0.000 1.903 158 A HA 0.034 4.354 4.320 -0.000 0.000 0.213 158 A C 1.683 179.046 177.584 -0.369 0.000 1.185 158 A CA 0.835 52.569 52.037 -0.505 0.000 0.628 158 A CB 0.078 18.476 19.000 -1.005 0.000 0.830 158 A HN 0.277 nan 8.150 nan 0.000 0.446 159 L N -2.023 119.004 121.223 -0.327 0.000 2.920 159 L HA 0.308 4.647 4.340 -0.000 0.000 0.257 159 L C 1.366 178.158 176.870 -0.130 0.000 1.150 159 L CA 0.420 55.137 54.840 -0.206 0.000 0.959 159 L CB 0.553 42.521 42.059 -0.150 0.000 1.321 159 L HN 0.513 nan 8.230 nan 0.000 0.555 160 G N 1.342 110.063 108.800 -0.132 0.000 2.198 160 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.260 160 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.260 160 G C 0.096 174.960 174.900 -0.061 0.000 1.025 160 G CA 0.272 45.320 45.100 -0.086 0.000 0.769 160 G HN 0.120 nan 8.290 nan 0.000 0.507 161 V N 0.633 120.508 119.914 -0.064 0.000 2.509 161 V HA 0.529 4.649 4.120 -0.000 0.000 0.284 161 V C 0.197 176.274 176.094 -0.029 0.000 1.047 161 V CA -0.540 61.740 62.300 -0.033 0.000 0.952 161 V CB 1.723 33.536 31.823 -0.017 0.000 0.988 161 V HN 0.333 nan 8.190 nan 0.000 0.469 162 E N 3.115 123.303 120.200 -0.020 0.000 2.212 162 E HA 0.581 4.931 4.350 -0.000 0.000 0.268 162 E C -1.318 175.276 176.600 -0.011 0.000 0.902 162 E CA -0.536 55.853 56.400 -0.018 0.000 0.779 162 E CB 2.561 32.247 29.700 -0.024 0.000 1.172 162 E HN 0.362 nan 8.360 nan 0.000 0.409 163 V N 3.988 123.896 119.914 -0.010 0.000 2.540 163 V HA 0.559 4.679 4.120 -0.000 0.000 0.302 163 V C 0.137 176.227 176.094 -0.007 0.000 1.035 163 V CA -0.675 61.622 62.300 -0.005 0.000 0.873 163 V CB 1.299 33.119 31.823 -0.004 0.000 0.992 163 V HN 0.560 nan 8.190 nan 0.000 0.428 164 L N 2.609 123.831 121.223 -0.002 0.000 2.357 164 L HA 1.091 5.431 4.340 -0.000 0.000 0.244 164 L C -0.456 176.434 176.870 0.034 0.000 1.115 164 L CA -0.605 54.236 54.840 0.002 0.000 0.919 164 L CB 2.367 44.411 42.059 -0.025 0.000 1.532 164 L HN 0.661 nan 8.230 nan 0.000 0.416 165 S N -1.562 114.172 115.700 0.057 0.000 2.579 165 S HA 0.793 5.263 4.470 -0.000 0.000 0.272 165 S C -1.218 173.495 174.600 0.188 0.000 1.141 165 S CA -0.490 57.778 58.200 0.113 0.000 0.843 165 S CB 1.470 64.704 63.200 0.057 0.000 1.122 165 S HN 1.251 nan 8.310 nan 0.000 0.468 166 H N -1.811 117.271 119.070 0.021 0.000 3.016 166 H HA 0.792 5.348 4.556 0.000 0.000 0.362 166 H C -1.553 173.818 175.328 0.072 0.000 1.233 166 H CA -1.427 54.649 56.048 0.046 0.000 1.124 166 H CB 1.124 30.922 29.762 0.061 0.000 1.850 166 H HN 0.516 nan 8.280 nan 0.000 0.549 167 V N 3.050 122.964 119.914 -0.000 0.000 2.432 167 V HA 0.024 4.144 4.120 -0.000 0.000 0.275 167 V C 0.745 176.816 176.094 -0.037 0.000 1.043 167 V CA -0.508 61.766 62.300 -0.043 0.000 0.925 167 V CB 0.879 32.714 31.823 0.020 0.000 0.985 167 V HN 0.736 nan 8.190 nan 0.000 0.466 168 I N 2.963 123.497 120.570 -0.061 0.000 2.494 168 I HA 0.083 4.253 4.170 -0.000 0.000 0.250 168 I C 1.014 177.171 176.117 0.065 0.000 1.112 168 I CA 1.091 62.406 61.300 0.026 0.000 1.438 168 I CB -0.085 37.905 38.000 -0.018 0.000 1.111 168 I HN 0.797 nan 8.210 nan 0.000 0.431 169 S N 0.060 115.778 115.700 0.031 0.000 2.547 169 S HA 0.704 5.174 4.470 -0.000 0.000 0.270 169 S C -0.994 173.619 174.600 0.023 0.000 1.150 169 S CA -0.734 57.486 58.200 0.033 0.000 0.850 169 S CB 2.304 65.520 63.200 0.026 0.000 1.118 169 S HN 0.023 nan 8.310 nan 0.000 0.461 170 I N 2.112 122.698 120.570 0.027 0.000 2.533 170 I HA 0.616 4.786 4.170 -0.000 0.000 0.290 170 I C 1.077 177.207 176.117 0.021 0.000 1.056 170 I CA 0.101 61.416 61.300 0.024 0.000 1.057 170 I CB 1.611 39.633 38.000 0.036 0.000 1.240 170 I HN 1.259 nan 8.210 nan 0.000 0.423 171 G N 4.519 113.326 108.800 0.013 0.000 2.634 171 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.309 171 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.309 171 G C 0.724 175.629 174.900 0.008 0.000 1.265 171 G CA 0.527 45.632 45.100 0.009 0.000 0.998 171 G HN 1.006 nan 8.290 nan 0.000 0.551 172 A N 0.283 123.109 122.820 0.010 0.000 2.359 172 A HA 0.611 4.931 4.320 -0.000 0.000 0.240 172 A C 1.458 179.051 177.584 0.015 0.000 1.306 172 A CA 1.458 53.501 52.037 0.009 0.000 0.898 172 A CB -0.877 18.128 19.000 0.008 0.000 0.956 172 A HN 2.204 nan 8.150 nan 0.000 0.497 173 S N -0.013 115.699 115.700 0.021 0.000 2.573 173 S HA 0.461 4.931 4.470 -0.000 0.000 0.277 173 S C 0.459 175.078 174.600 0.030 0.000 1.346 173 S CA -0.060 58.157 58.200 0.028 0.000 1.034 173 S CB 0.834 64.056 63.200 0.035 0.000 0.879 173 S HN 1.143 nan 8.310 nan 0.000 0.528 174 A N 3.393 126.234 122.820 0.035 0.000 2.444 174 A HA 0.518 4.837 4.320 -0.000 0.000 0.273 174 A C -2.162 175.458 177.584 0.061 0.000 1.136 174 A CA -1.433 50.628 52.037 0.040 0.000 0.799 174 A CB -0.900 18.123 19.000 0.039 0.000 1.081 174 A HN 0.730 nan 8.150 nan 0.000 0.509 175 P HA 0.008 nan 4.420 nan 0.000 0.266 175 P C -0.618 176.754 177.300 0.120 0.000 1.195 175 P CA 0.237 63.381 63.100 0.073 0.000 0.768 175 P CB 0.155 31.877 31.700 0.036 0.000 0.838 176 Y N 2.664 122.989 120.300 0.042 0.000 2.480 176 Y HA 0.058 4.608 4.550 -0.000 0.000 0.341 176 Y C 0.970 176.919 175.900 0.082 0.000 1.031 176 Y CA 0.273 58.415 58.100 0.068 0.000 1.295 176 Y CB 0.317 38.844 38.460 0.113 0.000 1.162 176 Y HN 0.476 nan 8.280 nan 0.000 0.523 177 E N 3.367 123.292 120.200 -0.457 0.000 2.498 177 E HA 0.191 4.541 4.350 -0.000 0.000 0.203 177 E C 1.031 177.307 176.600 -0.539 0.000 1.013 177 E CA 0.076 56.247 56.400 -0.381 0.000 0.927 177 E CB 0.494 30.097 29.700 -0.161 0.000 1.012 177 E HN 0.853 nan 8.360 nan 0.000 0.482 178 G N 2.922 111.067 108.800 -1.092 0.000 2.570 178 G HA2 0.183 4.142 3.960 -0.000 0.000 0.276 178 G HA3 0.183 4.142 3.960 -0.000 0.000 0.276 178 G C -2.191 172.559 174.900 -0.250 0.000 1.346 178 G CA -0.897 43.876 45.100 -0.547 0.000 1.034 178 G HN -0.086 nan 8.290 nan 0.000 0.512 179 P HA 0.203 nan 4.420 nan 0.000 0.269 179 P C -2.414 175.047 177.300 0.269 0.000 1.215 179 P CA -0.892 62.295 63.100 0.145 0.000 0.780 179 P CB 0.496 32.291 31.700 0.158 0.000 0.898 180 P HA 0.251 nan 4.420 nan 0.000 0.274 180 P C -2.417 174.716 177.300 -0.280 0.000 1.246 180 P CA -1.725 61.345 63.100 -0.050 0.000 0.795 180 P CB -0.791 30.907 31.700 -0.003 0.000 1.006 181 P HA 0.221 nan 4.420 nan 0.000 0.274 181 P C -0.217 176.835 177.300 -0.414 0.000 1.246 181 P CA -0.110 62.395 63.100 -0.991 0.000 0.795 181 P CB 0.725 31.688 31.700 -1.229 0.000 1.006 182 R N 0.201 120.526 120.500 -0.290 0.000 2.700 182 R HA 0.506 4.846 4.340 -0.000 0.000 0.253 182 R C 1.527 177.748 176.300 -0.132 0.000 1.091 182 R CA -0.837 55.175 56.100 -0.147 0.000 1.104 182 R CB -0.540 29.715 30.300 -0.074 0.000 1.202 182 R HN 0.487 nan 8.270 nan 0.000 0.532 183 A N 0.897 123.669 122.820 -0.079 0.000 1.940 183 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 183 A C 1.700 179.254 177.584 -0.051 0.000 1.176 183 A CA 2.105 54.106 52.037 -0.060 0.000 0.631 183 A CB -0.621 18.356 19.000 -0.039 0.000 0.814 183 A HN 0.814 nan 8.150 nan 0.000 0.446 184 E N -0.503 119.672 120.200 -0.041 0.000 2.409 184 E HA -0.166 4.184 4.350 -0.000 0.000 0.198 184 E C 0.374 176.964 176.600 -0.017 0.000 1.024 184 E CA 1.097 57.484 56.400 -0.022 0.000 0.861 184 E CB -0.283 29.412 29.700 -0.009 0.000 0.788 184 E HN 0.526 nan 8.360 nan 0.000 0.521 185 D N 0.572 120.945 120.400 -0.045 0.000 2.349 185 D HA -0.026 4.614 4.640 -0.000 0.000 0.215 185 D C 1.686 177.967 176.300 -0.031 0.000 1.016 185 D CA 0.106 54.089 54.000 -0.029 0.000 0.870 185 D CB 0.258 40.980 40.800 -0.130 0.000 0.917 185 D HN 0.199 nan 8.370 nan 0.000 0.524 186 L N 1.502 122.700 121.223 -0.042 0.000 2.046 186 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 186 L C -0.937 175.933 176.870 -0.000 0.000 1.077 186 L CA 1.875 56.699 54.840 -0.026 0.000 0.747 186 L CB -1.193 40.850 42.059 -0.026 0.000 0.896 186 L HN -0.089 nan 8.230 nan 0.000 0.432 187 P HA -0.184 nan 4.420 nan 0.000 0.215 187 P C 1.566 178.877 177.300 0.019 0.000 1.157 187 P CA 2.126 65.232 63.100 0.011 0.000 0.874 187 P CB -0.186 31.519 31.700 0.009 0.000 0.790 188 A N -0.972 121.865 122.820 0.028 0.000 1.902 188 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 188 A C 2.228 179.838 177.584 0.044 0.000 1.181 188 A CA 1.419 53.478 52.037 0.037 0.000 0.623 188 A CB -1.605 17.427 19.000 0.053 0.000 0.818 188 A HN 0.106 nan 8.150 nan 0.000 0.443 189 I N -0.166 120.437 120.570 0.055 0.000 2.179 189 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 189 I C 1.683 177.827 176.117 0.045 0.000 1.088 189 I CA 1.568 62.905 61.300 0.063 0.000 1.357 189 I CB -0.380 37.654 38.000 0.057 0.000 1.051 189 I HN 0.199 nan 8.210 nan 0.000 0.409 190 D N 0.755 121.175 120.400 0.033 0.000 2.310 190 D HA -0.070 4.570 4.640 -0.000 0.000 0.212 190 D C 2.020 178.337 176.300 0.028 0.000 0.965 190 D CA 1.057 55.075 54.000 0.029 0.000 0.879 190 D CB 0.007 40.819 40.800 0.021 0.000 0.921 190 D HN 0.340 nan 8.370 nan 0.000 0.510 191 A N -0.056 122.779 122.820 0.025 0.000 2.169 191 A HA 0.032 4.352 4.320 -0.000 0.000 0.212 191 A C 1.370 178.963 177.584 0.015 0.000 1.153 191 A CA 0.090 52.138 52.037 0.019 0.000 0.756 191 A CB -0.008 19.000 19.000 0.014 0.000 0.813 191 A HN 0.136 nan 8.150 nan 0.000 0.471 192 S N 0.242 115.953 115.700 0.020 0.000 2.528 192 S HA 0.310 4.780 4.470 -0.000 0.000 0.277 192 S C -1.478 173.133 174.600 0.019 0.000 1.297 192 S CA -1.228 56.979 58.200 0.011 0.000 1.052 192 S CB 0.816 64.028 63.200 0.019 0.000 0.917 192 S HN 0.127 nan 8.310 nan 0.000 0.492 193 P HA -0.080 nan 4.420 nan 0.000 0.221 193 P C 0.766 178.109 177.300 0.072 0.000 1.145 193 P CA 0.935 64.047 63.100 0.021 0.000 0.795 193 P CB -0.053 31.594 31.700 -0.089 0.000 0.775 194 V N -5.948 113.996 119.914 0.051 0.000 3.276 194 V HA 0.368 4.488 4.120 -0.000 0.000 0.319 194 V C 0.455 176.584 176.094 0.058 0.000 1.427 194 V CA -0.580 61.760 62.300 0.067 0.000 1.102 194 V CB -0.918 30.943 31.823 0.063 0.000 1.020 194 V HN -0.065 nan 8.190 nan 0.000 0.456 195 R N 0.318 120.850 120.500 0.055 0.000 3.333 195 R HA -0.164 4.176 4.340 -0.000 0.000 0.256 195 R C 0.475 176.828 176.300 0.089 0.000 1.010 195 R CA 0.716 56.855 56.100 0.065 0.000 0.680 195 R CB -1.770 28.567 30.300 0.062 0.000 1.102 195 R HN 0.935 nan 8.270 nan 0.000 0.440 196 A N -0.006 122.857 122.820 0.073 0.000 2.293 196 A HA 0.380 4.700 4.320 -0.000 0.000 0.302 196 A C 0.243 177.888 177.584 0.101 0.000 1.119 196 A CA -0.428 51.657 52.037 0.080 0.000 0.823 196 A CB 0.458 19.467 19.000 0.014 0.000 1.097 196 A HN 0.383 nan 8.150 nan 0.000 0.491 197 Y N 0.452 120.702 120.300 -0.084 0.000 2.497 197 Y HA 0.200 4.750 4.550 -0.000 0.000 0.265 197 Y C 0.157 175.862 175.900 -0.324 0.000 1.111 197 Y CA 0.351 58.335 58.100 -0.194 0.000 1.288 197 Y CB 0.149 38.458 38.460 -0.252 0.000 1.082 197 Y HN 0.701 nan 8.280 nan 0.000 0.536 198 D N -0.268 119.832 120.400 -0.501 0.000 2.278 198 D HA 0.222 4.862 4.640 -0.000 0.000 0.245 198 D C 0.702 176.847 176.300 -0.258 0.000 1.052 198 D CA -0.341 53.326 54.000 -0.555 0.000 0.834 198 D CB 1.240 41.548 40.800 -0.819 0.000 1.194 198 D HN -0.254 nan 8.370 nan 0.000 0.481 199 K N 2.527 122.810 120.400 -0.195 0.000 2.097 199 K HA -0.029 4.291 4.320 -0.000 0.000 0.205 199 K C 1.691 178.248 176.600 -0.073 0.000 1.050 199 K CA 0.975 57.194 56.287 -0.112 0.000 0.938 199 K CB -0.478 31.964 32.500 -0.096 0.000 0.718 199 K HN 0.508 nan 8.250 nan 0.000 0.442 200 A N 1.626 124.410 122.820 -0.060 0.000 1.877 200 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 200 A C 2.442 180.021 177.584 -0.008 0.000 1.186 200 A CA 2.126 54.150 52.037 -0.022 0.000 0.620 200 A CB -0.662 18.339 19.000 0.001 0.000 0.822 200 A HN 0.286 nan 8.150 nan 0.000 0.443 201 A N -0.405 122.411 122.820 -0.007 0.000 1.933 201 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 201 A C 2.030 179.616 177.584 0.004 0.000 1.175 201 A CA 1.808 53.858 52.037 0.022 0.000 0.628 201 A CB -0.569 18.464 19.000 0.055 0.000 0.814 201 A HN 0.695 nan 8.150 nan 0.000 0.444 202 E N 0.036 120.220 120.200 -0.026 0.000 2.038 202 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 202 E C 2.146 178.735 176.600 -0.018 0.000 1.000 202 E CA 1.305 57.692 56.400 -0.022 0.000 0.803 202 E CB -0.294 29.381 29.700 -0.041 0.000 0.750 202 E HN 0.525 nan 8.360 nan 0.000 0.448 203 A N 1.114 123.919 122.820 -0.024 0.000 1.902 203 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 203 A C 2.023 179.604 177.584 -0.005 0.000 1.181 203 A CA 1.865 53.890 52.037 -0.021 0.000 0.623 203 A CB -0.675 18.312 19.000 -0.022 0.000 0.818 203 A HN 0.417 nan 8.150 nan 0.000 0.443 204 D N -0.351 120.052 120.400 0.006 0.000 2.097 204 D HA -0.150 4.490 4.640 -0.000 0.000 0.195 204 D C 2.041 178.356 176.300 0.026 0.000 0.989 204 D CA 1.642 55.653 54.000 0.017 0.000 0.827 204 D CB -0.280 40.534 40.800 0.024 0.000 0.966 204 D HN 0.463 nan 8.370 nan 0.000 0.456 205 M N -0.252 119.366 119.600 0.029 0.000 2.117 205 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 205 M C 2.471 178.808 176.300 0.060 0.000 1.065 205 M CA 0.982 56.308 55.300 0.043 0.000 1.114 205 M CB -0.208 32.419 32.600 0.045 0.000 1.361 205 M HN 0.065 nan 8.290 nan 0.000 0.408 206 I N 0.243 120.838 120.570 0.042 0.000 2.208 206 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 206 I C 2.726 178.888 176.117 0.075 0.000 1.097 206 I CA 1.296 62.624 61.300 0.047 0.000 1.363 206 I CB -0.576 37.383 38.000 -0.067 0.000 1.051 206 I HN 0.264 nan 8.210 nan 0.000 0.413 207 A N 0.020 122.865 122.820 0.041 0.000 1.908 207 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 207 A C 2.290 179.906 177.584 0.054 0.000 1.181 207 A CA 1.447 53.510 52.037 0.043 0.000 0.627 207 A CB -0.503 18.511 19.000 0.024 0.000 0.818 207 A HN 0.406 nan 8.150 nan 0.000 0.445 208 Q N -0.400 119.431 119.800 0.051 0.000 2.050 208 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 208 Q C 2.179 178.212 176.000 0.055 0.000 0.980 208 Q CA 1.550 57.380 55.803 0.045 0.000 0.840 208 Q CB -0.395 28.366 28.738 0.038 0.000 0.898 208 Q HN 0.788 nan 8.270 nan 0.000 0.424 209 I N 0.708 121.331 120.570 0.088 0.000 2.226 209 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 209 I C 2.155 178.324 176.117 0.088 0.000 1.100 209 I CA 1.133 62.487 61.300 0.090 0.000 1.374 209 I CB -0.219 37.882 38.000 0.168 0.000 1.057 209 I HN 0.231 nan 8.210 nan 0.000 0.413 210 E N 0.868 121.157 120.200 0.149 0.000 2.077 210 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 210 E C 2.334 178.969 176.600 0.059 0.000 0.989 210 E CA 1.355 57.831 56.400 0.126 0.000 0.800 210 E CB -0.195 29.586 29.700 0.135 0.000 0.746 210 E HN 0.525 nan 8.360 nan 0.000 0.452 211 A N 1.326 124.174 122.820 0.046 0.000 1.898 211 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 211 A C 2.370 179.962 177.584 0.014 0.000 1.181 211 A CA 1.580 53.632 52.037 0.026 0.000 0.620 211 A CB -0.589 18.425 19.000 0.023 0.000 0.819 211 A HN 0.293 nan 8.150 nan 0.000 0.442 212 A N -0.114 122.712 122.820 0.011 0.000 1.902 212 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 212 A C 2.135 179.709 177.584 -0.017 0.000 1.181 212 A CA 1.975 54.010 52.037 -0.004 0.000 0.623 212 A CB -0.459 18.538 19.000 -0.006 0.000 0.818 212 A HN 0.562 nan 8.150 nan 0.000 0.443 213 K N 0.084 120.472 120.400 -0.022 0.000 2.026 213 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 213 K C 2.176 178.762 176.600 -0.023 0.000 1.048 213 K CA 1.889 58.152 56.287 -0.040 0.000 0.929 213 K CB -0.231 32.234 32.500 -0.058 0.000 0.713 213 K HN 0.433 nan 8.250 nan 0.000 0.439 214 K N 0.352 120.748 120.400 -0.005 0.000 2.063 214 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 214 K C 0.951 177.547 176.600 -0.006 0.000 1.048 214 K CA 2.114 58.401 56.287 -0.001 0.000 0.928 214 K CB -0.014 32.492 32.500 0.009 0.000 0.713 214 K HN 0.157 nan 8.250 nan 0.000 0.442 215 D N -0.602 119.794 120.400 -0.007 0.000 2.349 215 D HA 0.058 4.698 4.640 -0.000 0.000 0.224 215 D C 0.674 176.964 176.300 -0.017 0.000 1.029 215 D CA 0.991 54.986 54.000 -0.009 0.000 0.879 215 D CB 0.365 41.162 40.800 -0.006 0.000 0.906 215 D HN 0.520 nan 8.370 nan 0.000 0.528 216 G N 1.205 109.989 108.800 -0.026 0.000 2.198 216 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.257 216 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.257 216 G C -0.001 174.872 174.900 -0.045 0.000 1.042 216 G CA 0.272 45.347 45.100 -0.041 0.000 0.791 216 G HN 0.298 nan 8.290 nan 0.000 0.502 217 D N -0.571 119.807 120.400 -0.036 0.000 2.592 217 D HA 0.806 5.446 4.640 -0.000 0.000 0.259 217 D C 0.785 177.065 176.300 -0.034 0.000 1.144 217 D CA 0.681 54.663 54.000 -0.030 0.000 1.080 217 D CB 1.788 42.578 40.800 -0.017 0.000 1.225 217 D HN 0.434 nan 8.370 nan 0.000 0.619 218 T N -1.617 112.924 114.554 -0.022 0.000 2.901 218 T HA 0.758 5.108 4.350 -0.000 0.000 0.293 218 T C -0.486 174.208 174.700 -0.010 0.000 1.084 218 T CA -0.790 61.299 62.100 -0.019 0.000 1.008 218 T CB 1.164 70.025 68.868 -0.012 0.000 1.170 218 T HN 0.262 nan 8.240 nan 0.000 0.509 219 L N 0.351 121.570 121.223 -0.008 0.000 2.393 219 L HA 0.810 5.150 4.340 -0.000 0.000 0.260 219 L C 0.627 177.496 176.870 -0.001 0.000 1.002 219 L CA -1.071 53.768 54.840 -0.003 0.000 0.818 219 L CB 2.369 44.430 42.059 0.002 0.000 1.369 219 L HN 1.041 nan 8.230 nan 0.000 0.412 220 G N -0.469 108.329 108.800 -0.003 0.000 2.971 220 G HA2 0.880 4.840 3.960 -0.000 0.000 0.235 220 G HA3 0.880 4.840 3.960 -0.000 0.000 0.235 220 G C -0.670 174.229 174.900 -0.002 0.000 1.351 220 G CA -0.281 44.816 45.100 -0.005 0.000 1.039 220 G HN 0.923 nan 8.290 nan 0.000 0.563 221 G N -2.808 105.989 108.800 -0.005 0.000 2.342 221 G HA2 0.516 4.476 3.960 -0.000 0.000 0.297 221 G HA3 0.516 4.476 3.960 -0.000 0.000 0.297 221 G C -2.122 172.772 174.900 -0.009 0.000 1.313 221 G CA -0.173 44.925 45.100 -0.003 0.000 0.830 221 G HN 1.103 nan 8.290 nan 0.000 0.506 222 V N -0.052 119.856 119.914 -0.010 0.000 2.540 222 V HA 0.722 4.842 4.120 -0.000 0.000 0.302 222 V C -0.210 175.865 176.094 -0.032 0.000 1.035 222 V CA -0.638 61.652 62.300 -0.017 0.000 0.873 222 V CB 1.429 33.242 31.823 -0.016 0.000 0.992 222 V HN 0.739 nan 8.190 nan 0.000 0.428 223 V N 3.315 123.206 119.914 -0.038 0.000 2.769 223 V HA 0.571 4.691 4.120 -0.000 0.000 0.312 223 V C -0.399 175.648 176.094 -0.079 0.000 1.061 223 V CA -0.736 61.524 62.300 -0.067 0.000 0.931 223 V CB 2.144 33.947 31.823 -0.032 0.000 1.010 223 V HN 0.955 nan 8.190 nan 0.000 0.433 224 E N 2.016 122.125 120.200 -0.151 0.000 2.165 224 E HA 0.697 5.047 4.350 -0.000 0.000 0.266 224 E C -0.593 176.019 176.600 0.021 0.000 0.889 224 E CA -0.601 55.751 56.400 -0.079 0.000 0.756 224 E CB 1.698 31.323 29.700 -0.125 0.000 1.131 224 E HN 0.931 nan 8.360 nan 0.000 0.411 225 A N 3.478 126.324 122.820 0.043 0.000 2.310 225 A HA 0.562 4.882 4.320 -0.000 0.000 0.299 225 A C -0.750 176.879 177.584 0.074 0.000 1.147 225 A CA -0.524 51.548 52.037 0.058 0.000 0.818 225 A CB 1.102 20.120 19.000 0.031 0.000 1.096 225 A HN 0.418 nan 8.150 nan 0.000 0.495 226 V N 1.245 121.200 119.914 0.069 0.000 2.531 226 V HA 0.675 4.795 4.120 -0.000 0.000 0.301 226 V C 0.144 176.253 176.094 0.025 0.000 1.034 226 V CA -0.279 62.052 62.300 0.052 0.000 0.865 226 V CB 1.462 33.310 31.823 0.041 0.000 0.995 226 V HN 1.237 nan 8.190 nan 0.000 0.424 227 A N 6.115 128.950 122.820 0.025 0.000 2.304 227 A HA 0.918 5.237 4.320 -0.000 0.000 0.314 227 A C -0.957 176.637 177.584 0.017 0.000 1.187 227 A CA -0.455 51.593 52.037 0.019 0.000 0.810 227 A CB 0.815 19.831 19.000 0.027 0.000 1.183 227 A HN 0.794 nan 8.150 nan 0.000 0.487 228 L N 1.715 122.941 121.223 0.006 0.000 2.334 228 L HA 0.722 5.062 4.340 -0.000 0.000 0.276 228 L C 1.214 178.087 176.870 0.006 0.000 1.014 228 L CA 0.091 54.934 54.840 0.004 0.000 0.815 228 L CB 1.848 43.901 42.059 -0.011 0.000 1.268 228 L HN 1.210 nan 8.230 nan 0.000 0.428 229 G N 2.152 110.959 108.800 0.012 0.000 2.141 229 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.231 229 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.231 229 G C -0.081 174.834 174.900 0.026 0.000 0.984 229 G CA -0.487 44.619 45.100 0.010 0.000 0.660 229 G HN 0.381 nan 8.290 nan 0.000 0.525 230 L N 2.282 123.531 121.223 0.044 0.000 2.439 230 L HA 0.386 4.726 4.340 -0.000 0.000 0.269 230 L C -0.812 176.117 176.870 0.098 0.000 1.179 230 L CA -1.607 53.276 54.840 0.072 0.000 0.828 230 L CB 0.409 42.515 42.059 0.078 0.000 1.106 230 L HN 0.063 nan 8.230 nan 0.000 0.467 231 P HA 0.112 nan 4.420 nan 0.000 0.276 231 P C -0.713 176.717 177.300 0.217 0.000 1.244 231 P CA -0.418 62.810 63.100 0.214 0.000 0.801 231 P CB 0.973 32.884 31.700 0.351 0.000 1.006 232 V N 1.031 121.084 119.914 0.232 0.000 2.637 232 V HA 0.381 4.501 4.120 -0.000 0.000 0.296 232 V C 1.581 177.831 176.094 0.258 0.000 1.046 232 V CA 1.469 63.892 62.300 0.205 0.000 1.066 232 V CB -0.252 31.671 31.823 0.167 0.000 0.968 232 V HN 1.090 nan 8.190 nan 0.000 0.483 233 G N 3.899 112.791 108.800 0.154 0.000 2.138 233 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.193 233 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.193 233 G C -0.227 174.658 174.900 -0.026 0.000 0.998 233 G CA -0.348 44.807 45.100 0.091 0.000 0.668 233 G HN 0.545 nan 8.290 nan 0.000 0.516 234 L N 0.527 121.753 121.223 0.004 0.000 2.395 234 L HA 0.594 4.934 4.340 -0.000 0.000 0.269 234 L C 1.401 178.267 176.870 -0.006 0.000 1.133 234 L CA 0.480 55.300 54.840 -0.034 0.000 0.812 234 L CB 0.943 43.017 42.059 0.025 0.000 1.125 234 L HN 1.163 nan 8.230 nan 0.000 0.452 235 G N 1.900 110.683 108.800 -0.027 0.000 2.828 235 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.463 235 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.463 235 G C -0.666 174.213 174.900 -0.035 0.000 1.394 235 G CA -0.174 44.924 45.100 -0.004 0.000 0.862 235 G HN 0.807 nan 8.290 nan 0.000 0.540 236 S N -1.804 113.881 115.700 -0.025 0.000 2.596 236 S HA 0.703 5.173 4.470 -0.000 0.000 0.270 236 S C 0.504 175.078 174.600 -0.043 0.000 1.155 236 S CA 0.388 58.517 58.200 -0.118 0.000 0.827 236 S CB 1.098 64.111 63.200 -0.312 0.000 1.130 236 S HN 1.791 nan 8.310 nan 0.000 0.467 237 F N 0.687 120.651 119.950 0.023 0.000 2.765 237 F HA 0.241 4.768 4.527 -0.000 0.000 0.302 237 F C 1.939 177.762 175.800 0.038 0.000 1.111 237 F CA 0.587 58.603 58.000 0.027 0.000 1.359 237 F CB -1.192 37.815 39.000 0.011 0.000 1.097 237 F HN 0.544 nan 8.300 nan 0.000 0.577 238 T N -3.188 111.094 114.554 -0.453 0.000 2.995 238 T HA 0.146 4.496 4.350 -0.000 0.000 0.269 238 T C 0.729 175.435 174.700 0.010 0.000 1.091 238 T CA 0.771 62.713 62.100 -0.262 0.000 1.128 238 T CB -0.272 68.377 68.868 -0.365 0.000 0.891 238 T HN 0.257 nan 8.240 nan 0.000 0.492 239 S N -1.754 113.989 115.700 0.071 0.000 2.587 239 S HA 0.568 5.037 4.470 -0.000 0.000 0.269 239 S C 1.149 175.737 174.600 -0.020 0.000 1.154 239 S CA -0.219 58.001 58.200 0.034 0.000 0.824 239 S CB 1.069 64.278 63.200 0.015 0.000 1.118 239 S HN 0.220 nan 8.310 nan 0.000 0.462 240 G N 1.776 110.548 108.800 -0.047 0.000 2.440 240 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 240 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 240 G C 1.017 175.864 174.900 -0.089 0.000 1.154 240 G CA 1.506 46.579 45.100 -0.045 0.000 0.767 240 G HN 0.894 nan 8.290 nan 0.000 0.552 241 D N -0.218 120.063 120.400 -0.198 0.000 2.269 241 D HA -0.105 4.535 4.640 -0.000 0.000 0.208 241 D C 1.501 177.657 176.300 -0.240 0.000 0.963 241 D CA 0.758 54.612 54.000 -0.243 0.000 0.864 241 D CB -0.629 39.978 40.800 -0.320 0.000 0.936 241 D HN 0.383 nan 8.370 nan 0.000 0.505 242 H N 0.493 119.540 119.070 -0.039 0.000 2.551 242 H HA 0.212 4.768 4.556 0.000 0.000 0.266 242 H C 0.520 175.826 175.328 -0.036 0.000 0.964 242 H CA -0.029 55.987 56.048 -0.053 0.000 1.180 242 H CB 0.149 29.853 29.762 -0.096 0.000 1.408 242 H HN 0.099 nan 8.280 nan 0.000 0.563 243 R N 1.286 121.827 120.500 0.069 0.000 2.484 243 R HA -0.016 4.324 4.340 -0.000 0.000 0.293 243 R C 1.331 177.664 176.300 0.054 0.000 1.023 243 R CA -0.122 56.014 56.100 0.061 0.000 1.037 243 R CB 0.920 31.250 30.300 0.050 0.000 0.951 243 R HN 0.215 nan 8.270 nan 0.000 0.418 244 L N 2.982 124.240 121.223 0.058 0.000 2.141 244 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 244 L C 1.713 178.615 176.870 0.054 0.000 1.094 244 L CA 1.448 56.322 54.840 0.057 0.000 0.763 244 L CB -0.232 41.861 42.059 0.057 0.000 0.908 244 L HN 0.760 nan 8.230 nan 0.000 0.437 245 D N -1.712 118.717 120.400 0.049 0.000 2.144 245 D HA -0.229 4.411 4.640 -0.000 0.000 0.199 245 D C 2.094 178.417 176.300 0.038 0.000 0.984 245 D CA 1.384 55.410 54.000 0.042 0.000 0.834 245 D CB -0.397 40.424 40.800 0.036 0.000 0.955 245 D HN 0.205 nan 8.370 nan 0.000 0.465 246 S N 0.257 115.977 115.700 0.032 0.000 2.356 246 S HA -0.222 4.248 4.470 -0.000 0.000 0.223 246 S C 2.050 176.670 174.600 0.034 0.000 1.032 246 S CA 1.433 59.648 58.200 0.023 0.000 1.005 246 S CB -0.187 63.016 63.200 0.006 0.000 0.867 246 S HN 0.316 nan 8.310 nan 0.000 0.449 247 Q N 0.168 119.994 119.800 0.044 0.000 2.079 247 Q HA 0.017 4.357 4.340 -0.000 0.000 0.200 247 Q C 2.345 178.395 176.000 0.082 0.000 0.974 247 Q CA 1.462 57.304 55.803 0.066 0.000 0.840 247 Q CB -0.281 28.506 28.738 0.081 0.000 0.898 247 Q HN 0.506 nan 8.270 nan 0.000 0.430 248 L N 0.179 121.445 121.223 0.070 0.000 2.056 248 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 248 L C 2.516 179.422 176.870 0.060 0.000 1.078 248 L CA 0.943 55.822 54.840 0.065 0.000 0.749 248 L CB -0.569 41.523 42.059 0.055 0.000 0.901 248 L HN 0.215 nan 8.230 nan 0.000 0.433 249 A N 0.045 122.897 122.820 0.053 0.000 1.902 249 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 249 A C 2.541 180.157 177.584 0.053 0.000 1.181 249 A CA 1.773 53.840 52.037 0.050 0.000 0.623 249 A CB -0.733 18.293 19.000 0.044 0.000 0.818 249 A HN 0.402 nan 8.150 nan 0.000 0.443 250 A N -0.115 122.739 122.820 0.056 0.000 1.883 250 A HA 0.120 4.440 4.320 -0.000 0.000 0.217 250 A C 2.527 180.159 177.584 0.081 0.000 1.186 250 A CA 2.307 54.380 52.037 0.060 0.000 0.624 250 A CB -1.076 17.959 19.000 0.058 0.000 0.822 250 A HN 1.091 nan 8.150 nan 0.000 0.444 251 A N -0.889 121.992 122.820 0.102 0.000 1.930 251 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 251 A C 2.214 179.843 177.584 0.075 0.000 1.175 251 A CA 1.764 53.875 52.037 0.123 0.000 0.627 251 A CB -0.720 18.364 19.000 0.139 0.000 0.815 251 A HN 0.386 nan 8.150 nan 0.000 0.443 252 V N -0.397 119.550 119.914 0.056 0.000 2.407 252 V HA -0.172 3.948 4.120 -0.000 0.000 0.245 252 V C 2.547 178.664 176.094 0.038 0.000 1.041 252 V CA 1.569 63.892 62.300 0.039 0.000 1.040 252 V CB -0.560 31.284 31.823 0.035 0.000 0.671 252 V HN 0.463 nan 8.190 nan 0.000 0.455 253 M N 0.645 120.271 119.600 0.044 0.000 2.279 253 M HA -0.037 4.443 4.480 -0.000 0.000 0.264 253 M C 2.129 178.452 176.300 0.037 0.000 1.062 253 M CA 1.650 56.973 55.300 0.038 0.000 1.099 253 M CB -1.424 31.201 32.600 0.041 0.000 1.394 253 M HN 0.456 nan 8.290 nan 0.000 0.426 254 G N -0.102 108.726 108.800 0.047 0.000 2.679 254 G HA2 0.063 4.023 3.960 -0.000 0.000 0.212 254 G HA3 0.063 4.023 3.960 -0.000 0.000 0.212 254 G C 0.750 175.677 174.900 0.044 0.000 1.137 254 G CA -0.193 44.938 45.100 0.050 0.000 0.787 254 G HN 0.366 nan 8.290 nan 0.000 0.534 255 I N 0.866 121.456 120.570 0.034 0.000 2.529 255 I HA 0.093 4.263 4.170 -0.000 0.000 0.284 255 I C 0.204 176.330 176.117 0.015 0.000 1.082 255 I CA -0.725 60.589 61.300 0.023 0.000 1.406 255 I CB 1.017 39.026 38.000 0.015 0.000 1.405 255 I HN 0.013 nan 8.210 nan 0.000 0.548 256 Q N 4.676 124.484 119.800 0.012 0.000 2.310 256 Q HA 0.116 4.456 4.340 -0.000 0.000 0.315 256 Q C 0.888 176.883 176.000 -0.008 0.000 1.081 256 Q CA 1.225 57.031 55.803 0.004 0.000 0.981 256 Q CB 0.226 28.970 28.738 0.010 0.000 1.184 256 Q HN 0.834 nan 8.270 nan 0.000 0.389 257 A N 1.709 124.513 122.820 -0.028 0.000 3.396 257 A HA -0.188 4.132 4.320 -0.000 0.000 0.267 257 A C 0.091 177.659 177.584 -0.027 0.000 1.139 257 A CA 0.612 52.623 52.037 -0.043 0.000 1.115 257 A CB -1.775 17.201 19.000 -0.040 0.000 1.133 257 A HN 0.513 nan 8.150 nan 0.000 0.920 258 I N 0.239 120.801 120.570 -0.012 0.000 2.416 258 I HA 0.286 4.456 4.170 -0.000 0.000 0.288 258 I C 1.135 177.249 176.117 -0.004 0.000 1.051 258 I CA 0.273 61.570 61.300 -0.004 0.000 1.375 258 I CB 1.153 39.158 38.000 0.007 0.000 1.407 258 I HN 0.156 nan 8.210 nan 0.000 0.516 259 K N 3.910 124.304 120.400 -0.009 0.000 2.438 259 K HA 0.354 4.674 4.320 -0.000 0.000 0.206 259 K C 0.470 177.067 176.600 -0.004 0.000 1.081 259 K CA 0.052 56.333 56.287 -0.010 0.000 1.053 259 K CB 1.756 34.240 32.500 -0.026 0.000 0.908 259 K HN 0.782 nan 8.250 nan 0.000 0.556 260 G N 0.332 109.135 108.800 0.005 0.000 2.742 260 G HA2 0.520 4.480 3.960 -0.000 0.000 0.296 260 G HA3 0.520 4.480 3.960 -0.000 0.000 0.296 260 G C -1.574 173.361 174.900 0.058 0.000 1.436 260 G CA -0.367 44.751 45.100 0.030 0.000 0.928 260 G HN -0.140 nan 8.290 nan 0.000 0.520 261 V N 0.677 120.655 119.914 0.108 0.000 2.760 261 V HA 0.639 4.759 4.120 -0.000 0.000 0.309 261 V C -0.579 175.603 176.094 0.147 0.000 1.077 261 V CA -0.807 61.553 62.300 0.100 0.000 0.910 261 V CB 2.073 33.940 31.823 0.074 0.000 1.008 261 V HN 0.847 nan 8.190 nan 0.000 0.424 262 E N 3.553 123.825 120.200 0.121 0.000 2.317 262 E HA 0.596 4.946 4.350 -0.000 0.000 0.270 262 E C -1.548 175.093 176.600 0.067 0.000 0.885 262 E CA -0.896 55.573 56.400 0.115 0.000 0.760 262 E CB 2.733 32.525 29.700 0.153 0.000 1.227 262 E HN 0.375 nan 8.360 nan 0.000 0.434 263 I N 2.432 123.028 120.570 0.043 0.000 2.354 263 I HA 0.304 4.474 4.170 -0.000 0.000 0.292 263 I C 1.205 177.343 176.117 0.035 0.000 0.989 263 I CA 0.287 61.610 61.300 0.038 0.000 1.188 263 I CB 0.156 38.175 38.000 0.031 0.000 1.342 263 I HN 0.871 nan 8.210 nan 0.000 0.457 264 G N 7.144 115.969 108.800 0.042 0.000 2.634 264 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.309 264 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.309 264 G C 0.507 175.429 174.900 0.037 0.000 1.265 264 G CA 0.504 45.627 45.100 0.039 0.000 0.998 264 G HN 0.545 nan 8.290 nan 0.000 0.551 265 D N 2.587 123.001 120.400 0.024 0.000 2.363 265 D HA 0.306 4.946 4.640 -0.000 0.000 0.226 265 D C 2.076 178.395 176.300 0.032 0.000 1.020 265 D CA 2.001 56.014 54.000 0.022 0.000 0.892 265 D CB -0.624 40.178 40.800 0.003 0.000 0.900 265 D HN 1.132 nan 8.370 nan 0.000 0.531 266 G N 1.532 110.345 108.800 0.021 0.000 2.678 266 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.362 266 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.362 266 G C 1.173 176.039 174.900 -0.056 0.000 1.169 266 G CA 0.833 45.931 45.100 -0.004 0.000 0.933 266 G HN 0.331 nan 8.290 nan 0.000 0.587 267 F N 0.995 120.944 119.950 -0.002 0.000 2.269 267 F HA 0.014 4.541 4.527 -0.000 0.000 0.301 267 F C 2.928 178.723 175.800 -0.009 0.000 1.082 267 F CA 2.038 60.035 58.000 -0.003 0.000 1.360 267 F CB -0.289 38.710 39.000 -0.002 0.000 1.041 267 F HN 0.374 nan 8.300 nan 0.000 0.512 268 Q N 0.167 120.043 119.800 0.126 0.000 2.123 268 Q HA -0.114 4.226 4.340 -0.000 0.000 0.199 268 Q C 2.042 178.046 176.000 0.007 0.000 0.966 268 Q CA 2.054 57.892 55.803 0.059 0.000 0.845 268 Q CB -0.715 28.047 28.738 0.040 0.000 0.907 268 Q HN 0.266 nan 8.270 nan 0.000 0.439 269 T N 0.245 114.787 114.554 -0.019 0.000 2.759 269 T HA -0.162 4.188 4.350 -0.000 0.000 0.269 269 T C 1.590 176.249 174.700 -0.069 0.000 1.042 269 T CA 1.359 63.421 62.100 -0.064 0.000 1.140 269 T CB -0.512 68.311 68.868 -0.075 0.000 0.864 269 T HN 0.458 nan 8.240 nan 0.000 0.455 270 A N 1.169 123.950 122.820 -0.064 0.000 2.172 270 A HA -0.022 4.298 4.320 -0.000 0.000 0.216 270 A C 2.140 179.713 177.584 -0.019 0.000 1.154 270 A CA 0.890 52.893 52.037 -0.056 0.000 0.701 270 A CB -0.299 18.650 19.000 -0.085 0.000 0.789 270 A HN 0.426 nan 8.150 nan 0.000 0.465 271 R N -0.970 119.526 120.500 -0.006 0.000 2.432 271 R HA 0.198 4.538 4.340 -0.000 0.000 0.260 271 R C -0.056 176.236 176.300 -0.012 0.000 0.935 271 R CA -0.121 55.980 56.100 0.003 0.000 1.080 271 R CB 0.430 30.742 30.300 0.021 0.000 1.155 271 R HN 0.344 nan 8.270 nan 0.000 0.531 272 R N 0.656 121.137 120.500 -0.033 0.000 2.668 272 R HA 0.371 4.711 4.340 -0.000 0.000 0.279 272 R C -0.138 176.133 176.300 -0.049 0.000 0.976 272 R CA -0.799 55.274 56.100 -0.045 0.000 0.978 272 R CB 1.631 31.888 30.300 -0.071 0.000 1.133 272 R HN -0.100 nan 8.270 nan 0.000 0.484 273 R N -0.141 120.336 120.500 -0.038 0.000 2.582 273 R HA 0.071 4.411 4.340 -0.000 0.000 0.271 273 R C 1.447 177.721 176.300 -0.043 0.000 1.078 273 R CA 0.216 56.300 56.100 -0.026 0.000 1.127 273 R CB 0.643 30.937 30.300 -0.010 0.000 1.038 273 R HN 0.890 nan 8.270 nan 0.000 0.500 274 G N 0.403 109.201 108.800 -0.003 0.000 2.469 274 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.220 274 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.220 274 G C 1.355 176.295 174.900 0.067 0.000 1.136 274 G CA 1.185 46.316 45.100 0.052 0.000 0.759 274 G HN 0.680 nan 8.290 nan 0.000 0.562 275 S N -0.235 115.488 115.700 0.039 0.000 2.469 275 S HA 0.008 4.478 4.470 -0.000 0.000 0.238 275 S C 1.871 176.484 174.600 0.021 0.000 0.998 275 S CA 0.916 59.139 58.200 0.039 0.000 0.957 275 S CB -0.057 63.158 63.200 0.025 0.000 0.764 275 S HN 0.477 nan 8.310 nan 0.000 0.514 276 R N -0.495 119.994 120.500 -0.018 0.000 2.572 276 R HA 0.453 4.793 4.340 -0.000 0.000 0.370 276 R C 1.365 177.610 176.300 -0.093 0.000 1.005 276 R CA 0.531 56.612 56.100 -0.032 0.000 1.146 276 R CB 0.510 30.796 30.300 -0.022 0.000 1.390 276 R HN 0.437 nan 8.270 nan 0.000 0.553 277 A N 0.123 122.814 122.820 -0.214 0.000 2.115 277 A HA 0.147 4.467 4.320 -0.000 0.000 0.211 277 A C 0.460 177.766 177.584 -0.463 0.000 1.169 277 A CA 0.509 52.306 52.037 -0.401 0.000 0.787 277 A CB 0.169 18.804 19.000 -0.610 0.000 0.858 277 A HN 0.119 nan 8.150 nan 0.000 0.474 278 H N -0.173 118.898 119.070 0.001 0.000 2.754 278 H HA 0.396 4.952 4.556 -0.000 0.000 0.352 278 H C -1.357 173.975 175.328 0.007 0.000 1.213 278 H CA -0.928 55.120 56.048 -0.001 0.000 1.244 278 H CB 0.794 30.549 29.762 -0.012 0.000 1.843 278 H HN 0.160 nan 8.280 nan 0.000 0.587 279 D N 1.508 121.997 120.400 0.147 0.000 2.427 279 D HA 0.166 4.806 4.640 -0.000 0.000 0.226 279 D C 0.021 176.347 176.300 0.044 0.000 1.076 279 D CA -0.309 53.744 54.000 0.088 0.000 0.849 279 D CB 1.193 42.038 40.800 0.074 0.000 1.052 279 D HN 0.403 nan 8.370 nan 0.000 0.515 280 E N 1.446 121.663 120.200 0.028 0.000 2.404 280 E HA 0.236 4.586 4.350 -0.000 0.000 0.261 280 E C 0.096 176.539 176.600 -0.261 0.000 1.074 280 E CA 0.061 56.382 56.400 -0.132 0.000 0.917 280 E CB 1.169 30.780 29.700 -0.148 0.000 0.965 280 E HN 0.283 nan 8.360 nan 0.000 0.433 281 M N 1.885 121.212 119.600 -0.456 0.000 2.436 281 M HA 0.409 4.889 4.480 -0.000 0.000 0.331 281 M C -1.337 174.573 176.300 -0.651 0.000 1.135 281 M CA -0.481 54.604 55.300 -0.359 0.000 0.987 281 M CB 1.112 33.609 32.600 -0.171 0.000 1.687 281 M HN 0.436 nan 8.290 nan 0.000 0.445 282 Y N 0.619 120.923 120.300 0.006 0.000 2.553 282 Y HA 0.534 5.084 4.550 -0.000 0.000 0.347 282 Y C -2.387 173.514 175.900 0.002 0.000 1.019 282 Y CA -2.428 55.674 58.100 0.004 0.000 1.032 282 Y CB 0.970 39.433 38.460 0.005 0.000 1.284 282 Y HN 0.446 nan 8.280 nan 0.000 0.466 283 P HA 0.319 nan 4.420 nan 0.000 0.269 283 P C -0.264 177.086 177.300 0.082 0.000 1.209 283 P CA 0.038 63.191 63.100 0.087 0.000 0.776 283 P CB 0.814 32.553 31.700 0.066 0.000 0.876 284 G N 1.941 110.773 108.800 0.052 0.000 2.708 284 G HA2 0.481 4.441 3.960 -0.000 0.000 0.289 284 G HA3 0.481 4.441 3.960 -0.000 0.000 0.289 284 G C -2.210 172.703 174.900 0.022 0.000 1.416 284 G CA -0.976 44.146 45.100 0.038 0.000 0.829 284 G HN 0.174 nan 8.290 nan 0.000 0.480 285 P HA -0.003 nan 4.420 nan 0.000 0.213 285 P C 0.136 177.439 177.300 0.005 0.000 1.170 285 P CA 1.119 64.224 63.100 0.008 0.000 0.898 285 P CB 0.300 32.003 31.700 0.005 0.000 0.787 286 D N 0.083 120.486 120.400 0.005 0.000 2.894 286 D HA 0.398 5.038 4.640 -0.000 0.000 0.248 286 D C 1.077 177.377 176.300 0.001 0.000 1.291 286 D CA 0.337 54.336 54.000 -0.001 0.000 0.840 286 D CB 0.332 41.130 40.800 -0.003 0.000 1.044 286 D HN 0.284 nan 8.370 nan 0.000 0.484 287 G N -0.610 108.194 108.800 0.006 0.000 2.373 287 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.634 287 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.634 287 G C -0.577 174.335 174.900 0.021 0.000 1.267 287 G CA -0.955 44.150 45.100 0.007 0.000 1.008 287 G HN 0.086 nan 8.290 nan 0.000 0.497 288 V N 0.443 120.369 119.914 0.019 0.000 2.673 288 V HA 0.431 4.551 4.120 -0.000 0.000 0.303 288 V C 1.224 177.347 176.094 0.048 0.000 1.046 288 V CA 0.596 62.914 62.300 0.030 0.000 1.126 288 V CB 0.687 32.517 31.823 0.011 0.000 0.934 288 V HN 1.742 nan 8.190 nan 0.000 0.487 289 V N 3.477 123.440 119.914 0.082 0.000 2.914 289 V HA 0.788 4.908 4.120 -0.000 0.000 0.314 289 V C -0.559 175.633 176.094 0.164 0.000 1.084 289 V CA -1.184 61.177 62.300 0.101 0.000 0.963 289 V CB 2.230 34.108 31.823 0.091 0.000 1.025 289 V HN 0.815 nan 8.190 nan 0.000 0.432 290 R N 1.383 121.969 120.500 0.143 0.000 2.803 290 R HA 0.642 4.982 4.340 -0.000 0.000 0.276 290 R C 0.604 176.997 176.300 0.156 0.000 0.978 290 R CA -0.042 56.167 56.100 0.181 0.000 0.939 290 R CB 2.202 32.566 30.300 0.106 0.000 1.179 290 R HN 0.944 nan 8.270 nan 0.000 0.472 291 S N -1.399 114.413 115.700 0.186 0.000 2.511 291 S HA 0.027 4.497 4.470 -0.000 0.000 0.214 291 S C 0.670 175.316 174.600 0.076 0.000 0.997 291 S CA -0.053 58.201 58.200 0.091 0.000 0.908 291 S CB 0.222 63.447 63.200 0.041 0.000 0.803 291 S HN 0.718 nan 8.310 nan 0.000 0.504 292 T N -0.174 114.435 114.554 0.092 0.000 2.901 292 T HA 0.628 4.978 4.350 -0.000 0.000 0.293 292 T C -0.907 173.830 174.700 0.061 0.000 1.084 292 T CA -0.792 61.346 62.100 0.065 0.000 1.008 292 T CB 1.667 70.571 68.868 0.061 0.000 1.170 292 T HN 0.004 nan 8.240 nan 0.000 0.509 293 N N -0.731 117.998 118.700 0.047 0.000 2.646 293 N HA 0.268 5.008 4.740 -0.000 0.000 0.303 293 N C 0.955 176.488 175.510 0.038 0.000 1.921 293 N CA -0.572 52.506 53.050 0.046 0.000 0.872 293 N CB 0.207 38.721 38.487 0.045 0.000 1.327 293 N HN 0.582 nan 8.380 nan 0.000 0.492 294 R N -0.321 120.199 120.500 0.033 0.000 2.120 294 R HA 0.005 4.345 4.340 -0.000 0.000 0.234 294 R C 1.704 178.019 176.300 0.025 0.000 1.123 294 R CA 1.585 57.696 56.100 0.018 0.000 0.975 294 R CB -0.028 30.270 30.300 -0.003 0.000 0.866 294 R HN 0.301 nan 8.270 nan 0.000 0.446 295 A N 0.429 123.274 122.820 0.043 0.000 2.119 295 A HA 0.091 4.411 4.320 -0.000 0.000 0.217 295 A C 1.573 179.184 177.584 0.044 0.000 1.153 295 A CA 0.905 52.972 52.037 0.050 0.000 0.692 295 A CB -0.482 18.556 19.000 0.065 0.000 0.799 295 A HN 0.450 nan 8.150 nan 0.000 0.458 296 G N -2.009 106.817 108.800 0.043 0.000 2.249 296 G HA2 0.132 4.092 3.960 -0.000 0.000 0.273 296 G HA3 0.132 4.092 3.960 -0.000 0.000 0.273 296 G C 1.450 176.378 174.900 0.048 0.000 1.036 296 G CA 0.884 46.011 45.100 0.046 0.000 0.824 296 G HN 2.085 nan 8.290 nan 0.000 0.504 297 G N -2.119 106.711 108.800 0.049 0.000 2.179 297 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.260 297 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.260 297 G C 0.236 175.169 174.900 0.054 0.000 0.977 297 G CA 0.655 45.786 45.100 0.051 0.000 0.641 297 G HN 1.482 nan 8.290 nan 0.000 0.533 298 L N -0.016 121.238 121.223 0.052 0.000 2.385 298 L HA 0.745 5.085 4.340 -0.000 0.000 0.273 298 L C -0.372 176.529 176.870 0.052 0.000 0.990 298 L CA -0.777 54.095 54.840 0.054 0.000 0.821 298 L CB 2.171 44.262 42.059 0.052 0.000 1.279 298 L HN 0.144 nan 8.230 nan 0.000 0.412 299 E N 1.144 121.376 120.200 0.052 0.000 2.275 299 E HA 0.413 4.763 4.350 -0.000 0.000 0.270 299 E C 0.233 176.862 176.600 0.048 0.000 0.882 299 E CA -0.389 56.036 56.400 0.042 0.000 0.758 299 E CB 2.156 31.871 29.700 0.026 0.000 1.195 299 E HN 0.824 nan 8.360 nan 0.000 0.419 300 G N 1.863 110.688 108.800 0.043 0.000 2.233 300 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.270 300 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.270 300 G C 0.882 175.854 174.900 0.121 0.000 1.011 300 G CA 0.786 45.925 45.100 0.066 0.000 0.762 300 G HN 1.278 nan 8.290 nan 0.000 0.511 301 G N -2.361 106.495 108.800 0.093 0.000 2.175 301 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.244 301 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.244 301 G C 0.142 175.095 174.900 0.089 0.000 0.982 301 G CA 0.876 46.032 45.100 0.093 0.000 0.641 301 G HN 1.158 nan 8.290 nan 0.000 0.527 302 M N 1.232 120.888 119.600 0.093 0.000 2.591 302 M HA 0.494 4.974 4.480 -0.000 0.000 0.306 302 M C 0.649 176.994 176.300 0.076 0.000 1.190 302 M CA -0.433 54.918 55.300 0.086 0.000 0.889 302 M CB 2.137 34.804 32.600 0.112 0.000 1.728 302 M HN 0.313 nan 8.290 nan 0.000 0.458 303 T N -0.923 113.676 114.554 0.074 0.000 2.928 303 T HA 0.124 4.474 4.350 -0.000 0.000 0.305 303 T C 0.512 175.261 174.700 0.083 0.000 1.035 303 T CA -0.424 61.723 62.100 0.077 0.000 1.145 303 T CB 0.089 69.008 68.868 0.085 0.000 0.963 303 T HN 0.817 nan 8.240 nan 0.000 0.545 304 N N 1.226 119.969 118.700 0.072 0.000 2.205 304 N HA 0.243 4.983 4.740 -0.000 0.000 0.201 304 N C 1.417 176.966 175.510 0.065 0.000 1.128 304 N CA 0.245 53.335 53.050 0.066 0.000 0.867 304 N CB 0.075 38.593 38.487 0.052 0.000 0.996 304 N HN 1.136 nan 8.380 nan 0.000 0.503 305 G N -0.659 108.183 108.800 0.070 0.000 2.213 305 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.236 305 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.236 305 G C -0.086 174.845 174.900 0.052 0.000 0.991 305 G CA -0.041 45.097 45.100 0.065 0.000 0.629 305 G HN 0.368 nan 8.290 nan 0.000 0.517 306 Q N 0.905 120.735 119.800 0.051 0.000 2.396 306 Q HA 0.360 4.700 4.340 -0.000 0.000 0.221 306 Q C -2.287 173.739 176.000 0.043 0.000 1.025 306 Q CA -1.329 54.501 55.803 0.045 0.000 0.946 306 Q CB 0.175 28.941 28.738 0.048 0.000 1.224 306 Q HN 0.207 nan 8.270 nan 0.000 0.539 307 P HA -0.046 nan 4.420 nan 0.000 0.264 307 P C -0.576 176.749 177.300 0.042 0.000 1.193 307 P CA -0.055 63.065 63.100 0.034 0.000 0.763 307 P CB 0.226 31.942 31.700 0.027 0.000 0.810 308 L N 5.177 126.425 121.223 0.042 0.000 2.331 308 L HA 0.290 4.630 4.340 -0.000 0.000 0.278 308 L C 0.012 176.911 176.870 0.049 0.000 1.106 308 L CA 0.374 55.242 54.840 0.047 0.000 0.824 308 L CB 0.061 42.148 42.059 0.046 0.000 1.142 308 L HN 0.283 nan 8.230 nan 0.000 0.443 309 R N 4.755 125.288 120.500 0.053 0.000 2.451 309 R HA 0.627 4.967 4.340 -0.000 0.000 0.307 309 R C -1.596 174.737 176.300 0.055 0.000 0.965 309 R CA -0.790 55.347 56.100 0.062 0.000 0.865 309 R CB 1.903 32.246 30.300 0.071 0.000 1.174 309 R HN 0.462 nan 8.270 nan 0.000 0.455 310 V N 4.054 123.999 119.914 0.052 0.000 2.444 310 V HA 0.463 4.583 4.120 -0.000 0.000 0.294 310 V C -0.025 176.092 176.094 0.039 0.000 1.022 310 V CA -0.876 61.451 62.300 0.045 0.000 0.850 310 V CB 1.915 33.763 31.823 0.040 0.000 0.992 310 V HN 0.642 nan 8.190 nan 0.000 0.426 311 R N 2.818 123.343 120.500 0.041 0.000 2.532 311 R HA 0.866 5.206 4.340 -0.000 0.000 0.295 311 R C -0.492 175.828 176.300 0.033 0.000 0.968 311 R CA -0.526 55.592 56.100 0.029 0.000 0.916 311 R CB 2.246 32.566 30.300 0.033 0.000 1.124 311 R HN 0.793 nan 8.270 nan 0.000 0.463 312 A N 1.416 124.245 122.820 0.016 0.000 2.371 312 A HA 0.711 5.031 4.320 -0.000 0.000 0.311 312 A C -0.878 176.708 177.584 0.003 0.000 1.068 312 A CA -0.698 51.349 52.037 0.016 0.000 0.744 312 A CB 1.726 20.733 19.000 0.012 0.000 1.239 312 A HN 0.750 nan 8.150 nan 0.000 0.435 313 A N 2.866 125.686 122.820 -0.000 0.000 2.260 313 A HA 0.642 4.962 4.320 -0.000 0.000 0.308 313 A C -0.167 177.408 177.584 -0.016 0.000 1.254 313 A CA -0.236 51.791 52.037 -0.017 0.000 0.874 313 A CB 0.155 19.134 19.000 -0.035 0.000 1.153 313 A HN 1.027 nan 8.150 nan 0.000 0.527 314 M N 4.373 123.963 119.600 -0.016 0.000 2.205 314 M HA 0.356 4.836 4.480 -0.000 0.000 0.344 314 M C 0.145 176.433 176.300 -0.021 0.000 1.085 314 M CA -0.605 54.685 55.300 -0.016 0.000 1.001 314 M CB 1.063 33.658 32.600 -0.010 0.000 1.626 314 M HN 0.781 nan 8.290 nan 0.000 0.442 315 K N 5.297 125.680 120.400 -0.029 0.000 2.168 315 K HA 0.554 4.873 4.320 -0.000 0.000 0.258 315 K C -2.788 173.796 176.600 -0.026 0.000 1.010 315 K CA -1.473 54.794 56.287 -0.032 0.000 0.929 315 K CB -0.062 32.411 32.500 -0.045 0.000 0.998 315 K HN 0.284 nan 8.250 nan 0.000 0.479 316 P HA 0.067 nan 4.420 nan 0.000 0.276 316 P C -0.230 177.070 177.300 0.000 0.000 1.235 316 P CA -0.064 63.032 63.100 -0.006 0.000 0.772 316 P CB 0.703 32.402 31.700 -0.001 0.000 0.871 317 I N 1.173 121.756 120.570 0.022 0.000 4.032 317 I HA 0.067 4.237 4.170 -0.000 0.000 0.313 317 I C -0.003 176.208 176.117 0.156 0.000 1.272 317 I CA 0.317 61.637 61.300 0.033 0.000 1.307 317 I CB 0.551 38.571 38.000 0.033 0.000 1.155 317 I HN 0.108 nan 8.210 nan 0.000 0.431 318 S N 1.372 117.138 115.700 0.111 0.000 2.513 318 S HA 0.272 4.742 4.470 -0.000 0.000 0.276 318 S C -0.013 174.657 174.600 0.117 0.000 1.254 318 S CA -0.367 57.903 58.200 0.116 0.000 1.053 318 S CB 1.161 64.388 63.200 0.045 0.000 0.958 318 S HN 0.184 nan 8.310 nan 0.000 0.491 319 T N 3.024 117.664 114.554 0.144 0.000 2.870 319 T HA 0.163 4.513 4.350 -0.000 0.000 0.300 319 T C 0.330 175.058 174.700 0.047 0.000 0.989 319 T CA -0.341 61.832 62.100 0.122 0.000 1.139 319 T CB 0.330 69.266 68.868 0.113 0.000 0.920 319 T HN 0.357 nan 8.240 nan 0.000 0.537 320 V N 7.703 127.634 119.914 0.028 0.000 2.479 320 V HA 0.142 4.262 4.120 -0.000 0.000 0.281 320 V C -1.840 174.250 176.094 -0.007 0.000 1.031 320 V CA -1.644 60.646 62.300 -0.016 0.000 1.038 320 V CB 0.179 31.999 31.823 -0.005 0.000 0.981 320 V HN 0.733 nan 8.190 nan 0.000 0.478 321 P HA 0.093 nan 4.420 nan 0.000 0.261 321 P C 0.604 177.920 177.300 0.027 0.000 1.183 321 P CA 0.245 63.350 63.100 0.009 0.000 0.761 321 P CB 0.154 31.814 31.700 -0.066 0.000 0.785 322 R N 1.404 121.935 120.500 0.053 0.000 3.977 322 R HA -0.282 4.058 4.340 -0.000 0.000 0.428 322 R C 1.079 177.393 176.300 0.024 0.000 1.079 322 R CA 1.133 57.254 56.100 0.036 0.000 1.269 322 R CB -2.371 27.945 30.300 0.027 0.000 1.856 322 R HN 0.576 nan 8.270 nan 0.000 0.551 323 A N 0.541 123.374 122.820 0.023 0.000 1.997 323 A HA 0.242 4.562 4.320 -0.000 0.000 0.212 323 A C 0.947 178.542 177.584 0.018 0.000 1.178 323 A CA 0.338 52.385 52.037 0.016 0.000 0.698 323 A CB 0.418 19.425 19.000 0.011 0.000 0.842 323 A HN 0.119 nan 8.150 nan 0.000 0.458 324 L N 0.864 122.103 121.223 0.025 0.000 2.287 324 L HA 0.589 4.929 4.340 -0.000 0.000 0.287 324 L C 0.234 177.116 176.870 0.020 0.000 1.022 324 L CA -0.763 54.091 54.840 0.024 0.000 0.814 324 L CB 1.478 43.558 42.059 0.035 0.000 1.217 324 L HN 0.216 nan 8.230 nan 0.000 0.420 325 A N 2.798 125.625 122.820 0.011 0.000 2.440 325 A HA 0.559 4.878 4.320 -0.000 0.000 0.251 325 A C 0.180 177.765 177.584 0.003 0.000 1.089 325 A CA 0.214 52.255 52.037 0.007 0.000 0.779 325 A CB 0.886 19.886 19.000 0.000 0.000 1.022 325 A HN 0.738 nan 8.150 nan 0.000 0.492 326 T N 0.426 114.983 114.554 0.005 0.000 2.618 326 T HA 0.585 4.935 4.350 -0.000 0.000 0.286 326 T C -1.262 173.441 174.700 0.004 0.000 1.027 326 T CA -0.247 61.853 62.100 -0.000 0.000 1.063 326 T CB 0.981 69.858 68.868 0.016 0.000 1.440 326 T HN 0.751 nan 8.240 nan 0.000 0.505 327 V N 2.361 122.283 119.914 0.012 0.000 2.656 327 V HA 0.457 4.577 4.120 -0.000 0.000 0.307 327 V C -0.875 175.247 176.094 0.048 0.000 1.051 327 V CA -0.876 61.440 62.300 0.026 0.000 0.893 327 V CB 1.772 33.610 31.823 0.025 0.000 0.999 327 V HN 0.901 nan 8.190 nan 0.000 0.426 328 D N 3.406 123.831 120.400 0.043 0.000 2.352 328 D HA 0.213 4.853 4.640 -0.000 0.000 0.245 328 D C 0.991 177.327 176.300 0.059 0.000 1.224 328 D CA 0.060 54.089 54.000 0.048 0.000 0.879 328 D CB 1.083 41.904 40.800 0.035 0.000 1.057 328 D HN 0.466 nan 8.370 nan 0.000 0.491 329 L N 3.159 124.429 121.223 0.079 0.000 2.362 329 L HA -0.095 4.245 4.340 -0.000 0.000 0.219 329 L C 2.259 179.168 176.870 0.065 0.000 1.134 329 L CA 0.799 55.692 54.840 0.089 0.000 0.807 329 L CB -0.281 41.846 42.059 0.113 0.000 0.927 329 L HN 0.446 nan 8.230 nan 0.000 0.447 330 A N 0.132 122.984 122.820 0.053 0.000 1.930 330 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 330 A C 2.327 179.933 177.584 0.036 0.000 1.175 330 A CA 2.134 54.196 52.037 0.042 0.000 0.627 330 A CB -0.469 18.553 19.000 0.036 0.000 0.815 330 A HN 0.488 nan 8.150 nan 0.000 0.443 331 T N -6.517 108.058 114.554 0.035 0.000 2.955 331 T HA 0.434 4.784 4.350 -0.000 0.000 0.251 331 T C 1.448 176.165 174.700 0.030 0.000 1.002 331 T CA 1.091 63.209 62.100 0.029 0.000 0.970 331 T CB 0.426 69.309 68.868 0.024 0.000 1.091 331 T HN 1.691 nan 8.240 nan 0.000 0.495 332 G N 1.565 110.387 108.800 0.036 0.000 2.176 332 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.253 332 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.253 332 G C -0.322 174.594 174.900 0.028 0.000 0.979 332 G CA 0.104 45.225 45.100 0.035 0.000 0.641 332 G HN 0.601 nan 8.290 nan 0.000 0.530 333 D N 0.811 121.227 120.400 0.025 0.000 2.339 333 D HA 0.385 5.025 4.640 -0.000 0.000 0.245 333 D C 0.778 177.089 176.300 0.019 0.000 1.115 333 D CA -0.207 53.805 54.000 0.020 0.000 0.917 333 D CB 0.683 41.494 40.800 0.018 0.000 1.192 333 D HN 0.453 nan 8.370 nan 0.000 0.428 334 E N -0.311 119.897 120.200 0.014 0.000 2.442 334 E HA 0.310 4.660 4.350 -0.000 0.000 0.262 334 E C -0.835 175.774 176.600 0.014 0.000 1.004 334 E CA -0.008 56.399 56.400 0.012 0.000 0.928 334 E CB 0.542 30.247 29.700 0.009 0.000 0.937 334 E HN 0.467 nan 8.360 nan 0.000 0.446 335 A N 2.739 125.568 122.820 0.014 0.000 2.588 335 A HA 0.588 4.908 4.320 -0.000 0.000 0.290 335 A C -1.458 176.136 177.584 0.017 0.000 1.136 335 A CA -0.693 51.354 52.037 0.017 0.000 0.681 335 A CB 1.539 20.552 19.000 0.021 0.000 1.282 335 A HN 0.358 nan 8.150 nan 0.000 0.421 336 V N 0.622 120.548 119.914 0.020 0.000 2.555 336 V HA 0.667 4.787 4.120 -0.000 0.000 0.302 336 V C 0.684 176.795 176.094 0.028 0.000 1.038 336 V CA -0.273 62.041 62.300 0.024 0.000 0.887 336 V CB 1.425 33.263 31.823 0.025 0.000 0.991 336 V HN 1.450 nan 8.190 nan 0.000 0.434 337 A N 5.736 128.576 122.820 0.034 0.000 2.440 337 A HA 0.604 4.924 4.320 -0.000 0.000 0.251 337 A C -0.287 177.325 177.584 0.047 0.000 1.089 337 A CA -0.153 51.906 52.037 0.038 0.000 0.779 337 A CB -0.043 18.985 19.000 0.046 0.000 1.022 337 A HN 0.596 nan 8.150 nan 0.000 0.492 338 I N 4.122 124.707 120.570 0.025 0.000 2.392 338 I HA 0.212 4.382 4.170 -0.000 0.000 0.295 338 I C 0.750 176.862 176.117 -0.009 0.000 0.985 338 I CA -0.277 61.027 61.300 0.007 0.000 1.221 338 I CB 1.036 39.007 38.000 -0.048 0.000 1.366 338 I HN 0.849 nan 8.210 nan 0.000 0.467 339 H N 5.901 124.962 119.070 -0.015 0.000 2.562 339 H HA 0.292 4.847 4.556 -0.000 0.000 0.352 339 H C -0.355 174.958 175.328 -0.025 0.000 1.125 339 H CA -0.390 55.640 56.048 -0.029 0.000 1.379 339 H CB 1.672 31.429 29.762 -0.009 0.000 1.464 339 H HN 0.505 nan 8.280 nan 0.000 0.563 340 Q N 1.461 121.255 119.800 -0.010 0.000 2.392 340 Q HA 0.089 4.429 4.340 -0.000 0.000 0.219 340 Q C 0.395 176.443 176.000 0.080 0.000 0.895 340 Q CA 0.505 56.297 55.803 -0.018 0.000 0.929 340 Q CB 0.846 29.555 28.738 -0.049 0.000 1.077 340 Q HN 0.757 nan 8.270 nan 0.000 0.532 341 R N -0.796 119.801 120.500 0.160 0.000 2.795 341 R HA 0.544 4.884 4.340 -0.000 0.000 0.275 341 R C 0.376 176.793 176.300 0.194 0.000 0.981 341 R CA -0.227 55.968 56.100 0.158 0.000 0.917 341 R CB 0.885 31.237 30.300 0.087 0.000 1.202 341 R HN -0.125 nan 8.270 nan 0.000 0.469 342 S N -1.478 114.290 115.700 0.113 0.000 2.666 342 S HA 0.027 4.497 4.470 -0.000 0.000 0.239 342 S C -0.033 174.547 174.600 -0.032 0.000 1.031 342 S CA -0.562 57.642 58.200 0.007 0.000 1.015 342 S CB -0.139 63.090 63.200 0.048 0.000 0.981 342 S HN 0.735 nan 8.310 nan 0.000 0.547 343 D N 1.568 121.963 120.400 -0.008 0.000 2.372 343 D HA 0.174 4.814 4.640 -0.000 0.000 0.243 343 D C 1.287 177.559 176.300 -0.047 0.000 1.121 343 D CA -0.545 53.435 54.000 -0.032 0.000 0.898 343 D CB 1.462 42.253 40.800 -0.015 0.000 1.202 343 D HN 0.001 nan 8.370 nan 0.000 0.428 344 V N 0.585 120.453 119.914 -0.076 0.000 2.407 344 V HA -0.063 4.057 4.120 -0.000 0.000 0.245 344 V C 1.096 177.165 176.094 -0.042 0.000 1.041 344 V CA 0.775 63.033 62.300 -0.070 0.000 1.040 344 V CB 0.079 31.840 31.823 -0.103 0.000 0.671 344 V HN 0.840 nan 8.190 nan 0.000 0.455 345 C N -0.564 118.712 119.300 -0.040 0.000 2.752 345 C HA 0.724 5.184 4.460 -0.000 0.000 0.360 345 C C 0.712 175.701 174.990 -0.002 0.000 1.081 345 C CA -0.276 58.735 59.018 -0.012 0.000 1.272 345 C CB 1.023 28.762 27.740 -0.002 0.000 1.754 345 C HN 0.425 nan 8.230 nan 0.000 0.483 346 A N 4.138 126.962 122.820 0.007 0.000 2.500 346 A HA 0.333 4.653 4.320 -0.000 0.000 0.267 346 A C 1.265 178.858 177.584 0.015 0.000 1.290 346 A CA 0.385 52.429 52.037 0.013 0.000 0.928 346 A CB -0.044 18.964 19.000 0.014 0.000 1.066 346 A HN 0.874 nan 8.150 nan 0.000 0.516 347 V N 0.965 120.889 119.914 0.016 0.000 2.295 347 V HA -0.154 3.965 4.120 -0.000 0.000 0.246 347 V C -0.182 175.924 176.094 0.020 0.000 1.049 347 V CA 2.635 64.944 62.300 0.015 0.000 1.024 347 V CB -1.267 30.565 31.823 0.015 0.000 0.648 347 V HN 0.374 nan 8.190 nan 0.000 0.447 348 P HA -0.166 nan 4.420 nan 0.000 0.215 348 P C 1.708 179.024 177.300 0.027 0.000 1.157 348 P CA 2.141 65.262 63.100 0.035 0.000 0.868 348 P CB -0.169 31.562 31.700 0.050 0.000 0.788 349 A N -0.113 122.721 122.820 0.025 0.000 1.930 349 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 349 A C 2.316 179.906 177.584 0.010 0.000 1.175 349 A CA 1.932 53.979 52.037 0.017 0.000 0.627 349 A CB -1.609 17.401 19.000 0.016 0.000 0.815 349 A HN 0.182 nan 8.150 nan 0.000 0.443 350 A N -0.314 122.511 122.820 0.010 0.000 1.978 350 A HA 0.076 4.396 4.320 -0.000 0.000 0.220 350 A C 2.382 179.968 177.584 0.003 0.000 1.170 350 A CA 1.919 53.958 52.037 0.005 0.000 0.636 350 A CB -1.381 17.622 19.000 0.004 0.000 0.810 350 A HN 0.752 nan 8.150 nan 0.000 0.448 351 G N -0.483 108.321 108.800 0.007 0.000 2.442 351 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.219 351 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.219 351 G C 1.478 176.381 174.900 0.006 0.000 1.141 351 G CA 1.287 46.392 45.100 0.007 0.000 0.763 351 G HN 0.351 nan 8.290 nan 0.000 0.554 352 V N 0.420 120.337 119.914 0.005 0.000 2.407 352 V HA -0.150 3.970 4.120 -0.000 0.000 0.248 352 V C 2.979 179.065 176.094 -0.013 0.000 1.055 352 V CA 1.431 63.730 62.300 -0.002 0.000 1.049 352 V CB -0.162 31.661 31.823 -0.000 0.000 0.662 352 V HN 0.269 nan 8.190 nan 0.000 0.455 353 V N -0.496 119.410 119.914 -0.013 0.000 2.453 353 V HA -0.156 3.964 4.120 -0.000 0.000 0.247 353 V C 2.402 178.481 176.094 -0.026 0.000 1.048 353 V CA 1.483 63.770 62.300 -0.022 0.000 1.049 353 V CB -0.212 31.602 31.823 -0.015 0.000 0.672 353 V HN 0.407 nan 8.190 nan 0.000 0.457 354 V N 0.211 120.117 119.914 -0.014 0.000 2.332 354 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 354 V C 2.424 178.507 176.094 -0.018 0.000 1.055 354 V CA 2.126 64.419 62.300 -0.011 0.000 1.038 354 V CB -0.750 31.073 31.823 0.000 0.000 0.651 354 V HN 0.623 nan 8.190 nan 0.000 0.450 355 E N -0.182 120.009 120.200 -0.016 0.000 2.070 355 E HA -0.240 4.110 4.350 -0.000 0.000 0.197 355 E C 2.324 178.896 176.600 -0.047 0.000 1.004 355 E CA 1.900 58.288 56.400 -0.020 0.000 0.805 355 E CB -0.379 29.313 29.700 -0.013 0.000 0.744 355 E HN 0.527 nan 8.360 nan 0.000 0.451 356 T N 0.653 115.169 114.554 -0.063 0.000 2.746 356 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 356 T C 1.728 176.326 174.700 -0.169 0.000 1.039 356 T CA 1.118 63.154 62.100 -0.107 0.000 1.142 356 T CB -0.014 68.795 68.868 -0.099 0.000 0.866 356 T HN 0.059 nan 8.240 nan 0.000 0.444 357 M N 0.580 120.098 119.600 -0.136 0.000 2.200 357 M HA 0.033 4.513 4.480 -0.000 0.000 0.265 357 M C 2.445 178.665 176.300 -0.132 0.000 1.066 357 M CA 0.875 56.078 55.300 -0.162 0.000 1.127 357 M CB -1.407 31.153 32.600 -0.067 0.000 1.379 357 M HN 0.126 nan 8.290 nan 0.000 0.420 358 V N 0.777 120.649 119.914 -0.071 0.000 2.295 358 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 358 V C 2.735 178.797 176.094 -0.055 0.000 1.049 358 V CA 1.919 64.198 62.300 -0.036 0.000 1.024 358 V CB -1.396 30.422 31.823 -0.008 0.000 0.648 358 V HN 0.480 nan 8.190 nan 0.000 0.447 359 A N -0.364 122.408 122.820 -0.080 0.000 1.908 359 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 359 A C 2.229 179.735 177.584 -0.130 0.000 1.181 359 A CA 1.966 53.960 52.037 -0.071 0.000 0.627 359 A CB -0.576 18.383 19.000 -0.068 0.000 0.818 359 A HN 0.501 nan 8.150 nan 0.000 0.445 360 L N -0.702 120.331 121.223 -0.317 0.000 2.017 360 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 360 L C 2.571 179.244 176.870 -0.328 0.000 1.073 360 L CA 1.278 55.744 54.840 -0.623 0.000 0.745 360 L CB -0.557 40.620 42.059 -1.470 0.000 0.894 360 L HN 0.256 nan 8.230 nan 0.000 0.432 361 V N 0.019 119.849 119.914 -0.141 0.000 2.343 361 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 361 V C 2.368 178.527 176.094 0.109 0.000 1.051 361 V CA 1.684 64.059 62.300 0.125 0.000 1.036 361 V CB -0.386 31.509 31.823 0.119 0.000 0.654 361 V HN 0.340 nan 8.190 nan 0.000 0.451 362 L N 0.025 121.287 121.223 0.064 0.000 2.046 362 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 362 L C 2.736 179.696 176.870 0.150 0.000 1.077 362 L CA 1.557 56.456 54.840 0.098 0.000 0.747 362 L CB -0.836 41.272 42.059 0.083 0.000 0.896 362 L HN 0.360 nan 8.230 nan 0.000 0.432 363 A N 0.078 122.984 122.820 0.144 0.000 1.902 363 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 363 A C 2.445 180.081 177.584 0.086 0.000 1.181 363 A CA 1.759 53.911 52.037 0.191 0.000 0.623 363 A CB -0.577 18.487 19.000 0.108 0.000 0.818 363 A HN 0.342 nan 8.150 nan 0.000 0.443 364 R N -0.413 120.162 120.500 0.125 0.000 2.073 364 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 364 R C 2.278 178.625 176.300 0.077 0.000 1.134 364 R CA 1.507 57.685 56.100 0.131 0.000 0.952 364 R CB -0.391 30.073 30.300 0.273 0.000 0.850 364 R HN 0.441 nan 8.270 nan 0.000 0.433 365 A N 0.505 123.380 122.820 0.093 0.000 1.930 365 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 365 A C 2.311 179.907 177.584 0.020 0.000 1.175 365 A CA 1.480 53.543 52.037 0.042 0.000 0.627 365 A CB -0.632 18.398 19.000 0.050 0.000 0.815 365 A HN 0.536 nan 8.150 nan 0.000 0.443 366 A N -0.188 122.713 122.820 0.135 0.000 1.902 366 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 366 A C 2.133 179.864 177.584 0.245 0.000 1.181 366 A CA 1.465 53.663 52.037 0.268 0.000 0.623 366 A CB -0.579 18.732 19.000 0.518 0.000 0.818 366 A HN 0.461 nan 8.150 nan 0.000 0.443 367 L N -0.703 120.608 121.223 0.147 0.000 2.141 367 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 367 L C 2.561 179.430 176.870 -0.001 0.000 1.094 367 L CA 1.223 56.101 54.840 0.063 0.000 0.763 367 L CB -0.507 41.497 42.059 -0.091 0.000 0.908 367 L HN 0.473 nan 8.230 nan 0.000 0.437 368 E N 0.212 120.386 120.200 -0.045 0.000 2.058 368 E HA -0.289 4.061 4.350 -0.000 0.000 0.194 368 E C 2.119 178.616 176.600 -0.171 0.000 0.997 368 E CA 1.437 57.780 56.400 -0.096 0.000 0.801 368 E CB 0.014 29.656 29.700 -0.098 0.000 0.746 368 E HN 0.361 nan 8.360 nan 0.000 0.450 369 K N -0.016 120.207 120.400 -0.296 0.000 2.044 369 K HA -0.070 4.250 4.320 -0.000 0.000 0.204 369 K C 1.615 177.917 176.600 -0.496 0.000 1.049 369 K CA 0.949 56.913 56.287 -0.537 0.000 0.945 369 K CB 0.052 31.986 32.500 -0.943 0.000 0.724 369 K HN -0.017 nan 8.250 nan 0.000 0.440 370 F N 0.747 120.667 119.950 -0.050 0.000 2.698 370 F HA 0.283 4.810 4.527 0.000 0.000 0.295 370 F C 1.485 177.289 175.800 0.006 0.000 1.124 370 F CA 0.448 58.436 58.000 -0.021 0.000 1.426 370 F CB -0.219 38.795 39.000 0.023 0.000 1.120 370 F HN 0.313 nan 8.300 nan 0.000 0.583 371 G N 0.382 109.258 108.800 0.127 0.000 2.578 371 G HA2 0.182 4.142 3.960 -0.000 0.000 0.275 371 G HA3 0.182 4.142 3.960 -0.000 0.000 0.275 371 G C 0.393 175.357 174.900 0.107 0.000 1.271 371 G CA 0.058 45.205 45.100 0.078 0.000 0.941 371 G HN 1.351 nan 8.290 nan 0.000 0.564 372 G N -2.311 106.532 108.800 0.071 0.000 2.692 372 G HA2 0.270 4.230 3.960 -0.000 0.000 0.686 372 G HA3 0.270 4.230 3.960 -0.000 0.000 0.686 372 G C -0.039 174.889 174.900 0.047 0.000 1.243 372 G CA 0.717 45.858 45.100 0.068 0.000 0.782 372 G HN 1.209 nan 8.290 nan 0.000 0.625 373 D N -0.523 119.900 120.400 0.039 0.000 2.423 373 D HA 0.195 4.835 4.640 -0.000 0.000 0.208 373 D C 1.506 177.828 176.300 0.037 0.000 1.068 373 D CA 1.267 55.284 54.000 0.027 0.000 0.860 373 D CB 0.698 41.509 40.800 0.019 0.000 0.992 373 D HN 0.879 nan 8.370 nan 0.000 0.504 374 S N -0.163 115.567 115.700 0.050 0.000 2.599 374 S HA 0.296 4.766 4.470 -0.000 0.000 0.294 374 S C 0.753 175.399 174.600 0.077 0.000 1.094 374 S CA -0.742 57.492 58.200 0.057 0.000 0.931 374 S CB 2.513 65.739 63.200 0.044 0.000 1.093 374 S HN -0.094 nan 8.310 nan 0.000 0.488 375 L N 2.131 123.403 121.223 0.082 0.000 2.043 375 L HA 0.028 4.368 4.340 -0.000 0.000 0.212 375 L C 2.607 179.495 176.870 0.029 0.000 1.075 375 L CA 2.714 57.601 54.840 0.079 0.000 0.752 375 L CB -1.406 40.671 42.059 0.029 0.000 0.891 375 L HN 0.989 nan 8.230 nan 0.000 0.432 376 A N -1.046 121.784 122.820 0.016 0.000 1.933 376 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 376 A C 2.325 179.916 177.584 0.011 0.000 1.175 376 A CA 1.827 53.865 52.037 0.003 0.000 0.628 376 A CB -0.692 18.312 19.000 0.008 0.000 0.814 376 A HN 0.652 nan 8.150 nan 0.000 0.444 377 E N -0.684 119.534 120.200 0.030 0.000 2.028 377 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 377 E C 1.994 178.622 176.600 0.048 0.000 0.988 377 E CA 1.675 58.097 56.400 0.038 0.000 0.799 377 E CB -0.195 29.531 29.700 0.044 0.000 0.755 377 E HN 0.540 nan 8.360 nan 0.000 0.447 378 T N 1.042 115.639 114.554 0.073 0.000 2.720 378 T HA -0.216 4.134 4.350 -0.000 0.000 0.268 378 T C 1.858 176.554 174.700 -0.007 0.000 1.037 378 T CA 1.657 63.815 62.100 0.096 0.000 1.144 378 T CB -0.256 68.734 68.868 0.205 0.000 0.864 378 T HN 0.279 nan 8.240 nan 0.000 0.444 379 Q N 0.301 120.077 119.800 -0.040 0.000 2.124 379 Q HA -0.029 4.311 4.340 -0.000 0.000 0.202 379 Q C 2.676 178.628 176.000 -0.081 0.000 0.977 379 Q CA 1.094 56.837 55.803 -0.101 0.000 0.850 379 Q CB -0.125 28.559 28.738 -0.090 0.000 0.901 379 Q HN 0.451 nan 8.270 nan 0.000 0.429 380 R N 0.352 120.833 120.500 -0.033 0.000 2.081 380 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 380 R C 1.857 178.159 176.300 0.003 0.000 1.131 380 R CA 1.294 57.386 56.100 -0.012 0.000 0.960 380 R CB -0.166 30.139 30.300 0.007 0.000 0.856 380 R HN 0.293 nan 8.270 nan 0.000 0.436 381 N N 0.830 119.543 118.700 0.021 0.000 2.142 381 N HA -0.111 4.629 4.740 -0.000 0.000 0.186 381 N C 1.860 177.404 175.510 0.056 0.000 1.023 381 N CA 1.119 54.220 53.050 0.085 0.000 0.852 381 N CB -0.228 38.350 38.487 0.153 0.000 0.998 381 N HN 0.191 nan 8.380 nan 0.000 0.424 382 I N 1.131 121.580 120.570 -0.201 0.000 2.163 382 I HA -0.270 3.900 4.170 -0.000 0.000 0.243 382 I C 2.290 178.330 176.117 -0.128 0.000 1.085 382 I CA 1.241 62.247 61.300 -0.490 0.000 1.347 382 I CB -0.336 37.251 38.000 -0.689 0.000 1.044 382 I HN 0.078 nan 8.210 nan 0.000 0.408 383 A N 0.613 123.380 122.820 -0.090 0.000 1.908 383 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 383 A C 2.523 180.113 177.584 0.011 0.000 1.181 383 A CA 1.988 54.001 52.037 -0.039 0.000 0.627 383 A CB -0.900 18.076 19.000 -0.040 0.000 0.818 383 A HN 0.454 nan 8.150 nan 0.000 0.445 384 A N -1.563 121.285 122.820 0.047 0.000 1.902 384 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 384 A C 2.148 179.807 177.584 0.125 0.000 1.181 384 A CA 1.670 53.752 52.037 0.075 0.000 0.623 384 A CB -0.795 18.257 19.000 0.086 0.000 0.818 384 A HN 0.755 nan 8.150 nan 0.000 0.443 385 Y N 0.574 120.916 120.300 0.071 0.000 2.181 385 Y HA -0.225 4.325 4.550 0.000 0.000 0.288 385 Y C 2.456 178.403 175.900 0.078 0.000 1.146 385 Y CA 2.245 60.417 58.100 0.121 0.000 1.164 385 Y CB -0.497 38.136 38.460 0.290 0.000 0.982 385 Y HN 0.437 nan 8.280 nan 0.000 0.515 386 Q N -0.235 119.557 119.800 -0.013 0.000 2.084 386 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 386 Q C 2.386 178.310 176.000 -0.126 0.000 0.978 386 Q CA 1.643 57.374 55.803 -0.119 0.000 0.844 386 Q CB -0.185 28.532 28.738 -0.035 0.000 0.898 386 Q HN 0.475 nan 8.270 nan 0.000 0.426 387 R N 0.189 120.648 120.500 -0.068 0.000 2.081 387 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 387 R C 2.692 178.950 176.300 -0.070 0.000 1.131 387 R CA 1.593 57.660 56.100 -0.054 0.000 0.960 387 R CB -0.342 29.944 30.300 -0.023 0.000 0.856 387 R HN 0.287 nan 8.270 nan 0.000 0.436 388 S N 0.212 115.863 115.700 -0.081 0.000 2.382 388 S HA -0.094 4.376 4.470 -0.000 0.000 0.228 388 S C 2.107 176.628 174.600 -0.133 0.000 1.027 388 S CA 1.319 59.472 58.200 -0.079 0.000 0.991 388 S CB -0.401 62.779 63.200 -0.034 0.000 0.823 388 S HN 0.070 nan 8.310 nan 0.000 0.469 389 V N 2.347 122.112 119.914 -0.248 0.000 2.379 389 V HA -0.006 4.114 4.120 -0.000 0.000 0.245 389 V C 3.177 179.195 176.094 -0.127 0.000 1.044 389 V CA 1.509 63.669 62.300 -0.234 0.000 1.036 389 V CB -1.442 30.158 31.823 -0.371 0.000 0.664 389 V HN 0.674 nan 8.190 nan 0.000 0.453 390 A N -0.065 122.689 122.820 -0.110 0.000 1.933 390 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 390 A C 1.861 179.415 177.584 -0.048 0.000 1.175 390 A CA 1.984 53.981 52.037 -0.066 0.000 0.628 390 A CB -0.597 18.370 19.000 -0.055 0.000 0.814 390 A HN 0.524 nan 8.150 nan 0.000 0.444 391 D N -0.319 120.052 120.400 -0.049 0.000 2.378 391 D HA 0.002 4.642 4.640 -0.000 0.000 0.222 391 D C 1.127 177.410 176.300 -0.028 0.000 0.980 391 D CA 0.381 54.361 54.000 -0.032 0.000 0.907 391 D CB -0.094 40.690 40.800 -0.027 0.000 0.899 391 D HN 0.471 nan 8.370 nan 0.000 0.527 392 R N 0.000 120.478 120.500 -0.036 0.000 2.786 392 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 392 R CA 0.000 56.084 56.100 -0.027 0.000 0.921 392 R CB 0.000 30.281 30.300 -0.032 0.000 0.687 392 R HN 0.000 nan 8.270 nan 0.000 0.535