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 1gff_1_1 DATA FIRST_RESID 10 DATA SEQUENCE VPHDLSHLVF EAGKIGRLKT ISWTPVVAGD SFECDMVGAI RLSPLRRGLA DATA SEQUENCE VDSRVDIFSF YIPHRHIYGQ QWINFMKDGV NASPLPPVTC SSGWDSAAYL DATA SEQUENCE GTIPSSTLKV PKFLHQGYLN IYNNYFKPPW SDDLTYANPS NMPSEDYKWG DATA SEQUENCE VRVANLKSIW TAPLPPDTRT SENMTTGTST IDIMGLQAAY AKLHTEQERD DATA SEQUENCE YFMTRYRDIM KEFGGHTSYD GDNRPLLLMR SEFWASGYDV DGTDQSSLGQ DATA SEQUENCE FSGRVQQTFN HKVPRFYVPE HGVIMTLAVT RFPPTHEMEM HYLVGKENLT DATA SEQUENCE YTDIACDPAL MANLPPREVS LKEFFHSSPD SAKFKIAEGQ WYRTQPDRVA DATA SEQUENCE FPYNALDGFP FYSALPSTDL KDRVLVNTNN YDEIFQSMQL AHWNMQTKFN DATA SEQUENCE INVYRHMPTT RDSIMTS 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 10 V HA 0.000 nan 4.120 nan 0.000 0.244 10 V C 0.000 176.247 176.094 0.255 0.000 1.182 10 V CA 0.000 62.437 62.300 0.229 0.000 1.235 10 V CB 0.000 31.867 31.823 0.074 0.000 1.184 11 P HA 0.241 nan 4.420 nan 0.000 0.263 11 P C -1.088 176.081 177.300 -0.219 0.000 1.195 11 P CA 0.497 63.332 63.100 -0.443 0.000 0.762 11 P CB -0.138 31.248 31.700 -0.524 0.000 0.799 12 H N 1.809 120.722 119.070 -0.262 0.000 2.685 12 H HA 0.148 4.704 4.556 -0.000 0.000 0.307 12 H C -0.332 174.915 175.328 -0.134 0.000 1.017 12 H CA -0.547 55.422 56.048 -0.132 0.000 1.237 12 H CB 1.227 30.951 29.762 -0.064 0.000 1.409 12 H HN 0.360 nan 8.280 nan 0.000 0.488 13 D N 4.829 125.203 120.400 -0.044 0.000 2.359 13 D HA 0.046 4.686 4.640 -0.000 0.000 0.250 13 D C 0.199 176.505 176.300 0.011 0.000 1.264 13 D CA -0.139 53.837 54.000 -0.041 0.000 0.911 13 D CB 0.313 41.082 40.800 -0.053 0.000 1.056 13 D HN 0.510 nan 8.370 nan 0.000 0.499 14 L N 2.598 123.839 121.223 0.030 0.000 2.984 14 L HA 0.210 4.550 4.340 -0.000 0.000 0.246 14 L C 0.726 177.697 176.870 0.167 0.000 1.268 14 L CA -0.377 54.507 54.840 0.074 0.000 1.054 14 L CB 0.128 42.232 42.059 0.075 0.000 1.393 14 L HN 0.154 nan 8.230 nan 0.000 0.532 15 S N 0.128 115.898 115.700 0.116 0.000 2.584 15 S HA 0.351 4.821 4.470 -0.000 0.000 0.270 15 S C -0.398 174.333 174.600 0.218 0.000 1.346 15 S CA -0.072 58.198 58.200 0.116 0.000 1.018 15 S CB 0.375 63.587 63.200 0.020 0.000 0.899 15 S HN 0.639 nan 8.310 nan 0.000 0.542 16 H N -1.691 117.415 119.070 0.060 0.000 3.005 16 H HA 0.479 5.035 4.556 -0.000 0.000 0.311 16 H C -1.576 173.814 175.328 0.103 0.000 1.366 16 H CA -1.132 54.951 56.048 0.058 0.000 1.210 16 H CB -0.047 29.727 29.762 0.021 0.000 1.894 16 H HN 0.380 nan 8.280 nan 0.000 0.520 17 L N 1.600 122.900 121.223 0.127 0.000 2.399 17 L HA 0.608 4.947 4.340 -0.000 0.000 0.266 17 L C -0.370 176.579 176.870 0.132 0.000 1.114 17 L CA -1.404 53.458 54.840 0.036 0.000 0.804 17 L CB 1.608 43.716 42.059 0.083 0.000 1.146 17 L HN 0.543 nan 8.230 nan 0.000 0.451 18 V N 2.661 122.553 119.914 -0.037 0.000 2.525 18 V HA 0.451 4.571 4.120 -0.000 0.000 0.299 18 V C -1.308 174.678 176.094 -0.180 0.000 1.034 18 V CA -0.226 62.133 62.300 0.098 0.000 0.863 18 V CB 1.525 33.552 31.823 0.340 0.000 0.999 18 V HN 0.470 nan 8.190 nan 0.000 0.423 19 F N 5.639 125.681 119.950 0.153 0.000 2.325 19 F HA 0.597 5.124 4.527 -0.000 0.000 0.369 19 F C 0.610 176.486 175.800 0.127 0.000 1.095 19 F CA -0.354 57.720 58.000 0.122 0.000 1.082 19 F CB 1.378 40.426 39.000 0.080 0.000 1.289 19 F HN 0.531 nan 8.300 nan 0.000 0.462 20 E N 1.957 122.312 120.200 0.258 0.000 2.281 20 E HA 0.940 5.290 4.350 -0.000 0.000 0.257 20 E C -1.018 175.606 176.600 0.040 0.000 0.971 20 E CA -1.576 54.943 56.400 0.197 0.000 0.839 20 E CB 2.371 32.275 29.700 0.339 0.000 1.238 20 E HN 0.530 nan 8.360 nan 0.000 0.412 21 A N 0.040 122.713 122.820 -0.245 0.000 2.586 21 A HA 0.661 4.981 4.320 -0.000 0.000 0.298 21 A C -0.814 176.369 177.584 -0.668 0.000 1.013 21 A CA -0.067 51.616 52.037 -0.590 0.000 0.707 21 A CB 1.361 20.267 19.000 -0.157 0.000 1.276 21 A HN 0.763 nan 8.150 nan 0.000 0.414 22 G N 0.781 108.832 108.800 -1.248 0.000 2.489 22 G HA2 0.574 4.534 3.960 -0.000 0.000 0.305 22 G HA3 0.574 4.534 3.960 -0.000 0.000 0.305 22 G C -1.041 173.364 174.900 -0.825 0.000 1.311 22 G CA -0.670 44.082 45.100 -0.580 0.000 0.813 22 G HN 0.652 nan 8.290 nan 0.000 0.480 23 K N -0.906 119.263 120.400 -0.384 0.000 2.761 23 K HA 0.435 4.755 4.320 -0.000 0.000 0.286 23 K C 1.155 177.796 176.600 0.068 0.000 1.019 23 K CA -0.765 55.261 56.287 -0.435 0.000 1.070 23 K CB 0.607 32.814 32.500 -0.488 0.000 1.387 23 K HN 0.181 nan 8.250 nan 0.000 0.509 24 I N 0.147 120.679 120.570 -0.063 0.000 2.364 24 I HA -0.020 4.150 4.170 -0.000 0.000 0.241 24 I C 1.549 177.674 176.117 0.012 0.000 1.082 24 I CA 1.444 62.766 61.300 0.036 0.000 1.401 24 I CB -0.933 37.061 38.000 -0.011 0.000 1.126 24 I HN 0.739 nan 8.210 nan 0.000 0.429 25 G N 2.118 110.962 108.800 0.073 0.000 4.098 25 G HA2 0.279 4.239 3.960 -0.000 0.000 0.300 25 G HA3 0.279 4.239 3.960 -0.000 0.000 0.300 25 G C 0.262 175.231 174.900 0.114 0.000 1.187 25 G CA -0.308 44.851 45.100 0.099 0.000 0.964 25 G HN 0.138 nan 8.290 nan 0.000 0.559 26 R N 0.047 120.621 120.500 0.123 0.000 2.534 26 R HA 0.409 4.748 4.340 -0.000 0.000 0.301 26 R C -1.327 175.072 176.300 0.166 0.000 0.961 26 R CA -0.964 55.222 56.100 0.144 0.000 0.871 26 R CB 2.420 32.820 30.300 0.167 0.000 1.170 26 R HN 0.122 nan 8.270 nan 0.000 0.446 27 L N 2.927 124.223 121.223 0.121 0.000 2.367 27 L HA 0.261 4.600 4.340 -0.000 0.000 0.275 27 L C -0.414 176.629 176.870 0.289 0.000 1.129 27 L CA 0.630 55.526 54.840 0.092 0.000 0.839 27 L CB 0.324 42.312 42.059 -0.117 0.000 1.133 27 L HN 0.557 nan 8.230 nan 0.000 0.453 28 K N 2.306 122.891 120.400 0.309 0.000 2.513 28 K HA 0.453 4.772 4.320 -0.000 0.000 0.251 28 K C -1.054 175.751 176.600 0.341 0.000 0.939 28 K CA -0.435 56.063 56.287 0.352 0.000 0.793 28 K CB 1.487 34.215 32.500 0.380 0.000 1.241 28 K HN 0.592 nan 8.250 nan 0.000 0.431 29 T N 5.074 119.817 114.554 0.315 0.000 2.814 29 T HA 0.186 4.536 4.350 -0.000 0.000 0.297 29 T C 1.218 176.078 174.700 0.268 0.000 0.956 29 T CA -0.316 61.958 62.100 0.290 0.000 1.123 29 T CB 0.141 69.152 68.868 0.238 0.000 0.902 29 T HN 0.649 nan 8.240 nan 0.000 0.528 30 I N 0.018 120.761 120.570 0.288 0.000 4.035 30 I HA 0.479 4.649 4.170 -0.000 0.000 0.321 30 I C 0.649 176.887 176.117 0.201 0.000 1.289 30 I CA -0.287 61.197 61.300 0.307 0.000 1.236 30 I CB 0.609 38.861 38.000 0.421 0.000 1.076 30 I HN 0.463 nan 8.210 nan 0.000 0.418 31 S N 1.309 117.071 115.700 0.104 0.000 2.558 31 S HA 0.523 4.993 4.470 -0.000 0.000 0.277 31 S C -2.330 172.310 174.600 0.067 0.000 1.143 31 S CA -0.659 57.470 58.200 -0.117 0.000 0.865 31 S CB 1.317 64.053 63.200 -0.775 0.000 1.102 31 S HN 0.438 nan 8.310 nan 0.000 0.454 32 W N 1.826 123.088 121.300 -0.065 0.000 3.274 32 W HA 0.607 5.267 4.660 -0.000 0.000 0.327 32 W C -2.008 174.513 176.519 0.005 0.000 1.172 32 W CA -0.813 56.528 57.345 -0.006 0.000 1.217 32 W CB 0.725 30.203 29.460 0.029 0.000 1.376 32 W HN 0.549 nan 8.180 nan 0.000 0.507 33 T N 4.644 119.329 114.554 0.219 0.000 2.864 33 T HA 0.326 4.676 4.350 -0.000 0.000 0.299 33 T C -2.620 172.237 174.700 0.261 0.000 1.011 33 T CA -1.211 60.977 62.100 0.147 0.000 0.975 33 T CB 1.728 70.745 68.868 0.249 0.000 0.962 33 T HN 0.048 nan 8.240 nan 0.000 0.448 34 P HA 0.224 nan 4.420 nan 0.000 0.267 34 P C -0.396 177.001 177.300 0.163 0.000 1.205 34 P CA -0.315 62.955 63.100 0.283 0.000 0.765 34 P CB 0.435 32.361 31.700 0.377 0.000 0.828 35 V N 2.172 122.138 119.914 0.086 0.000 2.715 35 V HA 0.744 4.864 4.120 -0.000 0.000 0.310 35 V C 0.071 176.145 176.094 -0.032 0.000 1.054 35 V CA -1.218 61.120 62.300 0.064 0.000 0.928 35 V CB 1.887 33.771 31.823 0.101 0.000 1.007 35 V HN 0.428 nan 8.190 nan 0.000 0.437 36 V N 1.565 121.400 119.914 -0.131 0.000 2.732 36 V HA 0.944 5.064 4.120 -0.000 0.000 0.310 36 V C 0.686 176.505 176.094 -0.459 0.000 1.053 36 V CA -0.218 61.777 62.300 -0.507 0.000 0.957 36 V CB 1.348 32.923 31.823 -0.412 0.000 1.018 36 V HN 2.031 nan 8.190 nan 0.000 0.452 37 A N 3.372 125.732 122.820 -0.766 0.000 2.561 37 A HA 0.492 4.812 4.320 -0.000 0.000 0.251 37 A C 1.537 179.031 177.584 -0.151 0.000 1.062 37 A CA 0.790 52.705 52.037 -0.204 0.000 0.761 37 A CB -1.093 18.012 19.000 0.174 0.000 0.986 37 A HN 2.848 nan 8.150 nan 0.000 0.510 38 G N 2.317 110.982 108.800 -0.226 0.000 2.176 38 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.232 38 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.232 38 G C -0.198 174.633 174.900 -0.115 0.000 0.986 38 G CA 0.412 45.393 45.100 -0.199 0.000 0.643 38 G HN 1.352 nan 8.290 nan 0.000 0.522 39 D N 0.782 121.112 120.400 -0.118 0.000 2.229 39 D HA 0.614 5.254 4.640 -0.000 0.000 0.249 39 D C 0.419 176.736 176.300 0.028 0.000 1.027 39 D CA 0.011 54.017 54.000 0.009 0.000 0.923 39 D CB 1.344 42.155 40.800 0.017 0.000 1.174 39 D HN 0.619 nan 8.370 nan 0.000 0.443 40 S N 0.300 116.093 115.700 0.154 0.000 2.480 40 S HA 0.577 5.046 4.470 -0.000 0.000 0.286 40 S C -0.699 174.076 174.600 0.293 0.000 1.180 40 S CA -0.994 57.333 58.200 0.211 0.000 1.075 40 S CB 0.371 63.714 63.200 0.238 0.000 0.996 40 S HN 0.486 nan 8.310 nan 0.000 0.487 41 F N 2.481 122.535 119.950 0.173 0.000 2.507 41 F HA 0.607 5.133 4.527 -0.000 0.000 0.325 41 F C -0.712 175.189 175.800 0.168 0.000 1.116 41 F CA -0.767 57.332 58.000 0.165 0.000 0.930 41 F CB 1.620 40.724 39.000 0.173 0.000 1.146 41 F HN 0.872 nan 8.300 nan 0.000 0.447 42 E N 5.192 125.143 120.200 -0.415 0.000 2.331 42 E HA 0.597 4.947 4.350 -0.000 0.000 0.275 42 E C -1.889 174.382 176.600 -0.549 0.000 0.895 42 E CA -1.012 55.223 56.400 -0.274 0.000 0.753 42 E CB 1.803 31.471 29.700 -0.052 0.000 1.216 42 E HN 0.704 nan 8.360 nan 0.000 0.434 43 C N 1.854 120.990 119.300 -0.272 0.000 2.888 43 C HA 0.604 5.064 4.460 -0.000 0.000 0.308 43 C C -1.807 173.180 174.990 -0.005 0.000 1.213 43 C CA -0.369 58.568 59.018 -0.136 0.000 1.461 43 C CB 1.637 29.410 27.740 0.056 0.000 1.934 43 C HN 0.921 nan 8.230 nan 0.000 0.474 44 D N 4.723 125.121 120.400 -0.003 0.000 2.389 44 D HA 0.275 4.914 4.640 -0.000 0.000 0.256 44 D C -0.672 175.587 176.300 -0.068 0.000 1.239 44 D CA -0.009 53.972 54.000 -0.031 0.000 0.925 44 D CB 1.012 41.772 40.800 -0.067 0.000 1.145 44 D HN 0.757 nan 8.370 nan 0.000 0.542 45 M N 4.733 124.298 119.600 -0.059 0.000 2.080 45 M HA 0.419 4.899 4.480 -0.000 0.000 0.350 45 M C -1.601 174.513 176.300 -0.310 0.000 1.173 45 M CA -0.599 54.515 55.300 -0.311 0.000 1.052 45 M CB 0.991 33.436 32.600 -0.258 0.000 1.577 45 M HN 0.184 nan 8.290 nan 0.000 0.455 46 V N 6.103 125.746 119.914 -0.452 0.000 2.569 46 V HA 0.981 5.101 4.120 -0.000 0.000 0.301 46 V C -0.503 175.207 176.094 -0.640 0.000 1.044 46 V CA 0.205 62.199 62.300 -0.509 0.000 0.874 46 V CB 1.593 33.219 31.823 -0.328 0.000 1.002 46 V HN 1.036 nan 8.190 nan 0.000 0.424 47 G N 4.355 112.563 108.800 -0.987 0.000 2.634 47 G HA2 0.863 4.823 3.960 -0.000 0.000 0.309 47 G HA3 0.863 4.823 3.960 -0.000 0.000 0.309 47 G C -1.258 173.146 174.900 -0.827 0.000 1.299 47 G CA -0.149 44.461 45.100 -0.817 0.000 0.798 47 G HN 1.512 nan 8.290 nan 0.000 0.490 48 A N -0.701 121.907 122.820 -0.353 0.000 2.386 48 A HA 0.745 5.065 4.320 -0.000 0.000 0.311 48 A C -1.416 176.341 177.584 0.288 0.000 1.068 48 A CA -0.535 51.505 52.037 0.005 0.000 0.743 48 A CB 1.694 20.706 19.000 0.021 0.000 1.258 48 A HN 1.351 nan 8.150 nan 0.000 0.429 49 I N 1.368 122.205 120.570 0.445 0.000 2.378 49 I HA 0.622 4.792 4.170 -0.000 0.000 0.291 49 I C -0.178 176.092 176.117 0.255 0.000 0.992 49 I CA -0.493 61.032 61.300 0.375 0.000 1.154 49 I CB 1.092 39.250 38.000 0.263 0.000 1.315 49 I HN 0.707 nan 8.210 nan 0.000 0.448 50 R N 6.023 126.677 120.500 0.256 0.000 2.740 50 R HA 0.685 5.025 4.340 -0.000 0.000 0.282 50 R C -1.439 175.010 176.300 0.248 0.000 0.969 50 R CA -0.976 55.253 56.100 0.214 0.000 0.918 50 R CB 1.715 32.128 30.300 0.187 0.000 1.175 50 R HN 0.421 nan 8.270 nan 0.000 0.464 51 L N 0.581 121.941 121.223 0.228 0.000 2.352 51 L HA 0.398 4.738 4.340 -0.000 0.000 0.269 51 L C 0.079 177.108 176.870 0.266 0.000 1.034 51 L CA 0.024 55.052 54.840 0.314 0.000 0.806 51 L CB 2.001 44.286 42.059 0.377 0.000 1.244 51 L HN 0.633 nan 8.230 nan 0.000 0.447 52 S N 2.364 118.181 115.700 0.194 0.000 2.576 52 S HA 0.187 4.657 4.470 -0.000 0.000 0.272 52 S C -2.353 172.455 174.600 0.345 0.000 1.352 52 S CA -0.617 57.647 58.200 0.107 0.000 1.021 52 S CB 0.013 63.019 63.200 -0.324 0.000 0.887 52 S HN 0.415 nan 8.310 nan 0.000 0.542 53 P HA 0.140 nan 4.420 nan 0.000 0.267 53 P C -0.907 176.485 177.300 0.154 0.000 1.209 53 P CA -0.231 62.949 63.100 0.133 0.000 0.763 53 P CB -0.076 31.667 31.700 0.072 0.000 0.816 54 L N 2.439 123.689 121.223 0.046 0.000 2.416 54 L HA 0.502 4.842 4.340 -0.000 0.000 0.262 54 L C 1.743 178.569 176.870 -0.073 0.000 1.093 54 L CA -0.499 54.293 54.840 -0.081 0.000 0.801 54 L CB 0.108 42.028 42.059 -0.231 0.000 1.191 54 L HN 0.148 nan 8.230 nan 0.000 0.459 55 R N -0.283 120.153 120.500 -0.106 0.000 2.189 55 R HA 0.032 4.372 4.340 -0.000 0.000 0.223 55 R C 0.477 176.726 176.300 -0.087 0.000 1.092 55 R CA 1.129 57.184 56.100 -0.075 0.000 0.989 55 R CB -0.117 30.141 30.300 -0.071 0.000 0.876 55 R HN 0.751 nan 8.270 nan 0.000 0.457 56 R N -1.432 118.981 120.500 -0.144 0.000 3.176 56 R HA 0.483 4.822 4.340 -0.000 0.000 0.247 56 R C -0.088 176.152 176.300 -0.099 0.000 1.382 56 R CA -0.703 55.328 56.100 -0.115 0.000 1.040 56 R CB 0.141 30.312 30.300 -0.215 0.000 1.426 56 R HN -0.050 nan 8.270 nan 0.000 0.485 57 G N 0.831 109.592 108.800 -0.065 0.000 2.572 57 G HA2 0.376 4.336 3.960 -0.000 0.000 0.261 57 G HA3 0.376 4.336 3.960 -0.000 0.000 0.261 57 G C -0.014 174.811 174.900 -0.126 0.000 1.197 57 G CA -1.030 44.035 45.100 -0.060 0.000 0.870 57 G HN 0.350 nan 8.290 nan 0.000 0.548 58 L N 0.378 121.550 121.223 -0.085 0.000 2.514 58 L HA 0.269 4.609 4.340 -0.000 0.000 0.280 58 L C 1.355 178.198 176.870 -0.045 0.000 1.223 58 L CA 0.284 55.084 54.840 -0.067 0.000 0.864 58 L CB 0.872 42.917 42.059 -0.022 0.000 1.118 58 L HN 0.677 nan 8.230 nan 0.000 0.494 59 A N 3.097 125.894 122.820 -0.038 0.000 1.878 59 A HA 0.386 4.705 4.320 -0.000 0.000 0.201 59 A C 0.089 177.689 177.584 0.027 0.000 1.684 59 A CA 0.230 52.301 52.037 0.056 0.000 1.113 59 A CB 0.961 20.079 19.000 0.197 0.000 1.131 59 A HN 0.433 nan 8.150 nan 0.000 0.472 60 V N 1.612 121.502 119.914 -0.040 0.000 2.711 60 V HA 0.497 4.617 4.120 -0.000 0.000 0.304 60 V C -2.294 173.864 176.094 0.106 0.000 1.097 60 V CA -0.890 61.400 62.300 -0.016 0.000 0.906 60 V CB 1.807 33.565 31.823 -0.109 0.000 1.015 60 V HN 0.303 nan 8.190 nan 0.000 0.427 61 D N 4.165 124.633 120.400 0.113 0.000 2.424 61 D HA 0.362 5.002 4.640 -0.000 0.000 0.244 61 D C 0.378 176.932 176.300 0.423 0.000 1.134 61 D CA 0.588 54.723 54.000 0.225 0.000 0.881 61 D CB 1.564 42.465 40.800 0.168 0.000 1.191 61 D HN 0.842 nan 8.370 nan 0.000 0.445 62 S N 2.001 117.862 115.700 0.267 0.000 2.585 62 S HA 0.436 4.906 4.470 -0.000 0.000 0.277 62 S C 0.059 174.582 174.600 -0.128 0.000 1.241 62 S CA -1.003 57.144 58.200 -0.088 0.000 1.041 62 S CB 1.875 64.635 63.200 -0.733 0.000 0.987 62 S HN 0.444 nan 8.310 nan 0.000 0.512 63 R N 1.480 121.657 120.500 -0.538 0.000 2.474 63 R HA 0.663 5.003 4.340 -0.000 0.000 0.295 63 R C -1.602 174.176 176.300 -0.869 0.000 0.980 63 R CA -0.638 54.813 56.100 -1.082 0.000 0.934 63 R CB 1.143 30.418 30.300 -1.708 0.000 1.101 63 R HN 0.631 nan 8.270 nan 0.000 0.469 64 V N 3.418 122.732 119.914 -1.000 0.000 2.604 64 V HA 0.328 4.447 4.120 -0.000 0.000 0.305 64 V C -1.155 174.450 176.094 -0.815 0.000 1.043 64 V CA -0.792 60.906 62.300 -1.004 0.000 0.888 64 V CB 2.100 33.039 31.823 -1.474 0.000 0.995 64 V HN 0.829 nan 8.190 nan 0.000 0.429 65 D N 3.946 123.978 120.400 -0.614 0.000 2.593 65 D HA 0.638 5.278 4.640 -0.000 0.000 0.251 65 D C -0.771 175.190 176.300 -0.564 0.000 1.140 65 D CA -0.117 53.544 54.000 -0.564 0.000 0.855 65 D CB 1.986 42.565 40.800 -0.368 0.000 1.267 65 D HN 0.358 nan 8.370 nan 0.000 0.532 66 I N 2.507 122.674 120.570 -0.671 0.000 2.406 66 I HA 0.454 4.624 4.170 -0.000 0.000 0.290 66 I C -0.883 174.837 176.117 -0.661 0.000 0.999 66 I CA -0.801 60.172 61.300 -0.546 0.000 1.124 66 I CB 0.955 38.596 38.000 -0.598 0.000 1.289 66 I HN 0.168 nan 8.210 nan 0.000 0.441 67 F N 3.022 122.897 119.950 -0.125 0.000 2.551 67 F HA 0.493 5.020 4.527 -0.000 0.000 0.316 67 F C 0.116 175.886 175.800 -0.050 0.000 1.089 67 F CA -0.617 57.334 58.000 -0.082 0.000 0.915 67 F CB 2.196 41.331 39.000 0.224 0.000 1.186 67 F HN 0.222 nan 8.300 nan 0.000 0.456 68 S N 2.912 118.590 115.700 -0.037 0.000 2.605 68 S HA 0.721 5.191 4.470 -0.000 0.000 0.308 68 S C -1.236 173.166 174.600 -0.330 0.000 1.113 68 S CA -0.572 57.622 58.200 -0.009 0.000 1.049 68 S CB 0.677 63.948 63.200 0.118 0.000 1.001 68 S HN 0.377 nan 8.310 nan 0.000 0.480 69 F N 1.526 121.466 119.950 -0.016 0.000 2.611 69 F HA 0.550 5.076 4.527 -0.000 0.000 0.324 69 F C -0.648 175.075 175.800 -0.128 0.000 1.061 69 F CA -1.024 56.919 58.000 -0.095 0.000 0.954 69 F CB 1.215 40.169 39.000 -0.077 0.000 1.301 69 F HN 0.522 nan 8.300 nan 0.000 0.482 70 Y N 3.605 123.822 120.300 -0.139 0.000 2.326 70 Y HA 0.602 5.152 4.550 -0.000 0.000 0.331 70 Y C -0.932 174.823 175.900 -0.242 0.000 0.962 70 Y CA -1.704 56.218 58.100 -0.297 0.000 1.167 70 Y CB 1.255 39.407 38.460 -0.513 0.000 1.148 70 Y HN 0.482 nan 8.280 nan 0.000 0.463 71 I N 8.897 129.112 120.570 -0.592 0.000 2.437 71 I HA 0.580 4.750 4.170 -0.000 0.000 0.279 71 I C -2.930 172.668 176.117 -0.864 0.000 1.028 71 I CA -2.604 58.342 61.300 -0.591 0.000 1.142 71 I CB 1.559 39.409 38.000 -0.250 0.000 1.266 71 I HN 0.344 nan 8.210 nan 0.000 0.461 72 P HA 0.114 nan 4.420 nan 0.000 0.267 72 P C -0.056 176.879 177.300 -0.608 0.000 1.200 72 P CA 0.329 62.918 63.100 -0.851 0.000 0.772 72 P CB 0.503 31.855 31.700 -0.581 0.000 0.855 73 H N 0.822 119.515 119.070 -0.629 0.000 2.353 73 H HA -0.095 4.461 4.556 -0.000 0.000 0.300 73 H C 2.241 177.288 175.328 -0.469 0.000 1.090 73 H CA 1.186 56.818 56.048 -0.693 0.000 1.327 73 H CB 0.072 29.008 29.762 -1.377 0.000 1.383 73 H HN 0.386 nan 8.280 nan 0.000 0.508 74 R N 0.283 120.539 120.500 -0.407 0.000 2.119 74 R HA -0.209 4.131 4.340 -0.000 0.000 0.246 74 R C 1.844 178.222 176.300 0.131 0.000 1.146 74 R CA 1.720 57.826 56.100 0.010 0.000 0.962 74 R CB -0.294 30.114 30.300 0.179 0.000 0.863 74 R HN 0.604 nan 8.270 nan 0.000 0.442 75 H N -1.125 117.898 119.070 -0.078 0.000 2.457 75 H HA -0.147 4.408 4.556 -0.000 0.000 0.297 75 H C 1.616 176.886 175.328 -0.096 0.000 1.092 75 H CA 1.427 57.437 56.048 -0.063 0.000 1.309 75 H CB 0.229 29.941 29.762 -0.084 0.000 1.382 75 H HN 0.187 nan 8.280 nan 0.000 0.535 76 I N -1.147 119.404 120.570 -0.033 0.000 2.729 76 I HA -0.133 4.037 4.170 -0.000 0.000 0.256 76 I C 1.207 177.151 176.117 -0.287 0.000 1.115 76 I CA 0.978 62.142 61.300 -0.228 0.000 1.446 76 I CB -0.115 37.640 38.000 -0.408 0.000 1.176 76 I HN 0.114 nan 8.210 nan 0.000 0.446 77 Y N 0.528 120.861 120.300 0.055 0.000 2.462 77 Y HA 0.483 5.033 4.550 -0.000 0.000 0.261 77 Y C 1.826 177.802 175.900 0.126 0.000 1.146 77 Y CA 0.085 58.244 58.100 0.098 0.000 1.283 77 Y CB -0.655 37.894 38.460 0.148 0.000 1.090 77 Y HN 0.173 nan 8.280 nan 0.000 0.526 78 G N 0.853 109.794 108.800 0.235 0.000 2.614 78 G HA2 -0.516 3.444 3.960 -0.000 0.000 0.303 78 G HA3 -0.516 3.444 3.960 -0.000 0.000 0.303 78 G C 1.011 176.058 174.900 0.244 0.000 1.270 78 G CA 1.036 46.247 45.100 0.185 0.000 0.988 78 G HN 0.302 nan 8.290 nan 0.000 0.551 79 Q N -0.407 119.492 119.800 0.164 0.000 2.197 79 Q HA -0.130 4.209 4.340 -0.000 0.000 0.207 79 Q C 2.711 178.805 176.000 0.155 0.000 0.984 79 Q CA 2.753 58.640 55.803 0.141 0.000 0.869 79 Q CB -0.395 28.395 28.738 0.088 0.000 0.906 79 Q HN 0.727 nan 8.270 nan 0.000 0.426 80 Q N -1.214 118.696 119.800 0.183 0.000 2.135 80 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 80 Q C 1.730 177.840 176.000 0.183 0.000 0.981 80 Q CA 1.615 57.520 55.803 0.169 0.000 0.856 80 Q CB -0.480 28.374 28.738 0.194 0.000 0.902 80 Q HN 0.718 nan 8.270 nan 0.000 0.425 81 W N 0.828 122.176 121.300 0.081 0.000 2.409 81 W HA -0.174 4.486 4.660 -0.000 0.000 0.299 81 W C 1.494 178.078 176.519 0.110 0.000 1.203 81 W CA 0.759 58.118 57.345 0.024 0.000 1.298 81 W CB -0.121 29.397 29.460 0.096 0.000 1.127 81 W HN 0.154 nan 8.180 nan 0.000 0.528 82 I N 1.738 122.380 120.570 0.120 0.000 2.151 82 I HA -0.387 3.783 4.170 -0.000 0.000 0.243 82 I C 1.894 177.955 176.117 -0.095 0.000 1.080 82 I CA 2.089 63.394 61.300 0.009 0.000 1.339 82 I CB -1.484 36.581 38.000 0.108 0.000 1.039 82 I HN 0.162 nan 8.210 nan 0.000 0.409 83 N N 0.398 119.078 118.700 -0.033 0.000 2.188 83 N HA -0.207 4.533 4.740 -0.000 0.000 0.184 83 N C 2.007 177.455 175.510 -0.103 0.000 1.018 83 N CA 0.888 53.910 53.050 -0.047 0.000 0.858 83 N CB -0.281 38.207 38.487 0.001 0.000 0.989 83 N HN 0.209 nan 8.380 nan 0.000 0.426 84 F N 1.932 121.702 119.950 -0.300 0.000 2.095 84 F HA -0.164 4.363 4.527 -0.000 0.000 0.298 84 F C 2.325 177.836 175.800 -0.482 0.000 1.104 84 F CA 1.351 59.117 58.000 -0.390 0.000 1.232 84 F CB -0.062 38.641 39.000 -0.494 0.000 0.987 84 F HN -0.054 nan 8.300 nan 0.000 0.475 85 M N 0.538 119.864 119.600 -0.457 0.000 2.175 85 M HA -0.163 4.317 4.480 -0.000 0.000 0.264 85 M C 2.020 178.127 176.300 -0.321 0.000 1.063 85 M CA 1.550 56.560 55.300 -0.483 0.000 1.119 85 M CB -1.028 31.265 32.600 -0.512 0.000 1.377 85 M HN 0.173 nan 8.290 nan 0.000 0.415 86 K N -0.063 120.191 120.400 -0.244 0.000 2.001 86 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 86 K C 1.604 178.095 176.600 -0.181 0.000 1.048 86 K CA 1.287 57.476 56.287 -0.164 0.000 0.932 86 K CB -0.448 31.986 32.500 -0.110 0.000 0.715 86 K HN 0.220 nan 8.250 nan 0.000 0.437 87 D N -0.031 120.242 120.400 -0.211 0.000 2.158 87 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 87 D C 1.314 177.460 176.300 -0.256 0.000 0.995 87 D CA 1.457 55.331 54.000 -0.210 0.000 0.846 87 D CB -0.294 40.374 40.800 -0.220 0.000 0.941 87 D HN 0.429 nan 8.370 nan 0.000 0.456 88 G N -0.326 108.256 108.800 -0.363 0.000 2.509 88 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.259 88 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.259 88 G C 1.113 175.772 174.900 -0.402 0.000 1.169 88 G CA 0.188 45.074 45.100 -0.357 0.000 0.953 88 G HN 0.251 nan 8.290 nan 0.000 0.563 89 V N 1.360 121.118 119.914 -0.260 0.000 2.370 89 V HA -0.163 3.957 4.120 -0.000 0.000 0.252 89 V C 2.023 177.996 176.094 -0.203 0.000 1.068 89 V CA 2.870 65.047 62.300 -0.206 0.000 1.061 89 V CB -0.385 31.362 31.823 -0.126 0.000 0.656 89 V HN 0.625 nan 8.190 nan 0.000 0.455 90 N N -0.188 118.395 118.700 -0.195 0.000 2.273 90 N HA 0.287 5.027 4.740 -0.000 0.000 0.231 90 N C 0.138 175.541 175.510 -0.179 0.000 1.134 90 N CA 0.515 53.474 53.050 -0.152 0.000 0.856 90 N CB 0.500 38.923 38.487 -0.106 0.000 1.068 90 N HN 0.458 nan 8.380 nan 0.000 0.510 91 A N 0.299 122.938 122.820 -0.301 0.000 2.445 91 A HA 0.311 4.631 4.320 -0.000 0.000 0.242 91 A C 0.642 178.139 177.584 -0.145 0.000 1.075 91 A CA -0.088 51.758 52.037 -0.320 0.000 0.777 91 A CB 0.323 18.861 19.000 -0.770 0.000 1.013 91 A HN 0.197 nan 8.150 nan 0.000 0.493 92 S N 3.067 118.754 115.700 -0.021 0.000 2.549 92 S HA 0.319 4.789 4.470 -0.000 0.000 0.286 92 S C -2.110 172.582 174.600 0.153 0.000 1.314 92 S CA -0.537 57.692 58.200 0.049 0.000 1.062 92 S CB -0.093 63.137 63.200 0.049 0.000 0.865 92 S HN 0.636 nan 8.310 nan 0.000 0.498 93 P HA 0.093 nan 4.420 nan 0.000 0.267 93 P C -0.750 176.595 177.300 0.075 0.000 1.200 93 P CA -0.197 62.992 63.100 0.149 0.000 0.772 93 P CB 0.271 32.021 31.700 0.083 0.000 0.855 94 L N 4.639 125.841 121.223 -0.034 0.000 2.407 94 L HA 0.211 4.551 4.340 -0.000 0.000 0.282 94 L C -1.677 175.181 176.870 -0.019 0.000 1.110 94 L CA -1.797 52.928 54.840 -0.192 0.000 0.863 94 L CB -0.274 41.446 42.059 -0.566 0.000 1.207 94 L HN 0.220 nan 8.230 nan 0.000 0.454 95 P HA 0.151 nan 4.420 nan 0.000 0.265 95 P C -2.290 175.069 177.300 0.099 0.000 1.222 95 P CA -0.916 62.227 63.100 0.071 0.000 0.767 95 P CB -0.133 31.612 31.700 0.075 0.000 0.801 96 P HA 0.083 nan 4.420 nan 0.000 0.274 96 P C -0.242 177.061 177.300 0.005 0.000 1.264 96 P CA -0.171 62.941 63.100 0.021 0.000 0.795 96 P CB 0.413 32.101 31.700 -0.021 0.000 1.064 97 V N -1.041 118.848 119.914 -0.041 0.000 2.966 97 V HA 0.422 4.542 4.120 -0.000 0.000 0.317 97 V C 0.715 176.753 176.094 -0.092 0.000 1.070 97 V CA -0.412 61.860 62.300 -0.046 0.000 1.008 97 V CB 1.519 33.318 31.823 -0.040 0.000 1.070 97 V HN 0.637 nan 8.190 nan 0.000 0.457 98 T N 0.947 115.445 114.554 -0.094 0.000 2.928 98 T HA 0.529 4.879 4.350 -0.000 0.000 0.284 98 T C -0.560 174.034 174.700 -0.178 0.000 1.008 98 T CA -0.158 61.874 62.100 -0.113 0.000 1.057 98 T CB 0.613 69.434 68.868 -0.079 0.000 1.018 98 T HN 0.802 nan 8.240 nan 0.000 0.493 99 C N 1.600 120.789 119.300 -0.185 0.000 3.154 99 C HA 0.730 5.190 4.460 -0.000 0.000 0.312 99 C C 0.235 175.088 174.990 -0.229 0.000 1.349 99 C CA -0.773 58.092 59.018 -0.255 0.000 1.518 99 C CB 2.045 29.618 27.740 -0.278 0.000 1.934 99 C HN 0.908 nan 8.230 nan 0.000 0.462 100 S N 0.689 116.195 115.700 -0.323 0.000 2.562 100 S HA 0.251 4.721 4.470 -0.000 0.000 0.275 100 S C 0.180 174.657 174.600 -0.205 0.000 1.281 100 S CA 0.002 58.041 58.200 -0.268 0.000 1.045 100 S CB 1.150 64.132 63.200 -0.363 0.000 0.962 100 S HN 0.752 nan 8.310 nan 0.000 0.503 101 S N 2.780 118.405 115.700 -0.124 0.000 2.858 101 S HA 0.400 4.869 4.470 -0.000 0.000 0.328 101 S C 0.216 174.761 174.600 -0.092 0.000 1.149 101 S CA 0.008 58.153 58.200 -0.091 0.000 1.421 101 S CB -1.287 61.868 63.200 -0.075 0.000 1.461 101 S HN 0.900 nan 8.310 nan 0.000 0.587 102 G N 3.908 112.657 108.800 -0.085 0.000 2.405 102 G HA2 0.248 4.208 3.960 -0.000 0.000 0.312 102 G HA3 0.248 4.208 3.960 -0.000 0.000 0.312 102 G C -0.038 174.885 174.900 0.038 0.000 1.579 102 G CA -0.827 44.231 45.100 -0.070 0.000 0.933 102 G HN 0.515 nan 8.290 nan 0.000 0.628 103 W N 1.345 122.592 121.300 -0.088 0.000 2.424 103 W HA 0.024 4.684 4.660 -0.000 0.000 0.264 103 W C 1.350 177.798 176.519 -0.119 0.000 1.229 103 W CA 1.416 58.705 57.345 -0.094 0.000 1.208 103 W CB 0.079 29.497 29.460 -0.071 0.000 1.127 103 W HN 0.692 nan 8.180 nan 0.000 0.588 104 D N -1.879 118.579 120.400 0.097 0.000 2.755 104 D HA 0.037 4.677 4.640 -0.000 0.000 0.257 104 D C 0.826 177.097 176.300 -0.049 0.000 1.291 104 D CA 0.014 53.992 54.000 -0.036 0.000 0.836 104 D CB -0.137 40.605 40.800 -0.097 0.000 1.059 104 D HN -0.099 nan 8.370 nan 0.000 0.486 105 S N -0.903 114.733 115.700 -0.106 0.000 2.572 105 S HA 0.496 4.965 4.470 -0.000 0.000 0.228 105 S C 0.991 175.347 174.600 -0.407 0.000 0.963 105 S CA 0.239 58.245 58.200 -0.324 0.000 0.939 105 S CB -0.028 62.972 63.200 -0.334 0.000 0.804 105 S HN 0.414 nan 8.310 nan 0.000 0.480 106 A N -0.456 122.189 122.820 -0.291 0.000 2.701 106 A HA 0.735 5.054 4.320 -0.000 0.000 0.241 106 A C 1.748 179.059 177.584 -0.454 0.000 1.231 106 A CA 0.641 52.406 52.037 -0.454 0.000 1.003 106 A CB -0.787 17.970 19.000 -0.404 0.000 1.281 106 A HN 0.605 nan 8.150 nan 0.000 0.600 107 A N 0.620 123.297 122.820 -0.238 0.000 1.935 107 A HA -0.323 3.997 4.320 -0.000 0.000 0.224 107 A C 1.997 179.484 177.584 -0.162 0.000 1.324 107 A CA 2.401 54.325 52.037 -0.187 0.000 0.686 107 A CB -1.527 17.329 19.000 -0.240 0.000 0.837 107 A HN 1.637 nan 8.150 nan 0.000 0.481 108 Y N -0.939 119.247 120.300 -0.189 0.000 2.465 108 Y HA 0.105 4.654 4.550 -0.000 0.000 0.289 108 Y C 1.334 177.041 175.900 -0.322 0.000 1.150 108 Y CA 1.246 59.183 58.100 -0.271 0.000 1.293 108 Y CB -0.497 37.675 38.460 -0.481 0.000 0.977 108 Y HN 0.198 nan 8.280 nan 0.000 0.556 109 L N 0.738 121.499 121.223 -0.771 0.000 2.667 109 L HA 0.385 4.725 4.340 -0.000 0.000 0.232 109 L C 1.508 178.262 176.870 -0.193 0.000 1.138 109 L CA 0.212 54.689 54.840 -0.605 0.000 0.921 109 L CB -0.288 41.228 42.059 -0.906 0.000 1.180 109 L HN 0.474 nan 8.230 nan 0.000 0.487 110 G N 1.385 110.138 108.800 -0.080 0.000 2.390 110 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.299 110 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.299 110 G C 0.183 175.171 174.900 0.147 0.000 1.002 110 G CA 1.012 46.163 45.100 0.085 0.000 0.979 110 G HN 0.365 nan 8.290 nan 0.000 0.513 111 T N -0.898 113.668 114.554 0.019 0.000 2.889 111 T HA 0.538 4.887 4.350 -0.000 0.000 0.315 111 T C -0.116 174.544 174.700 -0.066 0.000 1.291 111 T CA -0.756 61.381 62.100 0.062 0.000 1.028 111 T CB 1.058 69.996 68.868 0.117 0.000 1.235 111 T HN 0.344 nan 8.240 nan 0.000 0.491 112 I N 5.131 125.674 120.570 -0.045 0.000 2.396 112 I HA 0.283 4.453 4.170 -0.000 0.000 0.289 112 I C -1.808 174.251 176.117 -0.097 0.000 1.056 112 I CA -2.093 59.154 61.300 -0.088 0.000 1.365 112 I CB 1.519 39.452 38.000 -0.111 0.000 1.407 112 I HN 0.489 nan 8.210 nan 0.000 0.509 113 P HA 0.016 nan 4.420 nan 0.000 0.263 113 P C 0.088 177.340 177.300 -0.080 0.000 1.195 113 P CA -0.145 62.882 63.100 -0.121 0.000 0.762 113 P CB 0.243 31.865 31.700 -0.130 0.000 0.799 114 S N 2.058 117.712 115.700 -0.077 0.000 2.555 114 S HA -0.090 4.380 4.470 -0.000 0.000 0.264 114 S C 1.476 176.053 174.600 -0.038 0.000 1.378 114 S CA 0.337 58.506 58.200 -0.051 0.000 0.996 114 S CB -0.413 62.761 63.200 -0.044 0.000 0.869 114 S HN 0.395 nan 8.310 nan 0.000 0.546 115 S N 0.804 116.489 115.700 -0.026 0.000 2.419 115 S HA -0.081 4.389 4.470 -0.000 0.000 0.235 115 S C 1.802 176.399 174.600 -0.006 0.000 1.019 115 S CA 1.476 59.670 58.200 -0.010 0.000 0.982 115 S CB -0.850 62.346 63.200 -0.007 0.000 0.789 115 S HN 0.996 nan 8.310 nan 0.000 0.490 116 T N -0.945 113.598 114.554 -0.018 0.000 3.163 116 T HA 0.418 4.768 4.350 -0.000 0.000 0.252 116 T C 0.595 175.273 174.700 -0.037 0.000 1.056 116 T CA -0.261 61.826 62.100 -0.021 0.000 0.947 116 T CB -0.332 68.524 68.868 -0.020 0.000 1.016 116 T HN 0.161 nan 8.240 nan 0.000 0.554 117 L N -0.195 121.001 121.223 -0.044 0.000 3.717 117 L HA -0.171 4.169 4.340 -0.000 0.000 0.411 117 L C 0.011 176.820 176.870 -0.101 0.000 1.233 117 L CA 0.870 55.667 54.840 -0.072 0.000 0.917 117 L CB -1.466 40.551 42.059 -0.069 0.000 1.902 117 L HN 0.415 nan 8.230 nan 0.000 0.894 118 K N -1.072 119.271 120.400 -0.095 0.000 2.395 118 K HA 0.928 5.248 4.320 -0.000 0.000 0.247 118 K C -0.799 175.721 176.600 -0.133 0.000 0.973 118 K CA -0.939 55.283 56.287 -0.108 0.000 0.828 118 K CB 3.355 35.813 32.500 -0.071 0.000 1.272 118 K HN -0.144 nan 8.250 nan 0.000 0.439 119 V N 1.480 121.296 119.914 -0.163 0.000 3.216 119 V HA 0.347 4.466 4.120 -0.000 0.000 0.302 119 V C -2.627 173.317 176.094 -0.251 0.000 1.286 119 V CA -2.190 59.975 62.300 -0.226 0.000 1.048 119 V CB 2.636 34.279 31.823 -0.300 0.000 1.081 119 V HN 0.628 nan 8.190 nan 0.000 0.442 120 P HA 0.110 nan 4.420 nan 0.000 0.266 120 P C 0.031 177.075 177.300 -0.427 0.000 1.195 120 P CA 0.095 62.911 63.100 -0.473 0.000 0.768 120 P CB 0.407 31.445 31.700 -1.102 0.000 0.838 121 K N 3.438 123.728 120.400 -0.184 0.000 2.148 121 K HA -0.142 4.178 4.320 -0.000 0.000 0.204 121 K C 1.552 178.042 176.600 -0.184 0.000 1.050 121 K CA 1.401 57.621 56.287 -0.112 0.000 0.942 121 K CB -0.708 31.753 32.500 -0.065 0.000 0.724 121 K HN 0.403 nan 8.250 nan 0.000 0.446 122 F N -0.006 119.824 119.950 -0.200 0.000 2.502 122 F HA 0.121 4.648 4.527 -0.000 0.000 0.298 122 F C 1.392 177.105 175.800 -0.146 0.000 1.111 122 F CA 0.278 58.156 58.000 -0.203 0.000 1.445 122 F CB -0.287 38.672 39.000 -0.070 0.000 1.081 122 F HN -0.101 nan 8.300 nan 0.000 0.558 123 L N -0.463 120.360 121.223 -0.666 0.000 2.162 123 L HA -0.085 4.255 4.340 -0.000 0.000 0.205 123 L C 2.698 179.478 176.870 -0.151 0.000 1.086 123 L CA 1.202 55.712 54.840 -0.550 0.000 0.778 123 L CB -0.705 40.837 42.059 -0.862 0.000 0.928 123 L HN 0.264 nan 8.230 nan 0.000 0.446 124 H N -0.062 118.884 119.070 -0.207 0.000 2.266 124 H HA -0.163 4.393 4.556 -0.000 0.000 0.308 124 H C 2.116 177.508 175.328 0.106 0.000 1.057 124 H CA 1.909 57.968 56.048 0.019 0.000 1.330 124 H CB -0.107 29.643 29.762 -0.020 0.000 1.400 124 H HN 0.048 nan 8.280 nan 0.000 0.503 125 Q N 0.438 120.142 119.800 -0.160 0.000 2.135 125 Q HA -0.040 4.300 4.340 -0.000 0.000 0.204 125 Q C 2.493 178.441 176.000 -0.086 0.000 0.981 125 Q CA 1.923 57.591 55.803 -0.224 0.000 0.856 125 Q CB -1.079 27.542 28.738 -0.194 0.000 0.902 125 Q HN 0.627 nan 8.270 nan 0.000 0.425 126 G N -0.684 108.103 108.800 -0.022 0.000 2.476 126 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.218 126 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.218 126 G C 1.346 176.271 174.900 0.042 0.000 1.164 126 G CA 1.070 46.178 45.100 0.014 0.000 0.768 126 G HN 0.535 nan 8.290 nan 0.000 0.560 127 Y N 0.767 121.068 120.300 0.001 0.000 2.163 127 Y HA 0.059 4.609 4.550 -0.000 0.000 0.288 127 Y C 2.623 178.538 175.900 0.025 0.000 1.136 127 Y CA 1.271 59.409 58.100 0.062 0.000 1.147 127 Y CB -0.269 38.337 38.460 0.243 0.000 0.987 127 Y HN 0.111 nan 8.280 nan 0.000 0.509 128 L N 0.327 121.610 121.223 0.099 0.000 2.012 128 L HA -0.316 4.023 4.340 -0.000 0.000 0.210 128 L C 2.006 178.820 176.870 -0.093 0.000 1.073 128 L CA 2.168 56.988 54.840 -0.033 0.000 0.748 128 L CB -0.603 41.368 42.059 -0.147 0.000 0.891 128 L HN 0.415 nan 8.230 nan 0.000 0.431 129 N N -0.231 118.410 118.700 -0.099 0.000 2.188 129 N HA -0.171 4.569 4.740 -0.000 0.000 0.184 129 N C 1.812 177.249 175.510 -0.123 0.000 1.018 129 N CA 1.027 54.017 53.050 -0.101 0.000 0.858 129 N CB -0.057 38.390 38.487 -0.068 0.000 0.989 129 N HN 0.297 nan 8.380 nan 0.000 0.426 130 I N -0.222 120.245 120.570 -0.172 0.000 2.614 130 I HA -0.235 3.935 4.170 -0.000 0.000 0.258 130 I C 1.955 177.995 176.117 -0.128 0.000 1.189 130 I CA 0.842 61.992 61.300 -0.249 0.000 1.462 130 I CB -0.101 37.611 38.000 -0.480 0.000 1.092 130 I HN 0.217 nan 8.210 nan 0.000 0.442 131 Y N 1.418 121.549 120.300 -0.283 0.000 2.262 131 Y HA -0.055 4.494 4.550 -0.000 0.000 0.295 131 Y C 2.028 177.860 175.900 -0.114 0.000 1.121 131 Y CA 1.467 59.466 58.100 -0.167 0.000 1.144 131 Y CB -0.251 38.016 38.460 -0.322 0.000 1.043 131 Y HN 0.081 nan 8.280 nan 0.000 0.528 132 N N 0.148 118.843 118.700 -0.007 0.000 2.585 132 N HA -0.137 4.603 4.740 -0.000 0.000 0.188 132 N C 0.844 176.201 175.510 -0.255 0.000 1.102 132 N CA 0.942 53.930 53.050 -0.103 0.000 0.920 132 N CB -0.140 38.297 38.487 -0.085 0.000 0.963 132 N HN 0.521 nan 8.380 nan 0.000 0.447 133 N N -1.487 117.014 118.700 -0.332 0.000 2.273 133 N HA 0.081 4.821 4.740 -0.000 0.000 0.192 133 N C -0.129 174.857 175.510 -0.873 0.000 1.132 133 N CA 0.268 52.979 53.050 -0.565 0.000 0.887 133 N CB 0.629 38.736 38.487 -0.632 0.000 1.048 133 N HN 0.187 nan 8.380 nan 0.000 0.490 134 Y N -2.227 117.801 120.300 -0.454 0.000 2.729 134 Y HA 0.286 4.835 4.550 -0.000 0.000 0.266 134 Y C 0.262 175.480 175.900 -1.136 0.000 1.064 134 Y CA -0.364 57.309 58.100 -0.710 0.000 1.251 134 Y CB 0.460 38.406 38.460 -0.857 0.000 1.379 134 Y HN -0.060 nan 8.280 nan 0.000 0.569 135 F N -0.029 119.598 119.950 -0.538 0.000 2.577 135 F HA 0.201 4.728 4.527 -0.000 0.000 0.282 135 F C 0.769 176.076 175.800 -0.821 0.000 0.957 135 F CA -0.652 56.944 58.000 -0.674 0.000 1.168 135 F CB 0.027 38.544 39.000 -0.804 0.000 0.958 135 F HN -0.372 nan 8.300 nan 0.000 0.702 136 K N 3.809 123.579 120.400 -1.051 0.000 2.524 136 K HA 0.123 4.443 4.320 -0.000 0.000 0.279 136 K C -2.723 173.609 176.600 -0.448 0.000 0.993 136 K CA -1.229 54.678 56.287 -0.633 0.000 1.030 136 K CB -0.403 31.881 32.500 -0.360 0.000 0.891 136 K HN -0.094 nan 8.250 nan 0.000 0.488 137 P HA -0.015 nan 4.420 nan 0.000 0.265 137 P C -2.181 174.678 177.300 -0.735 0.000 1.187 137 P CA -1.413 61.266 63.100 -0.702 0.000 0.766 137 P CB 0.195 31.235 31.700 -1.101 0.000 0.820 138 P HA -0.040 nan 4.420 nan 0.000 0.237 138 P C 0.583 177.763 177.300 -0.199 0.000 1.178 138 P CA 1.193 64.095 63.100 -0.330 0.000 0.766 138 P CB -0.234 31.375 31.700 -0.153 0.000 0.876 139 W N -2.496 118.787 121.300 -0.028 0.000 2.998 139 W HA 0.419 5.079 4.660 -0.000 0.000 0.336 139 W C 0.200 176.708 176.519 -0.018 0.000 1.112 139 W CA -0.346 56.985 57.345 -0.023 0.000 1.682 139 W CB -0.873 28.580 29.460 -0.012 0.000 1.065 139 W HN -0.184 nan 8.180 nan 0.000 0.570 140 S N 1.626 117.208 115.700 -0.198 0.000 2.614 140 S HA 0.164 4.634 4.470 -0.000 0.000 0.265 140 S C -0.229 174.333 174.600 -0.062 0.000 1.303 140 S CA -0.085 58.027 58.200 -0.148 0.000 1.000 140 S CB 0.926 63.860 63.200 -0.444 0.000 0.935 140 S HN -0.087 nan 8.310 nan 0.000 0.551 141 D N 2.028 122.418 120.400 -0.018 0.000 2.255 141 D HA 0.308 4.948 4.640 -0.000 0.000 0.249 141 D C -0.462 175.795 176.300 -0.071 0.000 1.078 141 D CA -0.189 53.792 54.000 -0.033 0.000 0.896 141 D CB 0.670 41.462 40.800 -0.013 0.000 1.194 141 D HN 0.437 nan 8.370 nan 0.000 0.429 142 D N 0.704 121.049 120.400 -0.091 0.000 2.399 142 D HA 0.062 4.702 4.640 -0.000 0.000 0.241 142 D C -0.026 176.154 176.300 -0.200 0.000 1.133 142 D CA -0.132 53.797 54.000 -0.119 0.000 0.890 142 D CB 0.689 41.416 40.800 -0.120 0.000 1.201 142 D HN 0.107 nan 8.370 nan 0.000 0.432 143 L N 2.036 123.109 121.223 -0.250 0.000 2.385 143 L HA 0.085 4.425 4.340 -0.000 0.000 0.285 143 L C 1.539 178.110 176.870 -0.500 0.000 1.125 143 L CA 0.453 54.955 54.840 -0.564 0.000 0.890 143 L CB 0.184 41.945 42.059 -0.496 0.000 1.251 143 L HN 0.272 nan 8.230 nan 0.000 0.445 144 T N 2.769 117.031 114.554 -0.486 0.000 3.287 144 T HA 0.171 4.521 4.350 -0.000 0.000 0.253 144 T C 0.113 174.736 174.700 -0.127 0.000 0.975 144 T CA -0.278 61.676 62.100 -0.243 0.000 0.912 144 T CB -0.665 68.111 68.868 -0.153 0.000 1.071 144 T HN 0.101 nan 8.240 nan 0.000 0.578 145 Y N 0.702 120.997 120.300 -0.008 0.000 2.610 145 Y HA 0.324 4.874 4.550 -0.000 0.000 0.332 145 Y C 1.370 177.330 175.900 0.099 0.000 1.201 145 Y CA -1.005 57.131 58.100 0.060 0.000 1.465 145 Y CB 0.235 38.765 38.460 0.116 0.000 1.283 145 Y HN 0.236 nan 8.280 nan 0.000 0.563 146 A N 3.039 126.040 122.820 0.301 0.000 1.878 146 A HA 0.046 4.365 4.320 -0.000 0.000 0.213 146 A C 0.277 178.047 177.584 0.310 0.000 1.192 146 A CA 0.918 53.079 52.037 0.206 0.000 0.619 146 A CB -0.182 18.891 19.000 0.122 0.000 0.837 146 A HN 0.784 nan 8.150 nan 0.000 0.446 147 N N -1.982 116.861 118.700 0.239 0.000 2.357 147 N HA 0.438 5.178 4.740 -0.000 0.000 0.284 147 N C -2.658 172.693 175.510 -0.265 0.000 1.236 147 N CA -1.560 51.479 53.050 -0.019 0.000 0.774 147 N CB 1.672 40.128 38.487 -0.053 0.000 1.534 147 N HN -0.217 nan 8.380 nan 0.000 0.478 148 P HA -0.104 nan 4.420 nan 0.000 0.223 148 P C 0.692 177.808 177.300 -0.307 0.000 1.144 148 P CA 1.133 63.977 63.100 -0.427 0.000 0.783 148 P CB 0.288 31.771 31.700 -0.361 0.000 0.771 149 S N -1.333 114.218 115.700 -0.249 0.000 2.607 149 S HA 0.084 4.554 4.470 -0.000 0.000 0.224 149 S C 1.317 175.850 174.600 -0.111 0.000 0.969 149 S CA 0.242 58.332 58.200 -0.185 0.000 0.927 149 S CB -1.096 62.020 63.200 -0.140 0.000 0.772 149 S HN 0.234 nan 8.310 nan 0.000 0.533 150 N N -0.410 118.213 118.700 -0.129 0.000 2.273 150 N HA 0.248 4.988 4.740 -0.000 0.000 0.192 150 N C -0.220 175.087 175.510 -0.337 0.000 1.132 150 N CA -0.003 52.975 53.050 -0.119 0.000 0.887 150 N CB 0.347 38.833 38.487 -0.001 0.000 1.048 150 N HN 0.325 nan 8.380 nan 0.000 0.490 151 M N 1.872 121.195 119.600 -0.462 0.000 2.274 151 M HA 0.322 4.802 4.480 -0.000 0.000 0.344 151 M C -2.369 173.746 176.300 -0.309 0.000 1.161 151 M CA -1.785 53.034 55.300 -0.802 0.000 1.126 151 M CB 0.680 32.847 32.600 -0.722 0.000 1.522 151 M HN -0.232 nan 8.290 nan 0.000 0.461 152 P HA -0.017 nan 4.420 nan 0.000 0.267 152 P C 0.342 177.374 177.300 -0.447 0.000 1.200 152 P CA 0.183 63.136 63.100 -0.245 0.000 0.772 152 P CB 0.541 32.135 31.700 -0.177 0.000 0.855 153 S N 1.847 117.248 115.700 -0.498 0.000 2.378 153 S HA -0.257 4.213 4.470 -0.000 0.000 0.229 153 S C 1.488 175.433 174.600 -1.092 0.000 1.052 153 S CA 1.650 59.259 58.200 -0.985 0.000 1.084 153 S CB -0.517 62.452 63.200 -0.385 0.000 0.950 153 S HN 0.510 nan 8.310 nan 0.000 0.440 154 E N -0.450 119.467 120.200 -0.472 0.000 2.371 154 E HA -0.050 4.300 4.350 -0.000 0.000 0.194 154 E C 1.310 177.811 176.600 -0.164 0.000 1.012 154 E CA 0.498 56.781 56.400 -0.195 0.000 0.860 154 E CB -0.113 29.582 29.700 -0.008 0.000 0.811 154 E HN 0.502 nan 8.360 nan 0.000 0.502 155 D N 0.123 120.363 120.400 -0.266 0.000 2.183 155 D HA -0.127 4.513 4.640 -0.000 0.000 0.203 155 D C 1.358 177.542 176.300 -0.193 0.000 0.969 155 D CA 0.860 54.749 54.000 -0.185 0.000 0.842 155 D CB 0.061 40.738 40.800 -0.205 0.000 0.957 155 D HN 0.359 nan 8.370 nan 0.000 0.484 156 Y N -1.267 118.922 120.300 -0.184 0.000 2.507 156 Y HA 0.473 5.023 4.550 -0.000 0.000 0.254 156 Y C 1.334 177.211 175.900 -0.039 0.000 1.171 156 Y CA -0.421 57.630 58.100 -0.083 0.000 1.238 156 Y CB -0.050 38.367 38.460 -0.071 0.000 1.148 156 Y HN -0.262 nan 8.280 nan 0.000 0.525 157 K N -0.659 119.668 120.400 -0.122 0.000 2.262 157 K HA 0.114 4.434 4.320 -0.000 0.000 0.200 157 K C 0.344 176.520 176.600 -0.706 0.000 1.058 157 K CA 1.161 57.195 56.287 -0.421 0.000 0.974 157 K CB 0.061 32.157 32.500 -0.674 0.000 0.910 157 K HN 0.452 nan 8.250 nan 0.000 0.484 158 W N 0.345 121.642 121.300 -0.006 0.000 2.592 158 W HA 0.257 4.917 4.660 -0.000 0.000 0.306 158 W C 0.299 176.847 176.519 0.049 0.000 0.991 158 W CA 0.043 57.384 57.345 -0.006 0.000 1.430 158 W CB 1.188 30.613 29.460 -0.058 0.000 1.017 158 W HN 0.150 nan 8.180 nan 0.000 0.557 159 G N 1.009 109.927 108.800 0.196 0.000 2.619 159 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.686 159 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.686 159 G C -0.856 174.098 174.900 0.090 0.000 1.256 159 G CA -0.770 44.421 45.100 0.153 0.000 0.826 159 G HN 0.297 nan 8.290 nan 0.000 0.619 160 V N 1.021 120.955 119.914 0.034 0.000 2.963 160 V HA 0.548 4.668 4.120 -0.000 0.000 0.306 160 V C 1.176 177.266 176.094 -0.007 0.000 1.077 160 V CA 0.149 62.389 62.300 -0.100 0.000 1.124 160 V CB 0.425 31.991 31.823 -0.429 0.000 0.987 160 V HN 0.851 nan 8.190 nan 0.000 0.487 161 R N 4.434 124.946 120.500 0.020 0.000 2.401 161 R HA 0.412 4.752 4.340 -0.000 0.000 0.299 161 R C -0.219 176.223 176.300 0.236 0.000 1.064 161 R CA -0.269 55.903 56.100 0.119 0.000 1.000 161 R CB 1.120 31.488 30.300 0.113 0.000 0.973 161 R HN 0.673 nan 8.270 nan 0.000 0.438 162 V N 2.184 122.226 119.914 0.213 0.000 3.134 162 V HA 0.576 4.696 4.120 -0.000 0.000 0.313 162 V C 0.028 176.232 176.094 0.182 0.000 1.069 162 V CA -0.528 61.908 62.300 0.227 0.000 1.048 162 V CB 1.635 33.544 31.823 0.144 0.000 1.119 162 V HN 0.924 nan 8.190 nan 0.000 0.461 163 A N 3.360 126.270 122.820 0.150 0.000 2.354 163 A HA 0.405 4.725 4.320 -0.000 0.000 0.269 163 A C 0.263 177.914 177.584 0.112 0.000 1.109 163 A CA -0.384 51.717 52.037 0.106 0.000 0.800 163 A CB -0.249 18.775 19.000 0.040 0.000 1.045 163 A HN 0.965 nan 8.150 nan 0.000 0.489 164 N N 0.298 119.070 118.700 0.119 0.000 2.381 164 N HA 0.151 4.891 4.740 -0.000 0.000 0.241 164 N C -0.482 175.059 175.510 0.052 0.000 1.279 164 N CA -0.123 53.002 53.050 0.124 0.000 0.896 164 N CB 0.254 38.819 38.487 0.130 0.000 1.118 164 N HN 0.566 nan 8.380 nan 0.000 0.438 165 L N 2.323 123.578 121.223 0.053 0.000 2.410 165 L HA 0.091 4.431 4.340 -0.000 0.000 0.273 165 L C 0.619 177.471 176.870 -0.030 0.000 1.144 165 L CA -0.058 54.799 54.840 0.028 0.000 0.863 165 L CB 0.245 42.342 42.059 0.064 0.000 1.140 165 L HN 0.420 nan 8.230 nan 0.000 0.463 166 K N 2.360 122.743 120.400 -0.029 0.000 2.438 166 K HA -0.074 4.246 4.320 -0.000 0.000 0.270 166 K C 0.264 176.804 176.600 -0.099 0.000 1.095 166 K CA 0.307 56.556 56.287 -0.062 0.000 1.174 166 K CB 0.242 32.732 32.500 -0.016 0.000 0.830 166 K HN 0.668 nan 8.250 nan 0.000 0.487 167 S N 2.714 118.283 115.700 -0.217 0.000 2.874 167 S HA 0.362 4.832 4.470 -0.000 0.000 0.318 167 S C 0.826 175.293 174.600 -0.223 0.000 1.109 167 S CA -0.916 57.123 58.200 -0.267 0.000 0.878 167 S CB 0.806 63.638 63.200 -0.613 0.000 1.307 167 S HN 0.586 nan 8.310 nan 0.000 0.592 168 I N 0.820 121.283 120.570 -0.179 0.000 2.339 168 I HA 0.126 4.296 4.170 -0.000 0.000 0.245 168 I C 1.894 177.927 176.117 -0.140 0.000 1.096 168 I CA 0.922 62.178 61.300 -0.073 0.000 1.408 168 I CB -0.172 37.870 38.000 0.069 0.000 1.092 168 I HN 0.841 nan 8.210 nan 0.000 0.423 169 W N -0.967 120.182 121.300 -0.251 0.000 3.003 169 W HA 0.150 4.810 4.660 -0.000 0.000 0.257 169 W C 1.379 177.692 176.519 -0.344 0.000 1.308 169 W CA 0.435 57.495 57.345 -0.474 0.000 1.529 169 W CB -1.283 27.916 29.460 -0.434 0.000 1.115 169 W HN 0.025 nan 8.180 nan 0.000 0.659 170 T N 1.168 115.345 114.554 -0.628 0.000 3.122 170 T HA 0.408 4.757 4.350 -0.000 0.000 0.250 170 T C 0.639 175.219 174.700 -0.199 0.000 1.067 170 T CA 0.732 62.509 62.100 -0.538 0.000 0.966 170 T CB -0.274 68.083 68.868 -0.852 0.000 1.002 170 T HN 0.182 nan 8.240 nan 0.000 0.542 171 A N 2.161 124.902 122.820 -0.131 0.000 3.292 171 A HA 0.529 4.849 4.320 -0.000 0.000 0.231 171 A C -2.752 174.852 177.584 0.034 0.000 0.952 171 A CA -0.956 51.080 52.037 -0.002 0.000 1.044 171 A CB 0.336 19.326 19.000 -0.016 0.000 1.236 171 A HN 0.221 nan 8.150 nan 0.000 0.525 172 P HA 0.244 nan 4.420 nan 0.000 0.271 172 P C 0.322 177.656 177.300 0.056 0.000 1.233 172 P CA -0.126 63.024 63.100 0.084 0.000 0.789 172 P CB 0.599 32.349 31.700 0.085 0.000 0.951 173 L N 1.820 123.074 121.223 0.051 0.000 2.473 173 L HA 0.143 4.483 4.340 -0.000 0.000 0.268 173 L C -1.771 175.058 176.870 -0.069 0.000 1.215 173 L CA -1.653 53.204 54.840 0.028 0.000 0.823 173 L CB -0.367 41.718 42.059 0.044 0.000 1.099 173 L HN 0.280 nan 8.230 nan 0.000 0.483 174 P HA 0.010 nan 4.420 nan 0.000 0.264 174 P C -2.167 174.965 177.300 -0.280 0.000 1.193 174 P CA -1.103 61.838 63.100 -0.265 0.000 0.763 174 P CB -0.023 31.655 31.700 -0.038 0.000 0.810 175 P HA -0.145 nan 4.420 nan 0.000 0.219 175 P C 0.432 177.635 177.300 -0.163 0.000 1.146 175 P CA 1.461 64.381 63.100 -0.301 0.000 0.808 175 P CB 0.055 31.513 31.700 -0.403 0.000 0.779 176 D N -1.671 118.642 120.400 -0.145 0.000 2.328 176 D HA 0.011 4.651 4.640 -0.000 0.000 0.226 176 D C 0.090 176.338 176.300 -0.087 0.000 1.066 176 D CA 0.420 54.368 54.000 -0.087 0.000 0.861 176 D CB -0.794 39.969 40.800 -0.060 0.000 0.912 176 D HN 0.058 nan 8.370 nan 0.000 0.521 177 T N 1.672 116.175 114.554 -0.085 0.000 2.829 177 T HA 0.087 4.437 4.350 -0.000 0.000 0.293 177 T C 0.690 175.366 174.700 -0.039 0.000 0.970 177 T CA -0.206 61.855 62.100 -0.065 0.000 1.168 177 T CB 0.459 69.348 68.868 0.036 0.000 0.911 177 T HN 0.022 nan 8.240 nan 0.000 0.535 178 R N 2.138 122.603 120.500 -0.059 0.000 2.489 178 R HA 0.132 4.471 4.340 -0.000 0.000 0.287 178 R C 1.350 177.654 176.300 0.007 0.000 1.053 178 R CA -0.161 55.920 56.100 -0.032 0.000 1.036 178 R CB 0.269 30.541 30.300 -0.047 0.000 0.966 178 R HN 0.553 nan 8.270 nan 0.000 0.432 179 T N 0.067 114.627 114.554 0.009 0.000 3.054 179 T HA 0.069 4.419 4.350 -0.000 0.000 0.255 179 T C -0.120 174.596 174.700 0.026 0.000 1.035 179 T CA 0.377 62.492 62.100 0.026 0.000 0.941 179 T CB 0.159 69.039 68.868 0.019 0.000 1.026 179 T HN 0.728 nan 8.240 nan 0.000 0.533 180 S N -0.113 115.596 115.700 0.014 0.000 2.595 180 S HA 0.663 5.133 4.470 -0.000 0.000 0.270 180 S C -1.872 172.723 174.600 -0.007 0.000 1.145 180 S CA -0.913 57.293 58.200 0.010 0.000 0.825 180 S CB 2.149 65.353 63.200 0.007 0.000 1.107 180 S HN 0.120 nan 8.310 nan 0.000 0.461 181 E N 0.392 120.582 120.200 -0.017 0.000 2.313 181 E HA 0.402 4.752 4.350 -0.000 0.000 0.280 181 E C -1.537 175.030 176.600 -0.056 0.000 0.898 181 E CA -0.265 56.111 56.400 -0.039 0.000 0.803 181 E CB 1.278 30.947 29.700 -0.051 0.000 1.286 181 E HN 0.737 nan 8.360 nan 0.000 0.401 182 N N 3.981 122.653 118.700 -0.048 0.000 2.498 182 N HA 0.419 5.159 4.740 -0.000 0.000 0.287 182 N C -0.525 174.947 175.510 -0.062 0.000 1.097 182 N CA -0.623 52.398 53.050 -0.049 0.000 0.973 182 N CB 1.415 39.882 38.487 -0.032 0.000 1.153 182 N HN 0.362 nan 8.380 nan 0.000 0.472 183 M N 1.734 121.294 119.600 -0.068 0.000 2.085 183 M HA 0.151 4.631 4.480 -0.000 0.000 0.309 183 M C -0.313 175.961 176.300 -0.043 0.000 0.947 183 M CA -0.602 54.657 55.300 -0.067 0.000 0.918 183 M CB 1.341 33.883 32.600 -0.096 0.000 1.504 183 M HN 0.469 nan 8.290 nan 0.000 0.420 184 T N 3.584 118.119 114.554 -0.032 0.000 2.761 184 T HA 0.122 4.472 4.350 -0.000 0.000 0.287 184 T C -0.041 174.647 174.700 -0.019 0.000 0.931 184 T CA 0.336 62.423 62.100 -0.022 0.000 1.164 184 T CB 0.075 68.933 68.868 -0.017 0.000 0.876 184 T HN 0.846 nan 8.240 nan 0.000 0.534 185 T N 3.308 117.852 114.554 -0.016 0.000 2.936 185 T HA 0.684 5.033 4.350 -0.000 0.000 0.282 185 T C 0.835 175.531 174.700 -0.007 0.000 1.003 185 T CA -0.097 61.996 62.100 -0.011 0.000 1.005 185 T CB 0.748 69.611 68.868 -0.009 0.000 1.097 185 T HN 0.908 nan 8.240 nan 0.000 0.532 186 G N 0.631 109.429 108.800 -0.004 0.000 2.616 186 G HA2 0.292 4.252 3.960 -0.000 0.000 0.268 186 G HA3 0.292 4.252 3.960 -0.000 0.000 0.268 186 G C 1.064 175.963 174.900 -0.001 0.000 1.213 186 G CA -0.155 44.944 45.100 -0.002 0.000 0.926 186 G HN 0.732 nan 8.290 nan 0.000 0.523 187 T N -0.860 113.694 114.554 -0.000 0.000 2.812 187 T HA -0.035 4.315 4.350 -0.000 0.000 0.264 187 T C 1.877 176.578 174.700 0.001 0.000 1.042 187 T CA 1.851 63.951 62.100 0.000 0.000 1.140 187 T CB -0.082 68.786 68.868 0.000 0.000 0.870 187 T HN 0.374 nan 8.240 nan 0.000 0.445 188 S N 0.418 116.119 115.700 0.002 0.000 2.902 188 S HA 0.417 4.886 4.470 -0.000 0.000 0.250 188 S C -0.347 174.256 174.600 0.004 0.000 1.046 188 S CA -0.401 57.801 58.200 0.003 0.000 1.069 188 S CB 0.211 63.412 63.200 0.003 0.000 0.967 188 S HN 0.391 nan 8.310 nan 0.000 0.530 189 T N 0.822 115.378 114.554 0.004 0.000 2.977 189 T HA 0.535 4.885 4.350 -0.000 0.000 0.345 189 T C -2.069 172.634 174.700 0.005 0.000 1.562 189 T CA -0.432 61.671 62.100 0.005 0.000 1.090 189 T CB 1.162 70.034 68.868 0.005 0.000 1.383 189 T HN 0.245 nan 8.240 nan 0.000 0.484 190 I N 2.679 123.254 120.570 0.007 0.000 2.646 190 I HA 0.656 4.826 4.170 -0.000 0.000 0.299 190 I C -1.106 175.017 176.117 0.010 0.000 1.036 190 I CA -0.528 60.777 61.300 0.007 0.000 1.074 190 I CB 1.980 39.986 38.000 0.010 0.000 1.258 190 I HN 0.589 nan 8.210 nan 0.000 0.430 191 D N 6.897 127.302 120.400 0.009 0.000 2.411 191 D HA 0.165 4.805 4.640 -0.000 0.000 0.225 191 D C 1.136 177.448 176.300 0.020 0.000 1.156 191 D CA -0.190 53.818 54.000 0.012 0.000 0.874 191 D CB 0.722 41.527 40.800 0.008 0.000 1.034 191 D HN 0.428 nan 8.370 nan 0.000 0.502 192 I N 3.747 124.331 120.570 0.025 0.000 2.315 192 I HA -0.262 3.908 4.170 -0.000 0.000 0.251 192 I C 2.035 178.177 176.117 0.041 0.000 1.125 192 I CA 1.282 62.603 61.300 0.035 0.000 1.392 192 I CB -0.474 37.543 38.000 0.029 0.000 1.065 192 I HN 0.604 nan 8.210 nan 0.000 0.424 193 M N -1.044 118.575 119.600 0.031 0.000 2.334 193 M HA 0.026 4.506 4.480 -0.000 0.000 0.266 193 M C 2.214 178.534 176.300 0.033 0.000 1.082 193 M CA 1.232 56.551 55.300 0.032 0.000 1.141 193 M CB -0.614 32.000 32.600 0.023 0.000 1.380 193 M HN 0.245 nan 8.290 nan 0.000 0.440 194 G N 0.757 109.572 108.800 0.024 0.000 2.408 194 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.217 194 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.217 194 G C 1.397 176.304 174.900 0.012 0.000 1.150 194 G CA 0.411 45.520 45.100 0.014 0.000 0.776 194 G HN 0.276 nan 8.290 nan 0.000 0.542 195 L N 0.485 121.721 121.223 0.021 0.000 2.012 195 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 195 L C 2.772 179.700 176.870 0.098 0.000 1.073 195 L CA 2.348 57.200 54.840 0.019 0.000 0.748 195 L CB -0.858 41.242 42.059 0.068 0.000 0.891 195 L HN 0.223 nan 8.230 nan 0.000 0.431 196 Q N -0.249 119.637 119.800 0.143 0.000 2.077 196 Q HA -0.201 4.139 4.340 -0.000 0.000 0.206 196 Q C 2.217 178.308 176.000 0.152 0.000 0.989 196 Q CA 2.460 58.370 55.803 0.179 0.000 0.853 196 Q CB -0.730 28.064 28.738 0.094 0.000 0.907 196 Q HN 0.642 nan 8.270 nan 0.000 0.418 197 A N -0.013 122.857 122.820 0.083 0.000 1.902 197 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 197 A C 2.275 179.888 177.584 0.049 0.000 1.181 197 A CA 2.060 54.131 52.037 0.057 0.000 0.623 197 A CB -1.158 17.862 19.000 0.033 0.000 0.818 197 A HN 0.484 nan 8.150 nan 0.000 0.443 198 A N -1.231 121.592 122.820 0.005 0.000 1.892 198 A HA -0.166 4.153 4.320 -0.000 0.000 0.218 198 A C 2.098 179.647 177.584 -0.059 0.000 1.188 198 A CA 1.836 53.827 52.037 -0.077 0.000 0.631 198 A CB -0.876 18.016 19.000 -0.180 0.000 0.822 198 A HN 0.586 nan 8.150 nan 0.000 0.447 199 Y N -0.258 120.061 120.300 0.031 0.000 2.200 199 Y HA -0.050 4.500 4.550 -0.000 0.000 0.290 199 Y C 2.933 178.869 175.900 0.059 0.000 1.137 199 Y CA 0.738 58.864 58.100 0.045 0.000 1.163 199 Y CB -0.680 37.801 38.460 0.036 0.000 0.988 199 Y HN 0.335 nan 8.280 nan 0.000 0.518 200 A N 0.380 123.313 122.820 0.187 0.000 1.877 200 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 200 A C 2.194 179.856 177.584 0.129 0.000 1.186 200 A CA 1.957 54.065 52.037 0.118 0.000 0.620 200 A CB -0.503 18.534 19.000 0.062 0.000 0.822 200 A HN 0.441 nan 8.150 nan 0.000 0.443 201 K N -0.675 119.779 120.400 0.091 0.000 2.026 201 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 201 K C 1.911 178.556 176.600 0.076 0.000 1.048 201 K CA 1.384 57.714 56.287 0.071 0.000 0.929 201 K CB -0.529 31.992 32.500 0.035 0.000 0.713 201 K HN 0.375 nan 8.250 nan 0.000 0.439 202 L N 1.471 122.738 121.223 0.073 0.000 2.079 202 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 202 L C 2.414 179.332 176.870 0.080 0.000 1.081 202 L CA 1.827 56.700 54.840 0.055 0.000 0.752 202 L CB -0.700 41.394 42.059 0.059 0.000 0.896 202 L HN 0.316 nan 8.230 nan 0.000 0.433 203 H N -0.596 118.513 119.070 0.065 0.000 2.290 203 H HA -0.190 4.366 4.556 -0.000 0.000 0.298 203 H C 2.123 177.479 175.328 0.046 0.000 1.087 203 H CA 2.522 58.614 56.048 0.073 0.000 1.291 203 H CB -0.134 29.675 29.762 0.079 0.000 1.369 203 H HN 0.598 nan 8.280 nan 0.000 0.492 204 T N -1.407 113.245 114.554 0.163 0.000 2.833 204 T HA -0.125 4.225 4.350 -0.000 0.000 0.269 204 T C 1.828 176.526 174.700 -0.004 0.000 1.054 204 T CA 1.631 63.788 62.100 0.095 0.000 1.135 204 T CB -0.219 68.715 68.868 0.110 0.000 0.869 204 T HN 0.448 nan 8.240 nan 0.000 0.466 205 E N 0.746 120.927 120.200 -0.031 0.000 2.046 205 E HA -0.093 4.256 4.350 -0.000 0.000 0.190 205 E C 2.712 179.186 176.600 -0.209 0.000 0.982 205 E CA 1.020 57.366 56.400 -0.090 0.000 0.800 205 E CB -0.134 29.522 29.700 -0.074 0.000 0.756 205 E HN 0.638 nan 8.360 nan 0.000 0.449 206 Q N 0.587 120.234 119.800 -0.254 0.000 2.096 206 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 206 Q C 2.057 177.712 176.000 -0.574 0.000 0.982 206 Q CA 1.303 56.812 55.803 -0.489 0.000 0.850 206 Q CB -0.063 28.512 28.738 -0.272 0.000 0.901 206 Q HN 0.318 nan 8.270 nan 0.000 0.422 207 E N 0.207 120.233 120.200 -0.290 0.000 2.051 207 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 207 E C 2.097 178.612 176.600 -0.141 0.000 0.991 207 E CA 0.724 57.061 56.400 -0.104 0.000 0.799 207 E CB 0.084 29.835 29.700 0.086 0.000 0.748 207 E HN 0.251 nan 8.360 nan 0.000 0.449 208 R N 0.817 121.245 120.500 -0.120 0.000 2.081 208 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 208 R C 1.809 178.018 176.300 -0.152 0.000 1.131 208 R CA 1.258 57.313 56.100 -0.075 0.000 0.960 208 R CB -0.304 29.968 30.300 -0.048 0.000 0.856 208 R HN 0.267 nan 8.270 nan 0.000 0.436 209 D N -0.028 120.188 120.400 -0.307 0.000 2.097 209 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 209 D C 1.878 177.992 176.300 -0.309 0.000 0.984 209 D CA 1.473 55.261 54.000 -0.352 0.000 0.826 209 D CB -0.116 40.336 40.800 -0.580 0.000 0.973 209 D HN 0.224 nan 8.370 nan 0.000 0.460 210 Y N -0.742 119.291 120.300 -0.446 0.000 2.269 210 Y HA 0.008 4.558 4.550 -0.000 0.000 0.294 210 Y C 1.952 177.540 175.900 -0.519 0.000 1.120 210 Y CA 0.533 58.251 58.100 -0.637 0.000 1.159 210 Y CB -0.435 37.250 38.460 -1.292 0.000 1.024 210 Y HN -0.029 nan 8.280 nan 0.000 0.532 211 F N -2.743 117.301 119.950 0.157 0.000 2.640 211 F HA 0.282 4.809 4.527 -0.000 0.000 0.285 211 F C 0.701 176.526 175.800 0.042 0.000 1.031 211 F CA -0.267 57.785 58.000 0.086 0.000 1.240 211 F CB -0.416 38.622 39.000 0.064 0.000 1.011 211 F HN -0.290 nan 8.300 nan 0.000 0.656 212 M N 0.988 120.704 119.600 0.195 0.000 3.307 212 M HA 0.256 4.736 4.480 -0.000 0.000 0.222 212 M C 0.945 177.280 176.300 0.058 0.000 1.243 212 M CA -0.058 55.313 55.300 0.119 0.000 1.270 212 M CB 0.702 33.376 32.600 0.122 0.000 1.187 212 M HN 0.029 nan 8.290 nan 0.000 0.598 213 T N -0.256 114.323 114.554 0.042 0.000 3.113 213 T HA 0.179 4.528 4.350 -0.000 0.000 0.256 213 T C 0.588 175.298 174.700 0.017 0.000 1.131 213 T CA 0.798 62.911 62.100 0.022 0.000 1.074 213 T CB 0.142 69.023 68.868 0.021 0.000 0.944 213 T HN 0.366 nan 8.240 nan 0.000 0.516 214 R N 0.122 120.634 120.500 0.020 0.000 2.445 214 R HA 0.402 4.742 4.340 -0.000 0.000 0.308 214 R C 0.230 176.566 176.300 0.060 0.000 0.961 214 R CA -0.715 55.396 56.100 0.018 0.000 0.862 214 R CB 0.536 30.821 30.300 -0.026 0.000 1.144 214 R HN 0.179 nan 8.270 nan 0.000 0.447 215 Y N 4.597 124.880 120.300 -0.028 0.000 2.081 215 Y HA -0.352 4.198 4.550 -0.000 0.000 0.280 215 Y C 1.910 177.802 175.900 -0.012 0.000 1.163 215 Y CA 2.536 60.625 58.100 -0.018 0.000 1.135 215 Y CB 0.072 38.508 38.460 -0.041 0.000 0.970 215 Y HN 0.661 nan 8.280 nan 0.000 0.498 216 R N -0.268 120.232 120.500 0.001 0.000 2.211 216 R HA -0.171 4.169 4.340 -0.000 0.000 0.240 216 R C 1.302 177.520 176.300 -0.136 0.000 1.144 216 R CA 1.911 57.938 56.100 -0.121 0.000 0.992 216 R CB -0.556 29.733 30.300 -0.020 0.000 0.869 216 R HN 0.318 nan 8.270 nan 0.000 0.462 217 D N 1.139 121.495 120.400 -0.073 0.000 2.197 217 D HA -0.036 4.603 4.640 -0.000 0.000 0.212 217 D C 1.925 178.222 176.300 -0.005 0.000 0.963 217 D CA 1.120 55.108 54.000 -0.021 0.000 0.864 217 D CB -0.108 40.705 40.800 0.021 0.000 1.009 217 D HN 0.402 nan 8.370 nan 0.000 0.479 218 I N -0.968 119.595 120.570 -0.011 0.000 2.756 218 I HA -0.163 4.007 4.170 -0.000 0.000 0.262 218 I C 1.780 177.968 176.117 0.118 0.000 1.225 218 I CA 0.924 62.267 61.300 0.071 0.000 1.472 218 I CB 0.104 38.164 38.000 0.100 0.000 1.094 218 I HN -0.135 nan 8.210 nan 0.000 0.454 219 M N 1.549 121.078 119.600 -0.120 0.000 2.191 219 M HA -0.053 4.427 4.480 -0.000 0.000 0.262 219 M C 2.215 178.535 176.300 0.034 0.000 1.083 219 M CA 1.767 56.977 55.300 -0.149 0.000 1.154 219 M CB -0.595 31.737 32.600 -0.447 0.000 1.344 219 M HN 0.164 nan 8.290 nan 0.000 0.431 220 K N -0.224 120.166 120.400 -0.017 0.000 2.218 220 K HA -0.252 4.068 4.320 -0.000 0.000 0.205 220 K C 1.563 178.194 176.600 0.052 0.000 1.046 220 K CA 1.919 58.222 56.287 0.028 0.000 0.933 220 K CB -0.156 32.353 32.500 0.015 0.000 0.728 220 K HN 0.384 nan 8.250 nan 0.000 0.454 221 E N -0.805 119.427 120.200 0.053 0.000 2.502 221 E HA -0.057 4.292 4.350 -0.000 0.000 0.194 221 E C 0.727 177.284 176.600 -0.071 0.000 1.062 221 E CA 0.376 56.768 56.400 -0.012 0.000 0.867 221 E CB -0.031 29.651 29.700 -0.031 0.000 0.888 221 E HN 0.321 nan 8.360 nan 0.000 0.510 222 F N -0.597 119.340 119.950 -0.023 0.000 2.746 222 F HA 0.322 4.849 4.527 -0.000 0.000 0.297 222 F C 1.671 177.467 175.800 -0.006 0.000 1.113 222 F CA 0.797 58.788 58.000 -0.014 0.000 1.367 222 F CB 1.111 40.093 39.000 -0.031 0.000 1.111 222 F HN 0.195 nan 8.300 nan 0.000 0.590 223 G N 0.244 109.131 108.800 0.145 0.000 2.141 223 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.231 223 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.231 223 G C 0.525 175.486 174.900 0.103 0.000 0.984 223 G CA -0.176 44.980 45.100 0.094 0.000 0.660 223 G HN 0.722 nan 8.290 nan 0.000 0.525 224 G N -1.504 107.365 108.800 0.115 0.000 2.753 224 G HA2 0.689 4.648 3.960 -0.000 0.000 0.285 224 G HA3 0.689 4.648 3.960 -0.000 0.000 0.285 224 G C -0.806 174.170 174.900 0.126 0.000 1.344 224 G CA -0.122 45.038 45.100 0.098 0.000 1.050 224 G HN 0.677 nan 8.290 nan 0.000 0.532 225 H N -1.488 117.591 119.070 0.016 0.000 2.961 225 H HA 0.593 5.148 4.556 -0.000 0.000 0.371 225 H C -1.549 173.796 175.328 0.028 0.000 1.190 225 H CA -0.240 55.823 56.048 0.025 0.000 1.138 225 H CB 2.508 32.295 29.762 0.042 0.000 1.816 225 H HN 0.653 nan 8.280 nan 0.000 0.551 226 T N 2.098 116.289 114.554 -0.605 0.000 2.881 226 T HA 0.330 4.680 4.350 -0.000 0.000 0.291 226 T C -0.367 174.127 174.700 -0.343 0.000 0.990 226 T CA -0.496 61.436 62.100 -0.279 0.000 0.976 226 T CB 0.457 69.255 68.868 -0.116 0.000 0.970 226 T HN 0.670 nan 8.240 nan 0.000 0.438 227 S N 4.432 120.119 115.700 -0.021 0.000 2.568 227 S HA 0.102 4.572 4.470 -0.000 0.000 0.282 227 S C 1.206 175.825 174.600 0.032 0.000 1.338 227 S CA -0.209 58.026 58.200 0.058 0.000 1.045 227 S CB -0.061 63.128 63.200 -0.019 0.000 0.873 227 S HN 0.941 nan 8.310 nan 0.000 0.516 228 Y N -0.079 120.328 120.300 0.179 0.000 2.716 228 Y HA 0.118 4.668 4.550 -0.000 0.000 0.302 228 Y C 0.975 177.006 175.900 0.219 0.000 1.160 228 Y CA 0.633 58.851 58.100 0.196 0.000 1.362 228 Y CB -0.658 37.961 38.460 0.264 0.000 0.988 228 Y HN 0.554 nan 8.280 nan 0.000 0.546 229 D N 0.148 120.451 120.400 -0.162 0.000 2.367 229 D HA 0.113 4.753 4.640 -0.000 0.000 0.207 229 D C 2.146 178.410 176.300 -0.061 0.000 1.034 229 D CA 0.901 54.844 54.000 -0.094 0.000 0.861 229 D CB 0.126 40.804 40.800 -0.204 0.000 0.943 229 D HN 0.529 nan 8.370 nan 0.000 0.515 230 G N 0.790 109.571 108.800 -0.031 0.000 2.453 230 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.215 230 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.215 230 G C 0.941 175.812 174.900 -0.049 0.000 1.147 230 G CA 0.527 45.617 45.100 -0.018 0.000 0.802 230 G HN 0.215 nan 8.290 nan 0.000 0.535 231 D N -1.183 119.204 120.400 -0.021 0.000 2.535 231 D HA 0.065 4.705 4.640 -0.000 0.000 0.229 231 D C 0.411 176.656 176.300 -0.092 0.000 1.238 231 D CA -0.938 53.034 54.000 -0.047 0.000 0.824 231 D CB -0.843 39.973 40.800 0.026 0.000 1.045 231 D HN -0.037 nan 8.370 nan 0.000 0.500 232 N N 1.550 120.148 118.700 -0.170 0.000 2.705 232 N HA -0.228 4.512 4.740 -0.000 0.000 0.255 232 N C -0.856 174.589 175.510 -0.108 0.000 1.008 232 N CA 0.747 53.533 53.050 -0.439 0.000 0.742 232 N CB -0.846 37.398 38.487 -0.405 0.000 0.906 232 N HN 0.667 nan 8.380 nan 0.000 0.541 233 R N -0.900 119.697 120.500 0.162 0.000 2.460 233 R HA 0.662 5.002 4.340 -0.000 0.000 0.303 233 R C -2.753 173.746 176.300 0.332 0.000 0.968 233 R CA -1.876 54.328 56.100 0.174 0.000 0.889 233 R CB 1.256 31.602 30.300 0.077 0.000 1.123 233 R HN -0.084 nan 8.270 nan 0.000 0.455 234 P HA -0.072 nan 4.420 nan 0.000 0.266 234 P C -0.731 176.712 177.300 0.237 0.000 1.195 234 P CA -0.324 62.863 63.100 0.144 0.000 0.768 234 P CB 0.491 32.204 31.700 0.021 0.000 0.838 235 L N 4.430 125.667 121.223 0.023 0.000 2.281 235 L HA 0.254 4.594 4.340 -0.000 0.000 0.285 235 L C -0.361 176.582 176.870 0.122 0.000 1.074 235 L CA -0.301 54.519 54.840 -0.032 0.000 0.817 235 L CB 0.076 41.837 42.059 -0.496 0.000 1.168 235 L HN 0.259 nan 8.230 nan 0.000 0.434 236 L N 6.761 128.049 121.223 0.108 0.000 2.407 236 L HA 0.118 4.457 4.340 -0.000 0.000 0.282 236 L C 0.530 177.219 176.870 -0.302 0.000 1.110 236 L CA 0.143 54.779 54.840 -0.339 0.000 0.863 236 L CB 0.780 42.648 42.059 -0.318 0.000 1.207 236 L HN 0.941 nan 8.230 nan 0.000 0.454 237 L N 5.261 126.246 121.223 -0.396 0.000 2.145 237 L HA 0.107 4.447 4.340 -0.000 0.000 0.201 237 L C 0.450 177.202 176.870 -0.197 0.000 1.075 237 L CA 0.752 55.419 54.840 -0.289 0.000 0.773 237 L CB -0.012 41.803 42.059 -0.407 0.000 0.936 237 L HN 0.590 nan 8.230 nan 0.000 0.451 238 M N -1.007 118.462 119.600 -0.219 0.000 2.520 238 M HA 0.419 4.899 4.480 -0.000 0.000 0.283 238 M C -1.526 174.733 176.300 -0.067 0.000 1.237 238 M CA -0.526 54.704 55.300 -0.117 0.000 0.885 238 M CB 2.228 34.765 32.600 -0.105 0.000 1.727 238 M HN -0.113 nan 8.290 nan 0.000 0.468 239 R N 2.170 122.653 120.500 -0.028 0.000 2.515 239 R HA 0.782 5.121 4.340 -0.000 0.000 0.291 239 R C -1.770 174.512 176.300 -0.031 0.000 1.046 239 R CA -0.142 55.903 56.100 -0.092 0.000 0.914 239 R CB 1.618 31.823 30.300 -0.158 0.000 1.191 239 R HN 0.860 nan 8.270 nan 0.000 0.435 240 S N 2.595 118.271 115.700 -0.040 0.000 2.500 240 S HA 0.383 4.853 4.470 -0.000 0.000 0.301 240 S C -1.150 173.352 174.600 -0.164 0.000 1.092 240 S CA -0.770 57.439 58.200 0.016 0.000 1.030 240 S CB 2.058 65.453 63.200 0.324 0.000 1.031 240 S HN 0.655 nan 8.310 nan 0.000 0.483 241 E N 1.928 122.082 120.200 -0.077 0.000 2.314 241 E HA 0.698 5.048 4.350 -0.000 0.000 0.272 241 E C -1.603 175.008 176.600 0.018 0.000 0.884 241 E CA -0.804 55.495 56.400 -0.168 0.000 0.753 241 E CB 1.306 30.876 29.700 -0.217 0.000 1.213 241 E HN 0.580 nan 8.360 nan 0.000 0.432 242 F N 0.242 119.973 119.950 -0.366 0.000 2.770 242 F HA 0.595 5.122 4.527 -0.000 0.000 0.313 242 F C -2.319 173.239 175.800 -0.404 0.000 1.154 242 F CA -1.304 56.535 58.000 -0.269 0.000 0.923 242 F CB 0.731 39.667 39.000 -0.107 0.000 1.301 242 F HN 0.338 nan 8.300 nan 0.000 0.449 243 W N 2.227 123.577 121.300 0.083 0.000 2.391 243 W HA 0.786 5.446 4.660 -0.000 0.000 0.311 243 W C -0.246 176.318 176.519 0.076 0.000 1.087 243 W CA -0.759 56.567 57.345 -0.031 0.000 1.209 243 W CB 1.895 31.367 29.460 0.020 0.000 1.273 243 W HN 0.820 nan 8.180 nan 0.000 0.482 244 A N 2.815 125.709 122.820 0.125 0.000 2.309 244 A HA 0.738 5.058 4.320 -0.000 0.000 0.298 244 A C -0.129 177.563 177.584 0.179 0.000 1.165 244 A CA -0.131 52.001 52.037 0.158 0.000 0.821 244 A CB 1.271 20.259 19.000 -0.020 0.000 1.102 244 A HN 0.524 nan 8.150 nan 0.000 0.500 245 S N 0.170 115.984 115.700 0.189 0.000 2.911 245 S HA 0.949 5.419 4.470 -0.000 0.000 0.319 245 S C 0.164 174.852 174.600 0.147 0.000 1.154 245 S CA 0.187 58.478 58.200 0.151 0.000 0.857 245 S CB 1.596 64.882 63.200 0.143 0.000 1.279 245 S HN 2.004 nan 8.310 nan 0.000 0.593 246 G N -0.313 108.570 108.800 0.138 0.000 2.435 246 G HA2 0.478 4.438 3.960 -0.000 0.000 0.228 246 G HA3 0.478 4.438 3.960 -0.000 0.000 0.228 246 G C -2.141 172.891 174.900 0.221 0.000 1.198 246 G CA 0.128 45.333 45.100 0.174 0.000 0.948 246 G HN 1.277 nan 8.290 nan 0.000 0.487 247 Y N -0.563 119.770 120.300 0.056 0.000 2.615 247 Y HA 0.797 5.347 4.550 -0.000 0.000 0.341 247 Y C -1.396 174.535 175.900 0.051 0.000 1.089 247 Y CA -1.572 56.554 58.100 0.044 0.000 1.049 247 Y CB 1.193 39.679 38.460 0.044 0.000 1.296 247 Y HN 0.372 nan 8.280 nan 0.000 0.470 248 D N 1.133 121.597 120.400 0.106 0.000 2.264 248 D HA 0.478 5.118 4.640 -0.000 0.000 0.249 248 D C -0.903 175.519 176.300 0.203 0.000 1.070 248 D CA -0.230 53.807 54.000 0.061 0.000 0.912 248 D CB 2.292 43.138 40.800 0.077 0.000 1.193 248 D HN 0.467 nan 8.370 nan 0.000 0.427 249 V N 2.411 122.413 119.914 0.146 0.000 2.384 249 V HA 0.157 4.277 4.120 -0.000 0.000 0.287 249 V C -0.434 175.790 176.094 0.216 0.000 1.020 249 V CA -0.874 61.544 62.300 0.197 0.000 0.850 249 V CB 1.715 33.597 31.823 0.099 0.000 0.987 249 V HN 0.353 nan 8.190 nan 0.000 0.436 250 D N 3.892 124.423 120.400 0.219 0.000 2.317 250 D HA 0.406 5.046 4.640 -0.000 0.000 0.252 250 D C 0.601 176.871 176.300 -0.050 0.000 1.174 250 D CA 0.316 54.374 54.000 0.097 0.000 0.866 250 D CB 1.644 42.543 40.800 0.165 0.000 1.127 250 D HN 0.691 nan 8.370 nan 0.000 0.467 251 G N 0.403 109.084 108.800 -0.197 0.000 2.483 251 G HA2 0.372 4.332 3.960 -0.000 0.000 0.248 251 G HA3 0.372 4.332 3.960 -0.000 0.000 0.248 251 G C 0.667 175.492 174.900 -0.126 0.000 1.248 251 G CA -0.351 44.662 45.100 -0.145 0.000 0.838 251 G HN 0.486 nan 8.290 nan 0.000 0.566 252 T N -1.816 112.696 114.554 -0.070 0.000 3.403 252 T HA 0.182 4.532 4.350 -0.000 0.000 0.308 252 T C -0.029 174.649 174.700 -0.036 0.000 0.952 252 T CA 0.075 62.145 62.100 -0.049 0.000 0.970 252 T CB 0.029 68.885 68.868 -0.020 0.000 1.189 252 T HN 0.582 nan 8.240 nan 0.000 0.528 253 D N 0.613 120.988 120.400 -0.041 0.000 2.432 253 D HA 0.174 4.814 4.640 -0.000 0.000 0.258 253 D C 1.420 177.701 176.300 -0.032 0.000 1.146 253 D CA -0.757 53.226 54.000 -0.029 0.000 1.015 253 D CB 1.017 41.803 40.800 -0.024 0.000 1.107 253 D HN 0.186 nan 8.370 nan 0.000 0.529 254 Q N -0.227 119.560 119.800 -0.023 0.000 2.112 254 Q HA -0.236 4.104 4.340 -0.000 0.000 0.206 254 Q C 1.528 177.512 176.000 -0.026 0.000 0.987 254 Q CA 2.204 57.995 55.803 -0.020 0.000 0.858 254 Q CB -0.113 28.617 28.738 -0.014 0.000 0.905 254 Q HN 0.440 nan 8.270 nan 0.000 0.420 255 S N -0.723 114.960 115.700 -0.028 0.000 2.456 255 S HA 0.015 4.485 4.470 -0.000 0.000 0.224 255 S C 1.329 175.901 174.600 -0.046 0.000 1.035 255 S CA 0.574 58.756 58.200 -0.030 0.000 0.940 255 S CB 0.155 63.341 63.200 -0.023 0.000 0.799 255 S HN 0.566 nan 8.310 nan 0.000 0.508 256 S N 1.114 116.777 115.700 -0.061 0.000 2.588 256 S HA 0.373 4.842 4.470 -0.000 0.000 0.245 256 S C -0.259 174.253 174.600 -0.147 0.000 1.021 256 S CA -0.565 57.579 58.200 -0.095 0.000 1.006 256 S CB 0.039 63.187 63.200 -0.087 0.000 0.830 256 S HN 0.286 nan 8.310 nan 0.000 0.468 257 L N 2.599 123.751 121.223 -0.119 0.000 2.363 257 L HA 0.674 5.014 4.340 -0.000 0.000 0.286 257 L C 0.895 177.673 176.870 -0.153 0.000 1.106 257 L CA 1.232 55.992 54.840 -0.133 0.000 0.859 257 L CB -0.205 41.811 42.059 -0.071 0.000 1.223 257 L HN 0.564 nan 8.230 nan 0.000 0.446 258 G N 2.978 111.604 108.800 -0.291 0.000 2.164 258 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.154 258 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.154 258 G C -0.050 174.594 174.900 -0.426 0.000 1.014 258 G CA 0.008 44.959 45.100 -0.250 0.000 0.683 258 G HN 0.661 nan 8.290 nan 0.000 0.500 259 Q N -0.497 118.888 119.800 -0.691 0.000 2.345 259 Q HA 0.818 5.157 4.340 -0.000 0.000 0.268 259 Q C -1.177 174.266 176.000 -0.930 0.000 1.054 259 Q CA -0.918 54.559 55.803 -0.545 0.000 0.835 259 Q CB 1.422 30.013 28.738 -0.245 0.000 1.339 259 Q HN 0.150 nan 8.270 nan 0.000 0.447 260 F N -0.219 119.723 119.950 -0.014 0.000 2.626 260 F HA 0.500 5.027 4.527 -0.000 0.000 0.311 260 F C -0.303 175.470 175.800 -0.044 0.000 1.088 260 F CA -0.873 57.117 58.000 -0.018 0.000 0.949 260 F CB 2.420 41.414 39.000 -0.011 0.000 1.322 260 F HN 0.330 nan 8.300 nan 0.000 0.461 261 S N 0.429 116.215 115.700 0.142 0.000 2.707 261 S HA 0.651 5.121 4.470 -0.000 0.000 0.303 261 S C -0.412 174.178 174.600 -0.016 0.000 1.132 261 S CA -0.571 57.648 58.200 0.032 0.000 1.046 261 S CB 0.847 64.049 63.200 0.003 0.000 1.004 261 S HN 1.015 nan 8.310 nan 0.000 0.483 262 G N 3.495 112.264 108.800 -0.051 0.000 2.364 262 G HA2 0.349 4.309 3.960 -0.000 0.000 0.267 262 G HA3 0.349 4.309 3.960 -0.000 0.000 0.267 262 G C -0.348 174.467 174.900 -0.141 0.000 1.233 262 G CA -0.370 44.672 45.100 -0.098 0.000 0.885 262 G HN 0.676 nan 8.290 nan 0.000 0.490 263 R N 2.862 123.188 120.500 -0.290 0.000 2.288 263 R HA 0.344 4.684 4.340 -0.000 0.000 0.326 263 R C -0.989 175.199 176.300 -0.187 0.000 0.959 263 R CA -0.500 55.404 56.100 -0.328 0.000 0.834 263 R CB 1.412 31.267 30.300 -0.740 0.000 1.157 263 R HN 0.314 nan 8.270 nan 0.000 0.470 264 V N 5.962 125.863 119.914 -0.022 0.000 2.304 264 V HA 0.191 4.311 4.120 -0.000 0.000 0.262 264 V C -0.138 176.025 176.094 0.114 0.000 1.061 264 V CA -0.263 62.077 62.300 0.067 0.000 0.872 264 V CB 1.130 33.014 31.823 0.102 0.000 1.077 264 V HN 0.678 nan 8.190 nan 0.000 0.480 265 Q N 3.878 123.764 119.800 0.143 0.000 2.348 265 Q HA 0.558 4.898 4.340 -0.000 0.000 0.265 265 Q C -0.869 175.243 176.000 0.186 0.000 0.998 265 Q CA -0.639 55.267 55.803 0.172 0.000 0.831 265 Q CB 2.458 31.312 28.738 0.193 0.000 1.251 265 Q HN 0.560 nan 8.270 nan 0.000 0.456 266 Q N 1.723 121.652 119.800 0.216 0.000 2.320 266 Q HA 0.285 4.625 4.340 -0.000 0.000 0.268 266 Q C -1.260 174.897 176.000 0.263 0.000 1.023 266 Q CA -0.202 55.764 55.803 0.272 0.000 0.744 266 Q CB 1.884 30.865 28.738 0.406 0.000 1.246 266 Q HN 0.465 nan 8.270 nan 0.000 0.462 267 T N 5.247 119.865 114.554 0.107 0.000 2.814 267 T HA 0.536 4.886 4.350 -0.000 0.000 0.297 267 T C -0.450 174.170 174.700 -0.133 0.000 0.956 267 T CA 0.109 62.181 62.100 -0.046 0.000 1.123 267 T CB -0.240 68.575 68.868 -0.089 0.000 0.902 267 T HN 0.436 nan 8.240 nan 0.000 0.528 268 F N 1.642 121.411 119.950 -0.302 0.000 2.650 268 F HA 0.770 5.297 4.527 -0.000 0.000 0.320 268 F C -0.726 174.864 175.800 -0.350 0.000 1.091 268 F CA -1.459 56.163 58.000 -0.630 0.000 0.962 268 F CB 1.758 40.190 39.000 -0.947 0.000 1.363 268 F HN 0.526 nan 8.300 nan 0.000 0.482 269 N N -0.273 118.386 118.700 -0.068 0.000 2.405 269 N HA 0.394 5.134 4.740 -0.000 0.000 0.274 269 N C -2.440 173.154 175.510 0.140 0.000 1.170 269 N CA -0.628 52.397 53.050 -0.042 0.000 0.848 269 N CB 1.771 40.180 38.487 -0.131 0.000 1.629 269 N HN 0.987 nan 8.380 nan 0.000 0.481 270 H N 1.503 120.583 119.070 0.017 0.000 2.856 270 H HA 0.454 5.009 4.556 -0.000 0.000 0.355 270 H C -1.655 173.683 175.328 0.017 0.000 1.079 270 H CA -0.412 55.660 56.048 0.039 0.000 1.240 270 H CB 1.403 31.233 29.762 0.114 0.000 1.701 270 H HN 0.418 nan 8.280 nan 0.000 0.527 271 K N 4.189 124.350 120.400 -0.399 0.000 2.502 271 K HA 0.419 4.739 4.320 -0.000 0.000 0.254 271 K C -1.420 174.994 176.600 -0.311 0.000 0.947 271 K CA -0.736 55.400 56.287 -0.252 0.000 0.834 271 K CB 1.535 33.949 32.500 -0.144 0.000 1.112 271 K HN 0.350 nan 8.250 nan 0.000 0.427 272 V N 6.824 126.649 119.914 -0.149 0.000 2.353 272 V HA 0.235 4.355 4.120 -0.000 0.000 0.264 272 V C -1.986 174.133 176.094 0.040 0.000 1.049 272 V CA -1.864 60.423 62.300 -0.021 0.000 0.896 272 V CB 0.474 32.416 31.823 0.198 0.000 1.025 272 V HN 0.721 nan 8.190 nan 0.000 0.475 273 P HA 0.066 nan 4.420 nan 0.000 0.268 273 P C 0.121 177.506 177.300 0.143 0.000 1.208 273 P CA -0.421 62.714 63.100 0.058 0.000 0.777 273 P CB 0.549 32.276 31.700 0.045 0.000 0.875 274 R N 1.396 121.973 120.500 0.128 0.000 2.644 274 R HA 0.069 4.409 4.340 -0.000 0.000 0.265 274 R C -0.909 175.559 176.300 0.281 0.000 0.985 274 R CA 0.563 56.773 56.100 0.183 0.000 1.097 274 R CB -0.261 30.115 30.300 0.126 0.000 0.931 274 R HN 0.498 nan 8.270 nan 0.000 0.419 275 F N 4.392 124.430 119.950 0.148 0.000 2.588 275 F HA 0.246 4.772 4.527 -0.000 0.000 0.314 275 F C -1.824 174.042 175.800 0.110 0.000 1.134 275 F CA -1.098 56.965 58.000 0.104 0.000 0.961 275 F CB 1.078 40.108 39.000 0.050 0.000 1.239 275 F HN 0.516 nan 8.300 nan 0.000 0.448 276 Y N 6.692 126.408 120.300 -0.973 0.000 2.452 276 Y HA 0.524 5.074 4.550 -0.000 0.000 0.348 276 Y C -0.891 174.252 175.900 -1.262 0.000 0.985 276 Y CA -0.649 56.978 58.100 -0.789 0.000 1.214 276 Y CB 0.753 38.912 38.460 -0.501 0.000 1.136 276 Y HN 0.403 nan 8.280 nan 0.000 0.523 277 V N 10.950 130.301 119.914 -0.940 0.000 2.387 277 V HA 0.095 4.215 4.120 -0.000 0.000 0.260 277 V C -1.505 174.224 176.094 -0.609 0.000 1.054 277 V CA -1.183 60.759 62.300 -0.596 0.000 0.967 277 V CB 0.663 32.389 31.823 -0.161 0.000 1.036 277 V HN 0.748 nan 8.190 nan 0.000 0.481 278 P HA -0.088 nan 4.420 nan 0.000 0.214 278 P C 0.350 177.657 177.300 0.012 0.000 1.163 278 P CA 1.205 64.210 63.100 -0.158 0.000 0.883 278 P CB 0.496 32.285 31.700 0.148 0.000 0.788 279 E N -2.518 117.793 120.200 0.184 0.000 2.404 279 E HA 0.334 4.684 4.350 -0.000 0.000 0.264 279 E C -0.649 176.071 176.600 0.200 0.000 0.946 279 E CA -0.944 55.599 56.400 0.237 0.000 0.806 279 E CB 0.439 30.289 29.700 0.251 0.000 1.334 279 E HN 0.068 nan 8.360 nan 0.000 0.429 280 H N -0.404 118.745 119.070 0.132 0.000 2.848 280 H HA 0.503 5.059 4.556 -0.000 0.000 0.341 280 H C 0.339 175.413 175.328 -0.423 0.000 1.060 280 H CA 1.282 57.364 56.048 0.057 0.000 1.444 280 H CB 0.916 30.891 29.762 0.354 0.000 1.446 280 H HN 0.646 nan 8.280 nan 0.000 0.583 281 G N 0.466 108.913 108.800 -0.588 0.000 2.340 281 G HA2 0.352 4.312 3.960 -0.000 0.000 0.299 281 G HA3 0.352 4.312 3.960 -0.000 0.000 0.299 281 G C -1.691 172.788 174.900 -0.702 0.000 1.291 281 G CA -0.354 43.989 45.100 -1.263 0.000 0.841 281 G HN 0.648 nan 8.290 nan 0.000 0.500 282 V N -0.041 119.524 119.914 -0.582 0.000 2.667 282 V HA 0.787 4.907 4.120 -0.000 0.000 0.308 282 V C -0.678 175.365 176.094 -0.085 0.000 1.048 282 V CA -1.016 61.210 62.300 -0.123 0.000 0.928 282 V CB 1.522 33.436 31.823 0.152 0.000 1.004 282 V HN 0.598 nan 8.190 nan 0.000 0.444 283 I N 6.692 127.262 120.570 -0.000 0.000 2.354 283 I HA 0.411 4.581 4.170 -0.000 0.000 0.286 283 I C -0.001 176.161 176.117 0.074 0.000 1.007 283 I CA -0.122 61.136 61.300 -0.071 0.000 1.167 283 I CB 1.541 39.279 38.000 -0.436 0.000 1.320 283 I HN 0.439 nan 8.210 nan 0.000 0.458 284 M N 5.073 124.751 119.600 0.130 0.000 2.209 284 M HA 0.367 4.847 4.480 -0.000 0.000 0.355 284 M C -0.508 175.938 176.300 0.243 0.000 1.171 284 M CA -0.092 55.340 55.300 0.221 0.000 1.069 284 M CB 1.617 34.352 32.600 0.225 0.000 1.622 284 M HN 0.445 nan 8.290 nan 0.000 0.459 285 T N 4.870 119.567 114.554 0.238 0.000 2.815 285 T HA 0.673 5.023 4.350 -0.000 0.000 0.289 285 T C -0.790 174.079 174.700 0.282 0.000 1.000 285 T CA -0.582 61.669 62.100 0.251 0.000 0.958 285 T CB 0.782 69.774 68.868 0.206 0.000 0.944 285 T HN 0.348 nan 8.240 nan 0.000 0.442 286 L N 2.174 123.586 121.223 0.316 0.000 2.323 286 L HA 0.972 5.312 4.340 -0.000 0.000 0.265 286 L C -0.040 176.986 176.870 0.260 0.000 1.012 286 L CA -0.981 54.038 54.840 0.299 0.000 0.820 286 L CB 1.619 43.840 42.059 0.269 0.000 1.334 286 L HN 0.695 nan 8.230 nan 0.000 0.427 287 A N 0.731 123.670 122.820 0.198 0.000 2.380 287 A HA 0.924 5.244 4.320 -0.000 0.000 0.315 287 A C -1.414 176.177 177.584 0.012 0.000 1.101 287 A CA -0.798 51.254 52.037 0.025 0.000 0.771 287 A CB 2.145 21.096 19.000 -0.083 0.000 1.287 287 A HN 0.629 nan 8.150 nan 0.000 0.436 288 V N 1.504 121.331 119.914 -0.146 0.000 2.653 288 V HA 0.604 4.724 4.120 -0.000 0.000 0.298 288 V C -0.892 174.982 176.094 -0.367 0.000 1.097 288 V CA -0.044 62.171 62.300 -0.142 0.000 0.908 288 V CB 1.982 33.806 31.823 0.002 0.000 1.024 288 V HN 0.994 nan 8.190 nan 0.000 0.435 289 T N 7.994 122.272 114.554 -0.460 0.000 2.771 289 T HA 0.719 5.069 4.350 -0.000 0.000 0.281 289 T C -0.393 174.042 174.700 -0.442 0.000 0.982 289 T CA -0.487 61.242 62.100 -0.619 0.000 0.978 289 T CB 1.032 69.353 68.868 -0.913 0.000 0.930 289 T HN 0.767 nan 8.240 nan 0.000 0.447 290 R N 1.421 121.621 120.500 -0.501 0.000 2.774 290 R HA 0.607 4.947 4.340 -0.000 0.000 0.272 290 R C -1.562 174.449 176.300 -0.482 0.000 1.000 290 R CA -0.843 55.023 56.100 -0.390 0.000 0.906 290 R CB 1.712 31.907 30.300 -0.176 0.000 1.227 290 R HN 0.396 nan 8.270 nan 0.000 0.468 291 F N 1.383 121.231 119.950 -0.170 0.000 2.492 291 F HA 0.439 4.966 4.527 -0.000 0.000 0.327 291 F C -1.759 174.047 175.800 0.011 0.000 1.079 291 F CA -2.557 55.388 58.000 -0.092 0.000 0.967 291 F CB 1.093 39.981 39.000 -0.188 0.000 1.169 291 F HN 0.228 nan 8.300 nan 0.000 0.472 292 P HA 0.077 nan 4.420 nan 0.000 0.265 292 P C -2.490 174.915 177.300 0.174 0.000 1.193 292 P CA -1.178 62.060 63.100 0.230 0.000 0.765 292 P CB -0.226 31.623 31.700 0.248 0.000 0.823 293 P HA 0.030 nan 4.420 nan 0.000 0.238 293 P C -0.473 177.083 177.300 0.427 0.000 1.729 293 P CA 0.388 63.650 63.100 0.271 0.000 1.055 293 P CB -0.822 31.023 31.700 0.242 0.000 1.980 294 T N 2.629 117.356 114.554 0.287 0.000 2.747 294 T HA 0.108 4.458 4.350 -0.000 0.000 0.301 294 T C -0.032 174.960 174.700 0.486 0.000 0.952 294 T CA -0.016 62.339 62.100 0.425 0.000 0.983 294 T CB -0.148 69.013 68.868 0.488 0.000 0.930 294 T HN 0.284 nan 8.240 nan 0.000 0.494 295 H N 2.402 121.788 119.070 0.527 0.000 2.481 295 H HA 0.225 4.781 4.556 -0.000 0.000 0.339 295 H C 0.746 176.208 175.328 0.224 0.000 1.131 295 H CA -0.265 56.040 56.048 0.428 0.000 1.301 295 H CB 1.196 31.218 29.762 0.433 0.000 1.476 295 H HN 0.669 nan 8.280 nan 0.000 0.529 296 E N 3.156 123.444 120.200 0.147 0.000 2.502 296 E HA 0.023 4.373 4.350 -0.000 0.000 0.194 296 E C 0.532 177.258 176.600 0.209 0.000 1.062 296 E CA 0.271 56.700 56.400 0.048 0.000 0.867 296 E CB 0.532 30.168 29.700 -0.107 0.000 0.888 296 E HN 0.549 nan 8.360 nan 0.000 0.510 297 M N 0.325 120.253 119.600 0.546 0.000 2.540 297 M HA 0.109 4.589 4.480 -0.000 0.000 0.404 297 M C -0.223 176.282 176.300 0.342 0.000 1.133 297 M CA -0.032 55.482 55.300 0.357 0.000 0.900 297 M CB 1.259 34.059 32.600 0.333 0.000 1.540 297 M HN -0.072 nan 8.290 nan 0.000 0.539 298 E N 2.952 123.346 120.200 0.324 0.000 2.316 298 E HA 0.307 4.657 4.350 -0.000 0.000 0.275 298 E C -0.603 175.986 176.600 -0.018 0.000 1.029 298 E CA -0.157 56.202 56.400 -0.069 0.000 0.871 298 E CB 0.836 30.565 29.700 0.050 0.000 1.022 298 E HN 0.348 nan 8.360 nan 0.000 0.418 299 M N 2.477 122.011 119.600 -0.110 0.000 2.578 299 M HA 0.346 4.826 4.480 -0.000 0.000 0.321 299 M C -0.516 175.782 176.300 -0.003 0.000 1.182 299 M CA -1.017 54.274 55.300 -0.015 0.000 0.965 299 M CB 1.487 34.070 32.600 -0.030 0.000 1.694 299 M HN 0.472 nan 8.290 nan 0.000 0.461 300 H N 1.667 120.715 119.070 -0.038 0.000 3.046 300 H HA 0.016 4.571 4.556 -0.000 0.000 0.303 300 H C 0.358 175.587 175.328 -0.164 0.000 1.002 300 H CA 0.614 56.648 56.048 -0.024 0.000 1.460 300 H CB 0.397 30.147 29.762 -0.021 0.000 1.493 300 H HN 0.702 nan 8.280 nan 0.000 0.559 301 Y N 4.510 124.409 120.300 -0.668 0.000 2.062 301 Y HA -0.359 4.191 4.550 -0.000 0.000 0.273 301 Y C 1.606 177.165 175.900 -0.568 0.000 1.206 301 Y CA 2.313 59.892 58.100 -0.869 0.000 1.125 301 Y CB -0.438 37.505 38.460 -0.862 0.000 0.951 301 Y HN 0.742 nan 8.280 nan 0.000 0.501 302 L N -0.932 120.002 121.223 -0.481 0.000 2.191 302 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 302 L C 2.417 179.121 176.870 -0.276 0.000 1.103 302 L CA 1.276 55.875 54.840 -0.402 0.000 0.769 302 L CB -0.538 41.494 42.059 -0.045 0.000 0.908 302 L HN 0.291 nan 8.230 nan 0.000 0.438 303 V N -1.072 118.763 119.914 -0.131 0.000 3.506 303 V HA 0.113 4.233 4.120 -0.000 0.000 0.263 303 V C 1.867 177.854 176.094 -0.179 0.000 1.203 303 V CA 1.229 63.455 62.300 -0.123 0.000 1.133 303 V CB 0.565 32.366 31.823 -0.037 0.000 0.802 303 V HN 0.406 nan 8.190 nan 0.000 0.459 304 G N 0.658 109.284 108.800 -0.290 0.000 2.833 304 G HA2 0.081 4.041 3.960 -0.000 0.000 0.210 304 G HA3 0.081 4.041 3.960 -0.000 0.000 0.210 304 G C 0.566 175.254 174.900 -0.353 0.000 1.139 304 G CA 0.121 45.053 45.100 -0.280 0.000 0.771 304 G HN 0.625 nan 8.290 nan 0.000 0.535 305 K N 0.961 121.042 120.400 -0.532 0.000 2.253 305 K HA 0.606 4.925 4.320 -0.000 0.000 0.277 305 K C 0.249 176.625 176.600 -0.373 0.000 1.053 305 K CA -0.376 55.590 56.287 -0.535 0.000 0.892 305 K CB 2.492 34.428 32.500 -0.939 0.000 1.102 305 K HN -0.112 nan 8.250 nan 0.000 0.469 306 E N 2.440 122.490 120.200 -0.251 0.000 1.998 306 E HA -0.091 4.258 4.350 -0.000 0.000 0.196 306 E C -0.132 176.371 176.600 -0.162 0.000 1.003 306 E CA 1.267 57.561 56.400 -0.177 0.000 0.829 306 E CB 0.075 29.698 29.700 -0.128 0.000 0.777 306 E HN 0.639 nan 8.360 nan 0.000 0.460 307 N N 1.377 119.993 118.700 -0.140 0.000 2.430 307 N HA 0.090 4.830 4.740 -0.000 0.000 0.265 307 N C -0.752 174.682 175.510 -0.127 0.000 1.100 307 N CA -0.022 52.963 53.050 -0.108 0.000 0.961 307 N CB 0.673 39.115 38.487 -0.075 0.000 1.075 307 N HN 0.087 nan 8.380 nan 0.000 0.478 308 L N 2.853 124.010 121.223 -0.110 0.000 2.260 308 L HA 0.172 4.512 4.340 -0.000 0.000 0.289 308 L C 1.355 178.204 176.870 -0.035 0.000 1.057 308 L CA -0.393 54.384 54.840 -0.106 0.000 0.811 308 L CB 0.746 42.747 42.059 -0.097 0.000 1.184 308 L HN 0.544 nan 8.230 nan 0.000 0.429 309 T N -0.845 113.699 114.554 -0.017 0.000 2.862 309 T HA 0.089 4.439 4.350 -0.000 0.000 0.276 309 T C 1.017 175.784 174.700 0.112 0.000 0.974 309 T CA -0.317 61.818 62.100 0.057 0.000 0.966 309 T CB 0.911 69.816 68.868 0.062 0.000 1.072 309 T HN 0.471 nan 8.240 nan 0.000 0.538 310 Y N 1.013 121.342 120.300 0.049 0.000 2.207 310 Y HA -0.080 4.469 4.550 -0.000 0.000 0.287 310 Y C 2.651 178.621 175.900 0.116 0.000 1.156 310 Y CA 2.302 60.445 58.100 0.072 0.000 1.182 310 Y CB -0.922 37.572 38.460 0.056 0.000 0.979 310 Y HN 0.771 nan 8.280 nan 0.000 0.521 311 T N 0.354 115.028 114.554 0.199 0.000 2.867 311 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 311 T C 1.299 176.139 174.700 0.234 0.000 1.057 311 T CA 1.622 63.835 62.100 0.188 0.000 1.136 311 T CB -0.228 68.775 68.868 0.226 0.000 0.874 311 T HN 0.531 nan 8.240 nan 0.000 0.466 312 D N 0.294 120.806 120.400 0.187 0.000 2.183 312 D HA 0.041 4.681 4.640 -0.000 0.000 0.205 312 D C 1.756 178.251 176.300 0.325 0.000 0.962 312 D CA 0.675 54.806 54.000 0.219 0.000 0.849 312 D CB 0.126 40.857 40.800 -0.116 0.000 0.978 312 D HN 0.289 nan 8.370 nan 0.000 0.488 313 I N 0.763 121.436 120.570 0.172 0.000 3.526 313 I HA 0.109 4.279 4.170 -0.000 0.000 0.294 313 I C 2.008 178.231 176.117 0.177 0.000 1.229 313 I CA 0.156 61.578 61.300 0.203 0.000 1.408 313 I CB 0.040 38.083 38.000 0.070 0.000 1.127 313 I HN -0.179 nan 8.210 nan 0.000 0.439 314 A N -1.161 121.602 122.820 -0.094 0.000 2.021 314 A HA -0.024 4.295 4.320 -0.000 0.000 0.216 314 A C 1.716 179.173 177.584 -0.213 0.000 1.163 314 A CA 0.791 52.656 52.037 -0.287 0.000 0.676 314 A CB -0.863 17.574 19.000 -0.938 0.000 0.818 314 A HN 0.553 nan 8.150 nan 0.000 0.453 315 C N 1.290 120.519 119.300 -0.118 0.000 4.209 315 C HA -0.132 4.328 4.460 -0.000 0.000 0.305 315 C C -0.033 174.867 174.990 -0.150 0.000 1.339 315 C CA -0.085 58.827 59.018 -0.177 0.000 2.062 315 C CB -2.948 24.451 27.740 -0.568 0.000 1.307 315 C HN 0.659 nan 8.230 nan 0.000 0.706 316 D N 1.462 121.801 120.400 -0.102 0.000 2.401 316 D HA 0.160 4.800 4.640 -0.000 0.000 0.254 316 D C -0.426 175.874 176.300 0.001 0.000 1.192 316 D CA -1.012 52.981 54.000 -0.012 0.000 0.885 316 D CB 1.222 42.089 40.800 0.113 0.000 1.147 316 D HN 0.334 nan 8.370 nan 0.000 0.478 317 P HA -0.147 nan 4.420 nan 0.000 0.215 317 P C 1.065 178.370 177.300 0.008 0.000 1.157 317 P CA 1.313 64.404 63.100 -0.015 0.000 0.868 317 P CB 0.069 31.759 31.700 -0.017 0.000 0.788 318 A N -0.314 122.524 122.820 0.029 0.000 1.948 318 A HA -0.176 4.143 4.320 -0.000 0.000 0.220 318 A C 2.373 179.986 177.584 0.049 0.000 1.177 318 A CA 1.534 53.593 52.037 0.038 0.000 0.636 318 A CB -1.573 17.457 19.000 0.050 0.000 0.815 318 A HN 0.111 nan 8.150 nan 0.000 0.449 319 L N -1.410 119.856 121.223 0.071 0.000 1.993 319 L HA -0.167 4.173 4.340 -0.000 0.000 0.206 319 L C 2.848 179.755 176.870 0.061 0.000 1.074 319 L CA 1.221 56.114 54.840 0.089 0.000 0.746 319 L CB -0.597 41.544 42.059 0.136 0.000 0.896 319 L HN 0.318 nan 8.230 nan 0.000 0.435 320 M N -0.067 119.555 119.600 0.036 0.000 2.144 320 M HA -0.168 4.312 4.480 -0.000 0.000 0.260 320 M C 2.175 178.469 176.300 -0.010 0.000 1.067 320 M CA 1.758 57.055 55.300 -0.004 0.000 1.095 320 M CB -1.451 31.117 32.600 -0.054 0.000 1.365 320 M HN 0.275 nan 8.290 nan 0.000 0.406 321 A N -0.374 122.445 122.820 -0.002 0.000 2.259 321 A HA 0.024 4.343 4.320 -0.000 0.000 0.208 321 A C 1.161 178.755 177.584 0.017 0.000 1.201 321 A CA 0.687 52.724 52.037 -0.000 0.000 0.824 321 A CB -0.395 18.605 19.000 -0.001 0.000 0.838 321 A HN 0.545 nan 8.150 nan 0.000 0.485 322 N N -0.648 118.070 118.700 0.030 0.000 2.073 322 N HA 0.175 4.915 4.740 -0.000 0.000 0.227 322 N C -0.553 174.992 175.510 0.058 0.000 1.367 322 N CA 0.018 53.093 53.050 0.042 0.000 0.775 322 N CB 0.600 39.110 38.487 0.038 0.000 1.234 322 N HN 0.450 nan 8.380 nan 0.000 0.512 323 L N -0.615 120.645 121.223 0.061 0.000 2.279 323 L HA 0.823 5.163 4.340 -0.000 0.000 0.262 323 L C -2.238 174.675 176.870 0.071 0.000 1.019 323 L CA -1.730 53.154 54.840 0.073 0.000 0.823 323 L CB -0.410 41.699 42.059 0.083 0.000 1.358 323 L HN -0.280 nan 8.230 nan 0.000 0.432 324 P HA 0.276 nan 4.420 nan 0.000 0.271 324 P C -2.591 174.750 177.300 0.067 0.000 1.233 324 P CA -0.930 62.215 63.100 0.075 0.000 0.789 324 P CB -0.744 30.997 31.700 0.068 0.000 0.951 325 P HA 0.116 nan 4.420 nan 0.000 0.267 325 P C -0.155 177.176 177.300 0.051 0.000 1.200 325 P CA 0.198 63.328 63.100 0.050 0.000 0.772 325 P CB 0.500 32.236 31.700 0.060 0.000 0.855 326 R N 1.923 122.456 120.500 0.055 0.000 2.265 326 R HA 0.190 4.530 4.340 -0.000 0.000 0.319 326 R C -0.024 176.270 176.300 -0.009 0.000 1.006 326 R CA -0.472 55.660 56.100 0.053 0.000 0.880 326 R CB 0.557 30.930 30.300 0.121 0.000 1.077 326 R HN 0.497 nan 8.270 nan 0.000 0.454 327 E N 4.190 124.374 120.200 -0.026 0.000 2.194 327 E HA 0.236 4.586 4.350 -0.000 0.000 0.284 327 E C -0.821 175.704 176.600 -0.126 0.000 1.035 327 E CA -0.662 55.691 56.400 -0.078 0.000 0.836 327 E CB 0.946 30.620 29.700 -0.044 0.000 1.070 327 E HN 0.389 nan 8.360 nan 0.000 0.401 328 V N 1.480 121.226 119.914 -0.280 0.000 3.113 328 V HA 0.673 4.793 4.120 -0.000 0.000 0.316 328 V C -0.135 175.707 176.094 -0.420 0.000 1.125 328 V CA -1.000 61.107 62.300 -0.322 0.000 1.026 328 V CB 1.545 33.144 31.823 -0.373 0.000 1.080 328 V HN 0.683 nan 8.190 nan 0.000 0.444 329 S N -0.008 115.584 115.700 -0.181 0.000 2.566 329 S HA 0.578 5.048 4.470 -0.000 0.000 0.298 329 S C 0.271 175.057 174.600 0.309 0.000 1.083 329 S CA -0.637 57.584 58.200 0.033 0.000 0.978 329 S CB 1.565 64.800 63.200 0.058 0.000 1.073 329 S HN 0.566 nan 8.310 nan 0.000 0.491 330 L N 1.489 123.006 121.223 0.489 0.000 2.556 330 L HA 0.041 4.381 4.340 -0.000 0.000 0.230 330 L C 2.356 179.468 176.870 0.403 0.000 1.163 330 L CA 1.469 56.645 54.840 0.560 0.000 0.819 330 L CB -0.685 41.557 42.059 0.306 0.000 0.939 330 L HN 0.793 nan 8.230 nan 0.000 0.452 331 K N -0.201 120.349 120.400 0.250 0.000 2.379 331 K HA 0.011 4.331 4.320 -0.000 0.000 0.194 331 K C 0.929 177.556 176.600 0.046 0.000 1.031 331 K CA 0.410 56.767 56.287 0.115 0.000 1.037 331 K CB 0.361 32.886 32.500 0.042 0.000 0.824 331 K HN 0.441 nan 8.250 nan 0.000 0.516 332 E N -1.020 119.228 120.200 0.079 0.000 2.463 332 E HA 0.038 4.388 4.350 -0.000 0.000 0.193 332 E C 0.058 176.415 176.600 -0.406 0.000 1.041 332 E CA 0.032 56.342 56.400 -0.150 0.000 0.879 332 E CB 0.371 30.037 29.700 -0.057 0.000 0.997 332 E HN 0.153 nan 8.360 nan 0.000 0.478 333 F N -1.108 118.809 119.950 -0.055 0.000 2.883 333 F HA 0.264 4.791 4.527 -0.000 0.000 0.351 333 F C 0.016 175.361 175.800 -0.758 0.000 0.970 333 F CA -0.292 57.505 58.000 -0.339 0.000 1.130 333 F CB 0.957 39.752 39.000 -0.342 0.000 1.015 333 F HN -0.153 nan 8.300 nan 0.000 0.585 334 F N -0.984 119.018 119.950 0.086 0.000 2.540 334 F HA 0.302 4.829 4.527 -0.000 0.000 0.317 334 F C 1.168 176.964 175.800 -0.006 0.000 1.104 334 F CA -1.444 56.526 58.000 -0.050 0.000 0.913 334 F CB 1.013 39.885 39.000 -0.214 0.000 1.170 334 F HN -0.138 nan 8.300 nan 0.000 0.450 335 H N 0.054 119.201 119.070 0.128 0.000 2.543 335 H HA 0.007 4.563 4.556 -0.000 0.000 0.286 335 H C 0.796 176.158 175.328 0.056 0.000 1.037 335 H CA 1.836 57.925 56.048 0.067 0.000 1.250 335 H CB 0.572 30.378 29.762 0.073 0.000 1.373 335 H HN 0.485 nan 8.280 nan 0.000 0.580 336 S N -1.897 113.792 115.700 -0.019 0.000 2.653 336 S HA 0.102 4.572 4.470 -0.000 0.000 0.259 336 S C 0.375 174.956 174.600 -0.032 0.000 1.076 336 S CA -0.204 57.952 58.200 -0.073 0.000 1.051 336 S CB 0.485 63.716 63.200 0.050 0.000 0.994 336 S HN 0.251 nan 8.310 nan 0.000 0.552 337 S N 3.920 119.630 115.700 0.016 0.000 2.571 337 S HA 0.093 4.563 4.470 -0.000 0.000 0.298 337 S C -2.520 172.095 174.600 0.025 0.000 1.280 337 S CA -0.472 57.747 58.200 0.031 0.000 1.052 337 S CB 0.225 63.490 63.200 0.108 0.000 0.799 337 S HN 0.113 nan 8.310 nan 0.000 0.501 338 P HA 0.097 nan 4.420 nan 0.000 0.268 338 P C 0.389 177.711 177.300 0.037 0.000 1.204 338 P CA -0.187 62.926 63.100 0.020 0.000 0.768 338 P CB 0.445 32.156 31.700 0.020 0.000 0.842 339 D N 1.877 122.288 120.400 0.018 0.000 2.265 339 D HA -0.142 4.498 4.640 -0.000 0.000 0.208 339 D C 1.560 177.876 176.300 0.027 0.000 0.977 339 D CA 1.758 55.767 54.000 0.016 0.000 0.871 339 D CB -0.045 40.753 40.800 -0.003 0.000 0.925 339 D HN 0.363 nan 8.370 nan 0.000 0.485 340 S N -0.518 115.200 115.700 0.030 0.000 2.414 340 S HA 0.147 4.617 4.470 -0.000 0.000 0.227 340 S C 1.265 175.897 174.600 0.053 0.000 1.022 340 S CA 0.315 58.534 58.200 0.032 0.000 0.958 340 S CB -0.195 63.019 63.200 0.023 0.000 0.797 340 S HN 0.269 nan 8.310 nan 0.000 0.493 341 A N 3.241 126.108 122.820 0.079 0.000 2.457 341 A HA 0.473 4.793 4.320 -0.000 0.000 0.298 341 A C 0.221 177.924 177.584 0.198 0.000 1.288 341 A CA -0.536 51.573 52.037 0.120 0.000 0.956 341 A CB 0.032 19.103 19.000 0.118 0.000 1.135 341 A HN 0.303 nan 8.150 nan 0.000 0.535 342 K N 1.419 121.917 120.400 0.162 0.000 2.168 342 K HA 0.794 5.113 4.320 -0.000 0.000 0.239 342 K C -0.633 176.147 176.600 0.301 0.000 0.999 342 K CA -0.381 55.988 56.287 0.137 0.000 0.900 342 K CB 1.256 33.777 32.500 0.035 0.000 1.111 342 K HN 0.727 nan 8.250 nan 0.000 0.452 343 F N -2.413 117.546 119.950 0.016 0.000 2.708 343 F HA 0.443 4.970 4.527 -0.000 0.000 0.309 343 F C -1.120 174.677 175.800 -0.006 0.000 1.120 343 F CA -1.260 56.728 58.000 -0.019 0.000 0.978 343 F CB 0.967 39.957 39.000 -0.017 0.000 1.283 343 F HN 0.187 nan 8.300 nan 0.000 0.439 344 K N 3.485 123.937 120.400 0.086 0.000 2.211 344 K HA 0.659 4.978 4.320 -0.000 0.000 0.275 344 K C -0.922 175.719 176.600 0.067 0.000 1.024 344 K CA -0.589 55.710 56.287 0.020 0.000 0.887 344 K CB 2.064 34.575 32.500 0.019 0.000 1.084 344 K HN 0.762 nan 8.250 nan 0.000 0.463 345 I N 1.310 121.895 120.570 0.026 0.000 2.797 345 I HA 0.479 4.649 4.170 -0.000 0.000 0.307 345 I C -0.837 175.291 176.117 0.018 0.000 1.033 345 I CA -0.948 60.381 61.300 0.048 0.000 1.071 345 I CB 1.815 39.850 38.000 0.059 0.000 1.255 345 I HN 0.713 nan 8.210 nan 0.000 0.445 346 A N 5.539 128.346 122.820 -0.022 0.000 2.366 346 A HA 0.283 4.603 4.320 -0.000 0.000 0.272 346 A C -0.073 177.438 177.584 -0.123 0.000 1.135 346 A CA -0.437 51.555 52.037 -0.075 0.000 0.804 346 A CB 0.221 19.151 19.000 -0.117 0.000 1.064 346 A HN 0.710 nan 8.150 nan 0.000 0.499 347 E N 0.977 121.122 120.200 -0.093 0.000 2.558 347 E HA 0.219 4.568 4.350 -0.000 0.000 0.255 347 E C 1.265 177.562 176.600 -0.504 0.000 0.968 347 E CA 1.656 57.964 56.400 -0.153 0.000 0.939 347 E CB 0.481 30.183 29.700 0.002 0.000 0.921 347 E HN 1.402 nan 8.360 nan 0.000 0.477 348 G N 3.642 111.636 108.800 -1.344 0.000 2.143 348 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.249 348 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.249 348 G C 0.938 175.183 174.900 -1.092 0.000 0.981 348 G CA 0.697 44.951 45.100 -1.411 0.000 0.665 348 G HN 0.499 nan 8.290 nan 0.000 0.528 349 Q N -0.008 119.260 119.800 -0.886 0.000 2.226 349 Q HA -0.064 4.276 4.340 -0.000 0.000 0.204 349 Q C 2.218 178.125 176.000 -0.155 0.000 0.975 349 Q CA 2.631 58.243 55.803 -0.318 0.000 0.866 349 Q CB -0.576 28.102 28.738 -0.099 0.000 0.915 349 Q HN 0.984 nan 8.270 nan 0.000 0.440 350 W N -2.326 118.972 121.300 -0.003 0.000 2.611 350 W HA 0.014 4.674 4.660 -0.000 0.000 0.251 350 W C 0.669 177.152 176.519 -0.060 0.000 1.265 350 W CA 0.065 57.367 57.345 -0.072 0.000 1.295 350 W CB -0.612 28.771 29.460 -0.128 0.000 1.129 350 W HN 0.016 nan 8.180 nan 0.000 0.630 351 Y N 0.983 121.198 120.300 -0.142 0.000 2.458 351 Y HA 0.282 4.831 4.550 -0.000 0.000 0.256 351 Y C 1.836 177.719 175.900 -0.027 0.000 1.159 351 Y CA -0.169 57.916 58.100 -0.026 0.000 1.261 351 Y CB -0.058 38.320 38.460 -0.136 0.000 1.119 351 Y HN -0.022 nan 8.280 nan 0.000 0.524 352 R N -1.161 119.393 120.500 0.090 0.000 2.397 352 R HA 0.291 4.631 4.340 -0.000 0.000 0.241 352 R C -0.066 176.281 176.300 0.079 0.000 0.914 352 R CA 0.437 56.572 56.100 0.058 0.000 1.071 352 R CB 0.586 30.883 30.300 -0.006 0.000 1.116 352 R HN 0.021 nan 8.270 nan 0.000 0.524 353 T N -0.278 114.346 114.554 0.116 0.000 2.787 353 T HA 0.301 4.651 4.350 -0.000 0.000 0.297 353 T C -1.673 173.134 174.700 0.179 0.000 1.221 353 T CA -0.682 61.494 62.100 0.127 0.000 1.006 353 T CB 2.652 71.587 68.868 0.112 0.000 1.328 353 T HN -0.080 nan 8.240 nan 0.000 0.509 354 Q N 1.316 121.219 119.800 0.172 0.000 2.296 354 Q HA 0.498 4.838 4.340 -0.000 0.000 0.254 354 Q C -2.861 173.254 176.000 0.192 0.000 0.936 354 Q CA -1.260 54.667 55.803 0.207 0.000 0.834 354 Q CB 1.469 30.308 28.738 0.169 0.000 1.340 354 Q HN 0.307 nan 8.270 nan 0.000 0.428 355 P HA 0.218 nan 4.420 nan 0.000 0.272 355 P C -0.909 176.504 177.300 0.188 0.000 1.230 355 P CA -0.247 62.992 63.100 0.231 0.000 0.788 355 P CB 0.595 32.451 31.700 0.260 0.000 0.949 356 D N 0.384 120.900 120.400 0.193 0.000 2.339 356 D HA 0.307 4.947 4.640 -0.000 0.000 0.245 356 D C 0.396 176.762 176.300 0.110 0.000 1.115 356 D CA 0.174 54.259 54.000 0.141 0.000 0.917 356 D CB 0.471 41.368 40.800 0.163 0.000 1.192 356 D HN 0.266 nan 8.370 nan 0.000 0.428 357 R N 0.342 120.864 120.500 0.037 0.000 2.513 357 R HA 0.567 4.907 4.340 -0.000 0.000 0.301 357 R C -2.018 174.204 176.300 -0.131 0.000 0.968 357 R CA -0.660 55.435 56.100 -0.008 0.000 0.872 357 R CB 1.111 31.416 30.300 0.008 0.000 1.177 357 R HN 0.179 nan 8.270 nan 0.000 0.444 358 V N 4.261 124.066 119.914 -0.182 0.000 2.407 358 V HA 0.567 4.687 4.120 -0.000 0.000 0.291 358 V C 0.229 176.200 176.094 -0.205 0.000 1.018 358 V CA -0.829 61.231 62.300 -0.400 0.000 0.842 358 V CB 1.353 32.835 31.823 -0.568 0.000 0.996 358 V HN 1.035 nan 8.190 nan 0.000 0.426 359 A N 3.809 126.548 122.820 -0.135 0.000 2.531 359 A HA 0.231 4.551 4.320 -0.000 0.000 0.236 359 A C 0.896 178.593 177.584 0.189 0.000 1.062 359 A CA 0.052 52.147 52.037 0.097 0.000 0.760 359 A CB -0.187 18.935 19.000 0.202 0.000 0.995 359 A HN 0.966 nan 8.150 nan 0.000 0.501 360 F N 4.209 124.165 119.950 0.009 0.000 2.192 360 F HA -0.080 4.447 4.527 -0.000 0.000 0.301 360 F C -0.755 175.041 175.800 -0.007 0.000 1.079 360 F CA 2.008 60.001 58.000 -0.012 0.000 1.303 360 F CB -1.078 37.899 39.000 -0.038 0.000 1.024 360 F HN 0.433 nan 8.300 nan 0.000 0.494 361 P HA -0.188 nan 4.420 nan 0.000 0.223 361 P C 1.044 178.262 177.300 -0.136 0.000 1.144 361 P CA 1.689 64.893 63.100 0.173 0.000 0.783 361 P CB -0.358 31.354 31.700 0.020 0.000 0.771 362 Y N 0.702 120.893 120.300 -0.183 0.000 2.231 362 Y HA -0.038 4.512 4.550 -0.000 0.000 0.294 362 Y C 2.326 178.053 175.900 -0.287 0.000 1.120 362 Y CA 1.196 59.096 58.100 -0.333 0.000 1.141 362 Y CB -1.407 36.712 38.460 -0.570 0.000 1.022 362 Y HN 0.052 nan 8.280 nan 0.000 0.523 363 N N 0.819 119.412 118.700 -0.178 0.000 2.661 363 N HA -0.146 4.594 4.740 -0.000 0.000 0.196 363 N C 0.803 176.185 175.510 -0.214 0.000 1.129 363 N CA 0.742 53.654 53.050 -0.231 0.000 0.938 363 N CB -0.067 38.211 38.487 -0.348 0.000 0.966 363 N HN 0.264 nan 8.380 nan 0.000 0.450 364 A N 0.390 123.102 122.820 -0.181 0.000 2.631 364 A HA 0.382 4.702 4.320 -0.000 0.000 0.294 364 A C -0.610 176.965 177.584 -0.014 0.000 1.156 364 A CA -0.404 51.570 52.037 -0.105 0.000 0.963 364 A CB 0.494 19.429 19.000 -0.109 0.000 1.202 364 A HN 0.211 nan 8.150 nan 0.000 0.523 365 L N 1.163 122.412 121.223 0.044 0.000 2.441 365 L HA 0.464 4.804 4.340 -0.000 0.000 0.270 365 L C -1.701 175.319 176.870 0.251 0.000 0.973 365 L CA -0.591 54.346 54.840 0.163 0.000 0.842 365 L CB 1.696 43.920 42.059 0.276 0.000 1.239 365 L HN 0.135 nan 8.230 nan 0.000 0.406 366 D N 3.106 123.593 120.400 0.145 0.000 2.249 366 D HA 0.675 5.315 4.640 -0.000 0.000 0.246 366 D C 1.013 177.328 176.300 0.024 0.000 1.114 366 D CA 0.435 54.490 54.000 0.092 0.000 0.854 366 D CB 1.982 42.806 40.800 0.041 0.000 1.132 366 D HN 0.773 nan 8.370 nan 0.000 0.461 367 G N 1.212 109.985 108.800 -0.044 0.000 2.559 367 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.202 367 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.202 367 G C -0.324 174.326 174.900 -0.416 0.000 0.992 367 G CA -0.668 44.279 45.100 -0.254 0.000 0.764 367 G HN 0.318 nan 8.290 nan 0.000 0.525 368 F N 2.103 122.037 119.950 -0.027 0.000 2.388 368 F HA 0.488 5.015 4.527 -0.000 0.000 0.358 368 F C -1.883 173.706 175.800 -0.350 0.000 1.122 368 F CA -2.605 55.368 58.000 -0.045 0.000 1.056 368 F CB 2.033 41.369 39.000 0.560 0.000 1.155 368 F HN -0.204 nan 8.300 nan 0.000 0.461 369 P HA 0.034 nan 4.420 nan 0.000 0.235 369 P C -0.949 175.852 177.300 -0.832 0.000 1.720 369 P CA 0.589 63.135 63.100 -0.924 0.000 1.003 369 P CB -0.642 29.948 31.700 -1.849 0.000 1.968 370 F N -0.406 119.458 119.950 -0.144 0.000 2.618 370 F HA 0.399 4.926 4.527 -0.000 0.000 0.332 370 F C 0.501 176.171 175.800 -0.216 0.000 1.061 370 F CA -1.214 56.697 58.000 -0.148 0.000 0.974 370 F CB 0.762 39.712 39.000 -0.083 0.000 1.310 370 F HN -0.135 nan 8.300 nan 0.000 0.491 371 Y N 1.212 121.524 120.300 0.020 0.000 2.504 371 Y HA 0.228 4.778 4.550 -0.000 0.000 0.351 371 Y C 1.200 176.768 175.900 -0.552 0.000 0.988 371 Y CA -0.425 57.508 58.100 -0.278 0.000 1.239 371 Y CB 0.844 39.209 38.460 -0.158 0.000 1.128 371 Y HN 0.549 nan 8.280 nan 0.000 0.525 372 S N 2.634 118.199 115.700 -0.224 0.000 2.317 372 S HA 0.104 4.574 4.470 -0.000 0.000 0.212 372 S C 1.172 175.578 174.600 -0.323 0.000 1.030 372 S CA 0.457 58.511 58.200 -0.244 0.000 0.970 372 S CB -0.237 62.900 63.200 -0.104 0.000 0.928 372 S HN 0.768 nan 8.310 nan 0.000 0.451 373 A N 1.296 123.995 122.820 -0.201 0.000 2.552 373 A HA 0.253 4.573 4.320 -0.000 0.000 0.241 373 A C 0.166 177.795 177.584 0.075 0.000 1.103 373 A CA 0.259 52.239 52.037 -0.094 0.000 0.789 373 A CB -0.322 18.616 19.000 -0.102 0.000 1.050 373 A HN 0.495 nan 8.150 nan 0.000 0.515 374 L N 0.898 122.139 121.223 0.029 0.000 2.456 374 L HA 0.318 4.657 4.340 -0.000 0.000 0.257 374 L C -1.425 175.258 176.870 -0.311 0.000 1.162 374 L CA -1.723 53.042 54.840 -0.126 0.000 0.808 374 L CB 0.416 42.380 42.059 -0.158 0.000 1.136 374 L HN 0.565 nan 8.230 nan 0.000 0.466 375 P HA -0.036 nan 4.420 nan 0.000 0.281 375 P C -0.932 176.200 177.300 -0.281 0.000 1.274 375 P CA -0.383 62.379 63.100 -0.563 0.000 0.794 375 P CB 0.351 31.592 31.700 -0.764 0.000 1.201 376 S N -1.404 114.186 115.700 -0.184 0.000 2.532 376 S HA 0.203 4.673 4.470 -0.000 0.000 0.318 376 S C 1.298 175.870 174.600 -0.047 0.000 1.083 376 S CA -0.303 57.844 58.200 -0.088 0.000 1.131 376 S CB -0.677 62.497 63.200 -0.044 0.000 0.973 376 S HN 0.432 nan 8.310 nan 0.000 0.468 377 T N 3.275 117.807 114.554 -0.036 0.000 2.780 377 T HA -0.228 4.122 4.350 -0.000 0.000 0.255 377 T C 0.527 175.243 174.700 0.027 0.000 1.065 377 T CA 2.037 64.139 62.100 0.004 0.000 1.155 377 T CB -0.607 68.266 68.868 0.008 0.000 0.837 377 T HN 0.725 nan 8.240 nan 0.000 0.479 378 D N 0.536 120.951 120.400 0.026 0.000 2.382 378 D HA 0.090 4.730 4.640 -0.000 0.000 0.245 378 D C 1.022 177.356 176.300 0.058 0.000 1.120 378 D CA -0.282 53.746 54.000 0.046 0.000 0.890 378 D CB 1.258 42.090 40.800 0.054 0.000 1.201 378 D HN 0.051 nan 8.370 nan 0.000 0.433 379 L N 5.347 126.606 121.223 0.060 0.000 1.921 379 L HA -0.183 4.157 4.340 -0.000 0.000 0.219 379 L C 2.276 179.263 176.870 0.195 0.000 1.081 379 L CA 1.898 56.774 54.840 0.060 0.000 0.771 379 L CB -0.821 41.197 42.059 -0.068 0.000 0.888 379 L HN 0.521 nan 8.230 nan 0.000 0.433 380 K N -0.664 119.933 120.400 0.328 0.000 1.974 380 K HA -0.350 3.970 4.320 -0.000 0.000 0.233 380 K C 1.877 178.611 176.600 0.224 0.000 1.017 380 K CA 2.602 59.126 56.287 0.395 0.000 1.030 380 K CB -0.740 31.935 32.500 0.291 0.000 0.728 380 K HN 0.474 nan 8.250 nan 0.000 0.455 381 D N -0.365 120.126 120.400 0.152 0.000 2.200 381 D HA -0.224 4.416 4.640 -0.000 0.000 0.192 381 D C 1.746 178.104 176.300 0.096 0.000 1.008 381 D CA 1.544 55.606 54.000 0.103 0.000 0.872 381 D CB -0.247 40.594 40.800 0.067 0.000 0.923 381 D HN 0.417 nan 8.370 nan 0.000 0.447 382 R N 0.698 121.256 120.500 0.097 0.000 2.325 382 R HA 0.022 4.361 4.340 -0.000 0.000 0.214 382 R C 1.297 177.716 176.300 0.199 0.000 0.961 382 R CA 0.404 56.563 56.100 0.099 0.000 1.086 382 R CB -0.033 30.290 30.300 0.038 0.000 1.037 382 R HN 0.325 nan 8.270 nan 0.000 0.493 383 V N -1.962 118.060 119.914 0.180 0.000 3.264 383 V HA 0.291 4.411 4.120 -0.000 0.000 0.217 383 V C 0.886 177.071 176.094 0.153 0.000 1.236 383 V CA -0.249 62.151 62.300 0.167 0.000 1.287 383 V CB -0.371 31.581 31.823 0.215 0.000 1.241 383 V HN 0.056 nan 8.190 nan 0.000 0.518 384 L N 3.531 124.840 121.223 0.144 0.000 2.628 384 L HA 0.143 4.483 4.340 -0.000 0.000 0.274 384 L C 0.608 177.581 176.870 0.173 0.000 1.209 384 L CA 0.533 55.461 54.840 0.146 0.000 0.930 384 L CB 0.964 43.105 42.059 0.138 0.000 1.183 384 L HN 0.567 nan 8.230 nan 0.000 0.492 385 V N 4.105 124.148 119.914 0.216 0.000 2.953 385 V HA -0.143 3.977 4.120 -0.000 0.000 0.304 385 V C 0.719 176.967 176.094 0.257 0.000 1.138 385 V CA 0.299 62.785 62.300 0.310 0.000 1.266 385 V CB 0.452 32.498 31.823 0.371 0.000 0.923 385 V HN 0.996 nan 8.190 nan 0.000 0.505 386 N N 3.770 122.624 118.700 0.257 0.000 3.229 386 N HA 0.138 4.878 4.740 -0.000 0.000 0.275 386 N C 1.025 176.706 175.510 0.284 0.000 1.225 386 N CA 0.189 53.328 53.050 0.148 0.000 1.119 386 N CB 0.654 39.107 38.487 -0.056 0.000 1.392 386 N HN 0.942 nan 8.380 nan 0.000 0.520 387 T N 2.122 116.869 114.554 0.323 0.000 2.564 387 T HA -0.288 4.062 4.350 -0.000 0.000 0.264 387 T C 1.342 176.285 174.700 0.405 0.000 1.100 387 T CA 2.014 64.356 62.100 0.404 0.000 1.171 387 T CB -0.451 68.507 68.868 0.150 0.000 0.863 387 T HN 0.642 nan 8.240 nan 0.000 0.430 388 N N 0.948 119.771 118.700 0.204 0.000 2.242 388 N HA -0.183 4.557 4.740 -0.000 0.000 0.193 388 N C 1.276 176.891 175.510 0.175 0.000 1.000 388 N CA 0.847 53.999 53.050 0.170 0.000 0.885 388 N CB -0.269 38.271 38.487 0.087 0.000 0.988 388 N HN 0.272 nan 8.380 nan 0.000 0.444 389 N N -0.183 118.571 118.700 0.090 0.000 2.466 389 N HA -0.067 4.673 4.740 -0.000 0.000 0.211 389 N C -0.462 174.920 175.510 -0.214 0.000 1.256 389 N CA 0.453 53.465 53.050 -0.062 0.000 0.840 389 N CB -0.096 38.325 38.487 -0.111 0.000 1.079 389 N HN 0.330 nan 8.380 nan 0.000 0.466 390 Y N -1.665 118.817 120.300 0.304 0.000 2.610 390 Y HA 0.265 4.815 4.550 -0.000 0.000 0.254 390 Y C 1.294 177.390 175.900 0.327 0.000 1.110 390 Y CA -0.660 57.631 58.100 0.318 0.000 1.238 390 Y CB 0.543 39.336 38.460 0.556 0.000 1.322 390 Y HN -0.007 nan 8.280 nan 0.000 0.547 391 D N 1.067 121.735 120.400 0.446 0.000 2.178 391 D HA -0.169 4.471 4.640 -0.000 0.000 0.201 391 D C 1.693 178.109 176.300 0.195 0.000 0.980 391 D CA 1.625 55.813 54.000 0.313 0.000 0.842 391 D CB 0.018 40.957 40.800 0.232 0.000 0.948 391 D HN 0.626 nan 8.370 nan 0.000 0.472 392 E N 0.405 120.683 120.200 0.129 0.000 2.427 392 E HA -0.050 4.300 4.350 -0.000 0.000 0.196 392 E C 2.233 178.835 176.600 0.003 0.000 1.028 392 E CA 0.158 56.596 56.400 0.063 0.000 0.864 392 E CB -0.262 29.464 29.700 0.044 0.000 0.813 392 E HN 0.392 nan 8.360 nan 0.000 0.514 393 I N -0.234 120.295 120.570 -0.067 0.000 2.716 393 I HA 0.047 4.217 4.170 -0.000 0.000 0.259 393 I C -0.053 175.808 176.117 -0.427 0.000 1.172 393 I CA 0.218 61.337 61.300 -0.302 0.000 1.478 393 I CB 0.189 37.898 38.000 -0.485 0.000 1.104 393 I HN -0.175 nan 8.210 nan 0.000 0.439 394 F N 1.093 120.995 119.950 -0.080 0.000 2.408 394 F HA 0.378 4.905 4.527 -0.000 0.000 0.325 394 F C 1.476 177.240 175.800 -0.060 0.000 1.082 394 F CA -0.612 57.335 58.000 -0.088 0.000 1.032 394 F CB 0.678 39.589 39.000 -0.149 0.000 1.259 394 F HN -0.084 nan 8.300 nan 0.000 0.503 395 Q N 0.423 120.316 119.800 0.155 0.000 1.775 395 Q HA 0.025 4.364 4.340 -0.000 0.000 0.303 395 Q C 0.376 176.416 176.000 0.066 0.000 0.954 395 Q CA 0.993 56.841 55.803 0.075 0.000 0.883 395 Q CB -0.205 28.567 28.738 0.056 0.000 0.916 395 Q HN 0.652 nan 8.270 nan 0.000 0.427 396 S N 0.095 115.826 115.700 0.052 0.000 2.568 396 S HA 0.651 5.121 4.470 -0.000 0.000 0.302 396 S C -0.703 173.900 174.600 0.005 0.000 1.082 396 S CA -0.839 57.377 58.200 0.028 0.000 1.009 396 S CB 1.302 64.516 63.200 0.022 0.000 1.069 396 S HN 0.377 nan 8.310 nan 0.000 0.500 397 M N 3.008 122.596 119.600 -0.020 0.000 2.298 397 M HA 0.320 4.799 4.480 -0.000 0.000 0.255 397 M C -1.216 175.056 176.300 -0.047 0.000 1.021 397 M CA -0.418 54.841 55.300 -0.068 0.000 0.968 397 M CB 1.282 33.776 32.600 -0.176 0.000 2.037 397 M HN 0.821 nan 8.290 nan 0.000 0.478 398 Q N 2.949 122.734 119.800 -0.025 0.000 2.171 398 Q HA 0.408 4.747 4.340 -0.000 0.000 0.218 398 Q C -0.294 175.718 176.000 0.019 0.000 0.822 398 Q CA -0.333 55.477 55.803 0.011 0.000 0.987 398 Q CB 1.171 29.925 28.738 0.027 0.000 1.144 398 Q HN 0.878 nan 8.270 nan 0.000 0.494 399 L N 1.585 122.787 121.223 -0.035 0.000 3.209 399 L HA 0.522 4.862 4.340 -0.000 0.000 0.279 399 L C 0.280 177.045 176.870 -0.176 0.000 1.301 399 L CA -0.014 54.796 54.840 -0.050 0.000 1.004 399 L CB 0.325 42.367 42.059 -0.028 0.000 1.402 399 L HN 0.429 nan 8.230 nan 0.000 0.577 400 A N 0.030 122.713 122.820 -0.229 0.000 5.695 400 A HA -0.378 3.942 4.320 -0.000 0.000 0.297 400 A C 0.974 178.288 177.584 -0.451 0.000 1.947 400 A CA 1.728 53.493 52.037 -0.453 0.000 0.717 400 A CB -0.836 17.705 19.000 -0.765 0.000 1.252 400 A HN 0.583 nan 8.150 nan 0.000 0.378 401 H N -1.484 117.155 119.070 -0.718 0.000 2.451 401 H HA 0.266 4.822 4.556 -0.000 0.000 0.294 401 H C 0.693 175.752 175.328 -0.448 0.000 1.028 401 H CA 1.772 57.281 56.048 -0.898 0.000 1.349 401 H CB 0.223 29.751 29.762 -0.391 0.000 1.444 401 H HN 0.760 nan 8.280 nan 0.000 0.538 402 W N 1.094 122.298 121.300 -0.160 0.000 3.256 402 W HA 0.394 5.054 4.660 -0.000 0.000 0.324 402 W C -1.666 174.855 176.519 0.004 0.000 1.196 402 W CA -1.160 56.153 57.345 -0.053 0.000 1.206 402 W CB 0.651 30.090 29.460 -0.034 0.000 1.385 402 W HN 0.164 nan 8.180 nan 0.000 0.522 403 N N 2.314 121.193 118.700 0.298 0.000 2.240 403 N HA 0.791 5.530 4.740 -0.000 0.000 0.302 403 N C -1.667 174.106 175.510 0.439 0.000 1.106 403 N CA -0.870 52.306 53.050 0.211 0.000 0.778 403 N CB 3.106 41.663 38.487 0.116 0.000 1.431 403 N HN 0.557 nan 8.380 nan 0.000 0.479 404 M N 0.692 120.537 119.600 0.410 0.000 2.446 404 M HA 0.370 4.850 4.480 -0.000 0.000 0.294 404 M C -2.014 174.407 176.300 0.203 0.000 1.158 404 M CA -0.381 55.157 55.300 0.397 0.000 0.899 404 M CB 2.234 35.179 32.600 0.574 0.000 1.687 404 M HN 0.640 nan 8.290 nan 0.000 0.455 405 Q N 2.205 122.048 119.800 0.071 0.000 2.394 405 Q HA 0.513 4.853 4.340 -0.000 0.000 0.261 405 Q C -0.870 174.971 176.000 -0.265 0.000 1.023 405 Q CA -0.532 55.149 55.803 -0.204 0.000 0.720 405 Q CB 1.883 30.529 28.738 -0.154 0.000 1.241 405 Q HN 0.623 nan 8.270 nan 0.000 0.483 406 T N -0.371 113.994 114.554 -0.315 0.000 2.900 406 T HA 0.676 5.026 4.350 -0.000 0.000 0.295 406 T C -1.220 173.241 174.700 -0.397 0.000 1.044 406 T CA -0.944 60.917 62.100 -0.398 0.000 0.995 406 T CB 1.277 69.879 68.868 -0.442 0.000 1.072 406 T HN 0.427 nan 8.240 nan 0.000 0.473 407 K N 3.403 123.557 120.400 -0.410 0.000 2.334 407 K HA 0.476 4.796 4.320 -0.000 0.000 0.265 407 K C -1.404 174.984 176.600 -0.353 0.000 1.039 407 K CA -0.666 55.439 56.287 -0.303 0.000 0.920 407 K CB 0.004 32.371 32.500 -0.221 0.000 1.160 407 K HN 0.484 nan 8.250 nan 0.000 0.451 408 F N 3.980 123.738 119.950 -0.319 0.000 2.464 408 F HA 0.191 4.718 4.527 -0.000 0.000 0.353 408 F C 0.265 175.905 175.800 -0.267 0.000 1.191 408 F CA -0.361 57.446 58.000 -0.321 0.000 1.147 408 F CB 0.331 38.984 39.000 -0.579 0.000 1.294 408 F HN 0.474 nan 8.300 nan 0.000 0.583 409 N N 6.281 124.961 118.700 -0.033 0.000 2.448 409 N HA 0.235 4.974 4.740 -0.000 0.000 0.250 409 N C -0.132 175.352 175.510 -0.043 0.000 1.136 409 N CA 0.155 53.178 53.050 -0.046 0.000 0.953 409 N CB 0.991 39.434 38.487 -0.074 0.000 1.251 409 N HN 0.446 nan 8.380 nan 0.000 0.502 410 I N 1.085 121.627 120.570 -0.047 0.000 2.707 410 I HA 0.300 4.470 4.170 -0.000 0.000 0.309 410 I C 0.321 176.338 176.117 -0.167 0.000 1.001 410 I CA -0.678 60.527 61.300 -0.158 0.000 1.129 410 I CB 1.609 39.537 38.000 -0.120 0.000 1.308 410 I HN 0.296 nan 8.210 nan 0.000 0.466 411 N N 3.174 121.717 118.700 -0.261 0.000 2.549 411 N HA 0.394 5.134 4.740 -0.000 0.000 0.290 411 N C -1.765 173.600 175.510 -0.242 0.000 1.122 411 N CA -0.295 52.615 53.050 -0.233 0.000 0.885 411 N CB 2.200 40.571 38.487 -0.194 0.000 1.455 411 N HN 0.175 nan 8.380 nan 0.000 0.521 412 V N 3.435 123.231 119.914 -0.196 0.000 2.495 412 V HA 0.425 4.545 4.120 -0.000 0.000 0.298 412 V C -1.024 174.983 176.094 -0.144 0.000 1.031 412 V CA -0.500 61.754 62.300 -0.077 0.000 0.871 412 V CB 1.167 32.999 31.823 0.015 0.000 0.988 412 V HN 0.520 nan 8.190 nan 0.000 0.432 413 Y N 4.420 124.770 120.300 0.084 0.000 2.369 413 Y HA 0.683 5.233 4.550 -0.000 0.000 0.337 413 Y C 0.404 176.349 175.900 0.075 0.000 0.961 413 Y CA -0.190 57.971 58.100 0.100 0.000 1.186 413 Y CB 1.521 40.027 38.460 0.078 0.000 1.139 413 Y HN 0.620 nan 8.280 nan 0.000 0.494 414 R N 0.091 120.709 120.500 0.196 0.000 3.307 414 R HA 0.507 4.847 4.340 -0.000 0.000 0.227 414 R C -0.914 175.502 176.300 0.193 0.000 1.645 414 R CA -0.747 55.421 56.100 0.114 0.000 1.015 414 R CB 0.859 31.052 30.300 -0.178 0.000 1.832 414 R HN 0.637 nan 8.270 nan 0.000 0.533 415 H N -0.357 118.765 119.070 0.086 0.000 2.901 415 H HA 0.323 4.879 4.556 -0.000 0.000 0.227 415 H C -0.682 174.710 175.328 0.107 0.000 1.390 415 H CA -0.250 55.860 56.048 0.104 0.000 1.120 415 H CB 0.473 30.282 29.762 0.078 0.000 2.131 415 H HN 0.125 nan 8.280 nan 0.000 0.549 416 M N 1.034 120.765 119.600 0.219 0.000 2.226 416 M HA 0.123 4.603 4.480 -0.000 0.000 0.324 416 M C -0.868 175.533 176.300 0.168 0.000 1.112 416 M CA -1.523 53.905 55.300 0.214 0.000 1.176 416 M CB 0.341 33.168 32.600 0.379 0.000 1.430 416 M HN 0.264 nan 8.290 nan 0.000 0.462 417 P HA 0.013 nan 4.420 nan 0.000 0.198 417 P C 0.028 177.377 177.300 0.081 0.000 1.043 417 P CA 0.824 63.983 63.100 0.098 0.000 0.892 417 P CB 0.119 31.870 31.700 0.085 0.000 0.701 418 T N -4.927 109.669 114.554 0.070 0.000 2.868 418 T HA 0.089 4.439 4.350 -0.000 0.000 0.321 418 T C 0.551 175.269 174.700 0.030 0.000 1.853 418 T CA -0.001 62.120 62.100 0.036 0.000 1.020 418 T CB -0.496 68.386 68.868 0.024 0.000 1.902 418 T HN 0.014 nan 8.240 nan 0.000 0.528 419 T N 1.538 116.099 114.554 0.011 0.000 2.904 419 T HA 0.026 4.376 4.350 -0.000 0.000 0.267 419 T C 1.844 176.553 174.700 0.014 0.000 1.059 419 T CA 0.960 63.068 62.100 0.013 0.000 1.137 419 T CB -0.089 68.779 68.868 -0.001 0.000 0.879 419 T HN 0.392 nan 8.240 nan 0.000 0.467 420 R N 0.702 121.209 120.500 0.011 0.000 2.173 420 R HA 0.045 4.385 4.340 -0.000 0.000 0.208 420 R C 1.053 177.363 176.300 0.015 0.000 1.035 420 R CA 0.842 56.948 56.100 0.011 0.000 1.004 420 R CB -0.057 30.247 30.300 0.007 0.000 0.917 420 R HN 0.286 nan 8.270 nan 0.000 0.462 421 D N -0.717 119.695 120.400 0.020 0.000 2.355 421 D HA 0.048 4.688 4.640 -0.000 0.000 0.218 421 D C 1.157 177.474 176.300 0.027 0.000 1.004 421 D CA 0.505 54.520 54.000 0.023 0.000 0.880 421 D CB 0.505 41.322 40.800 0.028 0.000 0.911 421 D HN 0.005 nan 8.370 nan 0.000 0.528 422 S N -0.377 115.340 115.700 0.029 0.000 2.475 422 S HA 0.052 4.522 4.470 -0.000 0.000 0.224 422 S C 1.577 176.192 174.600 0.025 0.000 1.042 422 S CA -0.057 58.162 58.200 0.031 0.000 0.935 422 S CB 0.386 63.609 63.200 0.039 0.000 0.801 422 S HN 0.375 nan 8.310 nan 0.000 0.509 423 I N -1.819 118.763 120.570 0.021 0.000 3.875 423 I HA 0.337 4.507 4.170 -0.000 0.000 0.329 423 I C -0.335 175.790 176.117 0.014 0.000 1.295 423 I CA 0.369 61.679 61.300 0.017 0.000 1.129 423 I CB -0.566 37.444 38.000 0.015 0.000 1.008 423 I HN 0.135 nan 8.210 nan 0.000 0.413 424 M N 1.649 121.258 119.600 0.015 0.000 2.741 424 M HA 0.303 4.783 4.480 -0.000 0.000 0.283 424 M C 1.255 177.562 176.300 0.013 0.000 1.176 424 M CA -0.402 54.906 55.300 0.013 0.000 1.139 424 M CB -0.036 32.572 32.600 0.013 0.000 1.234 424 M HN 0.006 nan 8.290 nan 0.000 0.497 425 T N 1.165 115.726 114.554 0.012 0.000 2.718 425 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 425 T C 0.844 175.551 174.700 0.011 0.000 1.033 425 T CA 1.629 63.736 62.100 0.011 0.000 1.151 425 T CB -0.022 68.852 68.868 0.009 0.000 0.853 425 T HN 0.848 nan 8.240 nan 0.000 0.466 426 S N 0.000 115.706 115.700 0.010 0.000 2.498 426 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 426 S CA 0.000 58.206 58.200 0.010 0.000 1.107 426 S CB 0.000 63.207 63.200 0.011 0.000 0.593 426 S HN 0.000 nan 8.310 nan 0.000 0.517