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 2cv6_1_A DATA FIRST_RESID 7 DATA SEQUENCE SVSRGKNNPF YFNSDRWFHT LFRNQFGHLR VLQRFDQRSK QMQNLENYRV DATA SEQUENCE VEFNSKPNTL LLPHHADADF LLVVLNGRAV LTLVNPDGRD SNILEQGHAQ DATA SEQUENCE KIPAGTTFFL VNPDDEENLR IIKLAVPVNN PHRFQDFFLS STEAQQSYLQ DATA SEQUENCE GFSKNILEAS FDSDIKEISR VLFGXXXXXX XXXXXSQQEG VIVELKREQI DATA SEQUENCE RELTKHAXXX XXXXXXXXDQ PFNLRNQKPI YSNKLGRWFE ITPEKNPQLR DATA SEQUENCE DLDMFIRSVD MKEGSLLLPH YNSKAIVILV INEGKANIEL VGQREXXXXX DATA SEQUENCE XXXXESWEVQ RYRAELSEDD VFIIPATYPV AINATSNLNF FAFGINAENN DATA SEQUENCE QRNFLAGEKD NVISEIPTEV LDVTFPASGE KVQKLIKKQS ESQFVDA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 S HA 0.000 nan 4.470 nan 0.000 0.327 7 S C 0.000 174.541 174.600 -0.098 0.000 1.055 7 S CA 0.000 58.162 58.200 -0.063 0.000 1.107 7 S CB 0.000 63.168 63.200 -0.054 0.000 0.593 8 V N 0.009 119.881 119.914 -0.070 0.000 2.284 8 V HA 0.665 4.786 4.120 0.001 0.000 0.274 8 V C -0.072 176.000 176.094 -0.037 0.000 1.023 8 V CA -0.510 61.748 62.300 -0.070 0.000 0.808 8 V CB 0.745 32.551 31.823 -0.028 0.000 1.035 8 V HN 0.681 nan 8.190 nan 0.000 0.445 9 S N 5.919 121.579 115.700 -0.066 0.000 2.498 9 S HA 0.441 4.911 4.470 0.001 0.000 0.281 9 S C 0.234 174.921 174.600 0.144 0.000 1.265 9 S CA -0.254 57.986 58.200 0.066 0.000 1.071 9 S CB 0.122 63.427 63.200 0.176 0.000 0.894 9 S HN 0.816 nan 8.310 nan 0.000 0.491 10 R N 1.650 122.219 120.500 0.114 0.000 2.778 10 R HA 0.549 4.890 4.340 0.001 0.000 0.277 10 R C 1.468 177.836 176.300 0.112 0.000 0.977 10 R CA -0.457 55.705 56.100 0.102 0.000 0.950 10 R CB 0.983 31.314 30.300 0.051 0.000 1.165 10 R HN 0.758 nan 8.270 nan 0.000 0.474 11 G N 2.338 111.180 108.800 0.070 0.000 2.990 11 G HA2 -0.471 3.490 3.960 0.001 0.000 0.359 11 G HA3 -0.471 3.490 3.960 0.001 0.000 0.359 11 G C 0.984 176.025 174.900 0.236 0.000 0.951 11 G CA 1.488 46.648 45.100 0.100 0.000 0.794 11 G HN 0.703 nan 8.290 nan 0.000 0.982 12 K N 0.863 121.383 120.400 0.200 0.000 2.081 12 K HA -0.314 4.007 4.320 0.001 0.000 0.222 12 K C 2.117 178.813 176.600 0.159 0.000 1.055 12 K CA 2.367 58.766 56.287 0.186 0.000 0.954 12 K CB -0.442 32.131 32.500 0.122 0.000 0.732 12 K HN 0.752 nan 8.250 nan 0.000 0.458 13 N N 0.135 118.911 118.700 0.126 0.000 2.322 13 N HA -0.064 4.677 4.740 0.001 0.000 0.194 13 N C -0.012 175.565 175.510 0.112 0.000 1.126 13 N CA -0.073 53.037 53.050 0.100 0.000 0.845 13 N CB 0.083 38.620 38.487 0.084 0.000 0.976 13 N HN 0.031 nan 8.380 nan 0.000 0.475 14 N N 1.163 119.954 118.700 0.152 0.000 2.430 14 N HA 0.176 4.917 4.740 0.001 0.000 0.265 14 N C -1.784 173.687 175.510 -0.064 0.000 1.100 14 N CA -1.796 51.370 53.050 0.193 0.000 0.961 14 N CB 1.471 40.151 38.487 0.322 0.000 1.075 14 N HN -0.022 nan 8.380 nan 0.000 0.478 15 P HA 0.019 nan 4.420 nan 0.000 0.219 15 P C 0.582 177.370 177.300 -0.854 0.000 1.150 15 P CA 1.139 63.825 63.100 -0.690 0.000 0.814 15 P CB 0.046 31.210 31.700 -0.893 0.000 0.787 16 F N -3.077 116.625 119.950 -0.413 0.000 2.710 16 F HA 0.079 4.608 4.527 0.003 0.000 0.298 16 F C 1.198 176.673 175.800 -0.542 0.000 1.137 16 F CA -0.201 57.477 58.000 -0.538 0.000 1.444 16 F CB -0.942 37.540 39.000 -0.864 0.000 1.111 16 F HN -0.132 nan 8.300 nan 0.000 0.580 17 Y N 0.519 120.651 120.300 -0.281 0.000 2.365 17 Y HA 0.342 4.893 4.550 0.002 0.000 0.340 17 Y C -1.008 174.766 175.900 -0.210 0.000 1.016 17 Y CA -0.921 57.199 58.100 0.034 0.000 1.196 17 Y CB 0.178 38.782 38.460 0.239 0.000 1.167 17 Y HN -0.106 nan 8.280 nan 0.000 0.509 18 F N 6.505 126.090 119.950 -0.610 0.000 2.363 18 F HA 0.196 4.721 4.527 -0.003 0.000 0.366 18 F C 0.182 175.690 175.800 -0.487 0.000 1.083 18 F CA -0.866 56.758 58.000 -0.627 0.000 1.176 18 F CB 0.298 39.051 39.000 -0.412 0.000 1.432 18 F HN 0.578 nan 8.300 nan 0.000 0.482 19 N N 1.622 120.115 118.700 -0.345 0.000 2.454 19 N HA -0.044 4.697 4.740 0.001 0.000 0.260 19 N C 0.946 176.614 175.510 0.263 0.000 1.218 19 N CA 0.433 53.451 53.050 -0.053 0.000 0.904 19 N CB 1.141 39.723 38.487 0.158 0.000 1.065 19 N HN 0.498 nan 8.380 nan 0.000 0.462 20 S N 2.323 118.192 115.700 0.281 0.000 2.482 20 S HA -0.238 4.232 4.470 0.001 0.000 0.226 20 S C 0.158 174.959 174.600 0.335 0.000 1.048 20 S CA 1.726 60.175 58.200 0.415 0.000 1.158 20 S CB -0.511 62.884 63.200 0.325 0.000 1.130 20 S HN 0.868 nan 8.310 nan 0.000 0.413 21 D N 0.955 121.470 120.400 0.193 0.000 2.736 21 D HA 0.252 4.893 4.640 0.001 0.000 0.228 21 D C 0.575 176.888 176.300 0.021 0.000 1.077 21 D CA 0.068 54.127 54.000 0.099 0.000 1.096 21 D CB 0.155 40.988 40.800 0.055 0.000 1.138 21 D HN 0.286 nan 8.370 nan 0.000 0.461 22 R N -0.157 120.333 120.500 -0.018 0.000 2.305 22 R HA 0.056 4.397 4.340 0.001 0.000 0.040 22 R C -0.152 175.891 176.300 -0.429 0.000 0.818 22 R CA 0.121 56.048 56.100 -0.289 0.000 3.145 22 R CB -0.991 29.053 30.300 -0.427 0.000 1.118 22 R HN 0.239 nan 8.270 nan 0.000 0.538 23 W N 0.010 121.324 121.300 0.023 0.000 2.996 23 W HA 0.470 5.130 4.660 -0.001 0.000 0.270 23 W C 0.043 176.528 176.519 -0.056 0.000 1.280 23 W CA -0.440 56.894 57.345 -0.019 0.000 1.549 23 W CB 0.309 29.773 29.460 0.007 0.000 1.079 23 W HN -0.199 nan 8.180 nan 0.000 0.629 24 F N 0.458 120.542 119.950 0.224 0.000 2.371 24 F HA 0.208 4.737 4.527 0.004 0.000 0.329 24 F C 0.488 176.377 175.800 0.148 0.000 1.107 24 F CA -0.450 57.646 58.000 0.161 0.000 1.137 24 F CB 0.627 39.683 39.000 0.094 0.000 1.214 24 F HN -0.252 nan 8.300 nan 0.000 0.536 25 H N 1.048 120.295 119.070 0.295 0.000 2.646 25 H HA 0.323 4.881 4.556 0.003 0.000 0.328 25 H C -0.887 174.530 175.328 0.148 0.000 0.998 25 H CA -0.808 55.331 56.048 0.151 0.000 1.225 25 H CB 0.927 30.749 29.762 0.099 0.000 1.457 25 H HN 0.470 nan 8.280 nan 0.000 0.505 26 T N 6.871 121.263 114.554 -0.270 0.000 2.814 26 T HA 0.121 4.471 4.350 0.001 0.000 0.297 26 T C 1.566 175.979 174.700 -0.477 0.000 0.956 26 T CA -0.283 61.651 62.100 -0.276 0.000 1.123 26 T CB 0.455 69.221 68.868 -0.171 0.000 0.902 26 T HN 0.639 nan 8.240 nan 0.000 0.528 27 L N 2.259 123.358 121.223 -0.207 0.000 2.463 27 L HA 0.447 4.788 4.340 0.001 0.000 0.219 27 L C -0.001 176.938 176.870 0.115 0.000 1.088 27 L CA 0.341 55.131 54.840 -0.084 0.000 0.849 27 L CB 0.295 42.386 42.059 0.054 0.000 1.012 27 L HN 0.546 nan 8.230 nan 0.000 0.468 28 F N -0.226 119.691 119.950 -0.055 0.000 2.688 28 F HA 0.535 5.062 4.527 0.000 0.000 0.308 28 F C -1.053 174.742 175.800 -0.010 0.000 1.117 28 F CA -0.912 57.065 58.000 -0.038 0.000 0.976 28 F CB 1.241 40.220 39.000 -0.035 0.000 1.291 28 F HN -0.266 nan 8.300 nan 0.000 0.439 29 R N 4.026 123.942 120.500 -0.972 0.000 2.633 29 R HA 0.502 4.843 4.340 0.001 0.000 0.255 29 R C -2.013 173.878 176.300 -0.681 0.000 1.106 29 R CA -0.449 55.316 56.100 -0.559 0.000 0.959 29 R CB 1.569 31.709 30.300 -0.266 0.000 1.259 29 R HN 0.988 nan 8.270 nan 0.000 0.453 30 N N 0.686 119.161 118.700 -0.374 0.000 3.517 30 N HA 0.048 4.789 4.740 0.001 0.000 0.329 30 N C -0.216 175.151 175.510 -0.237 0.000 1.569 30 N CA -0.678 52.210 53.050 -0.269 0.000 0.852 30 N CB 0.297 38.691 38.487 -0.155 0.000 1.955 30 N HN 0.365 nan 8.380 nan 0.000 0.555 31 Q N -0.838 118.747 119.800 -0.358 0.000 2.291 31 Q HA 0.086 4.426 4.340 0.001 0.000 0.206 31 Q C 0.230 175.748 176.000 -0.804 0.000 0.976 31 Q CA 1.476 56.887 55.803 -0.655 0.000 0.875 31 Q CB -0.410 27.741 28.738 -0.977 0.000 0.927 31 Q HN 0.688 nan 8.270 nan 0.000 0.450 32 F N -1.180 118.752 119.950 -0.030 0.000 2.682 32 F HA 0.450 4.978 4.527 0.001 0.000 0.308 32 F C 1.070 176.813 175.800 -0.094 0.000 1.093 32 F CA 0.094 58.072 58.000 -0.036 0.000 1.244 32 F CB 1.116 40.118 39.000 0.004 0.000 1.052 32 F HN -0.060 nan 8.300 nan 0.000 0.573 33 G N -0.291 108.494 108.800 -0.026 0.000 2.321 33 G HA2 0.427 4.388 3.960 0.001 0.000 0.298 33 G HA3 0.427 4.388 3.960 0.001 0.000 0.298 33 G C -2.249 172.561 174.900 -0.151 0.000 1.385 33 G CA -0.900 44.071 45.100 -0.214 0.000 0.856 33 G HN 0.279 nan 8.290 nan 0.000 0.584 34 H N -1.654 117.296 119.070 -0.200 0.000 3.012 34 H HA 0.828 5.384 4.556 0.001 0.000 0.367 34 H C -1.718 173.563 175.328 -0.078 0.000 1.211 34 H CA -1.300 54.681 56.048 -0.112 0.000 1.139 34 H CB 1.819 31.492 29.762 -0.148 0.000 1.838 34 H HN 0.641 nan 8.280 nan 0.000 0.550 35 L N 3.165 124.576 121.223 0.313 0.000 2.406 35 L HA 0.549 4.890 4.340 0.001 0.000 0.270 35 L C -0.875 176.130 176.870 0.225 0.000 0.982 35 L CA -0.667 54.377 54.840 0.339 0.000 0.843 35 L CB 0.870 43.174 42.059 0.409 0.000 1.225 35 L HN 0.960 nan 8.230 nan 0.000 0.412 36 R N 3.432 124.037 120.500 0.174 0.000 2.807 36 R HA 0.805 5.146 4.340 0.001 0.000 0.276 36 R C -1.837 174.646 176.300 0.304 0.000 0.979 36 R CA -0.848 55.317 56.100 0.108 0.000 0.928 36 R CB 2.228 32.488 30.300 -0.065 0.000 1.191 36 R HN 0.239 nan 8.270 nan 0.000 0.471 37 V N 2.990 123.149 119.914 0.408 0.000 2.495 37 V HA 0.262 4.382 4.120 0.001 0.000 0.298 37 V C -0.081 176.270 176.094 0.428 0.000 1.031 37 V CA -1.068 61.512 62.300 0.467 0.000 0.871 37 V CB 1.563 33.580 31.823 0.323 0.000 0.988 37 V HN 0.662 nan 8.190 nan 0.000 0.432 38 L N 3.762 125.073 121.223 0.147 0.000 2.467 38 L HA 0.322 4.663 4.340 0.001 0.000 0.270 38 L C 0.419 177.154 176.870 -0.225 0.000 1.205 38 L CA 0.616 55.185 54.840 -0.452 0.000 0.828 38 L CB 0.708 42.323 42.059 -0.741 0.000 1.101 38 L HN 0.763 nan 8.230 nan 0.000 0.479 39 Q N 1.693 121.386 119.800 -0.178 0.000 2.382 39 Q HA 0.276 4.617 4.340 0.001 0.000 0.229 39 Q C -0.465 175.360 176.000 -0.291 0.000 1.006 39 Q CA 0.008 55.776 55.803 -0.057 0.000 0.916 39 Q CB 0.646 29.523 28.738 0.233 0.000 1.235 39 Q HN 0.512 nan 8.270 nan 0.000 0.512 40 R N 1.615 122.019 120.500 -0.160 0.000 2.522 40 R HA -0.025 4.316 4.340 0.001 0.000 0.284 40 R C 0.346 176.544 176.300 -0.170 0.000 1.032 40 R CA -0.059 55.934 56.100 -0.178 0.000 1.049 40 R CB 0.244 30.514 30.300 -0.051 0.000 0.956 40 R HN 0.600 nan 8.270 nan 0.000 0.422 41 F N 1.969 121.897 119.950 -0.037 0.000 2.039 41 F HA -0.217 4.307 4.527 -0.004 0.000 0.294 41 F C 2.342 178.134 175.800 -0.014 0.000 1.130 41 F CA 1.679 59.661 58.000 -0.030 0.000 1.189 41 F CB -0.503 38.449 39.000 -0.079 0.000 0.983 41 F HN 0.629 nan 8.300 nan 0.000 0.471 42 D N 0.219 120.738 120.400 0.198 0.000 2.280 42 D HA -0.229 4.412 4.640 0.001 0.000 0.206 42 D C 1.613 177.920 176.300 0.012 0.000 0.988 42 D CA 1.167 55.215 54.000 0.080 0.000 0.886 42 D CB -0.763 40.075 40.800 0.063 0.000 0.914 42 D HN 0.413 nan 8.370 nan 0.000 0.473 43 Q N 0.486 120.285 119.800 -0.001 0.000 2.061 43 Q HA -0.111 4.230 4.340 0.001 0.000 0.204 43 Q C 2.397 178.374 176.000 -0.039 0.000 0.984 43 Q CA 1.177 56.964 55.803 -0.028 0.000 0.846 43 Q CB -0.270 28.459 28.738 -0.016 0.000 0.902 43 Q HN 0.519 nan 8.270 nan 0.000 0.421 44 R N -0.033 120.429 120.500 -0.064 0.000 2.148 44 R HA 0.061 4.402 4.340 0.001 0.000 0.223 44 R C 0.879 177.084 176.300 -0.158 0.000 1.088 44 R CA 0.566 56.578 56.100 -0.148 0.000 0.985 44 R CB 0.258 30.372 30.300 -0.310 0.000 0.880 44 R HN -0.021 nan 8.270 nan 0.000 0.451 45 S N -0.688 114.939 115.700 -0.121 0.000 2.583 45 S HA 0.190 4.661 4.470 0.001 0.000 0.294 45 S C -0.620 173.947 174.600 -0.054 0.000 1.121 45 S CA -0.772 57.355 58.200 -0.121 0.000 0.910 45 S CB 1.342 64.386 63.200 -0.260 0.000 1.102 45 S HN -0.094 nan 8.310 nan 0.000 0.451 46 K N 2.285 122.674 120.400 -0.019 0.000 2.519 46 K HA 0.087 4.408 4.320 0.001 0.000 0.196 46 K C 1.694 178.313 176.600 0.031 0.000 1.041 46 K CA 1.042 57.336 56.287 0.012 0.000 0.954 46 K CB -0.083 32.430 32.500 0.021 0.000 0.774 46 K HN 0.598 nan 8.250 nan 0.000 0.480 47 Q N -0.725 119.097 119.800 0.037 0.000 2.482 47 Q HA 0.085 4.426 4.340 0.001 0.000 0.209 47 Q C 0.559 176.592 176.000 0.056 0.000 0.961 47 Q CA 0.648 56.510 55.803 0.097 0.000 0.945 47 Q CB 0.203 29.078 28.738 0.227 0.000 1.012 47 Q HN 0.350 nan 8.270 nan 0.000 0.515 48 M N -0.621 118.990 119.600 0.019 0.000 2.705 48 M HA 0.086 4.566 4.480 0.001 0.000 0.387 48 M C 0.884 177.198 176.300 0.022 0.000 1.204 48 M CA -0.082 55.216 55.300 -0.003 0.000 0.905 48 M CB 0.853 33.449 32.600 -0.007 0.000 1.394 48 M HN -0.046 nan 8.290 nan 0.000 0.515 49 Q N 2.176 121.994 119.800 0.030 0.000 2.077 49 Q HA -0.150 4.190 4.340 0.001 0.000 0.206 49 Q C 0.967 177.006 176.000 0.066 0.000 0.989 49 Q CA 2.163 57.995 55.803 0.048 0.000 0.853 49 Q CB -0.216 28.547 28.738 0.040 0.000 0.907 49 Q HN 0.598 nan 8.270 nan 0.000 0.418 50 N N -0.683 118.045 118.700 0.047 0.000 2.609 50 N HA -0.030 4.711 4.740 0.001 0.000 0.190 50 N C 0.630 176.208 175.510 0.115 0.000 1.157 50 N CA 0.071 53.160 53.050 0.064 0.000 0.918 50 N CB 0.064 38.575 38.487 0.040 0.000 0.978 50 N HN 0.292 nan 8.380 nan 0.000 0.448 51 L N 0.528 121.814 121.223 0.105 0.000 2.585 51 L HA 0.020 4.360 4.340 0.001 0.000 0.226 51 L C 2.246 179.316 176.870 0.333 0.000 1.113 51 L CA 0.201 55.152 54.840 0.185 0.000 0.876 51 L CB -0.144 41.819 42.059 -0.159 0.000 1.072 51 L HN 0.291 nan 8.230 nan 0.000 0.468 52 E N 0.214 120.558 120.200 0.240 0.000 2.219 52 E HA -0.299 4.052 4.350 0.001 0.000 0.198 52 E C 1.178 177.893 176.600 0.191 0.000 0.998 52 E CA 1.839 58.407 56.400 0.280 0.000 0.818 52 E CB -0.323 29.558 29.700 0.302 0.000 0.741 52 E HN 0.441 nan 8.360 nan 0.000 0.477 53 N N -1.007 117.673 118.700 -0.035 0.000 2.461 53 N HA 0.059 4.800 4.740 0.001 0.000 0.188 53 N C -1.033 174.180 175.510 -0.494 0.000 1.134 53 N CA 0.200 53.040 53.050 -0.350 0.000 0.878 53 N CB 0.223 38.368 38.487 -0.569 0.000 0.972 53 N HN 0.178 nan 8.380 nan 0.000 0.456 54 Y N -0.481 119.889 120.300 0.116 0.000 2.485 54 Y HA 0.578 5.130 4.550 0.003 0.000 0.345 54 Y C 0.033 176.038 175.900 0.176 0.000 0.998 54 Y CA -1.092 57.081 58.100 0.123 0.000 1.059 54 Y CB 1.247 39.761 38.460 0.090 0.000 1.234 54 Y HN -0.279 nan 8.280 nan 0.000 0.461 55 R N 1.148 121.829 120.500 0.302 0.000 2.744 55 R HA 0.668 5.009 4.340 0.001 0.000 0.279 55 R C -1.573 174.832 176.300 0.175 0.000 0.977 55 R CA -1.155 55.069 56.100 0.205 0.000 0.906 55 R CB 2.321 32.814 30.300 0.321 0.000 1.197 55 R HN 0.485 nan 8.270 nan 0.000 0.463 56 V N 2.410 122.374 119.914 0.084 0.000 2.472 56 V HA 0.471 4.592 4.120 0.001 0.000 0.290 56 V C -0.144 176.117 176.094 0.278 0.000 1.037 56 V CA -0.672 61.696 62.300 0.114 0.000 0.908 56 V CB 1.953 33.812 31.823 0.060 0.000 0.985 56 V HN 0.404 nan 8.190 nan 0.000 0.454 57 V N 4.336 124.413 119.914 0.271 0.000 2.656 57 V HA 0.531 4.651 4.120 0.001 0.000 0.307 57 V C -0.362 175.883 176.094 0.251 0.000 1.051 57 V CA -0.754 61.735 62.300 0.316 0.000 0.893 57 V CB 2.003 33.965 31.823 0.233 0.000 0.999 57 V HN 0.887 nan 8.190 nan 0.000 0.426 58 E N 2.935 123.258 120.200 0.206 0.000 2.199 58 E HA 0.583 4.934 4.350 0.001 0.000 0.269 58 E C -1.758 174.969 176.600 0.212 0.000 0.899 58 E CA -0.565 55.896 56.400 0.103 0.000 0.772 58 E CB 3.014 32.586 29.700 -0.214 0.000 1.155 58 E HN 0.538 nan 8.360 nan 0.000 0.408 59 F N 3.038 123.004 119.950 0.026 0.000 2.547 59 F HA 0.362 4.890 4.527 0.000 0.000 0.316 59 F C -0.998 174.723 175.800 -0.132 0.000 1.121 59 F CA -0.662 57.329 58.000 -0.015 0.000 0.911 59 F CB 1.393 40.403 39.000 0.016 0.000 1.179 59 F HN 0.296 nan 8.300 nan 0.000 0.443 60 N N 4.007 122.068 118.700 -1.065 0.000 2.296 60 N HA 0.410 5.151 4.740 0.001 0.000 0.294 60 N C -2.026 172.907 175.510 -0.963 0.000 1.033 60 N CA -0.078 52.438 53.050 -0.890 0.000 0.839 60 N CB 2.052 39.828 38.487 -1.185 0.000 1.395 60 N HN 0.587 nan 8.380 nan 0.000 0.479 61 S N 2.524 117.930 115.700 -0.489 0.000 2.677 61 S HA 0.323 4.794 4.470 0.001 0.000 0.283 61 S C -0.716 173.851 174.600 -0.055 0.000 1.159 61 S CA -0.746 57.301 58.200 -0.256 0.000 1.001 61 S CB 0.807 64.009 63.200 0.003 0.000 1.032 61 S HN 0.478 nan 8.310 nan 0.000 0.487 62 K N 4.278 124.686 120.400 0.012 0.000 2.276 62 K HA 0.272 4.592 4.320 0.001 0.000 0.259 62 K C -2.238 174.417 176.600 0.091 0.000 1.001 62 K CA -1.564 54.764 56.287 0.069 0.000 0.927 62 K CB 0.117 32.705 32.500 0.145 0.000 0.969 62 K HN 0.479 nan 8.250 nan 0.000 0.490 63 P HA -0.112 nan 4.420 nan 0.000 0.267 63 P C -0.850 176.485 177.300 0.058 0.000 1.201 63 P CA 0.289 63.426 63.100 0.062 0.000 0.775 63 P CB 0.164 31.894 31.700 0.049 0.000 0.854 64 N N -2.096 116.625 118.700 0.036 0.000 2.727 64 N HA -0.165 4.576 4.740 0.001 0.000 0.249 64 N C 0.054 175.545 175.510 -0.031 0.000 1.048 64 N CA 1.708 54.762 53.050 0.007 0.000 0.714 64 N CB -1.840 36.647 38.487 -0.001 0.000 0.959 64 N HN 0.746 nan 8.380 nan 0.000 0.544 65 T N -3.126 111.427 114.554 -0.002 0.000 2.910 65 T HA 0.797 5.148 4.350 0.001 0.000 0.287 65 T C -0.528 174.185 174.700 0.022 0.000 1.050 65 T CA -1.050 61.024 62.100 -0.044 0.000 1.011 65 T CB 2.417 71.283 68.868 -0.003 0.000 1.195 65 T HN 0.285 nan 8.240 nan 0.000 0.540 66 L N 0.662 121.892 121.223 0.013 0.000 2.455 66 L HA 0.767 5.108 4.340 0.001 0.000 0.264 66 L C -1.844 175.083 176.870 0.094 0.000 0.968 66 L CA -1.095 53.775 54.840 0.049 0.000 0.827 66 L CB 2.031 44.057 42.059 -0.054 0.000 1.317 66 L HN 0.782 nan 8.230 nan 0.000 0.407 67 L N 5.308 126.627 121.223 0.160 0.000 2.261 67 L HA 0.482 4.823 4.340 0.001 0.000 0.289 67 L C -0.507 176.442 176.870 0.131 0.000 1.059 67 L CA -0.015 54.931 54.840 0.176 0.000 0.816 67 L CB 0.414 42.559 42.059 0.145 0.000 1.191 67 L HN 0.650 nan 8.230 nan 0.000 0.431 68 L N 6.301 127.589 121.223 0.109 0.000 2.503 68 L HA 0.097 4.438 4.340 0.001 0.000 0.287 68 L C -1.757 175.249 176.870 0.227 0.000 1.252 68 L CA -1.526 53.384 54.840 0.116 0.000 0.835 68 L CB -0.377 41.738 42.059 0.093 0.000 1.099 68 L HN 0.507 nan 8.230 nan 0.000 0.516 69 P HA 0.029 nan 4.420 nan 0.000 0.264 69 P C -0.872 176.547 177.300 0.199 0.000 1.193 69 P CA 0.623 63.836 63.100 0.188 0.000 0.763 69 P CB 0.363 32.180 31.700 0.195 0.000 0.810 70 H N 0.464 119.427 119.070 -0.178 0.000 2.917 70 H HA 0.419 4.976 4.556 0.000 0.000 0.299 70 H C -1.601 173.699 175.328 -0.045 0.000 1.418 70 H CA -0.722 55.206 56.048 -0.200 0.000 1.138 70 H CB 1.175 30.320 29.762 -1.028 0.000 1.830 70 H HN 0.603 nan 8.280 nan 0.000 0.514 71 H N 0.632 119.608 119.070 -0.157 0.000 2.996 71 H HA 0.832 5.389 4.556 0.002 0.000 0.368 71 H C -1.610 173.819 175.328 0.169 0.000 1.185 71 H CA -0.318 55.708 56.048 -0.036 0.000 1.160 71 H CB 1.597 31.366 29.762 0.012 0.000 1.820 71 H HN 0.920 nan 8.280 nan 0.000 0.547 72 A N 1.496 124.386 122.820 0.116 0.000 2.344 72 A HA 0.407 4.727 4.320 0.001 0.000 0.307 72 A C -0.382 177.211 177.584 0.016 0.000 1.151 72 A CA -0.300 51.818 52.037 0.135 0.000 0.842 72 A CB 0.865 19.983 19.000 0.197 0.000 1.350 72 A HN 0.809 nan 8.150 nan 0.000 0.459 73 D N -0.318 120.124 120.400 0.070 0.000 3.071 73 D HA 0.520 5.161 4.640 0.001 0.000 0.259 73 D C -0.214 176.021 176.300 -0.108 0.000 1.331 73 D CA 0.355 54.354 54.000 -0.002 0.000 0.861 73 D CB 0.102 40.944 40.800 0.069 0.000 1.059 73 D HN 0.732 nan 8.370 nan 0.000 0.486 74 A N 0.149 122.771 122.820 -0.330 0.000 2.549 74 A HA 0.499 4.820 4.320 0.001 0.000 0.297 74 A C -0.961 176.230 177.584 -0.654 0.000 1.061 74 A CA -0.914 50.821 52.037 -0.502 0.000 0.690 74 A CB 1.457 20.032 19.000 -0.708 0.000 1.287 74 A HN 0.025 nan 8.150 nan 0.000 0.402 75 D N 0.003 120.155 120.400 -0.413 0.000 2.360 75 D HA 0.552 5.193 4.640 0.001 0.000 0.242 75 D C -1.010 175.088 176.300 -0.336 0.000 1.184 75 D CA 0.938 54.768 54.000 -0.282 0.000 0.930 75 D CB 0.363 41.093 40.800 -0.116 0.000 1.161 75 D HN 0.349 nan 8.370 nan 0.000 0.447 76 F N 0.849 120.721 119.950 -0.131 0.000 2.585 76 F HA 0.210 4.738 4.527 0.001 0.000 0.319 76 F C -0.624 175.122 175.800 -0.090 0.000 1.165 76 F CA -1.216 56.694 58.000 -0.151 0.000 0.949 76 F CB 1.510 40.360 39.000 -0.251 0.000 1.218 76 F HN 0.003 nan 8.300 nan 0.000 0.453 77 L N 5.797 127.135 121.223 0.192 0.000 2.255 77 L HA 0.489 4.829 4.340 0.001 0.000 0.289 77 L C -1.205 175.724 176.870 0.100 0.000 1.046 77 L CA -0.357 54.578 54.840 0.159 0.000 0.816 77 L CB 0.825 43.026 42.059 0.237 0.000 1.197 77 L HN 0.566 nan 8.230 nan 0.000 0.427 78 L N 5.747 126.975 121.223 0.007 0.000 2.282 78 L HA 0.666 5.006 4.340 0.001 0.000 0.288 78 L C -0.960 175.857 176.870 -0.089 0.000 1.033 78 L CA -0.262 54.533 54.840 -0.075 0.000 0.807 78 L CB 1.495 43.455 42.059 -0.165 0.000 1.209 78 L HN 0.407 nan 8.230 nan 0.000 0.423 79 V N 5.208 125.063 119.914 -0.099 0.000 2.656 79 V HA 0.375 4.496 4.120 0.001 0.000 0.307 79 V C -0.507 175.450 176.094 -0.230 0.000 1.051 79 V CA -0.737 61.425 62.300 -0.230 0.000 0.893 79 V CB 2.229 33.815 31.823 -0.395 0.000 0.999 79 V HN 0.383 nan 8.190 nan 0.000 0.426 80 V N 6.229 126.015 119.914 -0.213 0.000 2.320 80 V HA 0.251 4.372 4.120 0.001 0.000 0.265 80 V C 1.114 177.126 176.094 -0.137 0.000 1.048 80 V CA -0.058 62.169 62.300 -0.122 0.000 0.865 80 V CB 0.877 32.667 31.823 -0.055 0.000 1.043 80 V HN 0.749 nan 8.190 nan 0.000 0.474 81 L N 2.776 123.928 121.223 -0.118 0.000 2.027 81 L HA 0.033 4.374 4.340 0.001 0.000 0.206 81 L C 1.176 178.112 176.870 0.110 0.000 1.074 81 L CA 1.392 56.232 54.840 -0.001 0.000 0.745 81 L CB -0.009 42.085 42.059 0.058 0.000 0.898 81 L HN 0.709 nan 8.230 nan 0.000 0.433 82 N N -0.993 117.749 118.700 0.070 0.000 2.324 82 N HA 0.386 5.126 4.740 0.001 0.000 0.285 82 N C -0.419 175.119 175.510 0.047 0.000 1.076 82 N CA 0.730 53.822 53.050 0.070 0.000 0.864 82 N CB 2.347 40.879 38.487 0.074 0.000 1.632 82 N HN 0.258 nan 8.380 nan 0.000 0.478 83 G N 2.145 110.968 108.800 0.038 0.000 2.548 83 G HA2 -0.094 3.867 3.960 0.001 0.000 0.208 83 G HA3 -0.094 3.867 3.960 0.001 0.000 0.208 83 G C -1.473 173.431 174.900 0.006 0.000 1.308 83 G CA -0.409 44.707 45.100 0.025 0.000 0.924 83 G HN 0.911 nan 8.290 nan 0.000 0.540 84 R N -0.985 119.515 120.500 0.001 0.000 2.548 84 R HA 0.812 5.153 4.340 0.001 0.000 0.280 84 R C -0.513 175.783 176.300 -0.006 0.000 1.061 84 R CA -0.248 55.833 56.100 -0.032 0.000 0.915 84 R CB 1.578 31.847 30.300 -0.051 0.000 1.210 84 R HN 2.114 nan 8.270 nan 0.000 0.442 85 A N 1.969 124.778 122.820 -0.017 0.000 2.423 85 A HA 0.630 4.950 4.320 0.001 0.000 0.304 85 A C -1.170 176.418 177.584 0.007 0.000 1.104 85 A CA -0.871 51.179 52.037 0.023 0.000 0.757 85 A CB 2.390 21.419 19.000 0.049 0.000 1.313 85 A HN 0.582 nan 8.150 nan 0.000 0.423 86 V N 2.918 122.862 119.914 0.050 0.000 2.311 86 V HA 0.569 4.689 4.120 0.001 0.000 0.275 86 V C -0.994 175.143 176.094 0.071 0.000 1.022 86 V CA -0.544 61.790 62.300 0.056 0.000 0.830 86 V CB 0.587 32.467 31.823 0.095 0.000 1.012 86 V HN 0.881 nan 8.190 nan 0.000 0.452 87 L N 6.963 128.190 121.223 0.006 0.000 2.292 87 L HA 0.707 5.048 4.340 0.001 0.000 0.284 87 L C 0.150 176.943 176.870 -0.129 0.000 1.065 87 L CA 0.867 55.686 54.840 -0.035 0.000 0.806 87 L CB 1.621 43.645 42.059 -0.059 0.000 1.175 87 L HN 0.744 nan 8.230 nan 0.000 0.431 88 T N 6.533 120.893 114.554 -0.324 0.000 2.840 88 T HA 0.552 4.903 4.350 0.001 0.000 0.287 88 T C -0.518 173.921 174.700 -0.436 0.000 0.991 88 T CA -0.402 61.376 62.100 -0.537 0.000 0.964 88 T CB 0.900 69.026 68.868 -1.236 0.000 0.954 88 T HN 0.430 nan 8.240 nan 0.000 0.438 89 L N 3.690 124.774 121.223 -0.232 0.000 2.307 89 L HA 0.822 5.163 4.340 0.001 0.000 0.284 89 L C 0.029 176.837 176.870 -0.103 0.000 1.023 89 L CA -1.323 53.446 54.840 -0.119 0.000 0.810 89 L CB 1.607 43.614 42.059 -0.085 0.000 1.231 89 L HN 0.441 nan 8.230 nan 0.000 0.423 90 V N 0.309 120.192 119.914 -0.053 0.000 2.680 90 V HA 0.651 4.771 4.120 0.001 0.000 0.309 90 V C -0.667 175.417 176.094 -0.016 0.000 1.052 90 V CA -0.488 61.796 62.300 -0.026 0.000 0.908 90 V CB 1.958 33.790 31.823 0.015 0.000 1.001 90 V HN 0.811 nan 8.190 nan 0.000 0.431 91 N N 4.113 122.801 118.700 -0.019 0.000 2.380 91 N HA 0.550 5.290 4.740 0.001 0.000 0.290 91 N C -2.167 173.331 175.510 -0.021 0.000 1.236 91 N CA -1.235 51.801 53.050 -0.024 0.000 0.780 91 N CB 2.395 40.865 38.487 -0.027 0.000 1.438 91 N HN 0.492 nan 8.380 nan 0.000 0.491 92 P HA -0.165 nan 4.420 nan 0.000 0.220 92 P C 0.306 177.595 177.300 -0.020 0.000 1.144 92 P CA 1.621 64.707 63.100 -0.024 0.000 0.800 92 P CB 0.250 31.931 31.700 -0.032 0.000 0.772 93 D N -1.479 118.910 120.400 -0.020 0.000 2.398 93 D HA 0.277 4.918 4.640 0.001 0.000 0.210 93 D C 0.847 177.138 176.300 -0.015 0.000 1.094 93 D CA -0.148 53.842 54.000 -0.017 0.000 0.839 93 D CB 0.415 41.204 40.800 -0.018 0.000 0.963 93 D HN 0.211 nan 8.370 nan 0.000 0.506 94 G N -0.578 108.213 108.800 -0.016 0.000 2.355 94 G HA2 0.332 4.293 3.960 0.001 0.000 0.296 94 G HA3 0.332 4.293 3.960 0.001 0.000 0.296 94 G C -1.843 173.044 174.900 -0.022 0.000 1.507 94 G CA -1.114 43.975 45.100 -0.017 0.000 0.823 94 G HN 0.232 nan 8.290 nan 0.000 0.569 95 R N -0.055 120.429 120.500 -0.027 0.000 2.598 95 R HA 0.667 5.007 4.340 0.001 0.000 0.279 95 R C -1.640 174.634 176.300 -0.043 0.000 0.984 95 R CA -0.532 55.544 56.100 -0.039 0.000 0.999 95 R CB 1.780 32.054 30.300 -0.043 0.000 1.114 95 R HN 0.511 nan 8.270 nan 0.000 0.493 96 D N 0.642 121.007 120.400 -0.060 0.000 2.891 96 D HA 0.300 4.941 4.640 0.001 0.000 0.224 96 D C -1.822 174.440 176.300 -0.064 0.000 1.321 96 D CA -0.112 53.860 54.000 -0.046 0.000 0.929 96 D CB 1.929 42.705 40.800 -0.039 0.000 1.551 96 D HN 0.417 nan 8.370 nan 0.000 0.574 97 S N 2.887 118.571 115.700 -0.026 0.000 2.570 97 S HA 0.757 5.227 4.470 0.001 0.000 0.286 97 S C -1.002 173.606 174.600 0.012 0.000 1.099 97 S CA -0.927 57.263 58.200 -0.017 0.000 0.913 97 S CB 1.482 64.704 63.200 0.037 0.000 1.085 97 S HN 0.475 nan 8.310 nan 0.000 0.480 98 N N 1.117 119.818 118.700 0.002 0.000 2.484 98 N HA 0.402 5.143 4.740 0.001 0.000 0.269 98 N C -1.382 174.121 175.510 -0.011 0.000 1.237 98 N CA -0.573 52.481 53.050 0.006 0.000 0.838 98 N CB 2.245 40.736 38.487 0.007 0.000 1.593 98 N HN 0.684 nan 8.380 nan 0.000 0.485 99 I N 0.410 120.965 120.570 -0.026 0.000 2.428 99 I HA 0.490 4.661 4.170 0.001 0.000 0.296 99 I C -1.231 174.791 176.117 -0.159 0.000 0.985 99 I CA -0.536 60.725 61.300 -0.065 0.000 1.260 99 I CB 0.804 38.770 38.000 -0.057 0.000 1.389 99 I HN 0.348 nan 8.210 nan 0.000 0.484 100 L N 6.871 127.962 121.223 -0.221 0.000 2.356 100 L HA 0.507 4.848 4.340 0.001 0.000 0.277 100 L C -0.174 176.391 176.870 -0.509 0.000 0.996 100 L CA -0.681 53.893 54.840 -0.443 0.000 0.822 100 L CB 1.656 43.592 42.059 -0.204 0.000 1.256 100 L HN 0.620 nan 8.230 nan 0.000 0.413 101 E N 1.827 121.439 120.200 -0.980 0.000 2.280 101 E HA 0.158 4.509 4.350 0.001 0.000 0.261 101 E C -0.529 176.032 176.600 -0.064 0.000 1.088 101 E CA -0.664 55.516 56.400 -0.366 0.000 0.915 101 E CB 1.069 30.656 29.700 -0.190 0.000 1.141 101 E HN 0.550 nan 8.360 nan 0.000 0.433 102 Q N -0.590 119.229 119.800 0.032 0.000 2.300 102 Q HA 0.278 4.619 4.340 0.001 0.000 0.280 102 Q C 0.546 176.646 176.000 0.167 0.000 1.033 102 Q CA 0.678 56.533 55.803 0.086 0.000 0.903 102 Q CB 0.246 29.032 28.738 0.079 0.000 1.195 102 Q HN 0.699 nan 8.270 nan 0.000 0.386 103 G N 1.976 110.884 108.800 0.179 0.000 2.179 103 G HA2 -0.216 3.744 3.960 0.001 0.000 0.220 103 G HA3 -0.216 3.744 3.960 0.001 0.000 0.220 103 G C -0.432 174.500 174.900 0.054 0.000 0.990 103 G CA 0.057 45.285 45.100 0.213 0.000 0.646 103 G HN 0.801 nan 8.290 nan 0.000 0.517 104 H N 0.878 119.877 119.070 -0.118 0.000 2.505 104 H HA 0.781 5.338 4.556 0.001 0.000 0.351 104 H C 0.599 175.726 175.328 -0.335 0.000 1.151 104 H CA 0.975 56.891 56.048 -0.221 0.000 1.339 104 H CB 1.623 31.287 29.762 -0.164 0.000 1.483 104 H HN 0.740 nan 8.280 nan 0.000 0.558 105 A N 1.444 123.982 122.820 -0.468 0.000 2.566 105 A HA 0.684 5.005 4.320 0.001 0.000 0.292 105 A C -1.378 175.897 177.584 -0.515 0.000 1.112 105 A CA -0.649 51.066 52.037 -0.536 0.000 0.707 105 A CB 2.093 20.679 19.000 -0.689 0.000 1.302 105 A HN 0.634 nan 8.150 nan 0.000 0.409 106 Q N 0.397 120.083 119.800 -0.189 0.000 2.541 106 Q HA 0.286 4.627 4.340 0.001 0.000 0.259 106 Q C -1.612 174.421 176.000 0.056 0.000 0.974 106 Q CA -0.557 55.260 55.803 0.024 0.000 0.955 106 Q CB 1.344 30.076 28.738 -0.011 0.000 1.517 106 Q HN 0.835 nan 8.270 nan 0.000 0.412 107 K N 3.753 124.230 120.400 0.127 0.000 2.270 107 K HA 0.400 4.720 4.320 0.001 0.000 0.276 107 K C -0.822 175.773 176.600 -0.008 0.000 1.023 107 K CA -0.133 56.200 56.287 0.076 0.000 0.955 107 K CB 0.604 33.157 32.500 0.089 0.000 0.975 107 K HN 0.573 nan 8.250 nan 0.000 0.471 108 I N 6.734 127.284 120.570 -0.033 0.000 2.464 108 I HA 0.224 4.394 4.170 0.001 0.000 0.277 108 I C -2.214 173.847 176.117 -0.092 0.000 1.040 108 I CA -2.634 58.594 61.300 -0.120 0.000 1.153 108 I CB 1.613 39.457 38.000 -0.259 0.000 1.274 108 I HN 0.497 nan 8.210 nan 0.000 0.469 109 P HA -0.097 nan 4.420 nan 0.000 0.264 109 P C -0.112 177.128 177.300 -0.100 0.000 1.173 109 P CA 0.068 63.123 63.100 -0.075 0.000 0.761 109 P CB 0.543 32.209 31.700 -0.056 0.000 0.794 110 A N 3.318 126.066 122.820 -0.120 0.000 2.524 110 A HA 0.424 4.745 4.320 0.001 0.000 0.250 110 A C 1.568 179.116 177.584 -0.061 0.000 1.078 110 A CA 0.791 52.744 52.037 -0.139 0.000 0.761 110 A CB -1.298 17.615 19.000 -0.146 0.000 1.012 110 A HN 0.881 nan 8.150 nan 0.000 0.500 111 G N 2.110 110.911 108.800 0.003 0.000 2.194 111 G HA2 -0.205 3.756 3.960 0.001 0.000 0.236 111 G HA3 -0.205 3.756 3.960 0.001 0.000 0.236 111 G C 0.431 175.357 174.900 0.042 0.000 0.987 111 G CA 0.306 45.456 45.100 0.084 0.000 0.635 111 G HN 1.166 nan 8.290 nan 0.000 0.520 112 T N 3.120 117.697 114.554 0.039 0.000 2.751 112 T HA 0.463 4.814 4.350 0.001 0.000 0.290 112 T C 0.774 175.571 174.700 0.162 0.000 0.919 112 T CA 0.768 62.891 62.100 0.038 0.000 1.136 112 T CB 0.882 69.745 68.868 -0.007 0.000 0.875 112 T HN 0.305 nan 8.240 nan 0.000 0.532 113 T N 5.565 120.173 114.554 0.090 0.000 2.940 113 T HA 0.429 4.779 4.350 0.001 0.000 0.309 113 T C -0.107 174.709 174.700 0.194 0.000 1.056 113 T CA 0.004 62.180 62.100 0.127 0.000 1.137 113 T CB -0.207 68.696 68.868 0.058 0.000 0.976 113 T HN 0.569 nan 8.240 nan 0.000 0.547 114 F N 0.872 120.767 119.950 -0.092 0.000 2.831 114 F HA 0.815 5.342 4.527 0.000 0.000 0.318 114 F C -1.881 173.917 175.800 -0.002 0.000 1.174 114 F CA -2.402 55.502 58.000 -0.161 0.000 0.918 114 F CB 1.147 40.028 39.000 -0.198 0.000 1.364 114 F HN 0.544 nan 8.300 nan 0.000 0.475 115 F N -0.173 119.785 119.950 0.014 0.000 2.693 115 F HA 0.847 5.374 4.527 0.001 0.000 0.309 115 F C -2.570 173.277 175.800 0.078 0.000 1.129 115 F CA -1.676 56.279 58.000 -0.075 0.000 0.948 115 F CB 1.130 40.110 39.000 -0.034 0.000 1.315 115 F HN 0.530 nan 8.300 nan 0.000 0.447 116 L N 2.799 124.243 121.223 0.369 0.000 2.354 116 L HA 0.933 5.274 4.340 0.001 0.000 0.264 116 L C -0.597 176.428 176.870 0.257 0.000 1.008 116 L CA -1.080 53.914 54.840 0.256 0.000 0.819 116 L CB 2.004 44.098 42.059 0.058 0.000 1.339 116 L HN 0.892 nan 8.230 nan 0.000 0.420 117 V N -0.054 119.990 119.914 0.217 0.000 2.932 117 V HA 0.644 4.765 4.120 0.001 0.000 0.307 117 V C -1.518 174.655 176.094 0.132 0.000 1.147 117 V CA -0.518 61.880 62.300 0.162 0.000 0.951 117 V CB 2.235 34.137 31.823 0.131 0.000 1.031 117 V HN 0.788 nan 8.190 nan 0.000 0.426 118 N N 6.766 125.535 118.700 0.115 0.000 2.558 118 N HA 0.508 5.248 4.740 0.001 0.000 0.233 118 N C -1.293 174.251 175.510 0.058 0.000 1.038 118 N CA -2.199 50.905 53.050 0.090 0.000 0.934 118 N CB 1.581 40.126 38.487 0.096 0.000 1.175 118 N HN 0.603 nan 8.380 nan 0.000 0.512 119 P HA -0.137 nan 4.420 nan 0.000 0.217 119 P C 0.177 177.490 177.300 0.022 0.000 1.150 119 P CA 0.743 63.861 63.100 0.030 0.000 0.832 119 P CB 0.188 31.902 31.700 0.024 0.000 0.787 120 D N 0.495 120.908 120.400 0.022 0.000 2.474 120 D HA -0.114 4.526 4.640 0.001 0.000 0.232 120 D C 0.374 176.687 176.300 0.022 0.000 1.177 120 D CA 0.680 54.692 54.000 0.019 0.000 0.876 120 D CB 0.432 41.244 40.800 0.020 0.000 1.208 120 D HN -0.098 nan 8.370 nan 0.000 0.464 121 D N 0.024 120.435 120.400 0.019 0.000 2.369 121 D HA -0.010 4.630 4.640 0.001 0.000 0.211 121 D C 0.745 177.059 176.300 0.024 0.000 1.077 121 D CA 0.348 54.361 54.000 0.020 0.000 0.842 121 D CB 0.359 41.168 40.800 0.015 0.000 0.947 121 D HN 0.578 nan 8.370 nan 0.000 0.509 122 E N -1.170 119.045 120.200 0.024 0.000 2.490 122 E HA -0.006 4.345 4.350 0.001 0.000 0.184 122 E C -0.098 176.516 176.600 0.023 0.000 0.927 122 E CA -0.156 56.259 56.400 0.024 0.000 1.387 122 E CB -0.276 29.436 29.700 0.020 0.000 1.570 122 E HN 0.029 nan 8.360 nan 0.000 0.762 123 E N 1.935 122.149 120.200 0.023 0.000 2.197 123 E HA 0.339 4.690 4.350 0.001 0.000 0.281 123 E C -0.697 175.918 176.600 0.026 0.000 0.995 123 E CA -0.282 56.132 56.400 0.023 0.000 0.808 123 E CB 0.965 30.678 29.700 0.022 0.000 1.093 123 E HN 0.127 nan 8.360 nan 0.000 0.394 124 N N 2.415 121.128 118.700 0.022 0.000 2.424 124 N HA 0.247 4.988 4.740 0.001 0.000 0.257 124 N C -1.043 174.481 175.510 0.023 0.000 1.250 124 N CA -0.554 52.505 53.050 0.015 0.000 0.946 124 N CB 0.546 39.032 38.487 -0.002 0.000 1.175 124 N HN 0.297 nan 8.380 nan 0.000 0.477 125 L N 1.327 122.563 121.223 0.022 0.000 2.313 125 L HA 0.424 4.765 4.340 0.001 0.000 0.283 125 L C -0.866 176.028 176.870 0.040 0.000 1.013 125 L CA -0.285 54.588 54.840 0.055 0.000 0.816 125 L CB 0.919 43.048 42.059 0.118 0.000 1.236 125 L HN 0.443 nan 8.230 nan 0.000 0.419 126 R N 6.227 126.762 120.500 0.058 0.000 2.476 126 R HA 0.670 5.011 4.340 0.001 0.000 0.305 126 R C -1.304 175.045 176.300 0.081 0.000 0.965 126 R CA -0.606 55.529 56.100 0.057 0.000 0.867 126 R CB 1.829 32.160 30.300 0.052 0.000 1.176 126 R HN 0.620 nan 8.270 nan 0.000 0.447 127 I N 3.513 124.161 120.570 0.130 0.000 2.545 127 I HA 0.390 4.561 4.170 0.001 0.000 0.292 127 I C -0.859 175.319 176.117 0.100 0.000 1.040 127 I CA -1.143 60.217 61.300 0.100 0.000 1.068 127 I CB 2.310 40.395 38.000 0.141 0.000 1.251 127 I HN 0.430 nan 8.210 nan 0.000 0.424 128 I N 6.270 126.874 120.570 0.056 0.000 2.493 128 I HA 0.432 4.603 4.170 0.001 0.000 0.298 128 I C -0.893 175.289 176.117 0.107 0.000 0.998 128 I CA -0.176 61.206 61.300 0.136 0.000 1.137 128 I CB 1.184 39.316 38.000 0.220 0.000 1.310 128 I HN 0.424 nan 8.210 nan 0.000 0.445 129 K N 6.392 126.837 120.400 0.075 0.000 2.507 129 K HA 0.452 4.772 4.320 0.001 0.000 0.251 129 K C -1.798 174.771 176.600 -0.053 0.000 0.943 129 K CA -0.859 55.405 56.287 -0.040 0.000 0.794 129 K CB 1.965 34.314 32.500 -0.252 0.000 1.188 129 K HN 0.423 nan 8.250 nan 0.000 0.428 130 L N 3.103 124.267 121.223 -0.097 0.000 2.264 130 L HA 0.518 4.859 4.340 0.001 0.000 0.289 130 L C -0.779 176.165 176.870 0.124 0.000 1.044 130 L CA -0.024 54.711 54.840 -0.175 0.000 0.807 130 L CB 1.107 42.883 42.059 -0.471 0.000 1.192 130 L HN 0.737 nan 8.230 nan 0.000 0.425 131 A N 4.663 127.592 122.820 0.182 0.000 2.325 131 A HA 0.812 5.133 4.320 0.001 0.000 0.333 131 A C -1.165 176.462 177.584 0.072 0.000 1.155 131 A CA -0.538 51.587 52.037 0.146 0.000 0.814 131 A CB 1.477 20.515 19.000 0.062 0.000 1.206 131 A HN 0.470 nan 8.150 nan 0.000 0.482 132 V N 3.874 123.730 119.914 -0.096 0.000 2.385 132 V HA 0.289 4.409 4.120 0.001 0.000 0.277 132 V C -2.600 173.384 176.094 -0.183 0.000 1.012 132 V CA -1.353 60.870 62.300 -0.128 0.000 0.832 132 V CB 1.247 33.020 31.823 -0.084 0.000 1.028 132 V HN 0.766 nan 8.190 nan 0.000 0.436 133 P HA 0.202 nan 4.420 nan 0.000 0.269 133 P C 0.674 177.913 177.300 -0.101 0.000 1.215 133 P CA 0.189 63.248 63.100 -0.069 0.000 0.780 133 P CB 1.412 33.130 31.700 0.031 0.000 0.898 134 V N 1.786 121.656 119.914 -0.073 0.000 2.484 134 V HA -0.063 4.058 4.120 0.001 0.000 0.236 134 V C 1.849 177.909 176.094 -0.057 0.000 1.062 134 V CA 1.266 63.523 62.300 -0.072 0.000 1.081 134 V CB -0.875 30.910 31.823 -0.062 0.000 0.751 134 V HN 0.478 nan 8.190 nan 0.000 0.484 135 N N 0.864 119.547 118.700 -0.029 0.000 2.188 135 N HA -0.060 4.681 4.740 0.001 0.000 0.184 135 N C 0.758 176.249 175.510 -0.033 0.000 1.018 135 N CA 0.939 53.977 53.050 -0.020 0.000 0.858 135 N CB -0.168 38.324 38.487 0.007 0.000 0.989 135 N HN 0.398 nan 8.380 nan 0.000 0.426 136 N N 0.086 118.763 118.700 -0.038 0.000 2.352 136 N HA 0.163 4.904 4.740 0.001 0.000 0.291 136 N C -2.120 173.301 175.510 -0.148 0.000 1.040 136 N CA -1.681 51.326 53.050 -0.071 0.000 0.864 136 N CB 2.583 41.061 38.487 -0.015 0.000 1.440 136 N HN -0.188 nan 8.380 nan 0.000 0.483 137 P HA -0.140 nan 4.420 nan 0.000 0.216 137 P C 0.254 177.289 177.300 -0.441 0.000 1.150 137 P CA 1.643 64.474 63.100 -0.449 0.000 0.843 137 P CB 0.278 31.598 31.700 -0.635 0.000 0.787 138 H N -2.305 116.763 119.070 -0.003 0.000 2.562 138 H HA 0.279 4.836 4.556 0.001 0.000 0.267 138 H C 1.374 176.723 175.328 0.035 0.000 0.959 138 H CA -0.084 55.972 56.048 0.014 0.000 1.204 138 H CB 0.325 30.090 29.762 0.005 0.000 1.430 138 H HN 0.027 nan 8.280 nan 0.000 0.545 139 R N 0.728 121.285 120.500 0.095 0.000 2.707 139 R HA 0.319 4.660 4.340 0.001 0.000 0.272 139 R C -1.742 174.620 176.300 0.103 0.000 1.011 139 R CA -0.907 55.232 56.100 0.065 0.000 0.893 139 R CB 1.555 31.855 30.300 0.000 0.000 1.233 139 R HN 0.114 nan 8.270 nan 0.000 0.464 140 F N 0.087 120.062 119.950 0.041 0.000 2.598 140 F HA 0.586 5.113 4.527 0.000 0.000 0.327 140 F C -0.983 174.850 175.800 0.056 0.000 1.057 140 F CA -1.011 57.007 58.000 0.031 0.000 0.957 140 F CB 1.666 40.670 39.000 0.006 0.000 1.278 140 F HN 0.147 nan 8.300 nan 0.000 0.484 141 Q N 2.212 122.163 119.800 0.253 0.000 2.327 141 Q HA 0.272 4.613 4.340 0.001 0.000 0.270 141 Q C -1.491 174.628 176.000 0.199 0.000 1.022 141 Q CA -0.483 55.370 55.803 0.083 0.000 0.773 141 Q CB 2.007 30.757 28.738 0.020 0.000 1.251 141 Q HN 0.736 nan 8.270 nan 0.000 0.457 142 D N 2.456 122.939 120.400 0.139 0.000 2.304 142 D HA 0.262 4.903 4.640 0.001 0.000 0.250 142 D C -0.550 175.687 176.300 -0.106 0.000 1.107 142 D CA 0.226 54.339 54.000 0.188 0.000 0.885 142 D CB 0.743 41.689 40.800 0.243 0.000 1.192 142 D HN 0.256 nan 8.370 nan 0.000 0.436 143 F N 1.925 121.787 119.950 -0.147 0.000 2.445 143 F HA 0.305 4.831 4.527 -0.000 0.000 0.348 143 F C -0.154 175.753 175.800 0.179 0.000 1.125 143 F CA -0.813 57.150 58.000 -0.062 0.000 0.983 143 F CB 0.770 39.464 39.000 -0.511 0.000 1.198 143 F HN 0.144 nan 8.300 nan 0.000 0.436 144 F N 3.976 124.189 119.950 0.439 0.000 2.404 144 F HA 0.250 4.777 4.527 0.000 0.000 0.345 144 F C 0.999 177.013 175.800 0.357 0.000 1.110 144 F CA -0.503 57.715 58.000 0.364 0.000 1.130 144 F CB 1.376 40.431 39.000 0.092 0.000 1.129 144 F HN 0.387 nan 8.300 nan 0.000 0.500 145 L N 2.581 124.050 121.223 0.410 0.000 2.131 145 L HA 0.007 4.348 4.340 0.001 0.000 0.206 145 L C 1.448 178.344 176.870 0.043 0.000 1.087 145 L CA 0.964 55.815 54.840 0.018 0.000 0.767 145 L CB -0.640 41.479 42.059 0.100 0.000 0.917 145 L HN 0.596 nan 8.230 nan 0.000 0.441 146 S N -1.468 114.322 115.700 0.151 0.000 2.587 146 S HA 0.198 4.668 4.470 0.001 0.000 0.260 146 S C 0.382 175.017 174.600 0.059 0.000 1.353 146 S CA -0.287 57.964 58.200 0.084 0.000 0.995 146 S CB 0.732 63.972 63.200 0.066 0.000 0.912 146 S HN 0.267 nan 8.310 nan 0.000 0.568 147 S N 0.829 116.551 115.700 0.038 0.000 2.756 147 S HA 0.665 5.136 4.470 0.001 0.000 0.303 147 S C -0.525 174.076 174.600 0.000 0.000 1.135 147 S CA -0.455 57.763 58.200 0.030 0.000 1.066 147 S CB 0.536 63.797 63.200 0.102 0.000 1.008 147 S HN 1.126 nan 8.310 nan 0.000 0.482 148 T N 0.851 115.386 114.554 -0.032 0.000 2.865 148 T HA 0.488 4.839 4.350 0.001 0.000 0.294 148 T C 0.556 175.242 174.700 -0.023 0.000 1.119 148 T CA -0.795 61.285 62.100 -0.033 0.000 1.007 148 T CB 1.158 69.983 68.868 -0.071 0.000 1.225 148 T HN 0.374 nan 8.240 nan 0.000 0.515 149 E N -0.034 120.166 120.200 0.000 0.000 2.401 149 E HA -0.025 4.326 4.350 0.001 0.000 0.199 149 E C 1.928 178.536 176.600 0.013 0.000 1.023 149 E CA 1.018 57.423 56.400 0.008 0.000 0.859 149 E CB -0.181 29.532 29.700 0.021 0.000 0.780 149 E HN 0.680 nan 8.360 nan 0.000 0.523 150 A N 0.932 123.762 122.820 0.017 0.000 1.859 150 A HA -0.027 4.294 4.320 0.001 0.000 0.212 150 A C 1.100 178.665 177.584 -0.032 0.000 1.238 150 A CA 0.546 52.609 52.037 0.042 0.000 0.613 150 A CB 0.088 19.186 19.000 0.164 0.000 0.904 150 A HN 0.158 nan 8.150 nan 0.000 0.457 151 Q N -1.042 118.690 119.800 -0.114 0.000 2.378 151 Q HA 0.658 4.998 4.340 0.001 0.000 0.276 151 Q C -0.645 175.309 176.000 -0.076 0.000 1.083 151 Q CA -0.779 54.954 55.803 -0.117 0.000 0.856 151 Q CB 0.869 29.468 28.738 -0.232 0.000 1.383 151 Q HN 0.400 nan 8.270 nan 0.000 0.458 152 Q N 0.390 120.165 119.800 -0.041 0.000 2.309 152 Q HA 0.466 4.807 4.340 0.001 0.000 0.264 152 Q C -0.810 175.195 176.000 0.008 0.000 1.008 152 Q CA -0.688 55.089 55.803 -0.044 0.000 0.853 152 Q CB 1.914 30.609 28.738 -0.071 0.000 1.314 152 Q HN 0.816 nan 8.270 nan 0.000 0.448 153 S N 1.848 117.536 115.700 -0.020 0.000 2.558 153 S HA -0.060 4.410 4.470 0.001 0.000 0.288 153 S C 0.736 175.383 174.600 0.077 0.000 1.318 153 S CA -0.009 58.206 58.200 0.025 0.000 1.056 153 S CB 0.181 63.408 63.200 0.044 0.000 0.853 153 S HN 0.624 nan 8.310 nan 0.000 0.505 154 Y N 3.515 123.946 120.300 0.218 0.000 2.516 154 Y HA 0.221 4.772 4.550 0.002 0.000 0.291 154 Y C 1.390 177.456 175.900 0.276 0.000 1.131 154 Y CA 0.439 58.683 58.100 0.240 0.000 1.281 154 Y CB -0.556 38.138 38.460 0.389 0.000 1.013 154 Y HN 0.538 nan 8.280 nan 0.000 0.554 155 L N 0.396 121.773 121.223 0.257 0.000 2.291 155 L HA -0.115 4.226 4.340 0.001 0.000 0.214 155 L C 2.401 179.560 176.870 0.481 0.000 1.120 155 L CA 1.147 56.291 54.840 0.506 0.000 0.799 155 L CB -0.399 41.923 42.059 0.437 0.000 0.925 155 L HN 0.276 nan 8.230 nan 0.000 0.446 156 Q N 0.059 119.920 119.800 0.102 0.000 2.515 156 Q HA -0.059 4.282 4.340 0.001 0.000 0.212 156 Q C 1.754 177.727 176.000 -0.045 0.000 0.970 156 Q CA 0.656 56.301 55.803 -0.264 0.000 0.941 156 Q CB 0.147 28.405 28.738 -0.800 0.000 0.998 156 Q HN 0.456 nan 8.270 nan 0.000 0.518 157 G N -0.841 107.992 108.800 0.055 0.000 2.939 157 G HA2 0.079 4.039 3.960 0.001 0.000 0.210 157 G HA3 0.079 4.039 3.960 0.001 0.000 0.210 157 G C -0.099 174.717 174.900 -0.140 0.000 1.160 157 G CA -0.328 44.732 45.100 -0.067 0.000 0.770 157 G HN 0.141 nan 8.290 nan 0.000 0.543 158 F N 1.393 121.434 119.950 0.151 0.000 2.377 158 F HA 0.454 4.982 4.527 0.002 0.000 0.328 158 F C 1.221 177.100 175.800 0.131 0.000 1.094 158 F CA -0.857 57.230 58.000 0.145 0.000 1.093 158 F CB 1.563 40.668 39.000 0.176 0.000 1.214 158 F HN -0.006 nan 8.300 nan 0.000 0.518 159 S N 2.061 117.946 115.700 0.308 0.000 2.600 159 S HA 0.098 4.569 4.470 0.001 0.000 0.265 159 S C 1.258 175.980 174.600 0.204 0.000 1.325 159 S CA -0.705 57.616 58.200 0.201 0.000 1.002 159 S CB 1.134 64.425 63.200 0.152 0.000 0.921 159 S HN 0.772 nan 8.310 nan 0.000 0.554 160 K N 1.613 122.106 120.400 0.154 0.000 2.032 160 K HA -0.195 4.126 4.320 0.001 0.000 0.209 160 K C 1.514 178.185 176.600 0.119 0.000 1.048 160 K CA 1.931 58.301 56.287 0.138 0.000 0.927 160 K CB -0.858 31.704 32.500 0.103 0.000 0.712 160 K HN 0.767 nan 8.250 nan 0.000 0.441 161 N N 1.233 119.993 118.700 0.101 0.000 2.149 161 N HA -0.184 4.557 4.740 0.001 0.000 0.188 161 N C 1.932 177.490 175.510 0.079 0.000 1.019 161 N CA 1.268 54.365 53.050 0.079 0.000 0.857 161 N CB -0.244 38.284 38.487 0.068 0.000 0.997 161 N HN 0.210 nan 8.380 nan 0.000 0.426 162 I N 1.601 122.235 120.570 0.106 0.000 2.141 162 I HA -0.110 4.061 4.170 0.001 0.000 0.236 162 I C 2.482 178.639 176.117 0.066 0.000 1.071 162 I CA 0.628 61.972 61.300 0.073 0.000 1.345 162 I CB -1.318 36.754 38.000 0.119 0.000 1.066 162 I HN 0.034 nan 8.210 nan 0.000 0.406 163 L N 0.402 121.721 121.223 0.160 0.000 2.137 163 L HA -0.261 4.080 4.340 0.001 0.000 0.213 163 L C 2.512 179.521 176.870 0.233 0.000 1.085 163 L CA 1.437 56.428 54.840 0.253 0.000 0.760 163 L CB -0.516 41.729 42.059 0.310 0.000 0.893 163 L HN 0.350 nan 8.230 nan 0.000 0.434 164 E N -0.286 119.999 120.200 0.141 0.000 2.028 164 E HA -0.189 4.162 4.350 0.001 0.000 0.190 164 E C 2.289 178.935 176.600 0.076 0.000 0.984 164 E CA 1.080 57.542 56.400 0.104 0.000 0.800 164 E CB -0.057 29.687 29.700 0.073 0.000 0.758 164 E HN 0.474 nan 8.360 nan 0.000 0.448 165 A N 0.361 123.205 122.820 0.040 0.000 1.898 165 A HA -0.138 4.183 4.320 0.001 0.000 0.216 165 A C 2.291 179.848 177.584 -0.045 0.000 1.181 165 A CA 1.650 53.687 52.037 0.001 0.000 0.620 165 A CB -0.420 18.574 19.000 -0.010 0.000 0.819 165 A HN 0.204 nan 8.150 nan 0.000 0.442 166 S N -0.866 114.781 115.700 -0.088 0.000 2.368 166 S HA -0.084 4.386 4.470 0.001 0.000 0.225 166 S C 1.329 175.715 174.600 -0.356 0.000 1.030 166 S CA 1.496 59.536 58.200 -0.267 0.000 0.999 166 S CB -0.409 62.559 63.200 -0.388 0.000 0.844 166 S HN 0.545 nan 8.310 nan 0.000 0.459 167 F N 0.808 120.726 119.950 -0.052 0.000 2.731 167 F HA 0.278 4.806 4.527 0.001 0.000 0.298 167 F C 0.299 176.074 175.800 -0.042 0.000 1.106 167 F CA -0.439 57.531 58.000 -0.051 0.000 1.329 167 F CB -0.092 38.871 39.000 -0.061 0.000 1.100 167 F HN 0.012 nan 8.300 nan 0.000 0.592 168 D N 1.183 121.651 120.400 0.113 0.000 3.620 168 D HA -0.130 4.511 4.640 0.001 0.000 0.237 168 D C -0.412 175.927 176.300 0.065 0.000 1.111 168 D CA 1.014 55.051 54.000 0.062 0.000 1.070 168 D CB -0.626 40.196 40.800 0.036 0.000 0.891 168 D HN 0.220 nan 8.370 nan 0.000 0.412 169 S N 1.948 117.679 115.700 0.052 0.000 2.751 169 S HA 0.272 4.742 4.470 0.001 0.000 0.289 169 S C -1.524 173.088 174.600 0.020 0.000 0.965 169 S CA -0.428 57.787 58.200 0.025 0.000 0.855 169 S CB 0.538 63.743 63.200 0.008 0.000 1.068 169 S HN 0.456 nan 8.310 nan 0.000 0.462 170 D N 3.243 123.647 120.400 0.006 0.000 2.423 170 D HA 0.041 4.682 4.640 0.001 0.000 0.238 170 D C 1.703 178.004 176.300 0.001 0.000 1.142 170 D CA -0.325 53.680 54.000 0.009 0.000 0.884 170 D CB 0.375 41.177 40.800 0.004 0.000 1.199 170 D HN 0.644 nan 8.370 nan 0.000 0.438 171 I N 0.689 121.270 120.570 0.019 0.000 2.315 171 I HA -0.349 3.822 4.170 0.001 0.000 0.251 171 I C 2.004 178.116 176.117 -0.008 0.000 1.125 171 I CA 1.347 62.659 61.300 0.021 0.000 1.392 171 I CB 0.068 38.104 38.000 0.060 0.000 1.065 171 I HN 0.350 nan 8.210 nan 0.000 0.424 172 K N 0.549 120.947 120.400 -0.004 0.000 2.009 172 K HA -0.281 4.040 4.320 0.001 0.000 0.210 172 K C 2.031 178.603 176.600 -0.048 0.000 1.049 172 K CA 2.049 58.328 56.287 -0.013 0.000 0.929 172 K CB -0.338 32.159 32.500 -0.004 0.000 0.714 172 K HN 0.404 nan 8.250 nan 0.000 0.440 173 E N 1.018 121.184 120.200 -0.056 0.000 2.118 173 E HA -0.211 4.139 4.350 0.001 0.000 0.195 173 E C 1.859 178.369 176.600 -0.150 0.000 0.992 173 E CA 1.092 57.443 56.400 -0.082 0.000 0.804 173 E CB -0.016 29.644 29.700 -0.066 0.000 0.741 173 E HN 0.258 nan 8.360 nan 0.000 0.458 174 I N 0.372 120.829 120.570 -0.188 0.000 2.110 174 I HA -0.253 3.917 4.170 0.001 0.000 0.236 174 I C 2.488 178.331 176.117 -0.457 0.000 1.068 174 I CA 1.127 62.212 61.300 -0.358 0.000 1.333 174 I CB -0.382 37.409 38.000 -0.349 0.000 1.054 174 I HN 0.044 nan 8.210 nan 0.000 0.402 175 S N 0.159 115.672 115.700 -0.310 0.000 2.428 175 S HA -0.283 4.188 4.470 0.001 0.000 0.240 175 S C 1.973 176.512 174.600 -0.101 0.000 1.036 175 S CA 1.608 59.717 58.200 -0.151 0.000 1.009 175 S CB -0.500 62.761 63.200 0.101 0.000 0.803 175 S HN 0.351 nan 8.310 nan 0.000 0.486 176 R N 0.616 121.042 120.500 -0.123 0.000 2.052 176 R HA -0.016 4.325 4.340 0.001 0.000 0.226 176 R C 2.125 178.356 176.300 -0.114 0.000 1.145 176 R CA 1.318 57.370 56.100 -0.080 0.000 0.952 176 R CB -0.360 29.900 30.300 -0.067 0.000 0.847 176 R HN 0.274 nan 8.270 nan 0.000 0.431 177 V N 1.434 121.243 119.914 -0.176 0.000 2.244 177 V HA -0.226 3.894 4.120 0.001 0.000 0.244 177 V C 2.343 178.308 176.094 -0.214 0.000 1.042 177 V CA 1.733 63.925 62.300 -0.180 0.000 1.006 177 V CB -0.445 31.255 31.823 -0.206 0.000 0.641 177 V HN 0.336 nan 8.190 nan 0.000 0.446 178 L N -2.339 118.653 121.223 -0.386 0.000 2.270 178 L HA 0.125 4.466 4.340 0.001 0.000 0.210 178 L C 1.387 178.193 176.870 -0.106 0.000 1.104 178 L CA 0.888 55.494 54.840 -0.391 0.000 0.804 178 L CB -0.217 41.411 42.059 -0.717 0.000 0.937 178 L HN 0.258 nan 8.230 nan 0.000 0.450 179 F N -0.826 119.082 119.950 -0.070 0.000 2.932 179 F HA 0.481 5.009 4.527 0.002 0.000 0.267 179 F C 1.653 177.433 175.800 -0.034 0.000 1.396 179 F CA -1.039 56.935 58.000 -0.043 0.000 0.988 179 F CB -0.716 38.267 39.000 -0.029 0.000 1.938 179 F HN -0.177 nan 8.300 nan 0.000 0.471 193 Q N 0.973 120.774 119.800 0.003 0.000 2.722 193 Q HA 0.588 4.929 4.340 0.001 0.000 0.187 193 Q C -0.164 175.835 176.000 -0.000 0.000 1.110 193 Q CA -0.474 55.330 55.803 0.001 0.000 0.798 193 Q CB 0.130 28.874 28.738 0.010 0.000 3.872 193 Q HN 0.209 nan 8.270 nan 0.000 0.411 194 Q N -0.177 119.623 119.800 0.000 0.000 2.496 194 Q HA 0.167 4.508 4.340 0.001 0.000 0.286 194 Q C -0.029 175.983 176.000 0.020 0.000 1.103 194 Q CA -0.240 55.566 55.803 0.005 0.000 0.813 194 Q CB 1.640 30.372 28.738 -0.011 0.000 1.444 194 Q HN 0.834 nan 8.270 nan 0.000 0.443 195 E N -0.735 119.495 120.200 0.050 0.000 2.431 195 E HA 0.307 4.658 4.350 0.001 0.000 0.200 195 E C 0.341 177.018 176.600 0.128 0.000 0.995 195 E CA 0.245 56.688 56.400 0.072 0.000 0.915 195 E CB 0.588 30.335 29.700 0.077 0.000 0.930 195 E HN 0.517 nan 8.360 nan 0.000 0.496 196 G N 0.448 109.336 108.800 0.147 0.000 2.694 196 G HA2 0.365 4.325 3.960 0.001 0.000 0.290 196 G HA3 0.365 4.325 3.960 0.001 0.000 0.290 196 G C 0.433 175.241 174.900 -0.154 0.000 1.386 196 G CA -0.266 44.977 45.100 0.240 0.000 0.872 196 G HN 0.227 nan 8.290 nan 0.000 0.475 197 V N -1.852 117.609 119.914 -0.755 0.000 3.217 197 V HA 0.364 4.484 4.120 0.001 0.000 0.264 197 V C 0.761 176.698 176.094 -0.262 0.000 1.135 197 V CA 0.646 62.548 62.300 -0.663 0.000 1.142 197 V CB -0.948 30.179 31.823 -1.160 0.000 0.754 197 V HN 0.403 nan 8.190 nan 0.000 0.484 198 I N 2.621 123.148 120.570 -0.072 0.000 2.355 198 I HA 0.553 4.724 4.170 0.001 0.000 0.288 198 I C -0.554 175.618 176.117 0.093 0.000 0.999 198 I CA -0.827 60.549 61.300 0.127 0.000 1.163 198 I CB 1.744 39.928 38.000 0.307 0.000 1.316 198 I HN 0.142 nan 8.210 nan 0.000 0.454 199 V N 2.246 122.131 119.914 -0.049 0.000 2.823 199 V HA 0.575 4.695 4.120 0.001 0.000 0.312 199 V C -0.413 175.456 176.094 -0.375 0.000 1.072 199 V CA -0.764 61.411 62.300 -0.208 0.000 0.937 199 V CB 1.962 33.703 31.823 -0.137 0.000 1.013 199 V HN 0.803 nan 8.190 nan 0.000 0.430 200 E N 2.331 122.131 120.200 -0.668 0.000 2.319 200 E HA 0.655 5.006 4.350 0.001 0.000 0.268 200 E C -1.365 175.063 176.600 -0.287 0.000 1.050 200 E CA -0.656 55.392 56.400 -0.586 0.000 0.878 200 E CB 1.529 30.718 29.700 -0.851 0.000 1.066 200 E HN 0.757 nan 8.360 nan 0.000 0.406 201 L N 2.018 123.131 121.223 -0.183 0.000 2.327 201 L HA 0.473 4.813 4.340 0.001 0.000 0.258 201 L C -0.099 176.725 176.870 -0.077 0.000 1.024 201 L CA -1.288 53.484 54.840 -0.114 0.000 0.825 201 L CB 1.802 43.808 42.059 -0.089 0.000 1.386 201 L HN 0.394 nan 8.230 nan 0.000 0.417 202 K N 0.811 121.178 120.400 -0.055 0.000 2.185 202 K HA 0.249 4.570 4.320 0.001 0.000 0.271 202 K C 0.922 177.506 176.600 -0.026 0.000 1.013 202 K CA -0.120 56.147 56.287 -0.034 0.000 0.943 202 K CB 1.287 33.770 32.500 -0.028 0.000 0.998 202 K HN 0.496 nan 8.250 nan 0.000 0.468 203 R N 1.627 122.117 120.500 -0.017 0.000 2.170 203 R HA -0.188 4.153 4.340 0.001 0.000 0.242 203 R C 1.521 177.814 176.300 -0.012 0.000 1.145 203 R CA 1.624 57.717 56.100 -0.011 0.000 0.984 203 R CB 0.107 30.404 30.300 -0.006 0.000 0.869 203 R HN 0.648 nan 8.270 nan 0.000 0.455 204 E N 0.712 120.905 120.200 -0.013 0.000 2.051 204 E HA -0.227 4.124 4.350 0.001 0.000 0.192 204 E C 2.091 178.683 176.600 -0.012 0.000 0.991 204 E CA 1.091 57.484 56.400 -0.011 0.000 0.799 204 E CB -0.105 29.589 29.700 -0.011 0.000 0.748 204 E HN 0.413 nan 8.360 nan 0.000 0.449 205 Q N 0.678 120.468 119.800 -0.016 0.000 2.030 205 Q HA -0.162 4.178 4.340 0.001 0.000 0.204 205 Q C 2.376 178.370 176.000 -0.010 0.000 0.986 205 Q CA 1.317 57.109 55.803 -0.018 0.000 0.843 205 Q CB -0.193 28.525 28.738 -0.034 0.000 0.904 205 Q HN 0.326 nan 8.270 nan 0.000 0.420 206 I N 0.477 121.039 120.570 -0.013 0.000 2.127 206 I HA -0.329 3.842 4.170 0.001 0.000 0.241 206 I C 2.399 178.517 176.117 0.001 0.000 1.075 206 I CA 1.330 62.630 61.300 -0.001 0.000 1.334 206 I CB -0.371 37.628 38.000 -0.002 0.000 1.040 206 I HN 0.193 nan 8.210 nan 0.000 0.405 207 R N 0.512 121.006 120.500 -0.010 0.000 2.139 207 R HA -0.210 4.130 4.340 0.001 0.000 0.243 207 R C 2.122 178.400 176.300 -0.037 0.000 1.145 207 R CA 1.416 57.502 56.100 -0.023 0.000 0.976 207 R CB -0.354 29.934 30.300 -0.021 0.000 0.866 207 R HN 0.537 nan 8.270 nan 0.000 0.449 208 E N 0.662 120.853 120.200 -0.014 0.000 2.007 208 E HA -0.171 4.180 4.350 0.001 0.000 0.194 208 E C 0.389 176.994 176.600 0.008 0.000 0.999 208 E CA 1.035 57.435 56.400 0.001 0.000 0.811 208 E CB -0.136 29.586 29.700 0.037 0.000 0.762 208 E HN 0.144 nan 8.360 nan 0.000 0.450 209 L N 0.742 122.017 121.223 0.087 0.000 2.437 209 L HA 0.218 4.558 4.340 0.001 0.000 0.243 209 L C 0.265 177.208 176.870 0.123 0.000 1.346 209 L CA 0.395 55.360 54.840 0.208 0.000 1.233 209 L CB -0.305 41.888 42.059 0.223 0.000 1.436 209 L HN 0.019 nan 8.230 nan 0.000 0.416 210 T N -3.726 110.801 114.554 -0.045 0.000 3.664 210 T HA 0.020 4.371 4.350 0.001 0.000 0.301 210 T C 0.902 175.511 174.700 -0.153 0.000 0.877 210 T CA -0.089 61.985 62.100 -0.043 0.000 0.864 210 T CB -0.352 68.504 68.868 -0.020 0.000 1.209 210 T HN 0.507 nan 8.240 nan 0.000 0.764 211 K N 0.799 120.962 120.400 -0.395 0.000 2.417 211 K HA 0.239 4.560 4.320 0.001 0.000 0.196 211 K C 1.082 177.450 176.600 -0.387 0.000 1.023 211 K CA 0.030 56.094 56.287 -0.371 0.000 1.122 211 K CB -0.145 32.136 32.500 -0.364 0.000 0.850 211 K HN 0.400 nan 8.250 nan 0.000 0.521 212 H N 0.998 120.087 119.070 0.031 0.000 2.430 212 H HA 0.266 4.823 4.556 0.001 0.000 0.297 212 H C 1.208 176.549 175.328 0.022 0.000 1.016 212 H CA 0.311 56.377 56.048 0.029 0.000 1.294 212 H CB -0.508 29.278 29.762 0.040 0.000 1.465 212 H HN 0.267 nan 8.280 nan 0.000 0.547 226 Q N 0.137 119.982 119.800 0.074 0.000 2.416 226 Q HA 0.699 5.040 4.340 0.001 0.000 0.279 226 Q C -2.716 173.391 176.000 0.179 0.000 1.101 226 Q CA -1.806 54.053 55.803 0.094 0.000 0.830 226 Q CB 2.198 30.978 28.738 0.070 0.000 1.402 226 Q HN 0.095 nan 8.270 nan 0.000 0.445 227 P HA -0.056 nan 4.420 nan 0.000 0.261 227 P C -1.118 176.306 177.300 0.207 0.000 1.173 227 P CA 0.524 63.716 63.100 0.153 0.000 0.760 227 P CB -0.099 31.658 31.700 0.096 0.000 0.783 228 F N 0.357 120.308 119.950 0.002 0.000 2.598 228 F HA 0.664 5.192 4.527 0.000 0.000 0.327 228 F C -0.412 175.273 175.800 -0.191 0.000 1.057 228 F CA -1.550 56.409 58.000 -0.068 0.000 0.957 228 F CB 1.189 40.166 39.000 -0.037 0.000 1.278 228 F HN 0.150 nan 8.300 nan 0.000 0.484 229 N N 2.141 120.714 118.700 -0.212 0.000 2.399 229 N HA 0.193 4.933 4.740 0.001 0.000 0.284 229 N C 0.140 175.563 175.510 -0.145 0.000 1.025 229 N CA -0.456 52.347 53.050 -0.412 0.000 0.885 229 N CB 2.032 40.063 38.487 -0.760 0.000 1.339 229 N HN 0.897 nan 8.380 nan 0.000 0.487 230 L N 5.045 126.207 121.223 -0.101 0.000 2.012 230 L HA 0.031 4.371 4.340 0.001 0.000 0.210 230 L C 1.433 178.208 176.870 -0.158 0.000 1.073 230 L CA 1.823 56.656 54.840 -0.013 0.000 0.748 230 L CB -0.143 41.947 42.059 0.051 0.000 0.891 230 L HN 0.544 nan 8.230 nan 0.000 0.431 231 R N -0.124 120.161 120.500 -0.358 0.000 2.541 231 R HA 0.072 4.413 4.340 0.001 0.000 0.245 231 R C 0.275 176.267 176.300 -0.512 0.000 1.154 231 R CA 0.206 55.823 56.100 -0.805 0.000 1.179 231 R CB -0.994 28.847 30.300 -0.765 0.000 1.189 231 R HN 0.470 nan 8.270 nan 0.000 0.526 232 N N 1.598 120.151 118.700 -0.245 0.000 2.735 232 N HA 0.032 4.773 4.740 0.001 0.000 0.312 232 N C -1.198 174.300 175.510 -0.021 0.000 1.843 232 N CA -0.177 52.801 53.050 -0.120 0.000 0.945 232 N CB 0.339 38.761 38.487 -0.108 0.000 1.299 232 N HN 0.241 nan 8.380 nan 0.000 0.489 233 Q N -0.316 119.514 119.800 0.051 0.000 2.791 233 Q HA 0.165 4.506 4.340 0.001 0.000 0.280 233 Q C -1.461 174.658 176.000 0.198 0.000 0.928 233 Q CA -1.151 54.715 55.803 0.105 0.000 0.819 233 Q CB 0.345 29.130 28.738 0.078 0.000 1.552 233 Q HN -0.120 nan 8.270 nan 0.000 0.410 234 K N 2.219 122.684 120.400 0.108 0.000 2.440 234 K HA 0.078 4.399 4.320 0.001 0.000 0.275 234 K C -2.018 174.605 176.600 0.038 0.000 1.082 234 K CA -0.401 55.926 56.287 0.066 0.000 1.135 234 K CB -0.459 32.045 32.500 0.006 0.000 0.864 234 K HN 0.464 nan 8.250 nan 0.000 0.479 235 P HA 0.024 nan 4.420 nan 0.000 0.271 235 P C 0.893 178.041 177.300 -0.253 0.000 1.233 235 P CA -0.453 62.459 63.100 -0.314 0.000 0.789 235 P CB 0.637 31.862 31.700 -0.792 0.000 0.951 236 I N -0.168 120.196 120.570 -0.344 0.000 2.277 236 I HA -0.049 4.122 4.170 0.001 0.000 0.243 236 I C 0.798 176.497 176.117 -0.696 0.000 1.094 236 I CA 1.264 62.190 61.300 -0.623 0.000 1.393 236 I CB -0.838 36.556 38.000 -1.009 0.000 1.078 236 I HN 0.265 nan 8.210 nan 0.000 0.417 237 Y N -1.268 118.891 120.300 -0.236 0.000 2.485 237 Y HA 0.693 5.243 4.550 0.001 0.000 0.345 237 Y C 0.183 176.111 175.900 0.046 0.000 0.998 237 Y CA -1.477 56.532 58.100 -0.151 0.000 1.059 237 Y CB 1.880 40.174 38.460 -0.276 0.000 1.234 237 Y HN -0.262 nan 8.280 nan 0.000 0.461 238 S N 1.702 117.532 115.700 0.216 0.000 2.542 238 S HA 0.696 5.166 4.470 0.001 0.000 0.276 238 S C -1.671 172.983 174.600 0.089 0.000 1.148 238 S CA -0.706 57.557 58.200 0.105 0.000 0.886 238 S CB 1.001 64.181 63.200 -0.033 0.000 1.109 238 S HN 0.970 nan 8.310 nan 0.000 0.458 239 N N 1.308 120.031 118.700 0.038 0.000 3.373 239 N HA 0.301 5.041 4.740 0.001 0.000 0.275 239 N C -0.038 175.459 175.510 -0.022 0.000 1.489 239 N CA -0.831 52.234 53.050 0.025 0.000 0.872 239 N CB -0.061 38.470 38.487 0.074 0.000 1.555 239 N HN 0.361 nan 8.380 nan 0.000 0.500 240 K N -0.379 120.015 120.400 -0.010 0.000 2.089 240 K HA -0.024 4.297 4.320 0.001 0.000 0.210 240 K C 1.156 177.730 176.600 -0.043 0.000 1.048 240 K CA 1.773 58.047 56.287 -0.022 0.000 0.926 240 K CB -0.538 31.957 32.500 -0.007 0.000 0.714 240 K HN 0.426 nan 8.250 nan 0.000 0.448 241 L N -0.405 120.797 121.223 -0.036 0.000 2.492 241 L HA 0.105 4.445 4.340 0.001 0.000 0.223 241 L C 0.916 177.647 176.870 -0.232 0.000 1.132 241 L CA -0.062 54.740 54.840 -0.062 0.000 0.850 241 L CB 0.145 42.223 42.059 0.031 0.000 0.966 241 L HN 0.253 nan 8.230 nan 0.000 0.454 242 G N 0.449 108.991 108.800 -0.430 0.000 2.361 242 G HA2 0.366 4.326 3.960 0.001 0.000 0.299 242 G HA3 0.366 4.326 3.960 0.001 0.000 0.299 242 G C -1.589 172.728 174.900 -0.972 0.000 1.544 242 G CA -0.980 43.608 45.100 -0.853 0.000 0.860 242 G HN 0.096 nan 8.290 nan 0.000 0.610 243 R N -0.722 119.373 120.500 -0.674 0.000 2.807 243 R HA 0.757 5.098 4.340 0.001 0.000 0.276 243 R C -1.556 174.644 176.300 -0.165 0.000 0.979 243 R CA -1.222 54.673 56.100 -0.341 0.000 0.928 243 R CB 2.662 32.744 30.300 -0.364 0.000 1.191 243 R HN 0.520 nan 8.270 nan 0.000 0.471 244 W N 4.429 125.593 121.300 -0.226 0.000 2.424 244 W HA 0.432 5.093 4.660 0.001 0.000 0.318 244 W C -2.019 174.244 176.519 -0.426 0.000 1.016 244 W CA -2.072 55.188 57.345 -0.140 0.000 1.268 244 W CB 0.829 30.438 29.460 0.248 0.000 1.297 244 W HN 0.580 nan 8.180 nan 0.000 0.428 245 F N 4.410 124.453 119.950 0.154 0.000 2.420 245 F HA 0.380 4.907 4.527 0.001 0.000 0.342 245 F C 0.377 176.216 175.800 0.064 0.000 1.113 245 F CA -0.465 57.575 58.000 0.066 0.000 1.059 245 F CB 1.622 40.585 39.000 -0.062 0.000 1.128 245 F HN 0.287 nan 8.300 nan 0.000 0.475 246 E N 3.031 123.379 120.200 0.246 0.000 2.331 246 E HA 0.566 4.917 4.350 0.001 0.000 0.275 246 E C -2.003 174.646 176.600 0.082 0.000 0.895 246 E CA -0.963 55.509 56.400 0.119 0.000 0.753 246 E CB 2.481 32.246 29.700 0.109 0.000 1.216 246 E HN 0.534 nan 8.360 nan 0.000 0.434 247 I N 3.222 123.851 120.570 0.098 0.000 2.466 247 I HA 0.421 4.592 4.170 0.001 0.000 0.289 247 I C -0.798 175.399 176.117 0.134 0.000 1.026 247 I CA -0.215 61.155 61.300 0.117 0.000 1.078 247 I CB 1.698 39.814 38.000 0.193 0.000 1.249 247 I HN 0.599 nan 8.210 nan 0.000 0.429 248 T N 4.316 118.922 114.554 0.087 0.000 2.950 248 T HA 0.596 4.947 4.350 0.001 0.000 0.288 248 T C -2.259 172.487 174.700 0.077 0.000 1.035 248 T CA -1.888 60.287 62.100 0.125 0.000 1.028 248 T CB 1.451 70.372 68.868 0.090 0.000 1.109 248 T HN 0.364 nan 8.240 nan 0.000 0.514 249 P HA -0.108 nan 4.420 nan 0.000 0.218 249 P C 1.484 178.791 177.300 0.010 0.000 1.148 249 P CA 0.904 64.029 63.100 0.042 0.000 0.822 249 P CB 0.058 31.797 31.700 0.065 0.000 0.784 250 E N 0.920 121.134 120.200 0.023 0.000 2.130 250 E HA -0.201 4.150 4.350 0.001 0.000 0.196 250 E C 1.007 177.598 176.600 -0.014 0.000 0.998 250 E CA 1.350 57.754 56.400 0.007 0.000 0.806 250 E CB -0.760 28.947 29.700 0.011 0.000 0.738 250 E HN 0.552 nan 8.360 nan 0.000 0.459 251 K N 0.821 121.207 120.400 -0.022 0.000 2.981 251 K HA 0.282 4.603 4.320 0.001 0.000 0.213 251 K C 0.005 176.549 176.600 -0.094 0.000 1.154 251 K CA -0.333 55.928 56.287 -0.044 0.000 1.111 251 K CB 0.101 32.583 32.500 -0.030 0.000 0.975 251 K HN -0.161 nan 8.250 nan 0.000 0.462 252 N N 1.294 119.924 118.700 -0.117 0.000 4.389 252 N HA 0.014 4.754 4.740 0.001 0.000 0.182 252 N C -2.531 172.874 175.510 -0.174 0.000 1.101 252 N CA -0.735 52.184 53.050 -0.218 0.000 1.036 252 N CB 1.673 39.920 38.487 -0.400 0.000 1.596 252 N HN -0.069 nan 8.380 nan 0.000 0.880 253 P HA -0.214 nan 4.420 nan 0.000 0.214 253 P C 1.015 178.266 177.300 -0.080 0.000 1.163 253 P CA 1.462 64.509 63.100 -0.089 0.000 0.889 253 P CB 0.521 32.178 31.700 -0.071 0.000 0.790 254 Q N -0.934 118.798 119.800 -0.113 0.000 2.096 254 Q HA -0.158 4.183 4.340 0.001 0.000 0.204 254 Q C 2.350 178.339 176.000 -0.017 0.000 0.982 254 Q CA 1.102 56.877 55.803 -0.046 0.000 0.850 254 Q CB -0.634 28.099 28.738 -0.008 0.000 0.901 254 Q HN 0.166 nan 8.270 nan 0.000 0.422 255 L N 0.595 121.772 121.223 -0.077 0.000 2.141 255 L HA -0.126 4.215 4.340 0.001 0.000 0.209 255 L C 2.355 179.238 176.870 0.021 0.000 1.094 255 L CA 1.606 56.450 54.840 0.007 0.000 0.763 255 L CB -0.486 41.562 42.059 -0.018 0.000 0.908 255 L HN 0.108 nan 8.230 nan 0.000 0.437 256 R N -0.820 119.674 120.500 -0.010 0.000 2.189 256 R HA -0.124 4.216 4.340 0.001 0.000 0.223 256 R C 1.639 177.948 176.300 0.014 0.000 1.092 256 R CA 1.253 57.356 56.100 0.006 0.000 0.989 256 R CB -0.123 30.172 30.300 -0.009 0.000 0.876 256 R HN 0.370 nan 8.270 nan 0.000 0.457 257 D N 0.549 120.956 120.400 0.012 0.000 2.137 257 D HA -0.091 4.550 4.640 0.001 0.000 0.202 257 D C 1.739 178.059 176.300 0.033 0.000 0.970 257 D CA 1.064 55.074 54.000 0.016 0.000 0.837 257 D CB 0.103 40.909 40.800 0.010 0.000 0.981 257 D HN 0.302 nan 8.370 nan 0.000 0.475 258 L N 0.604 121.857 121.223 0.050 0.000 2.552 258 L HA -0.051 4.289 4.340 0.001 0.000 0.227 258 L C 0.280 177.192 176.870 0.069 0.000 1.146 258 L CA 0.044 54.930 54.840 0.076 0.000 0.858 258 L CB -0.326 41.792 42.059 0.099 0.000 0.969 258 L HN -0.022 nan 8.230 nan 0.000 0.451 259 D N 1.592 122.023 120.400 0.052 0.000 2.735 259 D HA -0.218 4.423 4.640 0.001 0.000 0.235 259 D C -0.170 176.147 176.300 0.029 0.000 1.175 259 D CA 0.930 54.956 54.000 0.044 0.000 0.683 259 D CB -0.627 40.198 40.800 0.042 0.000 1.008 259 D HN 0.477 nan 8.370 nan 0.000 0.416 260 M N -1.136 118.489 119.600 0.042 0.000 2.622 260 M HA 0.696 5.177 4.480 0.001 0.000 0.276 260 M C -0.744 175.626 176.300 0.116 0.000 1.265 260 M CA -1.252 54.046 55.300 -0.005 0.000 0.850 260 M CB 2.005 34.589 32.600 -0.026 0.000 1.720 260 M HN -0.007 nan 8.290 nan 0.000 0.465 261 F N 0.182 120.202 119.950 0.116 0.000 2.556 261 F HA 0.922 5.451 4.527 0.004 0.000 0.327 261 F C -1.248 174.629 175.800 0.130 0.000 1.059 261 F CA -1.357 56.717 58.000 0.123 0.000 0.953 261 F CB 1.222 40.292 39.000 0.117 0.000 1.227 261 F HN 0.384 nan 8.300 nan 0.000 0.478 262 I N 2.253 123.141 120.570 0.529 0.000 2.607 262 I HA 0.556 4.726 4.170 0.001 0.000 0.305 262 I C -0.509 175.777 176.117 0.282 0.000 0.995 262 I CA -0.728 60.773 61.300 0.334 0.000 1.148 262 I CB 1.765 39.918 38.000 0.256 0.000 1.323 262 I HN 0.851 nan 8.210 nan 0.000 0.461 263 R N 2.477 123.068 120.500 0.152 0.000 2.536 263 R HA 0.487 4.828 4.340 0.001 0.000 0.269 263 R C -1.753 174.371 176.300 -0.293 0.000 1.113 263 R CA -0.239 55.826 56.100 -0.057 0.000 0.948 263 R CB 1.852 32.102 30.300 -0.083 0.000 1.237 263 R HN 0.706 nan 8.270 nan 0.000 0.441 264 S N 3.398 118.841 115.700 -0.429 0.000 2.672 264 S HA 0.490 4.961 4.470 0.001 0.000 0.291 264 S C -1.643 172.630 174.600 -0.545 0.000 1.145 264 S CA -0.547 57.208 58.200 -0.742 0.000 1.013 264 S CB 1.527 64.177 63.200 -0.916 0.000 1.017 264 S HN 0.466 nan 8.310 nan 0.000 0.487 265 V N 4.074 123.479 119.914 -0.848 0.000 2.577 265 V HA 0.801 4.922 4.120 0.001 0.000 0.303 265 V C -1.937 173.922 176.094 -0.392 0.000 1.042 265 V CA -0.801 61.148 62.300 -0.585 0.000 0.872 265 V CB 1.935 33.359 31.823 -0.665 0.000 0.998 265 V HN 0.942 nan 8.190 nan 0.000 0.423 266 D N 6.341 126.630 120.400 -0.184 0.000 2.256 266 D HA 0.717 5.358 4.640 0.001 0.000 0.246 266 D C -0.411 175.804 176.300 -0.142 0.000 1.042 266 D CA -0.519 53.427 54.000 -0.091 0.000 0.841 266 D CB 1.778 42.546 40.800 -0.053 0.000 1.223 266 D HN 0.597 nan 8.370 nan 0.000 0.470 267 M N 0.702 120.274 119.600 -0.046 0.000 2.591 267 M HA 0.388 4.869 4.480 0.001 0.000 0.306 267 M C -0.274 176.010 176.300 -0.027 0.000 1.190 267 M CA -1.005 54.246 55.300 -0.083 0.000 0.889 267 M CB 2.603 35.229 32.600 0.043 0.000 1.728 267 M HN 0.074 nan 8.290 nan 0.000 0.458 268 K N 1.595 121.971 120.400 -0.040 0.000 2.185 268 K HA 0.194 4.515 4.320 0.001 0.000 0.271 268 K C -0.264 176.346 176.600 0.017 0.000 1.013 268 K CA -0.467 55.814 56.287 -0.009 0.000 0.943 268 K CB 0.734 33.224 32.500 -0.016 0.000 0.998 268 K HN 0.652 nan 8.250 nan 0.000 0.468 269 E N 0.388 120.601 120.200 0.022 0.000 2.442 269 E HA 0.047 4.397 4.350 0.001 0.000 0.262 269 E C 0.635 177.252 176.600 0.028 0.000 1.004 269 E CA 0.247 56.665 56.400 0.029 0.000 0.928 269 E CB 0.182 29.898 29.700 0.026 0.000 0.937 269 E HN 0.777 nan 8.360 nan 0.000 0.446 270 G N 2.242 111.062 108.800 0.033 0.000 2.213 270 G HA2 -0.295 3.666 3.960 0.001 0.000 0.236 270 G HA3 -0.295 3.666 3.960 0.001 0.000 0.236 270 G C 0.364 175.291 174.900 0.045 0.000 0.991 270 G CA 0.125 45.245 45.100 0.033 0.000 0.629 270 G HN 0.597 nan 8.290 nan 0.000 0.517 271 S N -0.390 115.344 115.700 0.058 0.000 2.614 271 S HA 0.695 5.166 4.470 0.001 0.000 0.265 271 S C -0.270 174.396 174.600 0.110 0.000 1.303 271 S CA 0.261 58.515 58.200 0.090 0.000 1.000 271 S CB 1.551 64.813 63.200 0.104 0.000 0.935 271 S HN 1.059 nan 8.310 nan 0.000 0.551 272 L N 2.549 123.858 121.223 0.144 0.000 2.464 272 L HA 0.582 4.922 4.340 0.001 0.000 0.266 272 L C -1.619 175.362 176.870 0.185 0.000 0.965 272 L CA -0.613 54.309 54.840 0.136 0.000 0.833 272 L CB 1.741 43.854 42.059 0.089 0.000 1.296 272 L HN 0.507 nan 8.230 nan 0.000 0.405 273 L N 5.887 127.227 121.223 0.195 0.000 2.259 273 L HA 0.484 4.825 4.340 0.001 0.000 0.288 273 L C -0.604 176.364 176.870 0.163 0.000 1.051 273 L CA -0.150 54.798 54.840 0.181 0.000 0.824 273 L CB 0.365 42.579 42.059 0.258 0.000 1.206 273 L HN 0.590 nan 8.230 nan 0.000 0.429 274 L N 6.975 128.280 121.223 0.136 0.000 2.593 274 L HA 0.024 4.365 4.340 0.001 0.000 0.287 274 L C -1.688 175.338 176.870 0.259 0.000 1.243 274 L CA -1.283 53.664 54.840 0.178 0.000 0.890 274 L CB -0.356 41.796 42.059 0.155 0.000 1.134 274 L HN 0.508 nan 8.230 nan 0.000 0.502 275 P HA -0.063 nan 4.420 nan 0.000 0.259 275 P C -0.936 176.458 177.300 0.156 0.000 1.163 275 P CA 0.820 64.023 63.100 0.171 0.000 0.760 275 P CB 0.240 32.005 31.700 0.108 0.000 0.762 276 H N 1.459 120.447 119.070 -0.137 0.000 2.990 276 H HA 0.564 5.122 4.556 0.002 0.000 0.336 276 H C -1.438 173.838 175.328 -0.086 0.000 1.306 276 H CA -0.946 54.879 56.048 -0.372 0.000 1.118 276 H CB 0.947 29.997 29.762 -1.187 0.000 1.856 276 H HN 0.480 nan 8.280 nan 0.000 0.538 277 Y N -0.408 119.719 120.300 -0.289 0.000 2.544 277 Y HA 0.489 5.040 4.550 0.002 0.000 0.342 277 Y C -1.372 174.487 175.900 -0.068 0.000 1.062 277 Y CA -1.145 56.830 58.100 -0.208 0.000 1.023 277 Y CB 1.399 39.805 38.460 -0.089 0.000 1.308 277 Y HN 0.532 nan 8.280 nan 0.000 0.457 278 N N 2.021 120.844 118.700 0.205 0.000 2.499 278 N HA 0.060 4.800 4.740 0.001 0.000 0.281 278 N C 0.528 176.212 175.510 0.291 0.000 1.098 278 N CA 0.101 53.275 53.050 0.207 0.000 0.979 278 N CB 2.037 40.667 38.487 0.239 0.000 1.121 278 N HN 0.894 nan 8.380 nan 0.000 0.466 279 S N 2.413 118.238 115.700 0.209 0.000 2.359 279 S HA -0.187 4.284 4.470 0.001 0.000 0.222 279 S C 1.291 176.001 174.600 0.182 0.000 1.038 279 S CA 1.730 60.066 58.200 0.227 0.000 1.051 279 S CB 0.127 63.409 63.200 0.137 0.000 0.944 279 S HN 0.794 nan 8.310 nan 0.000 0.433 280 K N -1.266 119.218 120.400 0.140 0.000 2.558 280 K HA 0.518 4.838 4.320 0.001 0.000 0.215 280 K C 0.085 176.720 176.600 0.059 0.000 1.298 280 K CA 0.154 56.495 56.287 0.090 0.000 1.008 280 K CB 0.435 32.981 32.500 0.077 0.000 1.073 280 K HN 0.245 nan 8.250 nan 0.000 0.606 281 A N 1.956 124.827 122.820 0.084 0.000 2.354 281 A HA 0.555 4.875 4.320 0.001 0.000 0.269 281 A C -0.317 177.246 177.584 -0.035 0.000 1.109 281 A CA -0.637 51.406 52.037 0.009 0.000 0.800 281 A CB 0.124 19.140 19.000 0.027 0.000 1.045 281 A HN 0.318 nan 8.150 nan 0.000 0.489 282 I N 2.119 122.617 120.570 -0.120 0.000 2.353 282 I HA 0.300 4.471 4.170 0.001 0.000 0.293 282 I C -0.565 175.450 176.117 -0.169 0.000 0.992 282 I CA -0.435 60.773 61.300 -0.153 0.000 1.268 282 I CB 1.677 39.563 38.000 -0.190 0.000 1.387 282 I HN 0.270 nan 8.210 nan 0.000 0.478 283 V N 7.769 127.622 119.914 -0.101 0.000 2.417 283 V HA 0.380 4.501 4.120 0.001 0.000 0.291 283 V C 0.097 176.191 176.094 0.000 0.000 1.024 283 V CA -0.478 61.810 62.300 -0.019 0.000 0.861 283 V CB 1.803 33.710 31.823 0.140 0.000 0.985 283 V HN 0.456 nan 8.190 nan 0.000 0.436 284 I N 7.023 127.618 120.570 0.042 0.000 2.310 284 I HA 0.284 4.455 4.170 0.001 0.000 0.287 284 I C -0.430 175.887 176.117 0.333 0.000 1.073 284 I CA -0.482 60.875 61.300 0.095 0.000 1.216 284 I CB 0.974 38.986 38.000 0.020 0.000 1.415 284 I HN 0.458 nan 8.210 nan 0.000 0.480 285 L N 7.740 129.162 121.223 0.332 0.000 2.322 285 L HA 0.848 5.188 4.340 0.001 0.000 0.279 285 L C -0.328 176.791 176.870 0.416 0.000 1.036 285 L CA -0.714 54.373 54.840 0.412 0.000 0.807 285 L CB 1.552 43.852 42.059 0.402 0.000 1.226 285 L HN 0.311 nan 8.230 nan 0.000 0.433 286 V N 1.595 121.781 119.914 0.453 0.000 2.604 286 V HA 0.624 4.745 4.120 0.001 0.000 0.305 286 V C -0.309 176.030 176.094 0.407 0.000 1.043 286 V CA -0.710 61.842 62.300 0.420 0.000 0.888 286 V CB 1.804 33.891 31.823 0.441 0.000 0.995 286 V HN 0.737 nan 8.190 nan 0.000 0.429 287 I N 4.371 125.147 120.570 0.345 0.000 2.337 287 I HA 0.261 4.432 4.170 0.001 0.000 0.291 287 I C 1.310 177.601 176.117 0.289 0.000 1.046 287 I CA 0.419 61.902 61.300 0.305 0.000 1.324 287 I CB 0.053 38.199 38.000 0.243 0.000 1.409 287 I HN 1.006 nan 8.210 nan 0.000 0.494 288 N N 5.533 124.413 118.700 0.299 0.000 2.081 288 N HA -0.056 4.685 4.740 0.001 0.000 0.191 288 N C 0.069 175.696 175.510 0.195 0.000 1.053 288 N CA 0.720 53.927 53.050 0.262 0.000 0.846 288 N CB 0.561 39.221 38.487 0.288 0.000 1.032 288 N HN 0.778 nan 8.380 nan 0.000 0.431 289 E N -1.453 118.851 120.200 0.173 0.000 2.343 289 E HA 0.570 4.920 4.350 0.001 0.000 0.278 289 E C -0.636 176.039 176.600 0.125 0.000 0.910 289 E CA -0.909 55.571 56.400 0.135 0.000 0.757 289 E CB 2.410 32.175 29.700 0.109 0.000 1.218 289 E HN 0.353 nan 8.360 nan 0.000 0.435 290 G N 1.469 110.334 108.800 0.108 0.000 2.384 290 G HA2 0.029 3.990 3.960 0.001 0.000 0.668 290 G HA3 0.029 3.990 3.960 0.001 0.000 0.668 290 G C -1.427 173.529 174.900 0.093 0.000 1.280 290 G CA -0.741 44.415 45.100 0.093 0.000 0.992 290 G HN 0.563 nan 8.290 nan 0.000 0.512 291 K N -0.579 119.865 120.400 0.074 0.000 2.350 291 K HA 0.915 5.236 4.320 0.001 0.000 0.241 291 K C -0.159 176.465 176.600 0.041 0.000 0.994 291 K CA -0.164 56.162 56.287 0.064 0.000 0.839 291 K CB 2.351 34.883 32.500 0.054 0.000 1.244 291 K HN 1.883 nan 8.250 nan 0.000 0.443 292 A N 1.401 124.233 122.820 0.020 0.000 2.586 292 A HA 0.382 4.703 4.320 0.001 0.000 0.296 292 A C -1.881 175.673 177.584 -0.051 0.000 1.040 292 A CA -1.004 51.023 52.037 -0.018 0.000 0.701 292 A CB 0.959 19.930 19.000 -0.048 0.000 1.277 292 A HN 0.612 nan 8.150 nan 0.000 0.413 293 N N 0.661 119.324 118.700 -0.062 0.000 2.430 293 N HA 0.620 5.361 4.740 0.001 0.000 0.292 293 N C -1.092 174.338 175.510 -0.133 0.000 1.051 293 N CA -0.142 52.858 53.050 -0.085 0.000 0.917 293 N CB 2.102 40.559 38.487 -0.049 0.000 1.164 293 N HN 0.716 nan 8.380 nan 0.000 0.484 294 I N 0.440 120.890 120.570 -0.201 0.000 2.509 294 I HA 0.269 4.440 4.170 0.001 0.000 0.293 294 I C -0.697 175.321 176.117 -0.165 0.000 1.020 294 I CA -0.582 60.547 61.300 -0.285 0.000 1.088 294 I CB 1.484 39.078 38.000 -0.676 0.000 1.267 294 I HN 0.287 nan 8.210 nan 0.000 0.430 295 E N 7.752 127.900 120.200 -0.086 0.000 2.185 295 E HA 0.366 4.716 4.350 0.001 0.000 0.261 295 E C -1.518 175.114 176.600 0.053 0.000 0.879 295 E CA -0.680 55.727 56.400 0.012 0.000 0.756 295 E CB 2.556 32.266 29.700 0.016 0.000 1.152 295 E HN 0.347 nan 8.360 nan 0.000 0.416 296 L N 4.211 125.529 121.223 0.160 0.000 2.356 296 L HA 0.455 4.795 4.340 0.001 0.000 0.277 296 L C -1.288 175.710 176.870 0.214 0.000 0.996 296 L CA -0.746 54.216 54.840 0.203 0.000 0.822 296 L CB 1.757 44.020 42.059 0.340 0.000 1.256 296 L HN 0.275 nan 8.230 nan 0.000 0.413 297 V N 5.846 125.822 119.914 0.104 0.000 2.318 297 V HA 0.732 4.853 4.120 0.001 0.000 0.271 297 V C 0.739 176.767 176.094 -0.110 0.000 1.030 297 V CA -0.027 62.286 62.300 0.022 0.000 0.844 297 V CB 0.741 32.546 31.823 -0.029 0.000 1.015 297 V HN 0.985 nan 8.190 nan 0.000 0.460 298 G N 3.511 112.265 108.800 -0.077 0.000 3.166 298 G HA2 0.447 4.408 3.960 0.001 0.000 0.267 298 G HA3 0.447 4.408 3.960 0.001 0.000 0.267 298 G C -1.000 173.746 174.900 -0.258 0.000 1.256 298 G CA -0.503 44.252 45.100 -0.575 0.000 0.859 298 G HN 0.508 nan 8.290 nan 0.000 0.590 299 Q N -0.092 119.592 119.800 -0.193 0.000 2.306 299 Q HA 0.346 4.686 4.340 0.001 0.000 0.241 299 Q C 0.090 176.237 176.000 0.245 0.000 0.948 299 Q CA -0.516 55.322 55.803 0.059 0.000 0.886 299 Q CB 0.959 29.784 28.738 0.145 0.000 1.227 299 Q HN 0.427 nan 8.270 nan 0.000 0.457 300 R N 2.728 123.317 120.500 0.148 0.000 2.442 300 R HA 0.028 4.369 4.340 0.001 0.000 0.291 300 R C -0.456 175.953 176.300 0.181 0.000 1.069 300 R CA 0.317 56.500 56.100 0.139 0.000 1.022 300 R CB 0.377 30.715 30.300 0.063 0.000 0.976 300 R HN 0.836 nan 8.270 nan 0.000 0.443 312 S N -0.666 115.022 115.700 -0.020 0.000 2.759 312 S HA 0.507 4.978 4.470 0.001 0.000 0.310 312 S C 0.045 174.703 174.600 0.098 0.000 1.123 312 S CA -0.759 57.408 58.200 -0.055 0.000 0.959 312 S CB 0.691 63.878 63.200 -0.022 0.000 1.172 312 S HN 0.311 nan 8.310 nan 0.000 0.539 313 W N 1.755 123.045 121.300 -0.016 0.000 3.223 313 W HA 0.284 4.944 4.660 0.000 0.000 0.389 313 W C 0.332 176.831 176.519 -0.034 0.000 1.118 313 W CA -0.861 56.468 57.345 -0.027 0.000 1.902 313 W CB -0.905 28.538 29.460 -0.029 0.000 1.094 313 W HN 0.828 nan 8.180 nan 0.000 0.666 314 E N 0.245 120.545 120.200 0.166 0.000 2.331 314 E HA 0.318 4.668 4.350 0.001 0.000 0.272 314 E C -0.430 176.196 176.600 0.042 0.000 1.036 314 E CA -0.413 56.038 56.400 0.084 0.000 0.864 314 E CB 2.466 32.196 29.700 0.051 0.000 1.035 314 E HN -0.178 nan 8.360 nan 0.000 0.408 315 V N 2.267 122.182 119.914 0.001 0.000 2.483 315 V HA 0.196 4.316 4.120 0.001 0.000 0.295 315 V C -0.597 175.459 176.094 -0.063 0.000 1.035 315 V CA -0.424 61.851 62.300 -0.043 0.000 0.896 315 V CB 1.542 33.322 31.823 -0.071 0.000 0.986 315 V HN 0.854 nan 8.190 nan 0.000 0.447 316 Q N 5.381 125.124 119.800 -0.095 0.000 2.301 316 Q HA 0.529 4.870 4.340 0.001 0.000 0.267 316 Q C -0.714 175.114 176.000 -0.286 0.000 1.035 316 Q CA -0.909 54.777 55.803 -0.195 0.000 0.856 316 Q CB 1.749 30.326 28.738 -0.267 0.000 1.337 316 Q HN 0.827 nan 8.270 nan 0.000 0.450 317 R N 2.195 122.508 120.500 -0.313 0.000 2.407 317 R HA 0.343 4.683 4.340 0.001 0.000 0.303 317 R C -1.666 174.429 176.300 -0.343 0.000 0.981 317 R CA -0.263 55.705 56.100 -0.221 0.000 0.905 317 R CB 0.737 30.982 30.300 -0.090 0.000 1.099 317 R HN 0.579 nan 8.270 nan 0.000 0.459 318 Y N 2.898 123.275 120.300 0.129 0.000 2.350 318 Y HA 0.443 4.994 4.550 0.002 0.000 0.338 318 Y C 0.189 176.206 175.900 0.194 0.000 0.961 318 Y CA -0.676 57.550 58.100 0.210 0.000 1.100 318 Y CB 1.725 40.392 38.460 0.345 0.000 1.179 318 Y HN 0.468 nan 8.280 nan 0.000 0.454 319 R N 2.056 122.732 120.500 0.293 0.000 2.837 319 R HA 0.974 5.315 4.340 0.001 0.000 0.271 319 R C -1.762 174.616 176.300 0.130 0.000 0.993 319 R CA -0.836 55.362 56.100 0.162 0.000 0.931 319 R CB 1.924 32.265 30.300 0.068 0.000 1.206 319 R HN 0.806 nan 8.270 nan 0.000 0.474 320 A N 2.075 124.895 122.820 -0.001 0.000 2.590 320 A HA 0.317 4.638 4.320 0.001 0.000 0.294 320 A C -1.821 175.626 177.584 -0.228 0.000 1.046 320 A CA -0.813 51.119 52.037 -0.174 0.000 0.684 320 A CB 1.634 20.512 19.000 -0.204 0.000 1.279 320 A HN 0.737 nan 8.150 nan 0.000 0.415 321 E N 1.199 121.219 120.200 -0.300 0.000 2.134 321 E HA 0.530 4.881 4.350 0.001 0.000 0.278 321 E C -1.001 175.540 176.600 -0.099 0.000 0.959 321 E CA -0.392 55.916 56.400 -0.154 0.000 0.783 321 E CB 1.396 31.046 29.700 -0.084 0.000 1.095 321 E HN 0.517 nan 8.360 nan 0.000 0.399 322 L N 2.195 123.430 121.223 0.020 0.000 2.325 322 L HA 0.504 4.845 4.340 0.001 0.000 0.279 322 L C 0.256 177.230 176.870 0.172 0.000 1.054 322 L CA -0.586 54.372 54.840 0.198 0.000 0.804 322 L CB 1.269 43.423 42.059 0.158 0.000 1.200 322 L HN 0.519 nan 8.230 nan 0.000 0.436 323 S N -0.431 115.412 115.700 0.238 0.000 2.618 323 S HA 0.293 4.763 4.470 0.001 0.000 0.277 323 S C -0.764 173.959 174.600 0.205 0.000 1.138 323 S CA -1.052 57.260 58.200 0.186 0.000 0.844 323 S CB 1.662 64.961 63.200 0.165 0.000 1.127 323 S HN 0.688 nan 8.310 nan 0.000 0.474 324 E N 0.839 121.141 120.200 0.170 0.000 3.557 324 E HA -0.196 4.154 4.350 0.001 0.000 0.264 324 E C -0.316 176.403 176.600 0.199 0.000 0.847 324 E CA 1.389 57.892 56.400 0.173 0.000 0.966 324 E CB -0.469 29.313 29.700 0.136 0.000 0.905 324 E HN 0.631 nan 8.360 nan 0.000 0.567 325 D N 1.982 122.519 120.400 0.229 0.000 2.384 325 D HA -0.166 4.475 4.640 0.001 0.000 0.170 325 D C -0.517 175.991 176.300 0.347 0.000 1.010 325 D CA 1.376 55.535 54.000 0.264 0.000 1.035 325 D CB -0.866 40.055 40.800 0.202 0.000 1.093 325 D HN 0.569 nan 8.370 nan 0.000 0.476 326 D N 0.302 120.897 120.400 0.324 0.000 2.362 326 D HA 0.260 4.901 4.640 0.001 0.000 0.238 326 D C 0.474 176.981 176.300 0.345 0.000 1.212 326 D CA 0.297 54.496 54.000 0.331 0.000 0.902 326 D CB 1.019 42.040 40.800 0.368 0.000 1.180 326 D HN -0.103 nan 8.370 nan 0.000 0.445 327 V N 1.660 121.755 119.914 0.301 0.000 2.656 327 V HA 0.430 4.550 4.120 0.001 0.000 0.307 327 V C -0.816 175.521 176.094 0.405 0.000 1.051 327 V CA -0.805 61.683 62.300 0.314 0.000 0.893 327 V CB 1.717 33.639 31.823 0.165 0.000 0.999 327 V HN 0.371 nan 8.190 nan 0.000 0.426 328 F N 5.032 125.136 119.950 0.257 0.000 2.547 328 F HA 0.715 5.245 4.527 0.005 0.000 0.316 328 F C -0.784 175.137 175.800 0.200 0.000 1.121 328 F CA -0.677 57.493 58.000 0.282 0.000 0.911 328 F CB 1.584 40.736 39.000 0.253 0.000 1.179 328 F HN 0.304 nan 8.300 nan 0.000 0.443 329 I N 6.710 127.183 120.570 -0.161 0.000 2.321 329 I HA 0.345 4.516 4.170 0.001 0.000 0.291 329 I C -0.447 175.551 176.117 -0.199 0.000 0.998 329 I CA -0.546 60.681 61.300 -0.120 0.000 1.227 329 I CB 1.211 39.132 38.000 -0.132 0.000 1.368 329 I HN 0.374 nan 8.210 nan 0.000 0.466 330 I N 9.285 129.810 120.570 -0.074 0.000 2.347 330 I HA 0.301 4.472 4.170 0.001 0.000 0.283 330 I C -2.202 173.754 176.117 -0.269 0.000 1.058 330 I CA -1.820 59.409 61.300 -0.117 0.000 1.202 330 I CB 0.775 38.813 38.000 0.064 0.000 1.386 330 I HN 0.278 nan 8.210 nan 0.000 0.475 331 P HA -0.012 nan 4.420 nan 0.000 0.267 331 P C -0.068 176.940 177.300 -0.487 0.000 1.200 331 P CA -0.106 62.590 63.100 -0.673 0.000 0.772 331 P CB 0.607 31.489 31.700 -1.363 0.000 0.855 332 A N 3.008 125.650 122.820 -0.297 0.000 2.567 332 A HA 0.276 4.597 4.320 0.001 0.000 0.240 332 A C 1.266 178.821 177.584 -0.049 0.000 1.053 332 A CA 1.285 53.257 52.037 -0.110 0.000 0.755 332 A CB -1.165 17.801 19.000 -0.057 0.000 0.978 332 A HN 0.949 nan 8.150 nan 0.000 0.507 333 T N -1.555 113.038 114.554 0.065 0.000 6.974 333 T HA -0.277 4.074 4.350 0.001 0.000 0.287 333 T C 0.109 174.820 174.700 0.018 0.000 2.146 333 T CA 1.639 63.749 62.100 0.016 0.000 3.451 333 T CB -2.852 65.983 68.868 -0.054 0.000 1.630 333 T HN 0.821 nan 8.240 nan 0.000 1.173 334 Y N 2.434 122.652 120.300 -0.137 0.000 2.359 334 Y HA 0.449 4.999 4.550 0.000 0.000 0.330 334 Y C -2.093 173.744 175.900 -0.104 0.000 1.143 334 Y CA -2.675 55.340 58.100 -0.141 0.000 1.318 334 Y CB 0.966 39.333 38.460 -0.156 0.000 1.234 334 Y HN 0.105 nan 8.280 nan 0.000 0.522 335 P HA 0.128 nan 4.420 nan 0.000 0.281 335 P C -1.170 176.138 177.300 0.013 0.000 1.252 335 P CA -0.040 63.076 63.100 0.027 0.000 0.778 335 P CB 1.377 33.085 31.700 0.014 0.000 0.895 336 V N 2.660 122.538 119.914 -0.060 0.000 3.007 336 V HA 0.863 4.984 4.120 0.001 0.000 0.311 336 V C -1.421 174.682 176.094 0.015 0.000 1.120 336 V CA -0.896 61.383 62.300 -0.035 0.000 0.980 336 V CB 2.071 33.863 31.823 -0.053 0.000 1.033 336 V HN 0.595 nan 8.190 nan 0.000 0.429 337 A N 6.448 129.296 122.820 0.046 0.000 2.398 337 A HA 0.869 5.189 4.320 0.001 0.000 0.301 337 A C -1.185 176.417 177.584 0.029 0.000 1.041 337 A CA -0.536 51.555 52.037 0.090 0.000 0.711 337 A CB 1.203 20.246 19.000 0.072 0.000 1.240 337 A HN 0.754 nan 8.150 nan 0.000 0.420 338 I N 2.112 122.716 120.570 0.057 0.000 2.474 338 I HA 0.380 4.551 4.170 0.001 0.000 0.294 338 I C -0.110 176.020 176.117 0.022 0.000 1.005 338 I CA -0.515 60.769 61.300 -0.026 0.000 1.113 338 I CB 2.103 40.047 38.000 -0.093 0.000 1.289 338 I HN 0.798 nan 8.210 nan 0.000 0.436 339 N N 4.503 123.196 118.700 -0.011 0.000 2.448 339 N HA 0.506 5.247 4.740 0.001 0.000 0.279 339 N C -0.817 174.701 175.510 0.014 0.000 1.025 339 N CA -0.455 52.608 53.050 0.021 0.000 0.898 339 N CB 1.708 40.202 38.487 0.012 0.000 1.303 339 N HN 0.759 nan 8.380 nan 0.000 0.495 340 A N 2.857 125.704 122.820 0.045 0.000 2.539 340 A HA 0.141 4.462 4.320 0.001 0.000 0.306 340 A C 1.005 178.611 177.584 0.037 0.000 1.392 340 A CA -0.314 51.750 52.037 0.045 0.000 1.060 340 A CB -0.545 18.497 19.000 0.071 0.000 1.134 340 A HN 0.695 nan 8.150 nan 0.000 0.542 341 T N -0.547 114.023 114.554 0.027 0.000 3.406 341 T HA 0.457 4.808 4.350 0.001 0.000 0.244 341 T C 0.238 174.956 174.700 0.030 0.000 0.949 341 T CA 0.272 62.388 62.100 0.025 0.000 0.926 341 T CB -0.860 68.019 68.868 0.018 0.000 1.089 341 T HN 1.367 nan 8.240 nan 0.000 0.604 342 S N 0.434 116.155 115.700 0.036 0.000 2.718 342 S HA 0.170 4.641 4.470 0.001 0.000 0.271 342 S C -2.007 172.619 174.600 0.043 0.000 0.999 342 S CA -0.976 57.247 58.200 0.038 0.000 0.899 342 S CB 0.035 63.261 63.200 0.044 0.000 1.148 342 S HN 0.336 nan 8.310 nan 0.000 0.463 343 N N 2.335 121.059 118.700 0.041 0.000 2.405 343 N HA 0.390 5.131 4.740 0.001 0.000 0.260 343 N C -0.108 175.436 175.510 0.058 0.000 1.152 343 N CA 0.122 53.196 53.050 0.040 0.000 0.948 343 N CB 0.367 38.872 38.487 0.030 0.000 1.111 343 N HN 0.667 nan 8.380 nan 0.000 0.485 344 L N 0.812 122.080 121.223 0.075 0.000 2.283 344 L HA 0.746 5.087 4.340 0.001 0.000 0.259 344 L C -0.790 176.157 176.870 0.128 0.000 1.027 344 L CA -1.030 53.876 54.840 0.110 0.000 0.828 344 L CB 2.345 44.482 42.059 0.130 0.000 1.380 344 L HN 0.234 nan 8.230 nan 0.000 0.425 345 N N 0.752 119.544 118.700 0.154 0.000 2.336 345 N HA 0.671 5.412 4.740 0.001 0.000 0.290 345 N C -1.596 174.031 175.510 0.195 0.000 1.058 345 N CA -0.537 52.569 53.050 0.095 0.000 0.865 345 N CB 1.853 40.349 38.487 0.016 0.000 1.581 345 N HN 0.709 nan 8.380 nan 0.000 0.480 346 F N 1.120 121.033 119.950 -0.061 0.000 2.588 346 F HA 0.726 5.254 4.527 0.001 0.000 0.310 346 F C -1.647 174.077 175.800 -0.127 0.000 1.082 346 F CA -1.258 56.740 58.000 -0.003 0.000 0.929 346 F CB 0.896 39.925 39.000 0.048 0.000 1.254 346 F HN 0.189 nan 8.300 nan 0.000 0.455 347 F N 1.881 121.890 119.950 0.099 0.000 2.425 347 F HA 0.815 5.343 4.527 0.001 0.000 0.331 347 F C 0.124 175.950 175.800 0.043 0.000 1.085 347 F CA -0.511 57.450 58.000 -0.064 0.000 1.028 347 F CB 2.020 40.965 39.000 -0.092 0.000 1.177 347 F HN 0.913 nan 8.300 nan 0.000 0.487 348 A N 3.186 126.081 122.820 0.126 0.000 2.455 348 A HA 0.751 5.072 4.320 0.001 0.000 0.300 348 A C -1.780 175.847 177.584 0.073 0.000 1.040 348 A CA -0.500 51.661 52.037 0.206 0.000 0.697 348 A CB 0.605 19.784 19.000 0.298 0.000 1.265 348 A HN 0.514 nan 8.150 nan 0.000 0.407 349 F N 0.984 121.038 119.950 0.173 0.000 2.422 349 F HA 0.611 5.140 4.527 0.004 0.000 0.333 349 F C 1.071 176.729 175.800 -0.236 0.000 1.095 349 F CA -0.282 57.732 58.000 0.025 0.000 1.038 349 F CB 2.338 41.313 39.000 -0.041 0.000 1.156 349 F HN 0.656 nan 8.300 nan 0.000 0.483 350 G N 3.713 112.191 108.800 -0.536 0.000 2.468 350 G HA2 0.598 4.559 3.960 0.001 0.000 0.315 350 G HA3 0.598 4.559 3.960 0.001 0.000 0.315 350 G C -1.056 173.446 174.900 -0.664 0.000 1.203 350 G CA -0.364 43.978 45.100 -1.262 0.000 0.962 350 G HN 0.362 nan 8.290 nan 0.000 0.476 351 I N 1.624 121.935 120.570 -0.430 0.000 2.440 351 I HA 0.279 4.450 4.170 0.001 0.000 0.294 351 I C 1.131 177.123 176.117 -0.209 0.000 0.995 351 I CA -0.330 60.772 61.300 -0.330 0.000 1.306 351 I CB 1.288 39.041 38.000 -0.412 0.000 1.407 351 I HN 0.794 nan 8.210 nan 0.000 0.501 352 N N 3.546 122.181 118.700 -0.108 0.000 2.756 352 N HA -0.237 4.504 4.740 0.001 0.000 0.248 352 N C 0.688 176.182 175.510 -0.027 0.000 1.062 352 N CA 0.446 53.474 53.050 -0.037 0.000 0.696 352 N CB -0.143 38.330 38.487 -0.024 0.000 0.946 352 N HN 0.800 nan 8.380 nan 0.000 0.548 353 A N 0.660 123.461 122.820 -0.032 0.000 1.935 353 A HA -0.054 4.266 4.320 0.001 0.000 0.214 353 A C 0.817 178.491 177.584 0.151 0.000 1.178 353 A CA 0.876 52.951 52.037 0.063 0.000 0.640 353 A CB -0.139 18.895 19.000 0.056 0.000 0.825 353 A HN 0.700 nan 8.150 nan 0.000 0.447 354 E N 0.737 120.999 120.200 0.104 0.000 2.966 354 E HA -0.129 4.221 4.350 0.001 0.000 0.254 354 E C -0.342 176.313 176.600 0.091 0.000 0.923 354 E CA 0.838 57.294 56.400 0.093 0.000 0.960 354 E CB -0.596 29.141 29.700 0.061 0.000 0.901 354 E HN 0.556 nan 8.360 nan 0.000 0.525 355 N N 2.150 120.904 118.700 0.091 0.000 2.776 355 N HA -0.269 4.471 4.740 0.001 0.000 0.250 355 N C -0.517 175.049 175.510 0.094 0.000 1.112 355 N CA 0.451 53.546 53.050 0.076 0.000 0.733 355 N CB -0.980 37.541 38.487 0.057 0.000 1.097 355 N HN 0.606 nan 8.380 nan 0.000 0.558 356 N N 1.417 120.200 118.700 0.138 0.000 2.525 356 N HA 0.089 4.830 4.740 0.001 0.000 0.271 356 N C -0.774 174.814 175.510 0.130 0.000 1.194 356 N CA 0.567 53.716 53.050 0.165 0.000 0.964 356 N CB 0.699 39.354 38.487 0.280 0.000 1.126 356 N HN 0.197 nan 8.380 nan 0.000 0.452 357 Q N 1.916 121.781 119.800 0.109 0.000 2.394 357 Q HA 0.371 4.711 4.340 0.001 0.000 0.273 357 Q C -0.829 175.185 176.000 0.023 0.000 1.089 357 Q CA -0.818 55.018 55.803 0.055 0.000 0.812 357 Q CB 2.400 31.152 28.738 0.023 0.000 1.353 357 Q HN 0.522 nan 8.270 nan 0.000 0.438 358 R N 1.850 122.357 120.500 0.012 0.000 2.215 358 R HA 0.399 4.740 4.340 0.001 0.000 0.336 358 R C -0.594 175.616 176.300 -0.149 0.000 0.996 358 R CA -0.299 55.784 56.100 -0.028 0.000 0.847 358 R CB 0.486 30.852 30.300 0.110 0.000 1.127 358 R HN 0.461 nan 8.270 nan 0.000 0.465 359 N N 4.084 122.518 118.700 -0.443 0.000 2.501 359 N HA 0.204 4.944 4.740 0.001 0.000 0.245 359 N C -1.071 174.183 175.510 -0.426 0.000 0.974 359 N CA -0.325 52.423 53.050 -0.504 0.000 0.941 359 N CB 0.959 38.800 38.487 -1.076 0.000 1.122 359 N HN 0.250 nan 8.380 nan 0.000 0.507 360 F N 1.639 121.497 119.950 -0.154 0.000 2.410 360 F HA 0.224 4.753 4.527 0.002 0.000 0.348 360 F C 1.476 177.250 175.800 -0.043 0.000 1.106 360 F CA -0.579 57.371 58.000 -0.083 0.000 1.163 360 F CB 1.125 40.009 39.000 -0.194 0.000 1.129 360 F HN 0.332 nan 8.300 nan 0.000 0.516 361 L N 3.348 124.652 121.223 0.135 0.000 2.611 361 L HA 0.449 4.789 4.340 0.001 0.000 0.229 361 L C 0.494 177.418 176.870 0.089 0.000 1.137 361 L CA -0.039 54.868 54.840 0.113 0.000 0.901 361 L CB -0.582 41.549 42.059 0.120 0.000 1.098 361 L HN 0.643 nan 8.230 nan 0.000 0.456 362 A N -0.770 122.111 122.820 0.102 0.000 2.610 362 A HA 0.783 5.104 4.320 0.001 0.000 0.291 362 A C -0.052 177.535 177.584 0.004 0.000 1.086 362 A CA -0.052 52.011 52.037 0.043 0.000 0.677 362 A CB 0.904 19.929 19.000 0.042 0.000 1.278 362 A HN 0.212 nan 8.150 nan 0.000 0.414 363 G N -0.155 108.618 108.800 -0.045 0.000 2.757 363 G HA2 0.072 4.033 3.960 0.001 0.000 0.638 363 G HA3 0.072 4.033 3.960 0.001 0.000 0.638 363 G C 0.255 175.086 174.900 -0.115 0.000 1.344 363 G CA 0.795 45.832 45.100 -0.105 0.000 0.855 363 G HN 1.199 nan 8.290 nan 0.000 0.537 364 E N 0.202 120.312 120.200 -0.150 0.000 2.024 364 E HA 0.112 4.462 4.350 0.001 0.000 0.190 364 E C 1.505 178.008 176.600 -0.161 0.000 0.974 364 E CA 1.056 57.377 56.400 -0.131 0.000 0.810 364 E CB -0.029 29.599 29.700 -0.119 0.000 0.775 364 E HN 0.564 nan 8.360 nan 0.000 0.453 365 K N 1.205 121.457 120.400 -0.247 0.000 2.368 365 K HA -0.047 4.274 4.320 0.001 0.000 0.282 365 K C -0.852 175.564 176.600 -0.306 0.000 1.035 365 K CA 0.421 56.546 56.287 -0.270 0.000 0.973 365 K CB 0.327 32.630 32.500 -0.328 0.000 0.957 365 K HN 0.168 nan 8.250 nan 0.000 0.474 366 D N 1.947 122.259 120.400 -0.146 0.000 2.689 366 D HA -0.224 4.417 4.640 0.001 0.000 0.237 366 D C -0.781 175.543 176.300 0.040 0.000 1.148 366 D CA 0.739 54.718 54.000 -0.034 0.000 0.656 366 D CB -1.000 39.825 40.800 0.041 0.000 1.050 366 D HN 0.608 nan 8.370 nan 0.000 0.426 367 N N 0.834 119.532 118.700 -0.003 0.000 2.801 367 N HA 0.157 4.898 4.740 0.001 0.000 0.235 367 N C 1.554 177.078 175.510 0.023 0.000 1.069 367 N CA -0.084 52.984 53.050 0.030 0.000 0.946 367 N CB 0.970 39.454 38.487 -0.005 0.000 1.212 367 N HN 0.027 nan 8.380 nan 0.000 0.509 368 V N 2.354 122.283 119.914 0.024 0.000 2.317 368 V HA -0.282 3.839 4.120 0.001 0.000 0.251 368 V C 2.330 178.455 176.094 0.051 0.000 1.065 368 V CA 1.146 63.463 62.300 0.028 0.000 1.049 368 V CB -0.730 31.109 31.823 0.027 0.000 0.651 368 V HN 0.481 nan 8.190 nan 0.000 0.450 369 I N 2.256 122.867 120.570 0.069 0.000 2.113 369 I HA -0.276 3.894 4.170 0.001 0.000 0.242 369 I C 2.640 178.793 176.117 0.060 0.000 1.057 369 I CA 2.813 64.163 61.300 0.085 0.000 1.314 369 I CB -1.264 36.778 38.000 0.071 0.000 1.022 369 I HN 0.743 nan 8.210 nan 0.000 0.408 370 S N -0.408 115.310 115.700 0.030 0.000 2.720 370 S HA 0.022 4.493 4.470 0.001 0.000 0.222 370 S C 1.242 175.850 174.600 0.014 0.000 0.958 370 S CA 0.239 58.447 58.200 0.014 0.000 0.943 370 S CB -0.058 63.138 63.200 -0.007 0.000 0.779 370 S HN 0.385 nan 8.310 nan 0.000 0.526 371 E N 0.680 120.894 120.200 0.024 0.000 2.489 371 E HA 0.342 4.692 4.350 0.001 0.000 0.204 371 E C 0.058 176.674 176.600 0.027 0.000 1.006 371 E CA -0.130 56.281 56.400 0.019 0.000 0.936 371 E CB 0.419 30.128 29.700 0.016 0.000 1.002 371 E HN 0.628 nan 8.360 nan 0.000 0.488 372 I N 4.753 125.348 120.570 0.041 0.000 2.471 372 I HA 0.069 4.239 4.170 0.001 0.000 0.286 372 I C -1.965 174.176 176.117 0.041 0.000 1.079 372 I CA -1.622 59.706 61.300 0.047 0.000 1.398 372 I CB 0.588 38.632 38.000 0.074 0.000 1.403 372 I HN -0.249 nan 8.210 nan 0.000 0.530 373 P HA 0.051 nan 4.420 nan 0.000 0.271 373 P C 0.656 177.977 177.300 0.034 0.000 1.216 373 P CA -0.115 63.000 63.100 0.026 0.000 0.771 373 P CB 0.803 32.514 31.700 0.019 0.000 0.864 374 T N 3.074 117.647 114.554 0.031 0.000 2.564 374 T HA -0.259 4.091 4.350 0.001 0.000 0.264 374 T C 1.339 176.063 174.700 0.039 0.000 1.100 374 T CA 2.446 64.568 62.100 0.036 0.000 1.171 374 T CB -0.841 68.041 68.868 0.023 0.000 0.863 374 T HN 0.550 nan 8.240 nan 0.000 0.430 375 E N 0.579 120.796 120.200 0.027 0.000 2.301 375 E HA -0.106 4.245 4.350 0.001 0.000 0.202 375 E C 2.035 178.649 176.600 0.024 0.000 1.017 375 E CA 0.809 57.222 56.400 0.023 0.000 0.831 375 E CB -0.605 29.105 29.700 0.016 0.000 0.742 375 E HN 0.397 nan 8.360 nan 0.000 0.491 376 V N 0.490 120.421 119.914 0.029 0.000 2.436 376 V HA -0.089 4.032 4.120 0.001 0.000 0.240 376 V C 2.002 178.119 176.094 0.037 0.000 1.040 376 V CA 1.224 63.536 62.300 0.021 0.000 1.052 376 V CB -0.526 31.306 31.823 0.016 0.000 0.707 376 V HN 0.311 nan 8.190 nan 0.000 0.469 377 L N -0.297 120.980 121.223 0.089 0.000 2.456 377 L HA -0.012 4.328 4.340 0.001 0.000 0.224 377 L C 1.925 178.923 176.870 0.213 0.000 1.148 377 L CA 1.801 56.761 54.840 0.200 0.000 0.825 377 L CB -0.980 41.258 42.059 0.298 0.000 0.937 377 L HN 0.357 nan 8.230 nan 0.000 0.450 378 D N 0.946 121.412 120.400 0.111 0.000 2.149 378 D HA -0.129 4.511 4.640 0.001 0.000 0.201 378 D C 1.932 178.271 176.300 0.066 0.000 0.972 378 D CA 1.123 55.176 54.000 0.088 0.000 0.835 378 D CB 0.247 41.078 40.800 0.052 0.000 0.966 378 D HN 0.166 nan 8.370 nan 0.000 0.476 379 V N -0.348 119.584 119.914 0.031 0.000 3.052 379 V HA -0.029 4.092 4.120 0.001 0.000 0.254 379 V C 2.357 178.417 176.094 -0.055 0.000 1.100 379 V CA 1.411 63.708 62.300 -0.004 0.000 1.112 379 V CB -0.188 31.626 31.823 -0.014 0.000 0.738 379 V HN 0.227 nan 8.190 nan 0.000 0.469 380 T N 0.298 114.792 114.554 -0.099 0.000 2.701 380 T HA 0.029 4.379 4.350 0.001 0.000 0.263 380 T C 0.457 174.881 174.700 -0.459 0.000 1.040 380 T CA 1.358 63.260 62.100 -0.331 0.000 1.147 380 T CB -0.210 68.363 68.868 -0.492 0.000 0.865 380 T HN 0.299 nan 8.240 nan 0.000 0.426 381 F N 1.021 120.966 119.950 -0.009 0.000 2.432 381 F HA 0.354 4.882 4.527 0.001 0.000 0.329 381 F C -1.207 174.590 175.800 -0.004 0.000 1.076 381 F CA -2.550 55.446 58.000 -0.007 0.000 1.018 381 F CB 0.762 39.758 39.000 -0.006 0.000 1.201 381 F HN -0.132 nan 8.300 nan 0.000 0.489 382 P HA -0.183 nan 4.420 nan 0.000 0.214 382 P C 0.457 177.812 177.300 0.091 0.000 1.163 382 P CA 1.271 64.429 63.100 0.097 0.000 0.889 382 P CB -0.244 31.502 31.700 0.078 0.000 0.790 383 A N 0.743 123.620 122.820 0.096 0.000 2.482 383 A HA 0.202 4.523 4.320 0.001 0.000 0.249 383 A C 0.827 178.449 177.584 0.063 0.000 1.114 383 A CA 0.436 52.508 52.037 0.059 0.000 0.797 383 A CB -0.655 18.362 19.000 0.029 0.000 1.067 383 A HN 0.409 nan 8.150 nan 0.000 0.514 384 S N -0.233 115.489 115.700 0.037 0.000 2.592 384 S HA 0.423 4.893 4.470 0.001 0.000 0.271 384 S C 1.375 175.997 174.600 0.036 0.000 1.326 384 S CA -0.245 57.976 58.200 0.035 0.000 1.024 384 S CB 1.052 64.264 63.200 0.020 0.000 0.921 384 S HN 1.431 nan 8.310 nan 0.000 0.527 385 G N 1.123 109.949 108.800 0.043 0.000 2.469 385 G HA2 -0.206 3.755 3.960 0.001 0.000 0.220 385 G HA3 -0.206 3.755 3.960 0.001 0.000 0.220 385 G C 1.240 176.150 174.900 0.016 0.000 1.136 385 G CA 0.577 45.703 45.100 0.043 0.000 0.759 385 G HN 0.748 nan 8.290 nan 0.000 0.562 386 E N 0.679 120.884 120.200 0.009 0.000 2.110 386 E HA -0.056 4.294 4.350 0.001 0.000 0.193 386 E C 2.459 179.051 176.600 -0.013 0.000 0.988 386 E CA 0.788 57.187 56.400 -0.002 0.000 0.804 386 E CB -0.193 29.507 29.700 -0.001 0.000 0.745 386 E HN 0.464 nan 8.360 nan 0.000 0.458 387 K N 0.345 120.737 120.400 -0.013 0.000 2.007 387 K HA -0.039 4.282 4.320 0.001 0.000 0.206 387 K C 2.302 178.870 176.600 -0.053 0.000 1.047 387 K CA 0.867 57.138 56.287 -0.026 0.000 0.937 387 K CB -0.168 32.321 32.500 -0.018 0.000 0.718 387 K HN -0.084 nan 8.250 nan 0.000 0.438 388 V N 1.950 121.825 119.914 -0.064 0.000 2.231 388 V HA -0.305 3.816 4.120 0.001 0.000 0.248 388 V C 2.604 178.623 176.094 -0.125 0.000 1.054 388 V CA 1.849 64.061 62.300 -0.147 0.000 1.015 388 V CB -0.503 31.218 31.823 -0.170 0.000 0.638 388 V HN 0.436 nan 8.190 nan 0.000 0.444 389 Q N 0.645 120.405 119.800 -0.068 0.000 2.029 389 Q HA -0.309 4.031 4.340 0.001 0.000 0.209 389 Q C 2.324 178.292 176.000 -0.054 0.000 0.999 389 Q CA 2.595 58.368 55.803 -0.050 0.000 0.857 389 Q CB -0.530 28.196 28.738 -0.021 0.000 0.926 389 Q HN 0.632 nan 8.270 nan 0.000 0.415 390 K N -0.079 120.294 120.400 -0.045 0.000 2.077 390 K HA -0.188 4.133 4.320 0.001 0.000 0.213 390 K C 2.201 178.771 176.600 -0.051 0.000 1.051 390 K CA 1.693 57.956 56.287 -0.041 0.000 0.929 390 K CB -0.473 32.007 32.500 -0.033 0.000 0.715 390 K HN 0.296 nan 8.250 nan 0.000 0.451 391 L N 1.230 122.412 121.223 -0.068 0.000 2.042 391 L HA -0.213 4.128 4.340 0.001 0.000 0.210 391 L C 2.066 178.888 176.870 -0.080 0.000 1.076 391 L CA 1.696 56.489 54.840 -0.078 0.000 0.749 391 L CB -0.721 41.273 42.059 -0.108 0.000 0.893 391 L HN 0.271 nan 8.230 nan 0.000 0.432 392 I N 0.556 121.071 120.570 -0.092 0.000 2.099 392 I HA -0.316 3.854 4.170 0.001 0.000 0.239 392 I C 2.465 178.548 176.117 -0.056 0.000 1.066 392 I CA 1.360 62.613 61.300 -0.078 0.000 1.324 392 I CB -1.300 36.655 38.000 -0.076 0.000 1.037 392 I HN 0.332 nan 8.210 nan 0.000 0.401 393 K N 1.088 121.459 120.400 -0.049 0.000 2.519 393 K HA -0.200 4.121 4.320 0.001 0.000 0.196 393 K C 1.992 178.568 176.600 -0.040 0.000 1.041 393 K CA 0.762 57.024 56.287 -0.042 0.000 0.954 393 K CB 0.098 32.577 32.500 -0.035 0.000 0.774 393 K HN 0.209 nan 8.250 nan 0.000 0.480 394 K N 0.563 120.938 120.400 -0.042 0.000 1.963 394 K HA -0.126 4.195 4.320 0.001 0.000 0.216 394 K C 0.575 177.154 176.600 -0.036 0.000 1.045 394 K CA 1.064 57.329 56.287 -0.036 0.000 0.954 394 K CB 0.009 32.487 32.500 -0.036 0.000 0.732 394 K HN 0.049 nan 8.250 nan 0.000 0.442 395 Q N 1.605 121.383 119.800 -0.037 0.000 2.317 395 Q HA -0.079 4.262 4.340 0.001 0.000 0.286 395 Q C 0.348 176.319 176.000 -0.047 0.000 1.198 395 Q CA 0.409 56.190 55.803 -0.038 0.000 0.973 395 Q CB 0.842 29.559 28.738 -0.036 0.000 1.207 395 Q HN 0.276 nan 8.270 nan 0.000 0.416 396 S N 3.104 118.777 115.700 -0.044 0.000 2.603 396 S HA -0.011 4.460 4.470 0.001 0.000 0.220 396 S C 0.366 174.928 174.600 -0.063 0.000 0.967 396 S CA 0.029 58.199 58.200 -0.050 0.000 0.920 396 S CB 0.372 63.548 63.200 -0.040 0.000 0.773 396 S HN 0.421 nan 8.310 nan 0.000 0.529 397 E N 1.078 121.240 120.200 -0.064 0.000 2.385 397 E HA 0.458 4.809 4.350 0.001 0.000 0.254 397 E C -0.572 175.946 176.600 -0.137 0.000 1.228 397 E CA -0.129 56.225 56.400 -0.078 0.000 0.956 397 E CB 1.240 30.910 29.700 -0.050 0.000 1.116 397 E HN 0.109 nan 8.360 nan 0.000 0.507 398 S N 0.621 116.213 115.700 -0.181 0.000 2.548 398 S HA 0.136 4.607 4.470 0.001 0.000 0.276 398 S C 0.172 174.484 174.600 -0.479 0.000 1.129 398 S CA -0.697 57.294 58.200 -0.349 0.000 0.931 398 S CB 1.730 64.708 63.200 -0.369 0.000 1.068 398 S HN 0.572 nan 8.310 nan 0.000 0.480 399 Q N 1.178 120.520 119.800 -0.763 0.000 1.816 399 Q HA -0.295 4.046 4.340 0.001 0.000 0.173 399 Q C -0.400 175.276 176.000 -0.541 0.000 2.940 399 Q CA 2.105 57.347 55.803 -0.936 0.000 0.195 399 Q CB -1.508 26.280 28.738 -1.584 0.000 0.243 399 Q HN 0.629 nan 8.270 nan 0.000 0.361 400 F N 1.648 121.530 119.950 -0.113 0.000 2.313 400 F HA 0.672 5.199 4.527 0.001 0.000 0.369 400 F C 0.627 176.408 175.800 -0.032 0.000 1.109 400 F CA -0.683 57.306 58.000 -0.020 0.000 1.132 400 F CB 1.432 40.435 39.000 0.005 0.000 1.291 400 F HN 0.126 nan 8.300 nan 0.000 0.496 401 V N 2.155 122.151 119.914 0.137 0.000 3.285 401 V HA 0.435 4.556 4.120 0.001 0.000 0.302 401 V C -0.179 175.960 176.094 0.076 0.000 1.247 401 V CA -0.410 61.934 62.300 0.073 0.000 1.035 401 V CB 2.281 34.120 31.823 0.025 0.000 1.223 401 V HN 0.637 nan 8.190 nan 0.000 0.475 402 D N -0.366 120.062 120.400 0.046 0.000 2.315 402 D HA 0.730 5.371 4.640 0.001 0.000 0.275 402 D C -0.240 176.084 176.300 0.041 0.000 1.218 402 D CA 0.915 54.939 54.000 0.039 0.000 1.040 402 D CB 1.194 42.008 40.800 0.024 0.000 1.123 402 D HN 1.069 nan 8.370 nan 0.000 0.541 403 A N 0.000 122.838 122.820 0.031 0.000 2.254 403 A HA 0.000 4.321 4.320 0.001 0.000 0.244 403 A CA 0.000 52.054 52.037 0.028 0.000 0.836 403 A CB 0.000 19.021 19.000 0.036 0.000 0.831 403 A HN 0.000 nan 8.150 nan 0.000 0.486