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 1vt4_1_M DATA FIRST_RESID 1 DATA SEQUENCE MDFETGEHQY QYKDILSVFE DAFVDNFDCK DVQDMPKSIL SKEEIDHIIM DATA SEQUENCE SKDAVSGTLR LFWTLLSKQE EMVQKFVEEV LRINYKFLMS PIKTEQRQPS DATA SEQUENCE MMTRMYIEQR DRLYNDNQVF AKYNVSRLQP YLKLRQALLE LRPAKNVLID DATA SEQUENCE GVLGSGKTWV ALDVCLSYKV QCKMDFKIFW LNLKNCNSPE TVLEMLQKLL DATA SEQUENCE YQIDPNWTSR SDHSSNIKLR IHSIQAELRR LLKSKPYENC LLVLLNVQNA DATA SEQUENCE KAWNAFNLSC KILLTTRFKQ VTDFLSAATT THISLDHHSM TLTPDEVKSL DATA SEQUENCE LLKYLDCRPQ DLPREVLTTN PRRLSIIAES IRDGLATWDN WKHVNCDKLT DATA SEQUENCE TIIESSLNVL EPAEYRKMFD RLSVFPPSAH IPTILLSLIW FDVIKSDVMV DATA SEQUENCE VVNKLHKYSL VEKQPKESTI SIPSIYLELK VKLENEYALH RSIVDHYNIP DATA SEQUENCE KTFDSDDLIP PYLDQYFYSH IGHHLKNIEH PERMTLFRMV FLDFRFLEQK DATA SEQUENCE IRHDSTAWNA SGSILNTLQQ LKFYKPYICD NDPKYERLVN AILDFLPKIE DATA SEQUENCE ENLICSKYTD LLRIALMAED EAIFEEAHKQ VQRXXX???? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????X XXXXXXXXXX XXXXXXXX?? DATA SEQUENCE ?????????? ?????????X XXXXXXXXXX XX???????? ???????XXX DATA SEQUENCE XXXXXXX??? ?????????? ?????????? ?????????? ???XXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ????XXXXXX XXXXXXXXXX XXXXXXXXXX XXXXX????? DATA SEQUENCE XXXXXX???? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?XXXXXXX?? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????X XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXX?????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????? VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.166 176.300 -0.223 0.000 1.140 1 M CA 0.000 55.204 55.300 -0.160 0.000 0.988 1 M CB 0.000 32.538 32.600 -0.103 0.000 1.302 2 D N -0.216 120.087 120.400 -0.162 0.000 2.363 2 D HA 0.373 5.014 4.640 0.002 0.000 0.240 2 D C 0.654 176.831 176.300 -0.206 0.000 1.236 2 D CA 0.235 54.126 54.000 -0.182 0.000 0.927 2 D CB 0.586 41.343 40.800 -0.071 0.000 1.150 2 D HN 0.355 nan 8.370 nan 0.000 0.458 3 F N 0.079 119.996 119.950 -0.055 0.000 2.102 3 F HA -0.100 4.428 4.527 0.002 0.000 0.298 3 F C 2.419 178.195 175.800 -0.039 0.000 1.105 3 F CA 1.041 59.015 58.000 -0.043 0.000 1.239 3 F CB -0.220 38.753 39.000 -0.046 0.000 0.991 3 F HN 0.404 nan 8.300 nan 0.000 0.474 4 E N -0.150 120.106 120.200 0.092 0.000 2.110 4 E HA -0.134 4.217 4.350 0.002 0.000 0.193 4 E C 2.257 178.777 176.600 -0.133 0.000 0.988 4 E CA 1.619 57.960 56.400 -0.099 0.000 0.804 4 E CB -0.744 28.826 29.700 -0.216 0.000 0.745 4 E HN 0.345 nan 8.360 nan 0.000 0.458 5 T N 0.091 114.611 114.554 -0.056 0.000 2.674 5 T HA -0.128 4.223 4.350 0.002 0.000 0.265 5 T C 1.864 176.616 174.700 0.087 0.000 1.039 5 T CA 1.547 63.644 62.100 -0.005 0.000 1.150 5 T CB -0.554 68.303 68.868 -0.018 0.000 0.864 5 T HN 0.361 nan 8.240 nan 0.000 0.427 6 G N 1.080 109.926 108.800 0.076 0.000 2.402 6 G HA2 -0.164 3.797 3.960 0.002 0.000 0.216 6 G HA3 -0.164 3.797 3.960 0.002 0.000 0.216 6 G C 1.458 176.537 174.900 0.299 0.000 1.162 6 G CA 0.670 45.870 45.100 0.166 0.000 0.777 6 G HN 0.522 nan 8.290 nan 0.000 0.539 7 E N -0.224 120.140 120.200 0.273 0.000 2.051 7 E HA -0.121 4.230 4.350 0.002 0.000 0.192 7 E C 2.160 179.046 176.600 0.476 0.000 0.991 7 E CA 0.981 57.624 56.400 0.406 0.000 0.799 7 E CB -0.271 29.620 29.700 0.319 0.000 0.748 7 E HN 0.653 nan 8.360 nan 0.000 0.449 8 H N 0.252 119.445 119.070 0.206 0.000 2.389 8 H HA -0.052 4.505 4.556 0.002 0.000 0.299 8 H C 2.250 177.673 175.328 0.158 0.000 1.081 8 H CA 0.742 56.875 56.048 0.142 0.000 1.345 8 H CB 0.214 30.007 29.762 0.051 0.000 1.393 8 H HN 0.184 nan 8.280 nan 0.000 0.520 9 Q N 0.098 120.101 119.800 0.337 0.000 2.084 9 Q HA -0.201 4.141 4.340 0.002 0.000 0.202 9 Q C 2.066 178.133 176.000 0.111 0.000 0.978 9 Q CA 1.482 57.474 55.803 0.314 0.000 0.844 9 Q CB -0.195 28.848 28.738 0.508 0.000 0.898 9 Q HN 0.517 nan 8.270 nan 0.000 0.426 10 Y N 1.743 122.081 120.300 0.063 0.000 2.165 10 Y HA -0.244 4.307 4.550 0.002 0.000 0.286 10 Y C 1.923 177.698 175.900 -0.208 0.000 1.155 10 Y CA 1.803 59.835 58.100 -0.113 0.000 1.164 10 Y CB -0.182 38.319 38.460 0.067 0.000 0.978 10 Y HN 0.082 nan 8.280 nan 0.000 0.513 11 Q N -1.724 117.842 119.800 -0.389 0.000 2.083 11 Q HA -0.204 4.137 4.340 0.002 0.000 0.198 11 Q C 1.897 177.732 176.000 -0.274 0.000 0.969 11 Q CA 1.491 56.989 55.803 -0.507 0.000 0.838 11 Q CB -0.523 28.184 28.738 -0.053 0.000 0.900 11 Q HN 0.575 nan 8.270 nan 0.000 0.436 12 Y N 1.928 122.097 120.300 -0.219 0.000 2.639 12 Y HA -0.143 4.408 4.550 0.002 0.000 0.297 12 Y C 2.037 177.850 175.900 -0.146 0.000 1.151 12 Y CA 0.727 58.752 58.100 -0.126 0.000 1.335 12 Y CB 0.005 38.445 38.460 -0.034 0.000 0.994 12 Y HN -0.060 nan 8.280 nan 0.000 0.548 13 K N 0.745 120.967 120.400 -0.297 0.000 2.001 13 K HA -0.240 4.081 4.320 0.002 0.000 0.214 13 K C 2.015 178.448 176.600 -0.279 0.000 1.050 13 K CA 2.225 58.292 56.287 -0.367 0.000 0.934 13 K CB -0.732 31.474 32.500 -0.490 0.000 0.718 13 K HN 0.255 nan 8.250 nan 0.000 0.443 14 D N 0.120 120.363 120.400 -0.262 0.000 2.123 14 D HA -0.177 4.464 4.640 0.002 0.000 0.196 14 D C 1.852 178.071 176.300 -0.136 0.000 0.992 14 D CA 1.159 55.058 54.000 -0.169 0.000 0.833 14 D CB -0.213 40.500 40.800 -0.145 0.000 0.954 14 D HN 0.342 nan 8.370 nan 0.000 0.455 15 I N 0.389 120.824 120.570 -0.224 0.000 2.226 15 I HA -0.229 3.942 4.170 0.002 0.000 0.245 15 I C 1.778 177.824 176.117 -0.120 0.000 1.100 15 I CA 0.975 62.158 61.300 -0.195 0.000 1.374 15 I CB -0.587 37.209 38.000 -0.339 0.000 1.057 15 I HN 0.014 nan 8.210 nan 0.000 0.413 16 L N 1.306 122.382 121.223 -0.245 0.000 2.017 16 L HA -0.164 4.177 4.340 0.002 0.000 0.208 16 L C 3.070 180.046 176.870 0.177 0.000 1.073 16 L CA 2.126 56.982 54.840 0.026 0.000 0.745 16 L CB -2.059 40.048 42.059 0.080 0.000 0.894 16 L HN 0.417 nan 8.230 nan 0.000 0.432 17 S N 0.408 116.155 115.700 0.078 0.000 2.353 17 S HA -0.170 4.301 4.470 0.002 0.000 0.222 17 S C 2.038 176.724 174.600 0.144 0.000 1.035 17 S CA 1.801 60.067 58.200 0.111 0.000 1.025 17 S CB -1.325 61.900 63.200 0.042 0.000 0.902 17 S HN 0.306 nan 8.310 nan 0.000 0.440 18 V N -1.331 118.642 119.914 0.098 0.000 2.358 18 V HA -0.002 4.119 4.120 0.002 0.000 0.246 18 V C 2.154 178.332 176.094 0.140 0.000 1.047 18 V CA 1.607 63.954 62.300 0.078 0.000 1.035 18 V CB -1.513 30.317 31.823 0.012 0.000 0.658 18 V HN 0.347 nan 8.190 nan 0.000 0.452 19 F N 2.196 122.220 119.950 0.123 0.000 2.051 19 F HA -0.060 4.468 4.527 0.002 0.000 0.296 19 F C 2.361 178.366 175.800 0.342 0.000 1.122 19 F CA 2.494 60.600 58.000 0.178 0.000 1.201 19 F CB -0.330 38.790 39.000 0.199 0.000 0.978 19 F HN 0.181 nan 8.300 nan 0.000 0.472 20 E N 0.093 120.826 120.200 0.890 0.000 2.150 20 E HA -0.136 4.215 4.350 0.002 0.000 0.193 20 E C 0.459 177.458 176.600 0.666 0.000 0.985 20 E CA 0.789 57.842 56.400 1.088 0.000 0.814 20 E CB -0.689 29.673 29.700 1.104 0.000 0.752 20 E HN 0.246 nan 8.360 nan 0.000 0.466 21 D N -0.444 120.175 120.400 0.364 0.000 3.277 21 D HA -0.201 4.440 4.640 0.002 0.000 0.203 21 D C 0.868 177.270 176.300 0.171 0.000 1.057 21 D CA 1.215 55.325 54.000 0.184 0.000 0.751 21 D CB 0.100 40.965 40.800 0.109 0.000 1.155 21 D HN 0.269 nan 8.370 nan 0.000 0.536 22 A N 3.022 125.897 122.820 0.092 0.000 3.746 22 A HA -0.354 3.967 4.320 0.002 0.000 0.242 22 A C 1.525 179.181 177.584 0.119 0.000 0.736 22 A CA 1.623 53.706 52.037 0.076 0.000 1.370 22 A CB -2.295 16.758 19.000 0.088 0.000 1.130 22 A HN 0.726 nan 8.150 nan 0.000 0.696 23 F N 0.278 120.294 119.950 0.110 0.000 2.317 23 F HA 0.278 4.806 4.527 0.002 0.000 0.293 23 F C 2.055 177.941 175.800 0.143 0.000 1.085 23 F CA 1.899 60.003 58.000 0.174 0.000 1.390 23 F CB -0.078 39.108 39.000 0.309 0.000 1.077 23 F HN 0.358 nan 8.300 nan 0.000 0.517 24 V N 0.974 120.807 119.914 -0.136 0.000 2.343 24 V HA -0.247 3.874 4.120 0.002 0.000 0.247 24 V C 1.891 177.306 176.094 -1.131 0.000 1.051 24 V CA 2.764 64.697 62.300 -0.613 0.000 1.036 24 V CB -0.562 31.212 31.823 -0.080 0.000 0.654 24 V HN 0.344 nan 8.190 nan 0.000 0.451 25 D N 0.331 120.416 120.400 -0.525 0.000 2.097 25 D HA -0.144 4.497 4.640 0.002 0.000 0.195 25 D C 2.003 178.033 176.300 -0.450 0.000 0.989 25 D CA 1.575 55.324 54.000 -0.417 0.000 0.827 25 D CB -0.498 40.181 40.800 -0.202 0.000 0.966 25 D HN 0.477 nan 8.370 nan 0.000 0.456 26 N N 0.731 119.195 118.700 -0.394 0.000 2.120 26 N HA -0.121 4.620 4.740 0.002 0.000 0.188 26 N C 1.880 177.193 175.510 -0.329 0.000 1.024 26 N CA 0.679 53.569 53.050 -0.268 0.000 0.852 26 N CB -0.571 37.841 38.487 -0.124 0.000 1.003 26 N HN 0.353 nan 8.380 nan 0.000 0.424 27 F N 1.112 120.709 119.950 -0.588 0.000 2.186 27 F HA 0.072 4.600 4.527 0.002 0.000 0.299 27 F C 1.694 177.344 175.800 -0.250 0.000 1.090 27 F CA 0.788 58.490 58.000 -0.498 0.000 1.307 27 F CB -0.795 37.742 39.000 -0.771 0.000 1.019 27 F HN -0.196 nan 8.300 nan 0.000 0.489 28 D N 0.548 120.537 120.400 -0.686 0.000 2.123 28 D HA -0.221 4.420 4.640 0.002 0.000 0.196 28 D C 2.516 178.750 176.300 -0.111 0.000 0.992 28 D CA 1.717 55.542 54.000 -0.292 0.000 0.833 28 D CB -0.797 39.787 40.800 -0.359 0.000 0.954 28 D HN 0.491 nan 8.370 nan 0.000 0.455 29 C N 1.303 120.514 119.300 -0.149 0.000 2.429 29 C HA -0.125 4.336 4.460 0.002 0.000 0.277 29 C C 2.393 177.368 174.990 -0.024 0.000 1.262 29 C CA 0.978 59.953 59.018 -0.073 0.000 1.733 29 C CB -0.761 26.934 27.740 -0.074 0.000 2.010 29 C HN 0.281 nan 8.230 nan 0.000 0.483 30 K N 0.304 120.698 120.400 -0.011 0.000 2.148 30 K HA -0.114 4.207 4.320 0.002 0.000 0.204 30 K C 1.471 178.099 176.600 0.045 0.000 1.050 30 K CA 1.747 58.050 56.287 0.026 0.000 0.942 30 K CB -0.324 32.209 32.500 0.054 0.000 0.724 30 K HN 0.419 nan 8.250 nan 0.000 0.446 31 D N 0.723 121.164 120.400 0.070 0.000 2.309 31 D HA -0.117 4.524 4.640 0.002 0.000 0.212 31 D C 1.767 178.113 176.300 0.077 0.000 0.968 31 D CA 0.781 54.847 54.000 0.111 0.000 0.882 31 D CB -0.090 40.837 40.800 0.212 0.000 0.918 31 D HN 0.134 nan 8.370 nan 0.000 0.503 32 V N -0.748 119.195 119.914 0.049 0.000 2.546 32 V HA -0.296 3.825 4.120 0.002 0.000 0.254 32 V C 2.198 178.316 176.094 0.040 0.000 1.076 32 V CA 1.618 63.944 62.300 0.043 0.000 1.087 32 V CB -0.775 31.065 31.823 0.028 0.000 0.674 32 V HN 0.039 nan 8.190 nan 0.000 0.470 33 Q N 1.336 121.157 119.800 0.035 0.000 2.083 33 Q HA -0.132 4.210 4.340 0.002 0.000 0.198 33 Q C 1.768 177.787 176.000 0.032 0.000 0.969 33 Q CA 2.137 57.957 55.803 0.028 0.000 0.838 33 Q CB -0.480 28.271 28.738 0.021 0.000 0.900 33 Q HN 0.767 nan 8.270 nan 0.000 0.436 34 D N 0.215 120.638 120.400 0.038 0.000 2.120 34 D HA -0.249 4.392 4.640 0.002 0.000 0.191 34 D C 1.796 178.131 176.300 0.058 0.000 0.994 34 D CA 1.662 55.686 54.000 0.039 0.000 0.838 34 D CB -0.578 40.245 40.800 0.039 0.000 0.976 34 D HN 0.302 nan 8.370 nan 0.000 0.447 35 M N 0.017 119.667 119.600 0.084 0.000 2.331 35 M HA -0.129 4.353 4.480 0.002 0.000 0.260 35 M C -1.234 175.101 176.300 0.058 0.000 1.072 35 M CA 1.333 56.687 55.300 0.090 0.000 1.065 35 M CB -0.527 32.135 32.600 0.104 0.000 1.392 35 M HN -0.024 nan 8.290 nan 0.000 0.427 36 P HA -0.009 nan 4.420 nan 0.000 0.255 36 P C -0.390 176.923 177.300 0.021 0.000 1.357 36 P CA 0.579 63.697 63.100 0.030 0.000 0.839 36 P CB -0.121 31.595 31.700 0.027 0.000 1.356 37 K N -1.023 119.391 120.400 0.023 0.000 2.433 37 K HA 0.255 4.576 4.320 0.002 0.000 0.252 37 K C 0.500 177.108 176.600 0.013 0.000 1.015 37 K CA -0.764 55.531 56.287 0.014 0.000 0.860 37 K CB 0.877 33.385 32.500 0.012 0.000 1.359 37 K HN -0.340 nan 8.250 nan 0.000 0.452 38 S N 0.909 116.611 115.700 0.004 0.000 2.916 38 S HA -0.135 4.336 4.470 0.002 0.000 0.253 38 S C 0.806 175.411 174.600 0.008 0.000 0.892 38 S CA 0.830 59.029 58.200 -0.002 0.000 1.109 38 S CB -0.733 62.464 63.200 -0.005 0.000 0.761 38 S HN 0.471 nan 8.310 nan 0.000 0.486 39 I N -0.988 119.595 120.570 0.020 0.000 3.990 39 I HA 0.525 4.696 4.170 0.002 0.000 0.275 39 I C -0.461 175.672 176.117 0.027 0.000 1.157 39 I CA 0.243 61.570 61.300 0.046 0.000 1.338 39 I CB 0.334 38.394 38.000 0.101 0.000 1.588 39 I HN 0.300 nan 8.210 nan 0.000 0.441 40 L N 0.531 121.774 121.223 0.033 0.000 2.676 40 L HA 0.290 4.631 4.340 0.002 0.000 0.262 40 L C 0.197 177.084 176.870 0.028 0.000 0.965 40 L CA -0.182 54.674 54.840 0.027 0.000 0.920 40 L CB 1.311 43.408 42.059 0.063 0.000 1.260 40 L HN 0.226 nan 8.230 nan 0.000 0.422 41 S N 2.654 118.359 115.700 0.009 0.000 2.527 41 S HA -0.086 4.385 4.470 0.002 0.000 0.274 41 S C 1.283 175.900 174.600 0.029 0.000 1.349 41 S CA 0.602 58.809 58.200 0.012 0.000 1.011 41 S CB 0.501 63.701 63.200 0.000 0.000 0.837 41 S HN 0.722 nan 8.310 nan 0.000 0.524 42 K N 0.960 121.375 120.400 0.024 0.000 2.074 42 K HA -0.142 4.179 4.320 0.002 0.000 0.209 42 K C 2.262 178.887 176.600 0.041 0.000 1.048 42 K CA 1.818 58.123 56.287 0.030 0.000 0.926 42 K CB -0.215 32.297 32.500 0.021 0.000 0.713 42 K HN 0.620 nan 8.250 nan 0.000 0.444 43 E N 0.925 121.149 120.200 0.041 0.000 2.110 43 E HA -0.184 4.167 4.350 0.002 0.000 0.193 43 E C 1.870 178.530 176.600 0.099 0.000 0.988 43 E CA 1.183 57.618 56.400 0.059 0.000 0.804 43 E CB -0.057 29.672 29.700 0.048 0.000 0.745 43 E HN 0.426 nan 8.360 nan 0.000 0.458 44 E N 0.653 120.904 120.200 0.085 0.000 2.150 44 E HA -0.114 4.237 4.350 0.002 0.000 0.193 44 E C 2.220 178.913 176.600 0.155 0.000 0.985 44 E CA 0.424 56.895 56.400 0.119 0.000 0.814 44 E CB -0.123 29.611 29.700 0.057 0.000 0.752 44 E HN 0.214 nan 8.360 nan 0.000 0.466 45 I N 1.327 121.961 120.570 0.106 0.000 2.252 45 I HA -0.244 3.927 4.170 0.002 0.000 0.245 45 I C 1.466 177.638 176.117 0.091 0.000 1.102 45 I CA 1.316 62.675 61.300 0.099 0.000 1.385 45 I CB 0.106 38.149 38.000 0.073 0.000 1.064 45 I HN -0.033 nan 8.210 nan 0.000 0.414 46 D N -0.048 120.401 120.400 0.081 0.000 2.178 46 D HA -0.253 4.388 4.640 0.002 0.000 0.201 46 D C 1.951 178.292 176.300 0.068 0.000 0.980 46 D CA 1.092 55.125 54.000 0.055 0.000 0.842 46 D CB -0.431 40.396 40.800 0.045 0.000 0.948 46 D HN 0.527 nan 8.370 nan 0.000 0.472 47 H N 0.629 119.718 119.070 0.032 0.000 2.293 47 H HA -0.111 4.446 4.556 0.002 0.000 0.300 47 H C 2.127 177.473 175.328 0.030 0.000 1.082 47 H CA 1.152 57.222 56.048 0.036 0.000 1.308 47 H CB -0.020 29.789 29.762 0.079 0.000 1.375 47 H HN 0.068 nan 8.280 nan 0.000 0.495 48 I N 0.883 121.567 120.570 0.190 0.000 2.252 48 I HA -0.234 3.937 4.170 0.002 0.000 0.245 48 I C 2.814 178.927 176.117 -0.006 0.000 1.102 48 I CA 0.791 62.160 61.300 0.116 0.000 1.385 48 I CB -0.412 37.668 38.000 0.134 0.000 1.064 48 I HN 0.238 nan 8.210 nan 0.000 0.414 49 I N 0.490 121.054 120.570 -0.010 0.000 2.208 49 I HA -0.341 3.830 4.170 0.002 0.000 0.245 49 I C 2.672 178.750 176.117 -0.065 0.000 1.097 49 I CA 1.811 63.084 61.300 -0.044 0.000 1.363 49 I CB -0.452 37.530 38.000 -0.030 0.000 1.051 49 I HN 0.335 nan 8.210 nan 0.000 0.413 50 M N -0.400 119.149 119.600 -0.085 0.000 2.117 50 M HA -0.065 4.416 4.480 0.002 0.000 0.262 50 M C 1.171 177.403 176.300 -0.114 0.000 1.065 50 M CA 1.442 56.679 55.300 -0.104 0.000 1.114 50 M CB -0.704 31.814 32.600 -0.137 0.000 1.361 50 M HN -0.085 nan 8.290 nan 0.000 0.408 51 S N 2.185 117.799 115.700 -0.144 0.000 2.589 51 S HA 0.054 4.526 4.470 0.002 0.000 0.306 51 S C 0.825 175.383 174.600 -0.070 0.000 1.221 51 S CA -0.154 57.978 58.200 -0.112 0.000 1.159 51 S CB 0.490 63.630 63.200 -0.099 0.000 0.990 51 S HN 0.367 nan 8.310 nan 0.000 0.514 52 K N 2.380 122.744 120.400 -0.059 0.000 2.002 52 K HA -0.106 4.215 4.320 0.002 0.000 0.209 52 K C 0.721 177.300 176.600 -0.035 0.000 1.048 52 K CA 0.957 57.217 56.287 -0.046 0.000 0.930 52 K CB -0.086 32.392 32.500 -0.037 0.000 0.714 52 K HN 0.517 nan 8.250 nan 0.000 0.438 53 D N -0.174 120.212 120.400 -0.023 0.000 2.414 53 D HA 0.051 4.692 4.640 0.002 0.000 0.242 53 D C 0.803 177.099 176.300 -0.006 0.000 1.129 53 D CA 0.276 54.271 54.000 -0.009 0.000 0.885 53 D CB 1.249 42.053 40.800 0.008 0.000 1.198 53 D HN 0.181 nan 8.370 nan 0.000 0.437 54 A N 3.056 125.874 122.820 -0.004 0.000 1.902 54 A HA -0.131 4.190 4.320 0.002 0.000 0.217 54 A C 2.269 179.865 177.584 0.019 0.000 1.181 54 A CA 1.579 53.614 52.037 -0.004 0.000 0.623 54 A CB -0.667 18.333 19.000 0.001 0.000 0.818 54 A HN 0.518 nan 8.150 nan 0.000 0.443 55 V N -0.086 119.850 119.914 0.036 0.000 2.295 55 V HA -0.226 3.895 4.120 0.002 0.000 0.246 55 V C 2.762 178.905 176.094 0.082 0.000 1.049 55 V CA 2.347 64.687 62.300 0.066 0.000 1.024 55 V CB -0.929 30.943 31.823 0.082 0.000 0.648 55 V HN 0.555 nan 8.190 nan 0.000 0.447 56 S N 0.675 116.412 115.700 0.062 0.000 2.368 56 S HA -0.112 4.359 4.470 0.002 0.000 0.225 56 S C 2.097 176.722 174.600 0.041 0.000 1.030 56 S CA 1.342 59.574 58.200 0.053 0.000 0.999 56 S CB -0.715 62.493 63.200 0.014 0.000 0.844 56 S HN 0.691 nan 8.310 nan 0.000 0.459 57 G N 0.668 109.479 108.800 0.019 0.000 2.418 57 G HA2 -0.223 3.738 3.960 0.002 0.000 0.217 57 G HA3 -0.223 3.738 3.960 0.002 0.000 0.217 57 G C 1.489 176.421 174.900 0.054 0.000 1.158 57 G CA 1.548 46.654 45.100 0.010 0.000 0.771 57 G HN 0.511 nan 8.290 nan 0.000 0.545 58 T N 0.236 114.829 114.554 0.065 0.000 2.777 58 T HA -0.035 4.316 4.350 0.002 0.000 0.266 58 T C 2.194 176.989 174.700 0.159 0.000 1.040 58 T CA 1.103 63.267 62.100 0.108 0.000 1.141 58 T CB -0.252 68.673 68.868 0.095 0.000 0.868 58 T HN 0.092 nan 8.240 nan 0.000 0.444 59 L N 0.826 122.137 121.223 0.147 0.000 2.093 59 L HA -0.009 4.332 4.340 0.002 0.000 0.208 59 L C 2.564 179.575 176.870 0.234 0.000 1.085 59 L CA 1.725 56.674 54.840 0.182 0.000 0.755 59 L CB -0.808 41.330 42.059 0.132 0.000 0.904 59 L HN 0.214 nan 8.230 nan 0.000 0.435 60 R N -0.005 120.607 120.500 0.188 0.000 2.073 60 R HA -0.174 4.167 4.340 0.002 0.000 0.234 60 R C 2.146 178.659 176.300 0.355 0.000 1.134 60 R CA 1.262 57.519 56.100 0.262 0.000 0.952 60 R CB -1.314 29.111 30.300 0.208 0.000 0.850 60 R HN 0.342 nan 8.270 nan 0.000 0.433 61 L N 0.139 121.520 121.223 0.264 0.000 2.093 61 L HA -0.087 4.254 4.340 0.002 0.000 0.208 61 L C 2.115 179.095 176.870 0.183 0.000 1.085 61 L CA 1.459 56.433 54.840 0.223 0.000 0.755 61 L CB -0.654 41.525 42.059 0.199 0.000 0.904 61 L HN 0.034 nan 8.230 nan 0.000 0.435 62 F N -1.273 118.739 119.950 0.104 0.000 2.171 62 F HA -0.222 4.306 4.527 0.002 0.000 0.300 62 F C 2.141 177.990 175.800 0.081 0.000 1.090 62 F CA 1.672 59.701 58.000 0.047 0.000 1.293 62 F CB -0.579 38.452 39.000 0.052 0.000 1.013 62 F HN 0.356 nan 8.300 nan 0.000 0.486 63 W N 0.740 122.048 121.300 0.012 0.000 2.335 63 W HA -0.225 4.436 4.660 0.002 0.000 0.311 63 W C 2.659 179.083 176.519 -0.157 0.000 1.213 63 W CA 2.645 59.953 57.345 -0.062 0.000 1.274 63 W CB -1.039 28.427 29.460 0.010 0.000 1.148 63 W HN 0.016 nan 8.180 nan 0.000 0.498 64 T N 0.434 114.916 114.554 -0.118 0.000 2.788 64 T HA -0.238 4.113 4.350 0.002 0.000 0.268 64 T C 1.823 176.249 174.700 -0.457 0.000 1.044 64 T CA 1.750 63.586 62.100 -0.439 0.000 1.139 64 T CB -0.616 68.193 68.868 -0.098 0.000 0.867 64 T HN 0.138 nan 8.240 nan 0.000 0.454 65 L N 0.985 121.968 121.223 -0.399 0.000 2.083 65 L HA 0.098 4.439 4.340 0.002 0.000 0.209 65 L C 2.152 178.700 176.870 -0.537 0.000 1.083 65 L CA 1.596 56.170 54.840 -0.442 0.000 0.752 65 L CB -0.990 40.750 42.059 -0.532 0.000 0.899 65 L HN 0.335 nan 8.230 nan 0.000 0.433 66 L N -0.864 119.941 121.223 -0.698 0.000 2.083 66 L HA -0.153 4.188 4.340 0.002 0.000 0.209 66 L C 2.388 179.003 176.870 -0.425 0.000 1.083 66 L CA 1.962 56.464 54.840 -0.565 0.000 0.752 66 L CB -0.804 40.971 42.059 -0.473 0.000 0.899 66 L HN 0.290 nan 8.230 nan 0.000 0.433 67 S N -0.929 114.472 115.700 -0.498 0.000 2.469 67 S HA -0.085 4.387 4.470 0.002 0.000 0.238 67 S C 1.009 175.439 174.600 -0.284 0.000 0.998 67 S CA 0.753 58.710 58.200 -0.406 0.000 0.957 67 S CB -0.275 62.633 63.200 -0.488 0.000 0.764 67 S HN 0.408 nan 8.310 nan 0.000 0.514 68 K N 1.077 121.312 120.400 -0.275 0.000 2.209 68 K HA 0.231 4.552 4.320 0.002 0.000 0.238 68 K C 0.715 177.205 176.600 -0.183 0.000 1.028 68 K CA -0.790 55.379 56.287 -0.196 0.000 0.935 68 K CB 0.329 32.733 32.500 -0.159 0.000 1.162 68 K HN 0.071 nan 8.250 nan 0.000 0.485 69 Q N 0.584 120.299 119.800 -0.141 0.000 2.189 69 Q HA 0.087 4.428 4.340 0.002 0.000 0.193 69 Q C 0.362 176.289 176.000 -0.121 0.000 1.034 69 Q CA 0.104 55.827 55.803 -0.134 0.000 1.062 69 Q CB 0.209 28.885 28.738 -0.103 0.000 1.118 69 Q HN 0.530 nan 8.270 nan 0.000 0.569 70 E N 0.449 120.580 120.200 -0.115 0.000 2.160 70 E HA -0.216 4.135 4.350 0.002 0.000 0.195 70 E C 1.707 178.272 176.600 -0.057 0.000 0.991 70 E CA 1.637 57.983 56.400 -0.090 0.000 0.810 70 E CB 0.050 29.701 29.700 -0.081 0.000 0.742 70 E HN 0.754 nan 8.360 nan 0.000 0.466 71 E N 0.107 120.274 120.200 -0.055 0.000 2.118 71 E HA -0.261 4.091 4.350 0.002 0.000 0.195 71 E C 2.009 178.598 176.600 -0.019 0.000 0.992 71 E CA 1.245 57.625 56.400 -0.034 0.000 0.804 71 E CB -0.090 29.588 29.700 -0.036 0.000 0.741 71 E HN 0.294 nan 8.360 nan 0.000 0.458 72 M N 0.226 119.805 119.600 -0.034 0.000 2.117 72 M HA -0.150 4.331 4.480 0.002 0.000 0.262 72 M C 2.308 178.630 176.300 0.037 0.000 1.065 72 M CA 1.306 56.597 55.300 -0.014 0.000 1.114 72 M CB -0.051 32.510 32.600 -0.064 0.000 1.361 72 M HN 0.170 nan 8.290 nan 0.000 0.408 73 V N 0.303 120.225 119.914 0.013 0.000 2.407 73 V HA -0.292 3.829 4.120 0.002 0.000 0.248 73 V C 2.210 178.378 176.094 0.123 0.000 1.055 73 V CA 2.455 64.799 62.300 0.073 0.000 1.049 73 V CB -0.442 31.404 31.823 0.039 0.000 0.662 73 V HN 0.705 nan 8.190 nan 0.000 0.455 74 Q N 0.343 120.177 119.800 0.057 0.000 2.079 74 Q HA -0.226 4.115 4.340 0.002 0.000 0.200 74 Q C 2.159 178.187 176.000 0.046 0.000 0.974 74 Q CA 2.272 58.100 55.803 0.042 0.000 0.840 74 Q CB -0.359 28.385 28.738 0.010 0.000 0.898 74 Q HN 0.570 nan 8.270 nan 0.000 0.430 75 K N -0.576 119.855 120.400 0.052 0.000 2.057 75 K HA -0.095 4.226 4.320 0.002 0.000 0.206 75 K C 1.715 178.345 176.600 0.050 0.000 1.050 75 K CA 1.344 57.653 56.287 0.038 0.000 0.935 75 K CB -0.711 31.810 32.500 0.036 0.000 0.715 75 K HN 0.316 nan 8.250 nan 0.000 0.439 76 F N -0.034 119.909 119.950 -0.011 0.000 2.134 76 F HA -0.158 4.370 4.527 0.002 0.000 0.299 76 F C 1.962 177.762 175.800 -0.001 0.000 1.097 76 F CA 1.359 59.358 58.000 -0.000 0.000 1.264 76 F CB -0.524 38.486 39.000 0.018 0.000 1.001 76 F HN -0.087 nan 8.300 nan 0.000 0.479 77 V N 0.459 120.440 119.914 0.111 0.000 2.407 77 V HA -0.288 3.833 4.120 0.002 0.000 0.248 77 V C 2.325 178.339 176.094 -0.134 0.000 1.055 77 V CA 2.527 64.828 62.300 0.001 0.000 1.049 77 V CB -0.483 31.380 31.823 0.066 0.000 0.662 77 V HN 0.574 nan 8.190 nan 0.000 0.455 78 E N 0.105 120.246 120.200 -0.098 0.000 2.077 78 E HA -0.298 4.053 4.350 0.002 0.000 0.193 78 E C 2.053 178.559 176.600 -0.156 0.000 0.989 78 E CA 1.646 57.987 56.400 -0.099 0.000 0.800 78 E CB -0.093 29.571 29.700 -0.060 0.000 0.746 78 E HN 0.935 nan 8.360 nan 0.000 0.452 79 E N 0.148 120.207 120.200 -0.234 0.000 2.110 79 E HA -0.155 4.196 4.350 0.002 0.000 0.193 79 E C 2.060 178.462 176.600 -0.329 0.000 0.988 79 E CA 1.142 57.383 56.400 -0.264 0.000 0.804 79 E CB -0.652 28.874 29.700 -0.289 0.000 0.745 79 E HN 0.126 nan 8.360 nan 0.000 0.458 80 V N 0.572 120.203 119.914 -0.472 0.000 2.343 80 V HA -0.172 3.950 4.120 0.002 0.000 0.247 80 V C 2.189 178.188 176.094 -0.159 0.000 1.051 80 V CA 1.732 63.813 62.300 -0.365 0.000 1.036 80 V CB -0.236 31.380 31.823 -0.344 0.000 0.654 80 V HN 0.480 nan 8.190 nan 0.000 0.451 81 L N -0.516 120.625 121.223 -0.136 0.000 2.056 81 L HA -0.153 4.188 4.340 0.002 0.000 0.207 81 L C 2.786 179.617 176.870 -0.065 0.000 1.078 81 L CA 1.594 56.385 54.840 -0.081 0.000 0.749 81 L CB -0.334 41.682 42.059 -0.072 0.000 0.901 81 L HN 0.262 nan 8.230 nan 0.000 0.433 82 R N -0.289 120.163 120.500 -0.080 0.000 2.081 82 R HA -0.153 4.188 4.340 0.002 0.000 0.235 82 R C 2.103 178.380 176.300 -0.039 0.000 1.131 82 R CA 1.250 57.317 56.100 -0.055 0.000 0.960 82 R CB -0.253 30.011 30.300 -0.060 0.000 0.856 82 R HN 0.332 nan 8.270 nan 0.000 0.436 83 I N 1.865 122.400 120.570 -0.059 0.000 2.454 83 I HA -0.213 3.958 4.170 0.002 0.000 0.254 83 I C 0.040 176.177 176.117 0.034 0.000 1.156 83 I CA 1.093 62.382 61.300 -0.019 0.000 1.433 83 I CB -1.577 36.375 38.000 -0.079 0.000 1.082 83 I HN 0.413 nan 8.210 nan 0.000 0.432 84 N N -0.280 118.427 118.700 0.011 0.000 2.696 84 N HA -0.326 4.415 4.740 0.002 0.000 0.256 84 N C -0.225 175.318 175.510 0.056 0.000 1.031 84 N CA 0.363 53.420 53.050 0.012 0.000 0.730 84 N CB -2.673 35.813 38.487 -0.001 0.000 0.894 84 N HN 0.326 nan 8.380 nan 0.000 0.544 85 Y N 0.841 121.062 120.300 -0.131 0.000 2.636 85 Y HA 0.256 4.807 4.550 0.002 0.000 0.334 85 Y C 1.469 177.268 175.900 -0.169 0.000 1.286 85 Y CA -1.092 56.904 58.100 -0.174 0.000 1.688 85 Y CB 0.183 38.534 38.460 -0.181 0.000 1.662 85 Y HN 0.260 nan 8.280 nan 0.000 0.465 86 K N 2.748 123.020 120.400 -0.213 0.000 2.009 86 K HA -0.244 4.077 4.320 0.002 0.000 0.210 86 K C 1.768 178.233 176.600 -0.224 0.000 1.049 86 K CA 1.710 57.899 56.287 -0.163 0.000 0.929 86 K CB -0.680 31.765 32.500 -0.090 0.000 0.714 86 K HN 0.625 nan 8.250 nan 0.000 0.440 87 F N 1.509 121.204 119.950 -0.425 0.000 2.113 87 F HA -0.183 4.345 4.527 0.002 0.000 0.297 87 F C 1.948 177.511 175.800 -0.395 0.000 1.103 87 F CA 1.075 58.852 58.000 -0.371 0.000 1.248 87 F CB -0.131 38.639 39.000 -0.383 0.000 0.999 87 F HN -0.057 nan 8.300 nan 0.000 0.475 88 L N 0.879 121.767 121.223 -0.559 0.000 2.093 88 L HA -0.231 4.110 4.340 0.002 0.000 0.208 88 L C 2.560 179.353 176.870 -0.130 0.000 1.085 88 L CA 1.920 56.586 54.840 -0.291 0.000 0.755 88 L CB -1.744 40.242 42.059 -0.121 0.000 0.904 88 L HN 0.414 nan 8.230 nan 0.000 0.435 89 M N -1.243 118.268 119.600 -0.148 0.000 2.229 89 M HA -0.146 4.335 4.480 0.002 0.000 0.264 89 M C 2.319 178.515 176.300 -0.174 0.000 1.063 89 M CA 2.042 57.285 55.300 -0.095 0.000 1.114 89 M CB -0.965 31.588 32.600 -0.078 0.000 1.387 89 M HN 0.146 nan 8.290 nan 0.000 0.420 90 S N 1.608 117.137 115.700 -0.285 0.000 2.348 90 S HA -0.035 4.437 4.470 0.002 0.000 0.221 90 S C -0.667 173.737 174.600 -0.326 0.000 1.033 90 S CA 1.403 59.423 58.200 -0.300 0.000 1.010 90 S CB -1.215 61.770 63.200 -0.358 0.000 0.891 90 S HN 0.318 nan 8.310 nan 0.000 0.442 91 P HA -0.012 nan 4.420 nan 0.000 0.220 91 P C 1.552 178.557 177.300 -0.492 0.000 1.148 91 P CA 0.793 63.649 63.100 -0.406 0.000 0.803 91 P CB -0.124 31.392 31.700 -0.306 0.000 0.782 92 I N 0.254 120.596 120.570 -0.379 0.000 2.252 92 I HA -0.224 3.947 4.170 0.002 0.000 0.245 92 I C 2.163 178.183 176.117 -0.162 0.000 1.102 92 I CA 1.472 62.594 61.300 -0.297 0.000 1.385 92 I CB -0.129 37.855 38.000 -0.027 0.000 1.064 92 I HN -0.074 nan 8.210 nan 0.000 0.414 93 K N -0.320 120.003 120.400 -0.130 0.000 2.148 93 K HA -0.191 4.130 4.320 0.002 0.000 0.204 93 K C 1.933 178.488 176.600 -0.075 0.000 1.050 93 K CA 1.950 58.188 56.287 -0.081 0.000 0.942 93 K CB -1.439 31.018 32.500 -0.072 0.000 0.724 93 K HN 0.240 nan 8.250 nan 0.000 0.446 94 T N 1.416 115.901 114.554 -0.115 0.000 2.788 94 T HA -0.181 4.170 4.350 0.002 0.000 0.268 94 T C 1.862 176.555 174.700 -0.011 0.000 1.044 94 T CA 1.776 63.830 62.100 -0.077 0.000 1.139 94 T CB -0.153 68.650 68.868 -0.109 0.000 0.867 94 T HN 0.595 nan 8.240 nan 0.000 0.454 95 E N 0.148 120.334 120.200 -0.024 0.000 2.058 95 E HA -0.160 4.191 4.350 0.002 0.000 0.194 95 E C 0.335 177.084 176.600 0.248 0.000 0.997 95 E CA 0.851 57.413 56.400 0.270 0.000 0.801 95 E CB -0.145 29.556 29.700 0.002 0.000 0.746 95 E HN 0.376 nan 8.360 nan 0.000 0.450 96 Q N 1.119 120.954 119.800 0.059 0.000 2.255 96 Q HA 0.035 4.376 4.340 0.002 0.000 0.280 96 Q C -0.655 175.339 176.000 -0.009 0.000 1.068 96 Q CA 0.524 56.331 55.803 0.007 0.000 0.911 96 Q CB 0.534 29.270 28.738 -0.003 0.000 1.157 96 Q HN 0.149 nan 8.270 nan 0.000 0.380 97 R N 1.327 121.795 120.500 -0.055 0.000 3.152 97 R HA -0.220 4.121 4.340 0.002 0.000 0.252 97 R C -0.834 175.453 176.300 -0.022 0.000 0.930 97 R CA 0.546 56.615 56.100 -0.051 0.000 0.642 97 R CB -2.129 28.155 30.300 -0.026 0.000 1.205 97 R HN 0.815 nan 8.270 nan 0.000 0.452 98 Q N 0.307 120.094 119.800 -0.022 0.000 2.289 98 Q HA 0.576 4.918 4.340 0.002 0.000 0.270 98 Q C -2.776 173.293 176.000 0.115 0.000 1.038 98 Q CA -2.002 53.857 55.803 0.094 0.000 0.812 98 Q CB 3.148 32.024 28.738 0.229 0.000 1.300 98 Q HN -0.066 nan 8.270 nan 0.000 0.427 99 P HA 0.484 nan 4.420 nan 0.000 0.281 99 P C -1.432 175.946 177.300 0.130 0.000 1.264 99 P CA -0.390 62.768 63.100 0.097 0.000 0.824 99 P CB 1.582 33.305 31.700 0.039 0.000 1.092 100 S N -0.359 115.409 115.700 0.113 0.000 2.578 100 S HA 0.200 4.671 4.470 0.002 0.000 0.272 100 S C 0.508 175.121 174.600 0.022 0.000 1.145 100 S CA -0.446 57.793 58.200 0.065 0.000 0.835 100 S CB 0.812 64.051 63.200 0.066 0.000 1.104 100 S HN 0.177 nan 8.310 nan 0.000 0.458 101 M N 1.299 120.889 119.600 -0.016 0.000 2.086 101 M HA -0.079 4.403 4.480 0.002 0.000 0.261 101 M C 2.018 178.246 176.300 -0.119 0.000 1.067 101 M CA 1.982 57.249 55.300 -0.054 0.000 1.116 101 M CB -0.920 31.648 32.600 -0.054 0.000 1.348 101 M HN 0.834 nan 8.290 nan 0.000 0.407 102 M N -1.645 117.875 119.600 -0.133 0.000 2.175 102 M HA -0.006 4.475 4.480 0.002 0.000 0.264 102 M C 1.906 177.980 176.300 -0.377 0.000 1.063 102 M CA 1.791 56.908 55.300 -0.304 0.000 1.119 102 M CB -2.126 30.415 32.600 -0.098 0.000 1.377 102 M HN 0.073 nan 8.290 nan 0.000 0.415 103 T N 0.663 115.211 114.554 -0.010 0.000 2.746 103 T HA -0.104 4.247 4.350 0.002 0.000 0.267 103 T C 1.986 176.758 174.700 0.119 0.000 1.039 103 T CA 1.865 64.092 62.100 0.210 0.000 1.142 103 T CB -0.303 68.786 68.868 0.369 0.000 0.866 103 T HN 0.477 nan 8.240 nan 0.000 0.444 104 R N 1.058 121.569 120.500 0.019 0.000 2.081 104 R HA -0.081 4.260 4.340 0.002 0.000 0.235 104 R C 2.608 178.884 176.300 -0.040 0.000 1.131 104 R CA 1.530 57.631 56.100 0.002 0.000 0.960 104 R CB -0.313 29.973 30.300 -0.023 0.000 0.856 104 R HN 0.556 nan 8.270 nan 0.000 0.436 105 M N -1.453 118.045 119.600 -0.170 0.000 2.175 105 M HA -0.121 4.360 4.480 0.002 0.000 0.264 105 M C 1.371 177.630 176.300 -0.068 0.000 1.063 105 M CA 1.537 56.726 55.300 -0.185 0.000 1.119 105 M CB -0.696 31.717 32.600 -0.312 0.000 1.377 105 M HN -0.025 nan 8.290 nan 0.000 0.415 106 Y N 1.037 121.433 120.300 0.160 0.000 2.200 106 Y HA -0.102 4.449 4.550 0.002 0.000 0.290 106 Y C 2.480 178.532 175.900 0.252 0.000 1.137 106 Y CA 1.033 59.321 58.100 0.313 0.000 1.163 106 Y CB -0.995 37.741 38.460 0.460 0.000 0.988 106 Y HN 0.260 nan 8.280 nan 0.000 0.518 107 I N 0.462 121.226 120.570 0.323 0.000 2.226 107 I HA -0.247 3.924 4.170 0.002 0.000 0.245 107 I C 2.378 178.560 176.117 0.108 0.000 1.100 107 I CA 1.638 63.059 61.300 0.203 0.000 1.374 107 I CB -0.519 37.575 38.000 0.157 0.000 1.057 107 I HN 0.308 nan 8.210 nan 0.000 0.413 108 E N -0.229 120.011 120.200 0.068 0.000 2.077 108 E HA -0.307 4.044 4.350 0.002 0.000 0.193 108 E C 2.212 178.827 176.600 0.025 0.000 0.989 108 E CA 1.328 57.739 56.400 0.018 0.000 0.800 108 E CB -0.346 29.350 29.700 -0.007 0.000 0.746 108 E HN 0.621 nan 8.360 nan 0.000 0.452 109 Q N 1.017 120.855 119.800 0.062 0.000 2.084 109 Q HA -0.233 4.109 4.340 0.002 0.000 0.202 109 Q C 2.300 178.290 176.000 -0.017 0.000 0.978 109 Q CA 1.681 57.508 55.803 0.040 0.000 0.844 109 Q CB -0.206 28.607 28.738 0.125 0.000 0.898 109 Q HN 0.226 nan 8.270 nan 0.000 0.426 110 R N 0.255 120.747 120.500 -0.013 0.000 2.081 110 R HA -0.171 4.170 4.340 0.002 0.000 0.235 110 R C 1.929 178.273 176.300 0.072 0.000 1.131 110 R CA 1.929 57.983 56.100 -0.077 0.000 0.960 110 R CB -0.364 29.906 30.300 -0.050 0.000 0.856 110 R HN 0.183 nan 8.270 nan 0.000 0.436 111 D N 0.142 120.626 120.400 0.140 0.000 2.144 111 D HA -0.130 4.511 4.640 0.002 0.000 0.199 111 D C 1.848 178.199 176.300 0.085 0.000 0.984 111 D CA 1.208 55.316 54.000 0.181 0.000 0.834 111 D CB 0.020 40.840 40.800 0.034 0.000 0.955 111 D HN 0.264 nan 8.370 nan 0.000 0.465 112 R N -0.530 119.963 120.500 -0.012 0.000 2.081 112 R HA -0.092 4.249 4.340 0.002 0.000 0.235 112 R C 2.446 178.662 176.300 -0.141 0.000 1.131 112 R CA 0.824 56.885 56.100 -0.066 0.000 0.960 112 R CB -0.312 29.942 30.300 -0.078 0.000 0.856 112 R HN 0.227 nan 8.270 nan 0.000 0.436 113 L N -0.785 120.303 121.223 -0.224 0.000 2.141 113 L HA -0.149 4.192 4.340 0.002 0.000 0.209 113 L C 2.008 178.635 176.870 -0.405 0.000 1.094 113 L CA 1.480 56.083 54.840 -0.395 0.000 0.763 113 L CB -0.573 41.186 42.059 -0.501 0.000 0.908 113 L HN 0.088 nan 8.230 nan 0.000 0.437 114 Y N -0.499 119.662 120.300 -0.232 0.000 2.181 114 Y HA -0.251 4.300 4.550 0.002 0.000 0.288 114 Y C 2.709 178.498 175.900 -0.184 0.000 1.146 114 Y CA 1.664 59.636 58.100 -0.213 0.000 1.164 114 Y CB -0.573 37.797 38.460 -0.150 0.000 0.982 114 Y HN 0.270 nan 8.280 nan 0.000 0.515 115 N N 0.425 119.135 118.700 0.016 0.000 2.166 115 N HA -0.218 4.523 4.740 0.002 0.000 0.186 115 N C 1.690 177.155 175.510 -0.074 0.000 1.019 115 N CA 1.507 54.544 53.050 -0.023 0.000 0.856 115 N CB -0.428 38.042 38.487 -0.027 0.000 0.993 115 N HN 0.462 nan 8.380 nan 0.000 0.426 116 D N -0.384 119.921 120.400 -0.159 0.000 2.144 116 D HA -0.164 4.477 4.640 0.002 0.000 0.199 116 D C 1.089 177.270 176.300 -0.198 0.000 0.984 116 D CA 1.144 55.011 54.000 -0.221 0.000 0.834 116 D CB 0.228 40.759 40.800 -0.449 0.000 0.955 116 D HN 0.287 nan 8.370 nan 0.000 0.465 117 N N -1.236 117.330 118.700 -0.223 0.000 2.056 117 N HA -0.058 4.683 4.740 0.002 0.000 0.291 117 N C -0.730 174.717 175.510 -0.104 0.000 1.096 117 N CA -0.117 52.839 53.050 -0.157 0.000 0.725 117 N CB 0.124 38.474 38.487 -0.229 0.000 1.802 117 N HN -0.063 nan 8.380 nan 0.000 0.682 118 Q N 1.532 121.210 119.800 -0.204 0.000 2.780 118 Q HA 0.124 4.465 4.340 0.002 0.000 0.234 118 Q C 0.732 176.761 176.000 0.048 0.000 1.355 118 Q CA -0.100 55.660 55.803 -0.073 0.000 0.919 118 Q CB 0.696 29.306 28.738 -0.214 0.000 1.645 118 Q HN 0.156 nan 8.270 nan 0.000 0.568 119 V N 1.352 121.317 119.914 0.085 0.000 2.331 119 V HA 0.022 4.143 4.120 0.002 0.000 0.242 119 V C 0.397 176.431 176.094 -0.100 0.000 1.034 119 V CA 1.432 63.750 62.300 0.030 0.000 1.027 119 V CB 0.015 31.910 31.823 0.119 0.000 0.667 119 V HN 0.447 nan 8.190 nan 0.000 0.457 120 F N -2.084 117.989 119.950 0.206 0.000 2.745 120 F HA 0.785 5.313 4.527 0.002 0.000 0.316 120 F C -0.612 175.313 175.800 0.209 0.000 1.155 120 F CA -0.460 57.635 58.000 0.157 0.000 0.937 120 F CB 1.917 40.973 39.000 0.093 0.000 1.361 120 F HN -0.097 nan 8.300 nan 0.000 0.472 121 A N 2.108 125.307 122.820 0.633 0.000 1.121 121 A HA 0.224 4.545 4.320 0.002 0.000 0.197 121 A C -0.007 177.500 177.584 -0.128 0.000 1.517 121 A CA -0.663 51.446 52.037 0.120 0.000 1.344 121 A CB -0.652 18.132 19.000 -0.360 0.000 0.355 121 A HN 0.520 nan 8.150 nan 0.000 0.640 122 K N 0.280 120.079 120.400 -1.003 0.000 2.025 122 K HA 0.013 4.335 4.320 0.002 0.000 0.207 122 K C 0.025 175.780 176.600 -1.407 0.000 1.049 122 K CA 1.747 57.366 56.287 -1.113 0.000 0.933 122 K CB -0.155 31.663 32.500 -1.136 0.000 0.714 122 K HN 0.694 nan 8.250 nan 0.000 0.438 123 Y N 0.230 119.632 120.300 -1.498 0.000 2.524 123 Y HA 0.283 4.834 4.550 0.002 0.000 0.347 123 Y C -0.032 175.799 175.900 -0.115 0.000 1.005 123 Y CA -1.259 56.611 58.100 -0.383 0.000 1.025 123 Y CB 1.891 40.297 38.460 -0.091 0.000 1.275 123 Y HN 0.081 nan 8.280 nan 0.000 0.460 124 N N 0.329 119.098 118.700 0.116 0.000 2.277 124 N HA 0.511 5.252 4.740 0.002 0.000 0.286 124 N C -2.078 173.383 175.510 -0.082 0.000 1.140 124 N CA -0.781 52.258 53.050 -0.020 0.000 0.799 124 N CB 2.869 41.273 38.487 -0.139 0.000 1.596 124 N HN 0.457 nan 8.380 nan 0.000 0.473 125 V N 0.412 120.269 119.914 -0.095 0.000 2.509 125 V HA 0.373 4.494 4.120 0.002 0.000 0.284 125 V C -0.079 175.919 176.094 -0.161 0.000 1.047 125 V CA -0.116 62.116 62.300 -0.112 0.000 0.952 125 V CB 1.282 33.066 31.823 -0.065 0.000 0.988 125 V HN 0.827 nan 8.190 nan 0.000 0.469 126 S N 6.782 122.360 115.700 -0.203 0.000 2.422 126 S HA 0.543 5.014 4.470 0.002 0.000 0.308 126 S C -0.097 174.435 174.600 -0.114 0.000 1.097 126 S CA -0.756 57.315 58.200 -0.216 0.000 1.099 126 S CB 0.179 63.192 63.200 -0.311 0.000 0.976 126 S HN 0.824 nan 8.310 nan 0.000 0.471 127 R N 4.862 125.330 120.500 -0.053 0.000 2.522 127 R HA 0.277 4.618 4.340 0.002 0.000 0.290 127 R C 0.271 176.612 176.300 0.068 0.000 1.216 127 R CA -0.435 55.667 56.100 0.003 0.000 1.250 127 R CB 0.308 30.628 30.300 0.032 0.000 1.143 127 R HN 0.506 nan 8.270 nan 0.000 0.553 128 L N 1.592 122.844 121.223 0.048 0.000 2.141 128 L HA -0.139 4.202 4.340 0.002 0.000 0.209 128 L C 1.975 178.960 176.870 0.190 0.000 1.094 128 L CA 1.506 56.440 54.840 0.156 0.000 0.763 128 L CB -0.323 41.798 42.059 0.104 0.000 0.908 128 L HN 0.413 nan 8.230 nan 0.000 0.437 129 Q N -0.327 119.528 119.800 0.091 0.000 2.020 129 Q HA -0.140 4.201 4.340 0.002 0.000 0.202 129 Q C -0.288 175.759 176.000 0.078 0.000 0.982 129 Q CA 1.906 57.749 55.803 0.066 0.000 0.838 129 Q CB -1.678 27.074 28.738 0.024 0.000 0.899 129 Q HN 0.328 nan 8.270 nan 0.000 0.423 130 P HA -0.123 nan 4.420 nan 0.000 0.222 130 P C 0.727 178.106 177.300 0.132 0.000 1.153 130 P CA 0.822 63.976 63.100 0.089 0.000 0.798 130 P CB -0.080 31.658 31.700 0.063 0.000 0.796 131 Y N 0.510 120.846 120.300 0.060 0.000 2.145 131 Y HA -0.173 4.378 4.550 0.002 0.000 0.286 131 Y C 1.926 177.869 175.900 0.072 0.000 1.145 131 Y CA 1.502 59.654 58.100 0.087 0.000 1.148 131 Y CB -1.052 37.472 38.460 0.108 0.000 0.981 131 Y HN -0.250 nan 8.280 nan 0.000 0.507 132 L N 0.695 121.855 121.223 -0.104 0.000 2.093 132 L HA -0.165 4.176 4.340 0.002 0.000 0.208 132 L C 2.372 179.142 176.870 -0.167 0.000 1.085 132 L CA 1.942 56.656 54.840 -0.210 0.000 0.755 132 L CB -1.360 40.696 42.059 -0.004 0.000 0.904 132 L HN 0.261 nan 8.230 nan 0.000 0.435 133 K N 0.568 120.924 120.400 -0.073 0.000 2.057 133 K HA -0.178 4.143 4.320 0.002 0.000 0.207 133 K C 2.029 178.574 176.600 -0.092 0.000 1.049 133 K CA 1.182 57.434 56.287 -0.058 0.000 0.931 133 K CB -0.533 31.960 32.500 -0.011 0.000 0.714 133 K HN 0.074 nan 8.250 nan 0.000 0.440 134 L N 1.786 122.950 121.223 -0.097 0.000 2.046 134 L HA -0.153 4.188 4.340 0.002 0.000 0.208 134 L C 2.281 179.024 176.870 -0.210 0.000 1.077 134 L CA 2.025 56.801 54.840 -0.106 0.000 0.747 134 L CB -0.958 41.074 42.059 -0.046 0.000 0.896 134 L HN 0.417 nan 8.230 nan 0.000 0.432 135 R N 0.004 120.283 120.500 -0.368 0.000 2.075 135 R HA -0.185 4.156 4.340 0.002 0.000 0.232 135 R C 1.807 177.907 176.300 -0.334 0.000 1.126 135 R CA 1.366 57.136 56.100 -0.550 0.000 0.963 135 R CB -0.861 28.823 30.300 -1.027 0.000 0.858 135 R HN 0.526 nan 8.270 nan 0.000 0.435 136 Q N 0.822 120.488 119.800 -0.224 0.000 2.050 136 Q HA -0.038 4.304 4.340 0.002 0.000 0.202 136 Q C 2.377 178.312 176.000 -0.108 0.000 0.980 136 Q CA 1.909 57.633 55.803 -0.132 0.000 0.840 136 Q CB -0.203 28.483 28.738 -0.088 0.000 0.898 136 Q HN 0.554 nan 8.270 nan 0.000 0.424 137 A N 1.104 123.861 122.820 -0.105 0.000 1.902 137 A HA -0.157 4.164 4.320 0.002 0.000 0.217 137 A C 2.049 179.582 177.584 -0.085 0.000 1.181 137 A CA 1.004 52.991 52.037 -0.083 0.000 0.623 137 A CB -0.720 18.232 19.000 -0.080 0.000 0.818 137 A HN 0.403 nan 8.150 nan 0.000 0.443 138 L N -0.629 120.527 121.223 -0.111 0.000 2.083 138 L HA -0.111 4.230 4.340 0.002 0.000 0.209 138 L C 2.382 179.206 176.870 -0.076 0.000 1.083 138 L CA 1.170 55.955 54.840 -0.092 0.000 0.752 138 L CB -0.164 41.828 42.059 -0.112 0.000 0.899 138 L HN 0.429 nan 8.230 nan 0.000 0.433 139 L N 0.139 121.301 121.223 -0.101 0.000 2.017 139 L HA -0.235 4.106 4.340 0.002 0.000 0.208 139 L C 2.299 179.146 176.870 -0.040 0.000 1.073 139 L CA 2.040 56.839 54.840 -0.067 0.000 0.745 139 L CB -0.923 41.094 42.059 -0.071 0.000 0.894 139 L HN 0.421 nan 8.230 nan 0.000 0.432 140 E N -0.138 120.036 120.200 -0.043 0.000 2.047 140 E HA -0.147 4.204 4.350 0.002 0.000 0.191 140 E C 1.064 177.653 176.600 -0.017 0.000 0.987 140 E CA 0.517 56.900 56.400 -0.028 0.000 0.799 140 E CB 0.022 29.703 29.700 -0.031 0.000 0.752 140 E HN 0.319 nan 8.360 nan 0.000 0.449 141 L N 1.922 123.133 121.223 -0.020 0.000 2.353 141 L HA 0.209 4.550 4.340 0.002 0.000 0.269 141 L C 0.836 177.712 176.870 0.009 0.000 1.085 141 L CA -0.141 54.696 54.840 -0.004 0.000 0.938 141 L CB 0.239 42.294 42.059 -0.008 0.000 1.312 141 L HN 0.029 nan 8.230 nan 0.000 0.429 142 R N 1.946 122.457 120.500 0.018 0.000 2.073 142 R HA 0.038 4.379 4.340 0.002 0.000 0.229 142 R C -1.574 174.758 176.300 0.054 0.000 1.120 142 R CA 0.296 56.417 56.100 0.035 0.000 0.967 142 R CB -1.149 29.172 30.300 0.035 0.000 0.862 142 R HN 0.460 nan 8.270 nan 0.000 0.436 143 P HA -0.004 nan 4.420 nan 0.000 0.271 143 P C -0.897 176.446 177.300 0.071 0.000 1.244 143 P CA 0.101 63.235 63.100 0.056 0.000 0.793 143 P CB 0.477 32.205 31.700 0.045 0.000 0.984 144 A N 1.861 124.723 122.820 0.070 0.000 2.567 144 A HA 0.326 4.647 4.320 0.002 0.000 0.240 144 A C 0.569 178.276 177.584 0.205 0.000 1.053 144 A CA 0.885 52.991 52.037 0.116 0.000 0.755 144 A CB -0.685 18.329 19.000 0.023 0.000 0.978 144 A HN 0.587 nan 8.150 nan 0.000 0.507 145 K N 1.807 122.399 120.400 0.320 0.000 2.580 145 K HA 0.301 4.622 4.320 0.002 0.000 0.288 145 K C -1.763 174.899 176.600 0.105 0.000 1.041 145 K CA -0.678 55.727 56.287 0.198 0.000 0.855 145 K CB 0.772 33.305 32.500 0.054 0.000 1.543 145 K HN 0.600 nan 8.250 nan 0.000 0.388 146 N N 0.483 119.112 118.700 -0.118 0.000 2.491 146 N HA 0.288 5.029 4.740 0.002 0.000 0.274 146 N C -1.205 174.093 175.510 -0.353 0.000 1.023 146 N CA -0.602 52.295 53.050 -0.254 0.000 0.902 146 N CB 2.337 40.721 38.487 -0.173 0.000 1.267 146 N HN 0.235 nan 8.380 nan 0.000 0.503 147 V N 3.880 123.650 119.914 -0.240 0.000 2.364 147 V HA 0.264 4.385 4.120 0.002 0.000 0.272 147 V C 0.486 176.484 176.094 -0.159 0.000 1.036 147 V CA -0.467 61.681 62.300 -0.254 0.000 0.880 147 V CB 1.191 32.930 31.823 -0.139 0.000 0.991 147 V HN 0.509 nan 8.190 nan 0.000 0.460 148 L N 5.631 126.779 121.223 -0.124 0.000 2.399 148 L HA 0.602 4.943 4.340 0.002 0.000 0.265 148 L C -0.197 176.663 176.870 -0.016 0.000 1.089 148 L CA -0.229 54.672 54.840 0.101 0.000 0.802 148 L CB 1.737 44.010 42.059 0.356 0.000 1.180 148 L HN 0.515 nan 8.230 nan 0.000 0.454 149 I N 1.173 121.679 120.570 -0.106 0.000 2.571 149 I HA 0.207 4.378 4.170 0.002 0.000 0.289 149 I C -1.640 174.267 176.117 -0.350 0.000 1.115 149 I CA -0.479 60.547 61.300 -0.458 0.000 1.045 149 I CB 2.419 40.119 38.000 -0.501 0.000 1.238 149 I HN 0.629 nan 8.210 nan 0.000 0.424 150 D N 4.384 124.691 120.400 -0.155 0.000 2.452 150 D HA 0.621 5.262 4.640 0.002 0.000 0.226 150 D C -0.509 175.973 176.300 0.303 0.000 1.366 150 D CA -0.445 53.618 54.000 0.106 0.000 0.986 150 D CB 1.527 42.392 40.800 0.108 0.000 1.420 150 D HN 0.622 nan 8.370 nan 0.000 0.583 151 G N 0.149 109.155 108.800 0.343 0.000 2.975 151 G HA2 0.578 4.539 3.960 0.002 0.000 0.291 151 G HA3 0.578 4.539 3.960 0.002 0.000 0.291 151 G C -0.744 174.284 174.900 0.213 0.000 1.334 151 G CA -0.936 44.342 45.100 0.296 0.000 0.843 151 G HN 0.412 nan 8.290 nan 0.000 0.548 152 V N 1.646 121.644 119.914 0.140 0.000 2.999 152 V HA 0.151 4.272 4.120 0.002 0.000 0.307 152 V C 0.809 176.925 176.094 0.036 0.000 1.084 152 V CA -0.643 61.693 62.300 0.060 0.000 1.155 152 V CB 0.945 32.768 31.823 -0.000 0.000 0.975 152 V HN 0.584 nan 8.190 nan 0.000 0.490 153 L N 2.322 123.518 121.223 -0.045 0.000 2.540 153 L HA 0.387 4.728 4.340 0.002 0.000 0.276 153 L C 1.105 177.951 176.870 -0.040 0.000 1.212 153 L CA 0.928 55.748 54.840 -0.034 0.000 0.893 153 L CB -1.716 40.286 42.059 -0.094 0.000 1.138 153 L HN 1.041 nan 8.230 nan 0.000 0.491 154 G N 2.434 111.256 108.800 0.038 0.000 2.136 154 G HA2 -0.296 3.665 3.960 0.002 0.000 0.242 154 G HA3 -0.296 3.665 3.960 0.002 0.000 0.242 154 G C 0.887 175.817 174.900 0.051 0.000 0.989 154 G CA 0.448 45.576 45.100 0.046 0.000 0.682 154 G HN 0.706 nan 8.290 nan 0.000 0.522 155 S N -0.477 115.269 115.700 0.075 0.000 2.474 155 S HA 0.330 4.801 4.470 0.002 0.000 0.235 155 S C 2.106 176.752 174.600 0.077 0.000 0.997 155 S CA 1.585 59.821 58.200 0.060 0.000 0.949 155 S CB -0.113 63.133 63.200 0.076 0.000 0.766 155 S HN 2.265 nan 8.310 nan 0.000 0.517 156 G N 1.182 110.075 108.800 0.155 0.000 2.145 156 G HA2 -0.215 3.746 3.960 0.002 0.000 0.176 156 G HA3 -0.215 3.746 3.960 0.002 0.000 0.176 156 G C 0.590 175.688 174.900 0.329 0.000 1.013 156 G CA 0.307 45.531 45.100 0.207 0.000 0.689 156 G HN 0.439 nan 8.290 nan 0.000 0.506 157 K N -0.245 120.400 120.400 0.409 0.000 1.991 157 K HA -0.040 4.282 4.320 0.002 0.000 0.212 157 K C 2.616 179.466 176.600 0.417 0.000 1.049 157 K CA 2.107 58.766 56.287 0.620 0.000 0.932 157 K CB -0.391 32.306 32.500 0.328 0.000 0.717 157 K HN 0.297 nan 8.250 nan 0.000 0.441 158 T N -0.123 114.644 114.554 0.355 0.000 2.777 158 T HA -0.150 4.201 4.350 0.002 0.000 0.266 158 T C 1.440 176.313 174.700 0.288 0.000 1.040 158 T CA 1.104 63.423 62.100 0.365 0.000 1.141 158 T CB -0.307 68.766 68.868 0.341 0.000 0.868 158 T HN 0.336 nan 8.240 nan 0.000 0.444 159 W N 1.352 122.747 121.300 0.158 0.000 2.355 159 W HA -0.148 4.513 4.660 0.002 0.000 0.309 159 W C 2.366 178.951 176.519 0.111 0.000 1.206 159 W CA 0.750 58.152 57.345 0.096 0.000 1.284 159 W CB -0.633 28.883 29.460 0.093 0.000 1.145 159 W HN -0.054 nan 8.180 nan 0.000 0.502 160 V N 0.552 120.718 119.914 0.421 0.000 2.332 160 V HA -0.356 3.765 4.120 0.002 0.000 0.248 160 V C 2.301 178.562 176.094 0.277 0.000 1.055 160 V CA 2.079 64.594 62.300 0.357 0.000 1.038 160 V CB -1.709 30.332 31.823 0.363 0.000 0.651 160 V HN 0.290 nan 8.190 nan 0.000 0.450 161 A N -0.221 122.761 122.820 0.270 0.000 1.902 161 A HA -0.142 4.179 4.320 0.002 0.000 0.217 161 A C 2.206 179.869 177.584 0.131 0.000 1.181 161 A CA 1.779 53.976 52.037 0.267 0.000 0.623 161 A CB -0.501 18.799 19.000 0.500 0.000 0.818 161 A HN 0.517 nan 8.150 nan 0.000 0.443 162 L N -0.489 120.685 121.223 -0.082 0.000 2.017 162 L HA -0.197 4.144 4.340 0.002 0.000 0.208 162 L C 2.116 178.872 176.870 -0.189 0.000 1.073 162 L CA 1.531 56.165 54.840 -0.343 0.000 0.745 162 L CB -0.846 40.827 42.059 -0.644 0.000 0.894 162 L HN 0.306 nan 8.230 nan 0.000 0.432 163 D N -0.264 120.093 120.400 -0.072 0.000 2.144 163 D HA -0.176 4.465 4.640 0.002 0.000 0.199 163 D C 2.247 178.701 176.300 0.257 0.000 0.984 163 D CA 1.117 55.160 54.000 0.071 0.000 0.834 163 D CB -0.241 40.692 40.800 0.221 0.000 0.955 163 D HN 0.128 nan 8.370 nan 0.000 0.465 164 V N 0.384 120.467 119.914 0.281 0.000 2.343 164 V HA -0.233 3.888 4.120 0.002 0.000 0.247 164 V C 2.553 178.822 176.094 0.292 0.000 1.051 164 V CA 1.704 64.186 62.300 0.304 0.000 1.036 164 V CB -0.204 31.660 31.823 0.068 0.000 0.654 164 V HN 0.343 nan 8.190 nan 0.000 0.451 165 C N -0.463 118.934 119.300 0.162 0.000 2.446 165 C HA -0.075 4.386 4.460 0.002 0.000 0.277 165 C C 2.444 177.537 174.990 0.172 0.000 1.275 165 C CA 1.285 60.391 59.018 0.146 0.000 1.727 165 C CB -1.187 26.587 27.740 0.057 0.000 2.010 165 C HN 0.588 nan 8.230 nan 0.000 0.486 166 L N 1.704 122.969 121.223 0.070 0.000 2.027 166 L HA -0.053 4.288 4.340 0.002 0.000 0.206 166 L C 2.903 179.801 176.870 0.047 0.000 1.074 166 L CA 2.309 57.124 54.840 -0.042 0.000 0.745 166 L CB -0.668 41.247 42.059 -0.240 0.000 0.898 166 L HN 0.511 nan 8.230 nan 0.000 0.433 167 S N -2.132 113.699 115.700 0.219 0.000 2.527 167 S HA -0.093 4.378 4.470 0.002 0.000 0.222 167 S C 1.335 176.025 174.600 0.150 0.000 0.985 167 S CA 0.129 58.497 58.200 0.279 0.000 0.921 167 S CB -0.666 62.623 63.200 0.148 0.000 0.772 167 S HN 0.370 nan 8.310 nan 0.000 0.529 168 Y N 3.540 124.008 120.300 0.279 0.000 2.550 168 Y HA 0.176 4.727 4.550 0.002 0.000 0.351 168 Y C 1.947 177.854 175.900 0.012 0.000 1.160 168 Y CA -0.100 58.062 58.100 0.104 0.000 1.337 168 Y CB -0.728 37.776 38.460 0.074 0.000 1.196 168 Y HN 0.487 nan 8.280 nan 0.000 0.498 169 K N -0.929 119.320 120.400 -0.252 0.000 2.144 169 K HA -0.272 4.049 4.320 0.002 0.000 0.209 169 K C 1.763 178.263 176.600 -0.167 0.000 1.047 169 K CA 2.251 58.168 56.287 -0.617 0.000 0.927 169 K CB -0.975 30.182 32.500 -2.238 0.000 0.716 169 K HN 0.342 nan 8.250 nan 0.000 0.454 170 V N -0.833 119.001 119.914 -0.133 0.000 2.295 170 V HA -0.252 3.869 4.120 0.002 0.000 0.246 170 V C 2.693 178.848 176.094 0.101 0.000 1.049 170 V CA 1.912 64.222 62.300 0.016 0.000 1.024 170 V CB -0.924 30.913 31.823 0.023 0.000 0.648 170 V HN 0.464 nan 8.190 nan 0.000 0.447 171 Q N 0.052 119.958 119.800 0.175 0.000 2.084 171 Q HA -0.183 4.158 4.340 0.002 0.000 0.202 171 Q C 2.242 178.309 176.000 0.111 0.000 0.978 171 Q CA 2.678 58.554 55.803 0.122 0.000 0.844 171 Q CB -0.679 28.123 28.738 0.107 0.000 0.898 171 Q HN 0.803 nan 8.270 nan 0.000 0.426 172 C N 1.175 120.580 119.300 0.176 0.000 2.425 172 C HA -0.054 4.407 4.460 0.002 0.000 0.277 172 C C 2.688 177.744 174.990 0.110 0.000 1.280 172 C CA 0.772 59.892 59.018 0.170 0.000 1.744 172 C CB -0.672 27.231 27.740 0.272 0.000 1.989 172 C HN 0.434 nan 8.230 nan 0.000 0.491 173 K N 1.059 121.544 120.400 0.142 0.000 2.025 173 K HA -0.038 4.283 4.320 0.002 0.000 0.207 173 K C 1.931 178.466 176.600 -0.108 0.000 1.049 173 K CA 1.700 58.007 56.287 0.034 0.000 0.933 173 K CB -0.480 32.072 32.500 0.087 0.000 0.714 173 K HN 0.480 nan 8.250 nan 0.000 0.438 174 M N 0.858 120.409 119.600 -0.081 0.000 2.099 174 M HA -0.110 4.371 4.480 0.002 0.000 0.262 174 M C 0.940 177.091 176.300 -0.248 0.000 1.067 174 M CA 1.034 56.236 55.300 -0.163 0.000 1.124 174 M CB -0.332 32.225 32.600 -0.071 0.000 1.353 174 M HN 0.015 nan 8.290 nan 0.000 0.410 175 D N -0.398 119.943 120.400 -0.098 0.000 2.389 175 D HA 0.000 4.641 4.640 0.002 0.000 0.247 175 D C 0.392 176.647 176.300 -0.074 0.000 1.128 175 D CA 0.098 54.085 54.000 -0.021 0.000 0.884 175 D CB 0.978 41.828 40.800 0.082 0.000 1.194 175 D HN 0.018 nan 8.370 nan 0.000 0.441 176 F N 2.667 122.646 119.950 0.048 0.000 2.075 176 F HA -0.039 4.489 4.527 0.002 0.000 0.297 176 F C 1.258 177.064 175.800 0.010 0.000 1.113 176 F CA 1.024 59.032 58.000 0.013 0.000 1.218 176 F CB 0.012 39.002 39.000 -0.016 0.000 0.984 176 F HN 0.156 nan 8.300 nan 0.000 0.472 177 K N -0.876 119.682 120.400 0.263 0.000 2.533 177 K HA 0.457 4.778 4.320 0.002 0.000 0.272 177 K C -1.584 175.103 176.600 0.146 0.000 0.985 177 K CA -0.889 55.476 56.287 0.131 0.000 0.876 177 K CB 3.001 35.568 32.500 0.112 0.000 1.452 177 K HN -0.249 nan 8.250 nan 0.000 0.439 178 I N 1.834 122.385 120.570 -0.031 0.000 2.582 178 I HA 0.496 4.667 4.170 0.002 0.000 0.292 178 I C -1.767 174.262 176.117 -0.145 0.000 1.066 178 I CA -0.791 60.547 61.300 0.063 0.000 1.053 178 I CB 1.266 39.332 38.000 0.110 0.000 1.241 178 I HN 0.535 nan 8.210 nan 0.000 0.421 179 F N 7.209 127.250 119.950 0.151 0.000 2.467 179 F HA 0.406 4.934 4.527 0.001 0.000 0.336 179 F C -0.509 175.397 175.800 0.176 0.000 1.123 179 F CA -0.525 57.559 58.000 0.140 0.000 0.964 179 F CB 1.561 40.602 39.000 0.069 0.000 1.136 179 F HN 0.416 nan 8.300 nan 0.000 0.447 180 W N 7.017 128.394 121.300 0.129 0.000 2.600 180 W HA 0.735 5.396 4.660 0.002 0.000 0.325 180 W C -2.277 174.284 176.519 0.071 0.000 1.034 180 W CA -0.946 56.442 57.345 0.071 0.000 1.226 180 W CB 1.509 30.979 29.460 0.017 0.000 1.379 180 W HN 0.409 nan 8.180 nan 0.000 0.466 181 L N 5.588 126.763 121.223 -0.081 0.000 2.409 181 L HA 0.303 4.644 4.340 0.002 0.000 0.262 181 L C -0.220 176.564 176.870 -0.143 0.000 0.992 181 L CA -0.899 53.952 54.840 0.017 0.000 0.817 181 L CB 2.370 44.439 42.059 0.017 0.000 1.350 181 L HN 0.362 nan 8.230 nan 0.000 0.411 182 N N 3.042 121.760 118.700 0.031 0.000 2.457 182 N HA 0.290 5.031 4.740 0.002 0.000 0.250 182 N C -0.890 174.622 175.510 0.004 0.000 0.982 182 N CA -0.502 52.556 53.050 0.014 0.000 0.941 182 N CB 0.949 39.515 38.487 0.132 0.000 1.120 182 N HN 0.414 nan 8.380 nan 0.000 0.505 183 L N 2.460 123.659 121.223 -0.040 0.000 2.453 183 L HA 0.156 4.497 4.340 0.002 0.000 0.272 183 L C 1.142 178.022 176.870 0.018 0.000 1.182 183 L CA 0.284 55.112 54.840 -0.020 0.000 0.858 183 L CB 0.302 42.335 42.059 -0.044 0.000 1.120 183 L HN 0.449 nan 8.230 nan 0.000 0.474 184 K N 4.005 124.421 120.400 0.026 0.000 2.126 184 K HA 0.053 4.374 4.320 0.002 0.000 0.257 184 K C 0.196 176.817 176.600 0.036 0.000 1.007 184 K CA -0.530 55.779 56.287 0.036 0.000 0.928 184 K CB 0.647 33.169 32.500 0.036 0.000 1.013 184 K HN 0.578 nan 8.250 nan 0.000 0.473 185 N N 2.645 121.370 118.700 0.041 0.000 2.332 185 N HA -0.126 4.615 4.740 0.002 0.000 0.274 185 N C 0.512 176.044 175.510 0.036 0.000 1.351 185 N CA 0.096 53.171 53.050 0.041 0.000 0.875 185 N CB 0.081 38.590 38.487 0.037 0.000 1.140 185 N HN 0.423 nan 8.380 nan 0.000 0.489 186 C N 3.078 122.403 119.300 0.041 0.000 2.467 186 C HA -0.077 4.384 4.460 0.002 0.000 0.279 186 C C 2.152 177.161 174.990 0.032 0.000 1.347 186 C CA 0.488 59.529 59.018 0.039 0.000 1.748 186 C CB -1.356 26.417 27.740 0.055 0.000 1.977 186 C HN 0.859 nan 8.230 nan 0.000 0.501 187 N N 1.277 119.993 118.700 0.028 0.000 2.223 187 N HA -0.093 4.648 4.740 0.002 0.000 0.185 187 N C 0.531 176.046 175.510 0.010 0.000 1.016 187 N CA 0.838 53.895 53.050 0.011 0.000 0.863 187 N CB -0.356 38.129 38.487 -0.003 0.000 0.983 187 N HN 0.252 nan 8.380 nan 0.000 0.429 188 S N 1.860 117.569 115.700 0.015 0.000 2.531 188 S HA 0.090 4.561 4.470 0.002 0.000 0.279 188 S C -1.284 173.326 174.600 0.016 0.000 1.305 188 S CA -1.247 56.962 58.200 0.015 0.000 1.058 188 S CB 1.371 64.582 63.200 0.018 0.000 0.899 188 S HN 0.238 nan 8.310 nan 0.000 0.493 189 P HA -0.235 nan 4.420 nan 0.000 0.213 189 P C 1.279 178.590 177.300 0.019 0.000 1.170 189 P CA 1.461 64.570 63.100 0.015 0.000 0.902 189 P CB 0.011 31.719 31.700 0.013 0.000 0.789 190 E N -0.629 119.583 120.200 0.019 0.000 2.265 190 E HA -0.134 4.217 4.350 0.002 0.000 0.196 190 E C 1.669 178.283 176.600 0.023 0.000 0.996 190 E CA 1.386 57.799 56.400 0.021 0.000 0.832 190 E CB -1.431 28.282 29.700 0.021 0.000 0.756 190 E HN 0.145 nan 8.360 nan 0.000 0.491 191 T N 1.683 116.250 114.554 0.023 0.000 2.699 191 T HA -0.192 4.159 4.350 0.002 0.000 0.268 191 T C 2.141 176.854 174.700 0.022 0.000 1.036 191 T CA 2.213 64.328 62.100 0.024 0.000 1.147 191 T CB -0.517 68.366 68.868 0.024 0.000 0.862 191 T HN 0.374 nan 8.240 nan 0.000 0.446 192 V N 0.535 120.461 119.914 0.020 0.000 2.287 192 V HA -0.118 4.003 4.120 0.002 0.000 0.248 192 V C 2.364 178.465 176.094 0.013 0.000 1.053 192 V CA 1.541 63.850 62.300 0.015 0.000 1.027 192 V CB -1.243 30.590 31.823 0.016 0.000 0.646 192 V HN 0.424 nan 8.190 nan 0.000 0.447 193 L N 0.172 121.406 121.223 0.019 0.000 2.083 193 L HA -0.162 4.179 4.340 0.002 0.000 0.209 193 L C 2.934 179.820 176.870 0.027 0.000 1.083 193 L CA 2.306 57.159 54.840 0.021 0.000 0.752 193 L CB -0.597 41.481 42.059 0.031 0.000 0.899 193 L HN 0.547 nan 8.230 nan 0.000 0.433 194 E N 0.058 120.277 120.200 0.033 0.000 2.058 194 E HA -0.296 4.056 4.350 0.002 0.000 0.194 194 E C 2.313 178.944 176.600 0.052 0.000 0.997 194 E CA 1.324 57.752 56.400 0.047 0.000 0.801 194 E CB -0.030 29.694 29.700 0.041 0.000 0.746 194 E HN 0.271 nan 8.360 nan 0.000 0.450 195 M N 0.929 120.549 119.600 0.033 0.000 2.117 195 M HA -0.128 4.353 4.480 0.002 0.000 0.262 195 M C 2.205 178.514 176.300 0.016 0.000 1.065 195 M CA 1.246 56.562 55.300 0.027 0.000 1.114 195 M CB -0.539 32.065 32.600 0.007 0.000 1.361 195 M HN 0.312 nan 8.290 nan 0.000 0.408 196 L N 0.001 121.220 121.223 -0.006 0.000 2.156 196 L HA -0.233 4.108 4.340 0.002 0.000 0.208 196 L C 2.313 179.153 176.870 -0.051 0.000 1.095 196 L CA 1.033 55.848 54.840 -0.042 0.000 0.770 196 L CB -0.206 41.822 42.059 -0.052 0.000 0.914 196 L HN 0.421 nan 8.230 nan 0.000 0.439 197 Q N -0.264 119.528 119.800 -0.014 0.000 2.084 197 Q HA -0.263 4.078 4.340 0.002 0.000 0.202 197 Q C 2.094 178.080 176.000 -0.024 0.000 0.978 197 Q CA 1.663 57.426 55.803 -0.066 0.000 0.844 197 Q CB -0.045 28.732 28.738 0.065 0.000 0.898 197 Q HN 0.480 nan 8.270 nan 0.000 0.426 198 K N 0.548 121.070 120.400 0.203 0.000 2.097 198 K HA -0.112 4.209 4.320 0.002 0.000 0.206 198 K C 2.074 178.781 176.600 0.178 0.000 1.049 198 K CA 0.948 57.440 56.287 0.342 0.000 0.933 198 K CB -0.112 32.500 32.500 0.187 0.000 0.717 198 K HN 0.164 nan 8.250 nan 0.000 0.442 199 L N 0.971 122.211 121.223 0.027 0.000 2.046 199 L HA -0.196 4.145 4.340 0.002 0.000 0.208 199 L C 2.440 179.240 176.870 -0.117 0.000 1.077 199 L CA 0.982 55.784 54.840 -0.063 0.000 0.747 199 L CB -0.427 41.547 42.059 -0.141 0.000 0.896 199 L HN 0.266 nan 8.230 nan 0.000 0.432 200 L N -1.253 119.865 121.223 -0.176 0.000 2.046 200 L HA -0.265 4.076 4.340 0.002 0.000 0.208 200 L C 2.712 179.456 176.870 -0.210 0.000 1.077 200 L CA 1.663 56.353 54.840 -0.250 0.000 0.747 200 L CB -0.279 41.566 42.059 -0.357 0.000 0.896 200 L HN 0.197 nan 8.230 nan 0.000 0.432 201 Y N -0.093 120.207 120.300 -0.001 0.000 2.145 201 Y HA -0.315 4.236 4.550 0.002 0.000 0.286 201 Y C 2.827 178.747 175.900 0.035 0.000 1.145 201 Y CA 1.832 59.945 58.100 0.021 0.000 1.148 201 Y CB -0.624 37.852 38.460 0.028 0.000 0.981 201 Y HN 0.287 nan 8.280 nan 0.000 0.507 202 Q N -0.236 119.689 119.800 0.208 0.000 2.119 202 Q HA -0.175 4.167 4.340 0.002 0.000 0.201 202 Q C 2.247 178.360 176.000 0.188 0.000 0.972 202 Q CA 1.206 57.136 55.803 0.212 0.000 0.847 202 Q CB -0.219 28.685 28.738 0.277 0.000 0.903 202 Q HN 0.433 nan 8.270 nan 0.000 0.433 203 I N 0.456 121.037 120.570 0.020 0.000 2.226 203 I HA -0.149 4.022 4.170 0.002 0.000 0.245 203 I C -0.303 175.831 176.117 0.027 0.000 1.100 203 I CA 1.590 62.833 61.300 -0.095 0.000 1.374 203 I CB -0.126 37.674 38.000 -0.333 0.000 1.057 203 I HN 0.202 nan 8.210 nan 0.000 0.413 204 D N -1.036 119.374 120.400 0.017 0.000 2.734 204 D HA 0.193 4.834 4.640 0.002 0.000 0.224 204 D C -2.328 174.004 176.300 0.053 0.000 1.222 204 D CA -0.625 53.395 54.000 0.033 0.000 0.761 204 D CB 1.833 42.615 40.800 -0.029 0.000 1.569 204 D HN -0.063 nan 8.370 nan 0.000 0.477 205 P HA 0.053 nan 4.420 nan 0.000 0.257 205 P C 0.590 177.963 177.300 0.122 0.000 1.281 205 P CA 0.010 63.199 63.100 0.149 0.000 0.826 205 P CB 0.684 32.477 31.700 0.156 0.000 1.237 206 N N 0.675 119.411 118.700 0.060 0.000 2.170 206 N HA -0.157 4.584 4.740 0.002 0.000 0.217 206 N C 1.168 176.838 175.510 0.266 0.000 1.191 206 N CA 1.011 54.085 53.050 0.040 0.000 0.891 206 N CB -0.895 37.459 38.487 -0.222 0.000 0.898 206 N HN 0.155 nan 8.380 nan 0.000 0.362 207 W N 1.107 122.417 121.300 0.017 0.000 2.800 207 W HA 0.121 4.781 4.660 -0.000 0.000 0.249 207 W C 2.133 178.651 176.519 -0.002 0.000 1.294 207 W CA 0.217 57.567 57.345 0.008 0.000 1.402 207 W CB -1.862 27.597 29.460 -0.003 0.000 1.126 207 W HN 0.268 nan 8.180 nan 0.000 0.652 208 T N 0.081 114.749 114.554 0.190 0.000 2.624 208 T HA -0.340 4.011 4.350 0.002 0.000 0.266 208 T C 1.991 176.739 174.700 0.080 0.000 1.050 208 T CA 2.685 64.824 62.100 0.065 0.000 1.163 208 T CB -0.768 68.111 68.868 0.017 0.000 0.861 208 T HN 0.185 nan 8.240 nan 0.000 0.443 209 S N 1.064 116.846 115.700 0.137 0.000 2.423 209 S HA -0.124 4.347 4.470 0.002 0.000 0.231 209 S C 2.178 176.899 174.600 0.201 0.000 1.014 209 S CA 1.244 59.564 58.200 0.200 0.000 0.965 209 S CB -0.252 63.062 63.200 0.190 0.000 0.785 209 S HN 0.679 nan 8.310 nan 0.000 0.495 210 R N 0.731 121.305 120.500 0.123 0.000 2.081 210 R HA 0.072 4.413 4.340 0.002 0.000 0.235 210 R C 1.018 177.321 176.300 0.006 0.000 1.131 210 R CA 1.193 57.331 56.100 0.064 0.000 0.960 210 R CB -0.919 29.393 30.300 0.019 0.000 0.856 210 R HN 0.224 nan 8.270 nan 0.000 0.436 211 S N 1.449 117.112 115.700 -0.062 0.000 2.584 211 S HA 0.026 4.497 4.470 0.002 0.000 0.270 211 S C -0.469 173.975 174.600 -0.261 0.000 1.346 211 S CA -0.502 57.616 58.200 -0.135 0.000 1.018 211 S CB 0.618 63.733 63.200 -0.141 0.000 0.899 211 S HN 0.220 nan 8.310 nan 0.000 0.542 212 D N 2.251 122.546 120.400 -0.175 0.000 2.451 212 D HA 0.017 4.658 4.640 0.002 0.000 0.254 212 D C -0.043 176.118 176.300 -0.232 0.000 1.204 212 D CA 0.636 54.558 54.000 -0.131 0.000 0.896 212 D CB -0.012 40.752 40.800 -0.060 0.000 1.136 212 D HN 0.387 nan 8.370 nan 0.000 0.499 213 H N 1.716 120.789 119.070 0.005 0.000 2.690 213 H HA 0.175 4.732 4.556 0.002 0.000 0.289 213 H C 0.187 175.520 175.328 0.008 0.000 1.089 213 H CA -0.363 55.688 56.048 0.005 0.000 1.299 213 H CB 0.662 30.429 29.762 0.008 0.000 1.405 213 H HN 0.168 nan 8.280 nan 0.000 0.463 214 S N 1.808 117.554 115.700 0.077 0.000 2.549 214 S HA -0.068 4.403 4.470 0.002 0.000 0.283 214 S C 1.614 176.252 174.600 0.063 0.000 1.320 214 S CA -0.231 58.001 58.200 0.053 0.000 1.058 214 S CB 1.351 64.569 63.200 0.031 0.000 0.882 214 S HN 0.731 nan 8.310 nan 0.000 0.498 215 S N 2.938 118.665 115.700 0.046 0.000 2.368 215 S HA -0.130 4.341 4.470 0.002 0.000 0.225 215 S C 0.698 175.317 174.600 0.033 0.000 1.030 215 S CA 1.240 59.464 58.200 0.039 0.000 0.999 215 S CB -0.475 62.742 63.200 0.028 0.000 0.844 215 S HN 0.896 nan 8.310 nan 0.000 0.459 216 N N -0.319 118.397 118.700 0.027 0.000 2.524 216 N HA 0.236 4.977 4.740 0.002 0.000 0.283 216 N C 0.872 176.399 175.510 0.028 0.000 1.142 216 N CA -0.274 52.789 53.050 0.022 0.000 0.984 216 N CB 0.611 39.107 38.487 0.014 0.000 1.155 216 N HN 0.218 nan 8.380 nan 0.000 0.467 217 I N 0.930 121.516 120.570 0.027 0.000 2.394 217 I HA -0.236 3.935 4.170 0.002 0.000 0.251 217 I C 1.784 177.920 176.117 0.031 0.000 1.136 217 I CA 1.203 62.521 61.300 0.031 0.000 1.425 217 I CB -0.052 37.964 38.000 0.027 0.000 1.079 217 I HN 0.659 nan 8.210 nan 0.000 0.425 218 K N 0.216 120.629 120.400 0.022 0.000 2.059 218 K HA -0.214 4.107 4.320 0.002 0.000 0.212 218 K C 1.889 178.502 176.600 0.021 0.000 1.050 218 K CA 1.418 57.715 56.287 0.015 0.000 0.927 218 K CB -0.157 32.343 32.500 0.000 0.000 0.714 218 K HN 0.292 nan 8.250 nan 0.000 0.447 219 L N 0.266 121.502 121.223 0.022 0.000 2.095 219 L HA -0.040 4.301 4.340 0.002 0.000 0.204 219 L C 2.448 179.355 176.870 0.061 0.000 1.080 219 L CA 1.352 56.210 54.840 0.031 0.000 0.759 219 L CB -0.966 41.102 42.059 0.015 0.000 0.914 219 L HN 0.128 nan 8.230 nan 0.000 0.439 220 R N 1.341 121.872 120.500 0.051 0.000 2.081 220 R HA -0.162 4.180 4.340 0.002 0.000 0.235 220 R C 2.246 178.575 176.300 0.049 0.000 1.131 220 R CA 1.504 57.636 56.100 0.052 0.000 0.960 220 R CB -0.481 29.863 30.300 0.074 0.000 0.856 220 R HN 0.410 nan 8.270 nan 0.000 0.436 221 I N -0.887 119.716 120.570 0.055 0.000 2.226 221 I HA -0.207 3.965 4.170 0.002 0.000 0.245 221 I C 2.013 178.151 176.117 0.036 0.000 1.100 221 I CA 2.137 63.460 61.300 0.039 0.000 1.374 221 I CB -1.754 36.271 38.000 0.041 0.000 1.057 221 I HN 0.260 nan 8.210 nan 0.000 0.413 222 H N 1.572 120.631 119.070 -0.017 0.000 2.353 222 H HA -0.068 4.489 4.556 0.002 0.000 0.300 222 H C 2.308 177.615 175.328 -0.035 0.000 1.090 222 H CA 2.325 58.359 56.048 -0.024 0.000 1.327 222 H CB 0.030 29.780 29.762 -0.020 0.000 1.383 222 H HN 0.349 nan 8.280 nan 0.000 0.508 223 S N -0.175 115.562 115.700 0.062 0.000 2.382 223 S HA -0.116 4.356 4.470 0.002 0.000 0.228 223 S C 2.245 176.790 174.600 -0.092 0.000 1.027 223 S CA 1.323 59.514 58.200 -0.015 0.000 0.991 223 S CB -0.182 63.007 63.200 -0.019 0.000 0.823 223 S HN 0.398 nan 8.310 nan 0.000 0.469 224 I N 1.302 121.826 120.570 -0.077 0.000 2.226 224 I HA -0.239 3.932 4.170 0.002 0.000 0.245 224 I C 2.557 178.593 176.117 -0.135 0.000 1.100 224 I CA 1.188 62.431 61.300 -0.095 0.000 1.374 224 I CB -0.385 37.575 38.000 -0.066 0.000 1.057 224 I HN 0.268 nan 8.210 nan 0.000 0.413 225 Q N 0.724 120.427 119.800 -0.162 0.000 2.124 225 Q HA -0.167 4.174 4.340 0.002 0.000 0.202 225 Q C 2.392 178.265 176.000 -0.211 0.000 0.977 225 Q CA 2.004 57.693 55.803 -0.191 0.000 0.850 225 Q CB -0.406 28.201 28.738 -0.219 0.000 0.901 225 Q HN 0.566 nan 8.270 nan 0.000 0.429 226 A N 1.475 124.148 122.820 -0.244 0.000 1.902 226 A HA -0.269 4.052 4.320 0.002 0.000 0.217 226 A C 2.020 179.518 177.584 -0.143 0.000 1.181 226 A CA 1.746 53.666 52.037 -0.195 0.000 0.623 226 A CB -0.646 18.256 19.000 -0.164 0.000 0.818 226 A HN 0.584 nan 8.150 nan 0.000 0.443 227 E N -0.031 120.088 120.200 -0.135 0.000 2.106 227 E HA -0.169 4.182 4.350 0.002 0.000 0.192 227 E C 2.066 178.578 176.600 -0.147 0.000 0.984 227 E CA 1.200 57.527 56.400 -0.121 0.000 0.806 227 E CB -0.575 29.056 29.700 -0.116 0.000 0.750 227 E HN 0.576 nan 8.360 nan 0.000 0.458 228 L N 0.739 121.860 121.223 -0.170 0.000 2.046 228 L HA -0.170 4.171 4.340 0.002 0.000 0.208 228 L C 2.903 179.649 176.870 -0.208 0.000 1.077 228 L CA 1.586 56.302 54.840 -0.207 0.000 0.747 228 L CB -0.149 41.786 42.059 -0.206 0.000 0.896 228 L HN 0.081 nan 8.230 nan 0.000 0.432 229 R N 0.269 120.663 120.500 -0.176 0.000 2.081 229 R HA -0.216 4.125 4.340 0.002 0.000 0.235 229 R C 2.475 178.694 176.300 -0.134 0.000 1.131 229 R CA 1.915 57.921 56.100 -0.157 0.000 0.960 229 R CB -0.514 29.705 30.300 -0.136 0.000 0.856 229 R HN 0.334 nan 8.270 nan 0.000 0.436 230 R N -0.263 120.165 120.500 -0.119 0.000 2.073 230 R HA -0.117 4.224 4.340 0.002 0.000 0.234 230 R C 1.928 178.168 176.300 -0.099 0.000 1.134 230 R CA 1.770 57.816 56.100 -0.091 0.000 0.952 230 R CB -0.335 29.922 30.300 -0.073 0.000 0.850 230 R HN 0.228 nan 8.270 nan 0.000 0.433 231 L N 0.575 121.716 121.223 -0.137 0.000 2.141 231 L HA -0.151 4.190 4.340 0.002 0.000 0.209 231 L C 2.178 178.953 176.870 -0.158 0.000 1.094 231 L CA 0.980 55.729 54.840 -0.152 0.000 0.763 231 L CB -0.417 41.514 42.059 -0.213 0.000 0.908 231 L HN 0.164 nan 8.230 nan 0.000 0.437 232 L N -0.571 120.528 121.223 -0.208 0.000 2.046 232 L HA -0.206 4.135 4.340 0.002 0.000 0.208 232 L C 2.542 179.407 176.870 -0.008 0.000 1.077 232 L CA 1.573 56.315 54.840 -0.163 0.000 0.747 232 L CB -0.762 41.186 42.059 -0.186 0.000 0.896 232 L HN 0.163 nan 8.230 nan 0.000 0.432 233 K N -0.228 120.143 120.400 -0.048 0.000 2.097 233 K HA -0.125 4.196 4.320 0.002 0.000 0.205 233 K C 2.340 178.929 176.600 -0.018 0.000 1.050 233 K CA 1.465 57.730 56.287 -0.037 0.000 0.938 233 K CB -0.353 32.118 32.500 -0.049 0.000 0.718 233 K HN 0.429 nan 8.250 nan 0.000 0.442 234 S N -0.408 115.285 115.700 -0.012 0.000 2.370 234 S HA -0.127 4.344 4.470 0.002 0.000 0.226 234 S C 0.891 175.493 174.600 0.003 0.000 1.033 234 S CA 0.793 58.983 58.200 -0.017 0.000 1.011 234 S CB -0.169 63.008 63.200 -0.038 0.000 0.852 234 S HN 0.217 nan 8.310 nan 0.000 0.457 235 K N 0.707 121.168 120.400 0.101 0.000 2.450 235 K HA 0.390 4.711 4.320 0.002 0.000 0.248 235 K C -2.413 174.112 176.600 -0.125 0.000 1.056 235 K CA -2.437 53.856 56.287 0.010 0.000 0.974 235 K CB 0.548 33.075 32.500 0.045 0.000 1.334 235 K HN -0.114 nan 8.250 nan 0.000 0.516 236 P HA -0.054 nan 4.420 nan 0.000 0.252 236 P C 0.111 177.058 177.300 -0.589 0.000 1.265 236 P CA 0.774 63.606 63.100 -0.446 0.000 0.775 236 P CB -0.156 31.327 31.700 -0.361 0.000 1.128 237 Y N 0.955 121.130 120.300 -0.209 0.000 2.384 237 Y HA -0.208 4.343 4.550 0.002 0.000 0.289 237 Y C 2.225 178.032 175.900 -0.154 0.000 1.152 237 Y CA 1.097 59.137 58.100 -0.100 0.000 1.258 237 Y CB -0.968 37.462 38.460 -0.049 0.000 0.979 237 Y HN 0.036 nan 8.280 nan 0.000 0.549 238 E N 0.431 120.530 120.200 -0.168 0.000 2.113 238 E HA -0.247 4.104 4.350 0.002 0.000 0.210 238 E C 0.317 176.928 176.600 0.019 0.000 1.040 238 E CA 1.778 58.115 56.400 -0.106 0.000 0.847 238 E CB -0.450 29.146 29.700 -0.173 0.000 0.755 238 E HN 0.360 nan 8.360 nan 0.000 0.459 239 N N -0.406 118.391 118.700 0.160 0.000 2.801 239 N HA 0.189 4.930 4.740 0.002 0.000 0.235 239 N C -1.526 174.207 175.510 0.371 0.000 1.069 239 N CA -0.147 53.076 53.050 0.289 0.000 0.946 239 N CB 0.935 39.640 38.487 0.363 0.000 1.212 239 N HN 0.113 nan 8.380 nan 0.000 0.509 240 C N 2.879 122.336 119.300 0.262 0.000 2.355 240 C HA 0.601 5.062 4.460 0.002 0.000 0.332 240 C C -0.330 174.807 174.990 0.245 0.000 1.255 240 C CA -1.037 58.175 59.018 0.324 0.000 1.792 240 C CB -0.315 27.659 27.740 0.390 0.000 2.300 240 C HN 0.581 nan 8.230 nan 0.000 0.515 241 L N 7.121 128.497 121.223 0.254 0.000 2.264 241 L HA 0.650 4.991 4.340 0.002 0.000 0.289 241 L C -0.816 176.191 176.870 0.228 0.000 1.044 241 L CA 0.179 55.135 54.840 0.192 0.000 0.807 241 L CB 0.690 42.843 42.059 0.158 0.000 1.192 241 L HN 0.646 nan 8.230 nan 0.000 0.425 242 L N 5.894 127.211 121.223 0.156 0.000 2.346 242 L HA 0.649 4.991 4.340 0.002 0.000 0.276 242 L C -0.928 175.954 176.870 0.019 0.000 1.006 242 L CA -1.003 53.917 54.840 0.133 0.000 0.817 242 L CB 2.064 44.156 42.059 0.054 0.000 1.272 242 L HN 0.271 nan 8.230 nan 0.000 0.421 243 V N 4.364 124.233 119.914 -0.075 0.000 2.409 243 V HA 0.386 4.507 4.120 0.002 0.000 0.291 243 V C -0.311 175.422 176.094 -0.601 0.000 1.020 243 V CA -0.612 61.467 62.300 -0.368 0.000 0.848 243 V CB 1.963 33.435 31.823 -0.585 0.000 0.990 243 V HN 0.382 nan 8.190 nan 0.000 0.430 244 L N 5.866 126.777 121.223 -0.519 0.000 2.265 244 L HA 0.507 4.848 4.340 0.002 0.000 0.289 244 L C -0.290 176.252 176.870 -0.548 0.000 1.033 244 L CA -0.401 54.143 54.840 -0.493 0.000 0.814 244 L CB 0.966 42.783 42.059 -0.404 0.000 1.203 244 L HN 0.522 nan 8.230 nan 0.000 0.423 245 L N 5.037 125.916 121.223 -0.573 0.000 2.334 245 L HA 0.424 4.765 4.340 0.002 0.000 0.277 245 L C 0.693 177.487 176.870 -0.128 0.000 1.075 245 L CA 0.326 54.954 54.840 -0.355 0.000 0.804 245 L CB 0.482 42.434 42.059 -0.179 0.000 1.174 245 L HN 0.729 nan 8.230 nan 0.000 0.438 246 N N 3.149 121.833 118.700 -0.027 0.000 2.667 246 N HA -0.176 4.565 4.740 0.002 0.000 0.263 246 N C -1.325 174.209 175.510 0.040 0.000 1.038 246 N CA 0.872 53.950 53.050 0.048 0.000 0.749 246 N CB -0.745 37.789 38.487 0.078 0.000 0.892 246 N HN 0.394 nan 8.380 nan 0.000 0.546 247 V N 2.471 122.410 119.914 0.042 0.000 2.368 247 V HA 0.095 4.216 4.120 0.002 0.000 0.266 247 V C 1.492 177.743 176.094 0.262 0.000 1.045 247 V CA -0.226 62.119 62.300 0.074 0.000 0.899 247 V CB 1.516 33.273 31.823 -0.110 0.000 1.006 247 V HN 0.464 nan 8.190 nan 0.000 0.470 248 Q N 4.229 124.143 119.800 0.189 0.000 2.096 248 Q HA 0.022 4.363 4.340 0.002 0.000 0.197 248 Q C 1.002 177.114 176.000 0.187 0.000 0.964 248 Q CA 1.268 57.176 55.803 0.174 0.000 0.838 248 Q CB 0.100 28.902 28.738 0.107 0.000 0.906 248 Q HN 0.763 nan 8.270 nan 0.000 0.444 249 N N -1.450 117.375 118.700 0.208 0.000 2.417 249 N HA 0.386 5.127 4.740 0.002 0.000 0.300 249 N C -0.180 175.525 175.510 0.325 0.000 1.102 249 N CA 0.411 53.558 53.050 0.163 0.000 0.886 249 N CB 1.495 40.037 38.487 0.092 0.000 1.203 249 N HN 0.125 nan 8.380 nan 0.000 0.496 250 A N 3.247 126.147 122.820 0.134 0.000 1.972 250 A HA -0.183 4.139 4.320 0.002 0.000 0.219 250 A C 1.751 179.504 177.584 0.282 0.000 1.169 250 A CA 1.809 53.900 52.037 0.090 0.000 0.635 250 A CB -0.568 18.330 19.000 -0.169 0.000 0.810 250 A HN 0.864 nan 8.150 nan 0.000 0.446 251 K N -0.114 120.384 120.400 0.164 0.000 2.103 251 K HA -0.015 4.307 4.320 0.002 0.000 0.207 251 K C 1.963 178.660 176.600 0.162 0.000 1.048 251 K CA 1.465 57.828 56.287 0.128 0.000 0.930 251 K CB -0.616 31.925 32.500 0.069 0.000 0.716 251 K HN 0.255 nan 8.250 nan 0.000 0.444 252 A N 1.304 124.233 122.820 0.182 0.000 1.933 252 A HA -0.121 4.200 4.320 0.002 0.000 0.218 252 A C 1.759 179.385 177.584 0.070 0.000 1.175 252 A CA 1.373 53.447 52.037 0.060 0.000 0.628 252 A CB -1.006 17.954 19.000 -0.065 0.000 0.814 252 A HN 0.585 nan 8.150 nan 0.000 0.444 253 W N 1.290 122.611 121.300 0.035 0.000 2.358 253 W HA -0.154 4.507 4.660 0.002 0.000 0.303 253 W C 2.395 178.977 176.519 0.105 0.000 1.208 253 W CA 1.220 58.587 57.345 0.036 0.000 1.274 253 W CB -0.636 28.811 29.460 -0.021 0.000 1.138 253 W HN 0.672 nan 8.180 nan 0.000 0.515 254 N N 0.646 119.529 118.700 0.306 0.000 2.244 254 N HA -0.103 4.638 4.740 0.002 0.000 0.183 254 N C 1.784 177.400 175.510 0.176 0.000 1.016 254 N CA 1.475 54.653 53.050 0.213 0.000 0.866 254 N CB -0.899 37.670 38.487 0.136 0.000 0.980 254 N HN 0.146 nan 8.380 nan 0.000 0.430 255 A N 1.370 124.272 122.820 0.137 0.000 1.972 255 A HA -0.131 4.191 4.320 0.002 0.000 0.219 255 A C 1.962 179.586 177.584 0.067 0.000 1.169 255 A CA 0.910 52.986 52.037 0.065 0.000 0.635 255 A CB -1.080 17.934 19.000 0.024 0.000 0.810 255 A HN 0.430 nan 8.150 nan 0.000 0.446 256 F N 1.786 121.719 119.950 -0.027 0.000 2.126 256 F HA -0.253 4.275 4.527 0.002 0.000 0.299 256 F C 1.947 177.739 175.800 -0.014 0.000 1.096 256 F CA 2.096 60.069 58.000 -0.045 0.000 1.255 256 F CB -0.354 38.621 39.000 -0.041 0.000 0.997 256 F HN 0.221 nan 8.300 nan 0.000 0.479 257 N N 1.054 119.958 118.700 0.340 0.000 2.061 257 N HA -0.150 4.591 4.740 0.002 0.000 0.193 257 N C 0.670 176.179 175.510 -0.001 0.000 1.030 257 N CA 1.293 54.482 53.050 0.232 0.000 0.856 257 N CB -0.607 38.000 38.487 0.200 0.000 1.023 257 N HN 0.313 nan 8.380 nan 0.000 0.424 258 L N 0.973 122.182 121.223 -0.023 0.000 2.389 258 L HA 0.212 4.553 4.340 0.002 0.000 0.265 258 L C 0.072 176.844 176.870 -0.163 0.000 1.167 258 L CA -0.139 54.651 54.840 -0.084 0.000 1.045 258 L CB -0.048 41.971 42.059 -0.066 0.000 1.351 258 L HN 0.001 nan 8.230 nan 0.000 0.419 259 S N -0.915 114.625 115.700 -0.266 0.000 3.178 259 S HA 0.317 4.788 4.470 0.002 0.000 0.300 259 S C -0.650 173.682 174.600 -0.447 0.000 1.242 259 S CA -0.336 57.653 58.200 -0.352 0.000 1.291 259 S CB 0.588 63.539 63.200 -0.415 0.000 1.484 259 S HN 0.616 nan 8.310 nan 0.000 0.468 260 C N 1.575 120.547 119.300 -0.547 0.000 3.363 260 C HA 0.879 5.340 4.460 0.002 0.000 0.364 260 C C -0.553 174.073 174.990 -0.606 0.000 2.827 260 C CA -0.871 57.889 59.018 -0.430 0.000 1.656 260 C CB -0.101 27.517 27.740 -0.203 0.000 3.126 260 C HN 1.030 nan 8.230 nan 0.000 0.506 261 K N 0.961 121.262 120.400 -0.165 0.000 2.237 261 K HA 0.672 4.993 4.320 0.002 0.000 0.270 261 K C -0.857 175.888 176.600 0.242 0.000 1.015 261 K CA 0.091 56.448 56.287 0.116 0.000 0.949 261 K CB 0.408 32.978 32.500 0.117 0.000 0.976 261 K HN 0.594 nan 8.250 nan 0.000 0.472 262 I N 2.180 123.029 120.570 0.466 0.000 2.827 262 I HA 0.258 4.430 4.170 0.002 0.000 0.298 262 I C -1.296 174.840 176.117 0.032 0.000 1.235 262 I CA -1.050 60.400 61.300 0.250 0.000 1.021 262 I CB 2.030 40.239 38.000 0.347 0.000 1.259 262 I HN 0.579 nan 8.210 nan 0.000 0.427 263 L N 5.448 126.637 121.223 -0.057 0.000 2.313 263 L HA 0.576 4.918 4.340 0.002 0.000 0.283 263 L C -0.752 175.988 176.870 -0.217 0.000 1.013 263 L CA -0.279 54.495 54.840 -0.110 0.000 0.816 263 L CB 1.420 43.444 42.059 -0.059 0.000 1.236 263 L HN 0.268 nan 8.230 nan 0.000 0.419 264 L N 2.031 123.123 121.223 -0.218 0.000 2.354 264 L HA 0.781 5.122 4.340 0.002 0.000 0.269 264 L C 0.141 176.916 176.870 -0.158 0.000 1.005 264 L CA -0.498 54.163 54.840 -0.299 0.000 0.819 264 L CB 2.203 43.944 42.059 -0.530 0.000 1.311 264 L HN 0.620 nan 8.230 nan 0.000 0.423 265 T N -1.824 112.641 114.554 -0.149 0.000 2.779 265 T HA 0.872 5.223 4.350 0.002 0.000 0.280 265 T C -0.252 174.480 174.700 0.053 0.000 0.987 265 T CA -0.542 61.521 62.100 -0.061 0.000 0.966 265 T CB 1.321 70.175 68.868 -0.023 0.000 0.933 265 T HN 0.549 nan 8.240 nan 0.000 0.442 266 T N 2.126 116.757 114.554 0.130 0.000 2.923 266 T HA 0.413 4.764 4.350 0.002 0.000 0.311 266 T C 0.810 175.646 174.700 0.227 0.000 1.183 266 T CA -1.030 61.209 62.100 0.231 0.000 1.020 266 T CB 2.146 71.250 68.868 0.393 0.000 1.165 266 T HN 0.580 nan 8.240 nan 0.000 0.482 267 R N 0.163 120.824 120.500 0.269 0.000 2.313 267 R HA 0.191 4.532 4.340 0.002 0.000 0.199 267 R C -0.090 176.488 176.300 0.462 0.000 0.958 267 R CA 0.329 56.624 56.100 0.325 0.000 1.047 267 R CB 0.080 30.570 30.300 0.316 0.000 0.955 267 R HN 0.378 nan 8.270 nan 0.000 0.481 268 F N 0.368 120.381 119.950 0.103 0.000 2.541 268 F HA 0.264 4.792 4.527 0.002 0.000 0.331 268 F C 1.017 176.796 175.800 -0.036 0.000 1.057 268 F CA -1.888 56.084 58.000 -0.046 0.000 0.975 268 F CB 1.680 40.530 39.000 -0.250 0.000 1.246 268 F HN -0.387 nan 8.300 nan 0.000 0.484 269 K N 0.693 120.705 120.400 -0.647 0.000 2.244 269 K HA 0.037 4.358 4.320 0.002 0.000 0.200 269 K C 1.370 177.302 176.600 -1.113 0.000 1.052 269 K CA 0.471 56.351 56.287 -0.679 0.000 0.980 269 K CB 0.136 32.343 32.500 -0.488 0.000 0.838 269 K HN 0.610 nan 8.250 nan 0.000 0.481 270 Q N 0.575 118.994 119.800 -2.302 0.000 2.224 270 Q HA -0.078 4.263 4.340 0.002 0.000 0.203 270 Q C 2.125 177.740 176.000 -0.642 0.000 0.970 270 Q CA 0.883 55.904 55.803 -1.303 0.000 0.865 270 Q CB -0.150 28.259 28.738 -0.549 0.000 0.922 270 Q HN 0.160 nan 8.270 nan 0.000 0.445 271 V N 1.218 120.799 119.914 -0.554 0.000 2.324 271 V HA -0.273 3.848 4.120 0.002 0.000 0.250 271 V C 2.252 177.828 176.094 -0.862 0.000 1.060 271 V CA 2.236 64.303 62.300 -0.388 0.000 1.042 271 V CB -0.936 30.625 31.823 -0.437 0.000 0.650 271 V HN 0.386 nan 8.190 nan 0.000 0.450 272 T N -0.801 113.255 114.554 -0.831 0.000 2.684 272 T HA -0.231 4.120 4.350 0.002 0.000 0.267 272 T C 1.821 176.070 174.700 -0.751 0.000 1.036 272 T CA 1.766 63.417 62.100 -0.749 0.000 1.148 272 T CB -0.395 68.190 68.868 -0.472 0.000 0.863 272 T HN 0.477 nan 8.240 nan 0.000 0.436 273 D N 0.127 120.123 120.400 -0.674 0.000 2.117 273 D HA -0.047 4.594 4.640 0.002 0.000 0.197 273 D C 1.844 177.802 176.300 -0.569 0.000 0.987 273 D CA 0.893 54.509 54.000 -0.640 0.000 0.829 273 D CB -0.231 40.157 40.800 -0.687 0.000 0.961 273 D HN 0.345 nan 8.370 nan 0.000 0.460 274 F N 0.963 120.664 119.950 -0.414 0.000 2.134 274 F HA -0.118 4.410 4.527 0.002 0.000 0.299 274 F C 2.360 178.007 175.800 -0.254 0.000 1.097 274 F CA 0.513 58.335 58.000 -0.296 0.000 1.264 274 F CB -0.541 38.289 39.000 -0.284 0.000 1.001 274 F HN 0.029 nan 8.300 nan 0.000 0.479 275 L N -0.269 120.859 121.223 -0.158 0.000 2.046 275 L HA -0.184 4.157 4.340 0.002 0.000 0.208 275 L C 2.121 178.978 176.870 -0.022 0.000 1.077 275 L CA 2.004 56.828 54.840 -0.026 0.000 0.747 275 L CB -1.113 41.030 42.059 0.140 0.000 0.896 275 L HN 0.123 nan 8.230 nan 0.000 0.432 276 S N 0.751 116.355 115.700 -0.160 0.000 2.402 276 S HA -0.047 4.424 4.470 0.002 0.000 0.229 276 S C 2.185 176.751 174.600 -0.057 0.000 1.021 276 S CA 1.044 59.189 58.200 -0.091 0.000 0.974 276 S CB -0.383 62.671 63.200 -0.242 0.000 0.800 276 S HN 0.668 nan 8.310 nan 0.000 0.484 277 A N 1.842 124.602 122.820 -0.100 0.000 1.898 277 A HA 0.216 4.537 4.320 0.002 0.000 0.216 277 A C 2.391 179.976 177.584 0.002 0.000 1.181 277 A CA 1.535 53.535 52.037 -0.061 0.000 0.620 277 A CB -1.147 17.802 19.000 -0.085 0.000 0.819 277 A HN 0.511 nan 8.150 nan 0.000 0.442 278 A N -0.437 122.403 122.820 0.033 0.000 1.877 278 A HA 0.089 4.410 4.320 0.002 0.000 0.216 278 A C 1.540 179.170 177.584 0.076 0.000 1.186 278 A CA 1.863 53.939 52.037 0.065 0.000 0.620 278 A CB -1.088 17.970 19.000 0.096 0.000 0.822 278 A HN 0.796 nan 8.150 nan 0.000 0.443 279 T N -1.220 113.390 114.554 0.092 0.000 2.792 279 T HA 0.507 4.858 4.350 0.002 0.000 0.280 279 T C 0.177 174.929 174.700 0.087 0.000 0.990 279 T CA -0.018 62.150 62.100 0.113 0.000 0.960 279 T CB 1.143 70.124 68.868 0.190 0.000 0.939 279 T HN 0.526 nan 8.240 nan 0.000 0.439 280 T N -0.332 114.265 114.554 0.071 0.000 2.750 280 T HA 0.336 4.687 4.350 0.002 0.000 0.351 280 T C 0.681 175.425 174.700 0.074 0.000 1.082 280 T CA 0.234 62.367 62.100 0.056 0.000 1.022 280 T CB -0.949 67.944 68.868 0.041 0.000 1.249 280 T HN 2.122 nan 8.240 nan 0.000 0.520 281 T N -1.755 112.835 114.554 0.060 0.000 3.247 281 T HA -0.240 4.111 4.350 0.002 0.000 0.434 281 T C -0.507 174.234 174.700 0.069 0.000 0.770 281 T CA 1.011 63.144 62.100 0.055 0.000 2.236 281 T CB -2.754 66.144 68.868 0.049 0.000 1.678 281 T HN 1.369 nan 8.240 nan 0.000 0.645 282 H N 1.548 120.608 119.070 -0.017 0.000 2.529 282 H HA 0.802 5.359 4.556 0.002 0.000 0.348 282 H C -0.107 175.206 175.328 -0.026 0.000 1.152 282 H CA -1.255 54.774 56.048 -0.030 0.000 1.202 282 H CB 1.147 30.879 29.762 -0.050 0.000 1.562 282 H HN 0.603 nan 8.280 nan 0.000 0.515 283 I N 2.640 122.747 120.570 -0.773 0.000 2.545 283 I HA 0.286 4.457 4.170 0.002 0.000 0.292 283 I C -0.604 175.242 176.117 -0.451 0.000 1.040 283 I CA -0.652 60.414 61.300 -0.389 0.000 1.068 283 I CB 2.063 39.904 38.000 -0.265 0.000 1.251 283 I HN 0.444 nan 8.210 nan 0.000 0.424 284 S N 5.716 121.393 115.700 -0.039 0.000 2.532 284 S HA 0.716 5.187 4.470 0.002 0.000 0.299 284 S C -1.301 173.343 174.600 0.074 0.000 1.105 284 S CA -0.471 57.793 58.200 0.107 0.000 1.018 284 S CB 1.333 64.663 63.200 0.218 0.000 1.021 284 S HN 0.448 nan 8.310 nan 0.000 0.483 285 L N 4.437 125.719 121.223 0.099 0.000 2.343 285 L HA 0.640 4.981 4.340 0.002 0.000 0.278 285 L C -1.431 175.607 176.870 0.279 0.000 0.996 285 L CA -0.220 54.712 54.840 0.154 0.000 0.831 285 L CB 1.570 43.731 42.059 0.169 0.000 1.232 285 L HN 0.511 nan 8.230 nan 0.000 0.413 286 D N 2.830 123.379 120.400 0.249 0.000 2.163 286 D HA 0.409 5.050 4.640 0.002 0.000 0.248 286 D C 0.118 176.512 176.300 0.158 0.000 1.035 286 D CA 0.332 54.513 54.000 0.302 0.000 0.872 286 D CB 0.947 41.911 40.800 0.272 0.000 1.183 286 D HN 0.705 nan 8.370 nan 0.000 0.445 287 H N -0.608 118.524 119.070 0.103 0.000 3.415 287 H HA -0.232 4.325 4.556 0.002 0.000 0.213 287 H C -0.065 175.376 175.328 0.190 0.000 1.091 287 H CA 1.605 57.731 56.048 0.130 0.000 1.182 287 H CB -1.253 28.583 29.762 0.123 0.000 1.160 287 H HN 0.655 nan 8.280 nan 0.000 0.319 288 H N -1.756 117.354 119.070 0.067 0.000 2.845 288 H HA 0.431 4.988 4.556 0.002 0.000 0.251 288 H C -0.061 175.280 175.328 0.022 0.000 1.415 288 H CA 1.010 57.086 56.048 0.046 0.000 1.102 288 H CB -0.159 29.634 29.762 0.051 0.000 1.746 288 H HN 0.750 nan 8.280 nan 0.000 0.447 289 S N -0.747 114.513 115.700 -0.734 0.000 4.074 289 S HA -0.214 4.257 4.470 0.002 0.000 0.636 289 S C 1.325 175.733 174.600 -0.321 0.000 1.550 289 S CA 1.304 59.260 58.200 -0.407 0.000 1.877 289 S CB -1.787 61.337 63.200 -0.127 0.000 0.327 289 S HN 1.437 nan 8.310 nan 0.000 1.583 290 M N -0.527 118.970 119.600 -0.171 0.000 2.229 290 M HA 0.231 4.712 4.480 0.002 0.000 0.264 290 M C 1.292 177.535 176.300 -0.096 0.000 1.063 290 M CA 2.219 57.450 55.300 -0.116 0.000 1.114 290 M CB -1.195 31.358 32.600 -0.079 0.000 1.387 290 M HN 1.902 nan 8.290 nan 0.000 0.420 291 T N 1.717 116.216 114.554 -0.093 0.000 4.141 291 T HA -0.101 4.250 4.350 0.002 0.000 0.352 291 T C 0.104 174.769 174.700 -0.058 0.000 0.756 291 T CA 0.578 62.633 62.100 -0.075 0.000 1.958 291 T CB -1.884 66.945 68.868 -0.066 0.000 1.848 291 T HN 0.702 nan 8.240 nan 0.000 0.872 292 L N -2.411 118.781 121.223 -0.051 0.000 7.544 292 L HA -0.206 4.135 4.340 0.002 0.000 0.055 292 L C 0.546 177.391 176.870 -0.042 0.000 1.403 292 L CA 1.021 55.836 54.840 -0.041 0.000 1.513 292 L CB -1.764 40.270 42.059 -0.042 0.000 2.856 292 L HN 0.726 nan 8.230 nan 0.000 1.159 293 T N -3.670 110.858 114.554 -0.042 0.000 2.841 293 T HA 0.597 4.948 4.350 0.002 0.000 0.285 293 T C -2.288 172.389 174.700 -0.039 0.000 0.991 293 T CA -1.604 60.471 62.100 -0.041 0.000 0.966 293 T CB 2.384 71.225 68.868 -0.045 0.000 0.962 293 T HN 0.306 nan 8.240 nan 0.000 0.438 294 P HA -0.040 nan 4.420 nan 0.000 0.222 294 P C 1.137 178.419 177.300 -0.029 0.000 1.147 294 P CA 0.661 63.742 63.100 -0.031 0.000 0.790 294 P CB 0.190 31.874 31.700 -0.026 0.000 0.780 295 D N -0.071 120.310 120.400 -0.030 0.000 2.097 295 D HA -0.192 4.450 4.640 0.002 0.000 0.195 295 D C 1.911 178.194 176.300 -0.028 0.000 0.989 295 D CA 1.272 55.255 54.000 -0.028 0.000 0.827 295 D CB -0.245 40.537 40.800 -0.030 0.000 0.966 295 D HN -0.016 nan 8.370 nan 0.000 0.456 296 E N -0.198 119.979 120.200 -0.039 0.000 2.072 296 E HA -0.091 4.260 4.350 0.002 0.000 0.191 296 E C 2.177 178.755 176.600 -0.037 0.000 0.985 296 E CA 0.920 57.293 56.400 -0.045 0.000 0.801 296 E CB -0.182 29.477 29.700 -0.069 0.000 0.750 296 E HN 0.153 nan 8.360 nan 0.000 0.452 297 V N 0.775 120.667 119.914 -0.036 0.000 2.295 297 V HA -0.230 3.891 4.120 0.002 0.000 0.246 297 V C 2.431 178.515 176.094 -0.016 0.000 1.049 297 V CA 2.099 64.381 62.300 -0.030 0.000 1.024 297 V CB -0.539 31.265 31.823 -0.033 0.000 0.648 297 V HN 0.233 nan 8.190 nan 0.000 0.447 298 K N 0.803 121.191 120.400 -0.020 0.000 2.097 298 K HA -0.186 4.135 4.320 0.002 0.000 0.206 298 K C 2.404 179.001 176.600 -0.004 0.000 1.049 298 K CA 1.643 57.919 56.287 -0.019 0.000 0.933 298 K CB -0.227 32.258 32.500 -0.024 0.000 0.717 298 K HN 0.646 nan 8.250 nan 0.000 0.442 299 S N 1.064 116.765 115.700 0.001 0.000 2.419 299 S HA -0.160 4.311 4.470 0.002 0.000 0.233 299 S C 1.978 176.605 174.600 0.044 0.000 1.016 299 S CA 1.120 59.330 58.200 0.016 0.000 0.974 299 S CB -0.600 62.617 63.200 0.027 0.000 0.786 299 S HN 0.382 nan 8.310 nan 0.000 0.492 300 L N 0.912 122.167 121.223 0.054 0.000 1.994 300 L HA 0.128 4.469 4.340 0.002 0.000 0.208 300 L C 2.246 179.266 176.870 0.249 0.000 1.071 300 L CA 1.722 56.637 54.840 0.125 0.000 0.745 300 L CB -1.531 40.575 42.059 0.077 0.000 0.892 300 L HN 0.325 nan 8.230 nan 0.000 0.431 301 L N -0.761 120.556 121.223 0.157 0.000 2.141 301 L HA -0.084 4.257 4.340 0.002 0.000 0.209 301 L C 2.361 179.309 176.870 0.130 0.000 1.094 301 L CA 1.576 56.498 54.840 0.137 0.000 0.763 301 L CB -0.921 41.112 42.059 -0.044 0.000 0.908 301 L HN 0.480 nan 8.230 nan 0.000 0.437 302 L N -0.103 121.153 121.223 0.055 0.000 2.046 302 L HA -0.242 4.099 4.340 0.002 0.000 0.208 302 L C 2.428 179.266 176.870 -0.053 0.000 1.077 302 L CA 2.129 56.965 54.840 -0.007 0.000 0.747 302 L CB -0.783 41.261 42.059 -0.024 0.000 0.896 302 L HN 0.477 nan 8.230 nan 0.000 0.432 303 K N -1.609 118.740 120.400 -0.086 0.000 2.155 303 K HA -0.193 4.129 4.320 0.002 0.000 0.203 303 K C 2.068 178.320 176.600 -0.579 0.000 1.052 303 K CA 0.989 56.965 56.287 -0.518 0.000 0.948 303 K CB -0.213 31.742 32.500 -0.909 0.000 0.728 303 K HN 0.200 nan 8.250 nan 0.000 0.448 304 Y N 1.059 121.370 120.300 0.018 0.000 2.070 304 Y HA -0.264 4.287 4.550 0.002 0.000 0.280 304 Y C 1.925 177.825 175.900 -0.000 0.000 1.148 304 Y CA 1.810 60.078 58.100 0.279 0.000 1.125 304 Y CB -0.066 38.447 38.460 0.088 0.000 0.975 304 Y HN -0.003 nan 8.280 nan 0.000 0.492 305 L N -1.092 120.238 121.223 0.180 0.000 2.179 305 L HA -0.105 4.236 4.340 0.002 0.000 0.208 305 L C -0.243 176.608 176.870 -0.032 0.000 1.096 305 L CA 0.625 55.482 54.840 0.027 0.000 0.779 305 L CB -0.547 41.491 42.059 -0.034 0.000 0.922 305 L HN 0.168 nan 8.230 nan 0.000 0.443 306 D N -0.097 120.259 120.400 -0.073 0.000 3.508 306 D HA -0.155 4.486 4.640 0.002 0.000 0.232 306 D C -0.294 175.966 176.300 -0.067 0.000 1.131 306 D CA 0.343 54.286 54.000 -0.095 0.000 1.040 306 D CB -1.046 39.692 40.800 -0.104 0.000 0.879 306 D HN 0.199 nan 8.370 nan 0.000 0.407 307 C N 1.346 120.608 119.300 -0.062 0.000 3.156 307 C HA 0.688 5.149 4.460 0.002 0.000 0.376 307 C C 0.863 175.825 174.990 -0.047 0.000 2.688 307 C CA -0.817 58.168 59.018 -0.056 0.000 1.735 307 C CB 1.336 29.037 27.740 -0.066 0.000 2.823 307 C HN 0.401 nan 8.230 nan 0.000 0.483 308 R N 0.560 121.033 120.500 -0.045 0.000 2.740 308 R HA 0.315 4.656 4.340 0.002 0.000 0.282 308 R C -1.968 174.312 176.300 -0.033 0.000 0.969 308 R CA -1.286 54.793 56.100 -0.034 0.000 0.918 308 R CB 1.593 31.876 30.300 -0.027 0.000 1.175 308 R HN 0.472 nan 8.270 nan 0.000 0.464 309 P HA -0.194 nan 4.420 nan 0.000 0.218 309 P C 0.554 177.844 177.300 -0.017 0.000 1.148 309 P CA 1.440 64.528 63.100 -0.020 0.000 0.822 309 P CB 0.357 32.049 31.700 -0.014 0.000 0.784 310 Q N -0.288 119.504 119.800 -0.013 0.000 2.124 310 Q HA -0.135 4.206 4.340 0.002 0.000 0.202 310 Q C 1.884 177.878 176.000 -0.009 0.000 0.977 310 Q CA 1.188 56.988 55.803 -0.006 0.000 0.850 310 Q CB -0.461 28.276 28.738 -0.001 0.000 0.901 310 Q HN 0.347 nan 8.270 nan 0.000 0.429 311 D N 0.460 120.843 120.400 -0.029 0.000 2.219 311 D HA -0.103 4.538 4.640 0.002 0.000 0.205 311 D C 1.795 178.054 176.300 -0.068 0.000 0.970 311 D CA 0.642 54.607 54.000 -0.059 0.000 0.851 311 D CB 0.133 40.885 40.800 -0.080 0.000 0.943 311 D HN 0.140 nan 8.370 nan 0.000 0.488 312 L N 0.850 122.046 121.223 -0.046 0.000 2.012 312 L HA -0.151 4.190 4.340 0.002 0.000 0.210 312 L C -0.658 176.189 176.870 -0.038 0.000 1.073 312 L CA 1.829 56.642 54.840 -0.046 0.000 0.748 312 L CB -1.492 40.548 42.059 -0.031 0.000 0.891 312 L HN 0.033 nan 8.230 nan 0.000 0.431 313 P HA -0.129 nan 4.420 nan 0.000 0.222 313 P C 1.332 178.642 177.300 0.017 0.000 1.147 313 P CA 1.030 64.135 63.100 0.009 0.000 0.790 313 P CB 0.078 31.795 31.700 0.028 0.000 0.780 314 R N 0.069 120.557 120.500 -0.021 0.000 2.081 314 R HA -0.103 4.238 4.340 0.002 0.000 0.235 314 R C 2.140 178.352 176.300 -0.146 0.000 1.131 314 R CA 1.377 57.416 56.100 -0.102 0.000 0.960 314 R CB -1.163 28.874 30.300 -0.439 0.000 0.856 314 R HN 0.375 nan 8.270 nan 0.000 0.436 315 E N 0.202 120.321 120.200 -0.136 0.000 2.106 315 E HA -0.146 4.205 4.350 0.002 0.000 0.192 315 E C 1.961 178.518 176.600 -0.073 0.000 0.984 315 E CA 1.456 57.784 56.400 -0.120 0.000 0.806 315 E CB -0.218 29.422 29.700 -0.101 0.000 0.750 315 E HN 0.309 nan 8.360 nan 0.000 0.458 316 V N 0.117 120.005 119.914 -0.044 0.000 2.380 316 V HA -0.162 3.959 4.120 0.002 0.000 0.251 316 V C 1.187 177.272 176.094 -0.015 0.000 1.063 316 V CA 1.193 63.479 62.300 -0.024 0.000 1.055 316 V CB -0.733 31.084 31.823 -0.010 0.000 0.657 316 V HN 0.049 nan 8.190 nan 0.000 0.455 317 L N 1.047 122.267 121.223 -0.005 0.000 2.326 317 L HA 0.467 4.808 4.340 0.002 0.000 0.278 317 L C 0.443 177.305 176.870 -0.014 0.000 1.092 317 L CA 0.185 55.032 54.840 0.011 0.000 0.810 317 L CB 1.347 43.438 42.059 0.054 0.000 1.153 317 L HN 0.250 nan 8.230 nan 0.000 0.439 318 T N -0.614 113.939 114.554 -0.001 0.000 2.910 318 T HA 0.178 4.530 4.350 0.002 0.000 0.279 318 T C 1.312 176.016 174.700 0.007 0.000 0.989 318 T CA 0.141 62.253 62.100 0.020 0.000 0.968 318 T CB 1.388 70.283 68.868 0.044 0.000 1.135 318 T HN 0.844 nan 8.240 nan 0.000 0.562 319 T N 0.711 115.274 114.554 0.015 0.000 2.777 319 T HA -0.074 4.277 4.350 0.002 0.000 0.266 319 T C 0.998 175.698 174.700 -0.000 0.000 1.040 319 T CA 0.790 62.893 62.100 0.005 0.000 1.141 319 T CB -0.732 68.143 68.868 0.011 0.000 0.868 319 T HN 0.750 nan 8.240 nan 0.000 0.444 320 N N 2.905 121.611 118.700 0.009 0.000 2.492 320 N HA 0.082 4.823 4.740 0.002 0.000 0.262 320 N C -2.390 173.111 175.510 -0.015 0.000 1.202 320 N CA -1.392 51.657 53.050 -0.002 0.000 0.926 320 N CB 1.350 39.832 38.487 -0.008 0.000 1.078 320 N HN 0.099 nan 8.380 nan 0.000 0.454 321 P HA -0.127 nan 4.420 nan 0.000 0.219 321 P C 1.427 178.711 177.300 -0.025 0.000 1.150 321 P CA 1.503 64.589 63.100 -0.025 0.000 0.814 321 P CB 0.128 31.818 31.700 -0.016 0.000 0.787 322 R N 0.102 120.587 120.500 -0.024 0.000 2.075 322 R HA -0.048 4.293 4.340 0.002 0.000 0.232 322 R C 2.315 178.601 176.300 -0.024 0.000 1.126 322 R CA 1.224 57.309 56.100 -0.025 0.000 0.963 322 R CB -1.047 29.220 30.300 -0.056 0.000 0.858 322 R HN 0.008 nan 8.270 nan 0.000 0.435 323 R N 0.803 121.293 120.500 -0.016 0.000 2.115 323 R HA -0.002 4.339 4.340 0.002 0.000 0.230 323 R C 2.280 178.563 176.300 -0.030 0.000 1.111 323 R CA 1.147 57.252 56.100 0.009 0.000 0.976 323 R CB -0.261 30.069 30.300 0.051 0.000 0.870 323 R HN 0.418 nan 8.270 nan 0.000 0.445 324 L N -0.092 121.103 121.223 -0.047 0.000 2.046 324 L HA -0.153 4.188 4.340 0.002 0.000 0.208 324 L C 1.917 178.710 176.870 -0.128 0.000 1.077 324 L CA 1.702 56.492 54.840 -0.084 0.000 0.747 324 L CB -0.194 41.818 42.059 -0.078 0.000 0.896 324 L HN 0.226 nan 8.230 nan 0.000 0.432 325 S N -0.389 115.243 115.700 -0.114 0.000 2.436 325 S HA -0.049 4.422 4.470 0.002 0.000 0.228 325 S C 1.830 176.350 174.600 -0.133 0.000 1.014 325 S CA 0.425 58.526 58.200 -0.166 0.000 0.950 325 S CB -0.090 63.040 63.200 -0.117 0.000 0.784 325 S HN 0.385 nan 8.310 nan 0.000 0.504 326 I N 2.229 122.756 120.570 -0.071 0.000 2.226 326 I HA -0.143 4.028 4.170 0.002 0.000 0.245 326 I C 1.725 177.790 176.117 -0.086 0.000 1.100 326 I CA 1.520 62.789 61.300 -0.052 0.000 1.374 326 I CB -0.762 37.234 38.000 -0.007 0.000 1.057 326 I HN 0.281 nan 8.210 nan 0.000 0.413 327 I N 0.941 121.451 120.570 -0.099 0.000 2.252 327 I HA -0.246 3.925 4.170 0.002 0.000 0.245 327 I C 2.744 178.762 176.117 -0.165 0.000 1.102 327 I CA 1.244 62.471 61.300 -0.121 0.000 1.385 327 I CB -0.612 37.316 38.000 -0.120 0.000 1.064 327 I HN 0.184 nan 8.210 nan 0.000 0.414 328 A N 0.629 123.316 122.820 -0.223 0.000 1.908 328 A HA -0.280 4.042 4.320 0.002 0.000 0.218 328 A C 2.222 179.643 177.584 -0.272 0.000 1.181 328 A CA 2.176 54.021 52.037 -0.319 0.000 0.627 328 A CB -0.585 18.060 19.000 -0.592 0.000 0.818 328 A HN 0.451 nan 8.150 nan 0.000 0.445 329 E N 0.425 120.495 120.200 -0.216 0.000 2.077 329 E HA -0.124 4.228 4.350 0.002 0.000 0.193 329 E C 2.100 178.635 176.600 -0.110 0.000 0.989 329 E CA 1.868 58.188 56.400 -0.133 0.000 0.800 329 E CB -0.410 29.245 29.700 -0.075 0.000 0.746 329 E HN 0.468 nan 8.360 nan 0.000 0.452 330 S N -0.332 115.295 115.700 -0.121 0.000 2.368 330 S HA -0.108 4.363 4.470 0.002 0.000 0.225 330 S C 1.787 176.319 174.600 -0.113 0.000 1.030 330 S CA 1.143 59.266 58.200 -0.127 0.000 0.999 330 S CB -0.284 62.818 63.200 -0.164 0.000 0.844 330 S HN 0.236 nan 8.310 nan 0.000 0.459 331 I N 2.438 122.935 120.570 -0.122 0.000 2.394 331 I HA -0.165 4.006 4.170 0.002 0.000 0.251 331 I C 2.436 178.504 176.117 -0.082 0.000 1.136 331 I CA 1.021 62.257 61.300 -0.106 0.000 1.425 331 I CB -0.550 37.372 38.000 -0.131 0.000 1.079 331 I HN 0.316 nan 8.210 nan 0.000 0.425 332 R N 1.048 121.498 120.500 -0.083 0.000 2.096 332 R HA -0.179 4.162 4.340 0.002 0.000 0.235 332 R C 1.581 177.857 176.300 -0.040 0.000 1.127 332 R CA 1.829 57.898 56.100 -0.053 0.000 0.968 332 R CB -1.171 29.104 30.300 -0.041 0.000 0.861 332 R HN 0.497 nan 8.270 nan 0.000 0.440 333 D N 0.155 120.528 120.400 -0.045 0.000 2.183 333 D HA -0.010 4.631 4.640 0.002 0.000 0.203 333 D C 1.126 177.414 176.300 -0.021 0.000 0.969 333 D CA 1.339 55.321 54.000 -0.031 0.000 0.842 333 D CB 0.058 40.839 40.800 -0.033 0.000 0.957 333 D HN 0.422 nan 8.370 nan 0.000 0.484 334 G N -0.143 108.640 108.800 -0.028 0.000 3.187 334 G HA2 0.540 4.501 3.960 0.002 0.000 0.175 334 G HA3 0.540 4.501 3.960 0.002 0.000 0.175 334 G C -1.017 173.873 174.900 -0.016 0.000 1.112 334 G CA -0.661 44.440 45.100 0.001 0.000 0.821 334 G HN 0.081 nan 8.290 nan 0.000 0.636 335 L N 0.236 121.457 121.223 -0.003 0.000 2.313 335 L HA 0.709 5.050 4.340 0.002 0.000 0.268 335 L C 0.150 176.932 176.870 -0.146 0.000 1.010 335 L CA -1.160 53.652 54.840 -0.047 0.000 0.814 335 L CB 2.231 44.287 42.059 -0.004 0.000 1.304 335 L HN 0.542 nan 8.230 nan 0.000 0.441 336 A N 1.157 123.836 122.820 -0.236 0.000 3.016 336 A HA 0.598 4.919 4.320 0.002 0.000 0.303 336 A C 0.065 177.335 177.584 -0.523 0.000 1.507 336 A CA -0.058 51.707 52.037 -0.453 0.000 1.196 336 A CB -0.577 18.178 19.000 -0.408 0.000 1.169 336 A HN 0.827 nan 8.150 nan 0.000 0.544 337 T N -3.760 110.528 114.554 -0.442 0.000 2.627 337 T HA 0.321 4.672 4.350 0.002 0.000 0.294 337 T C 0.536 175.347 174.700 0.185 0.000 1.230 337 T CA -0.296 61.706 62.100 -0.162 0.000 1.084 337 T CB 0.031 68.903 68.868 0.006 0.000 1.693 337 T HN 0.340 nan 8.240 nan 0.000 0.465 338 W N 2.075 123.585 121.300 0.351 0.000 2.358 338 W HA -0.040 4.622 4.660 0.002 0.000 0.303 338 W C 2.433 179.059 176.519 0.178 0.000 1.208 338 W CA 1.548 59.073 57.345 0.301 0.000 1.274 338 W CB -0.266 29.276 29.460 0.137 0.000 1.138 338 W HN 0.872 nan 8.180 nan 0.000 0.515 339 D N -0.355 120.229 120.400 0.306 0.000 2.117 339 D HA -0.241 4.400 4.640 0.002 0.000 0.197 339 D C 1.661 178.013 176.300 0.087 0.000 0.987 339 D CA 1.616 55.685 54.000 0.114 0.000 0.829 339 D CB -1.301 39.577 40.800 0.129 0.000 0.961 339 D HN 0.092 nan 8.370 nan 0.000 0.460 340 N N 0.202 118.999 118.700 0.161 0.000 2.058 340 N HA -0.170 4.571 4.740 0.002 0.000 0.191 340 N C 1.750 177.347 175.510 0.146 0.000 1.037 340 N CA 1.227 54.362 53.050 0.142 0.000 0.848 340 N CB -0.539 37.835 38.487 -0.187 0.000 1.021 340 N HN 0.326 nan 8.380 nan 0.000 0.422 341 W N 1.476 122.805 121.300 0.049 0.000 2.374 341 W HA -0.044 4.617 4.660 0.002 0.000 0.288 341 W C 2.184 178.733 176.519 0.049 0.000 1.218 341 W CA 0.589 57.953 57.345 0.031 0.000 1.245 341 W CB -0.481 28.971 29.460 -0.014 0.000 1.126 341 W HN 0.187 nan 8.180 nan 0.000 0.545 342 K N 0.425 120.977 120.400 0.254 0.000 2.063 342 K HA -0.187 4.134 4.320 0.002 0.000 0.208 342 K C 1.638 178.247 176.600 0.015 0.000 1.048 342 K CA 1.536 57.875 56.287 0.088 0.000 0.928 342 K CB -0.782 31.689 32.500 -0.048 0.000 0.713 342 K HN 0.240 nan 8.250 nan 0.000 0.442 343 H N -0.460 118.678 119.070 0.113 0.000 2.326 343 H HA -0.074 4.483 4.556 0.002 0.000 0.301 343 H C 1.463 176.832 175.328 0.068 0.000 1.081 343 H CA 1.375 57.467 56.048 0.072 0.000 1.334 343 H CB -0.083 29.706 29.762 0.044 0.000 1.385 343 H HN 0.102 nan 8.280 nan 0.000 0.504 344 V N 1.170 121.214 119.914 0.218 0.000 3.983 344 V HA -0.327 3.794 4.120 0.002 0.000 0.229 344 V C -0.436 175.724 176.094 0.109 0.000 0.420 344 V CA 1.220 63.611 62.300 0.152 0.000 0.955 344 V CB -2.155 29.741 31.823 0.122 0.000 1.033 344 V HN 0.853 nan 8.190 nan 0.000 1.286 345 N N -1.691 117.072 118.700 0.105 0.000 2.714 345 N HA -0.246 4.495 4.740 0.002 0.000 0.253 345 N C 0.852 176.394 175.510 0.053 0.000 1.024 345 N CA 1.347 54.425 53.050 0.046 0.000 0.726 345 N CB -1.495 37.000 38.487 0.014 0.000 0.908 345 N HN 1.173 nan 8.380 nan 0.000 0.542 346 C N -3.593 115.741 119.300 0.056 0.000 2.590 346 C HA 0.206 4.668 4.460 0.002 0.000 0.272 346 C C 2.196 177.208 174.990 0.035 0.000 1.338 346 C CA 0.289 59.330 59.018 0.038 0.000 1.746 346 C CB -0.232 27.527 27.740 0.033 0.000 2.020 346 C HN 0.504 nan 8.230 nan 0.000 0.531 347 D N 1.847 122.264 120.400 0.029 0.000 2.092 347 D HA -0.158 4.483 4.640 0.002 0.000 0.193 347 D C 2.174 178.492 176.300 0.030 0.000 0.994 347 D CA 1.601 55.614 54.000 0.022 0.000 0.828 347 D CB -0.115 40.682 40.800 -0.004 0.000 0.963 347 D HN 0.311 nan 8.370 nan 0.000 0.450 348 K N -0.271 120.149 120.400 0.033 0.000 2.025 348 K HA -0.058 4.263 4.320 0.002 0.000 0.207 348 K C 2.306 178.957 176.600 0.085 0.000 1.049 348 K CA 0.466 56.783 56.287 0.051 0.000 0.933 348 K CB -0.662 31.867 32.500 0.048 0.000 0.714 348 K HN 0.204 nan 8.250 nan 0.000 0.438 349 L N 0.864 122.158 121.223 0.119 0.000 2.083 349 L HA -0.121 4.220 4.340 0.002 0.000 0.209 349 L C 2.365 179.307 176.870 0.120 0.000 1.083 349 L CA 1.633 56.608 54.840 0.226 0.000 0.752 349 L CB -1.222 41.039 42.059 0.337 0.000 0.899 349 L HN 0.132 nan 8.230 nan 0.000 0.433 350 T N -1.346 113.227 114.554 0.031 0.000 2.708 350 T HA -0.190 4.161 4.350 0.002 0.000 0.266 350 T C 1.868 176.585 174.700 0.028 0.000 1.037 350 T CA 1.968 64.063 62.100 -0.008 0.000 1.146 350 T CB -0.410 68.456 68.868 -0.004 0.000 0.865 350 T HN 0.364 nan 8.240 nan 0.000 0.435 351 T N 2.082 116.664 114.554 0.046 0.000 2.788 351 T HA 0.044 4.395 4.350 0.002 0.000 0.268 351 T C 1.988 176.728 174.700 0.066 0.000 1.044 351 T CA 0.847 62.977 62.100 0.049 0.000 1.139 351 T CB -0.405 68.492 68.868 0.047 0.000 0.867 351 T HN 0.339 nan 8.240 nan 0.000 0.454 352 I N 0.407 121.036 120.570 0.098 0.000 2.179 352 I HA -0.124 4.047 4.170 0.002 0.000 0.242 352 I C 2.315 178.512 176.117 0.133 0.000 1.088 352 I CA 1.011 62.382 61.300 0.118 0.000 1.357 352 I CB -0.345 37.748 38.000 0.154 0.000 1.051 352 I HN 0.153 nan 8.210 nan 0.000 0.409 353 I N 0.913 121.594 120.570 0.185 0.000 2.315 353 I HA -0.245 3.926 4.170 0.002 0.000 0.248 353 I C 2.451 178.598 176.117 0.051 0.000 1.117 353 I CA 1.667 63.059 61.300 0.154 0.000 1.404 353 I CB -0.438 37.590 38.000 0.046 0.000 1.071 353 I HN 0.160 nan 8.210 nan 0.000 0.419 354 E N -0.139 120.085 120.200 0.041 0.000 2.085 354 E HA -0.254 4.097 4.350 0.002 0.000 0.194 354 E C 2.315 178.932 176.600 0.027 0.000 0.994 354 E CA 1.585 58.002 56.400 0.029 0.000 0.801 354 E CB -0.581 29.137 29.700 0.031 0.000 0.743 354 E HN 0.510 nan 8.360 nan 0.000 0.453 355 S N 0.451 116.173 115.700 0.036 0.000 2.399 355 S HA -0.143 4.328 4.470 0.002 0.000 0.231 355 S C 2.147 176.760 174.600 0.022 0.000 1.022 355 S CA 1.462 59.681 58.200 0.032 0.000 0.983 355 S CB -0.125 63.099 63.200 0.040 0.000 0.803 355 S HN 0.206 nan 8.310 nan 0.000 0.480 356 S N 0.723 116.430 115.700 0.012 0.000 2.382 356 S HA -0.016 4.455 4.470 0.002 0.000 0.228 356 S C 1.849 176.428 174.600 -0.036 0.000 1.027 356 S CA 1.079 59.266 58.200 -0.022 0.000 0.991 356 S CB -0.543 62.618 63.200 -0.066 0.000 0.823 356 S HN 0.543 nan 8.310 nan 0.000 0.469 357 L N 2.598 123.801 121.223 -0.032 0.000 2.083 357 L HA -0.071 4.271 4.340 0.002 0.000 0.209 357 L C 2.152 179.023 176.870 0.003 0.000 1.083 357 L CA 1.901 56.724 54.840 -0.029 0.000 0.752 357 L CB -1.797 40.264 42.059 0.002 0.000 0.899 357 L HN 0.519 nan 8.230 nan 0.000 0.433 358 N N -0.519 118.188 118.700 0.011 0.000 2.223 358 N HA -0.184 4.557 4.740 0.002 0.000 0.185 358 N C 1.944 177.460 175.510 0.009 0.000 1.016 358 N CA 1.362 54.422 53.050 0.017 0.000 0.863 358 N CB 0.218 38.717 38.487 0.020 0.000 0.983 358 N HN 0.273 nan 8.380 nan 0.000 0.429 359 V N 1.005 120.923 119.914 0.007 0.000 2.407 359 V HA -0.129 3.993 4.120 0.002 0.000 0.248 359 V C 0.956 177.036 176.094 -0.024 0.000 1.055 359 V CA 1.172 63.472 62.300 0.001 0.000 1.049 359 V CB -0.087 31.748 31.823 0.021 0.000 0.662 359 V HN 0.111 nan 8.190 nan 0.000 0.455 360 L N 0.150 121.357 121.223 -0.026 0.000 2.488 360 L HA 0.379 4.720 4.340 0.002 0.000 0.249 360 L C 0.237 177.081 176.870 -0.042 0.000 1.151 360 L CA -0.111 54.685 54.840 -0.072 0.000 0.806 360 L CB 0.160 42.196 42.059 -0.038 0.000 1.261 360 L HN 0.410 nan 8.230 nan 0.000 0.484 361 E N 0.778 120.939 120.200 -0.065 0.000 2.115 361 E HA 0.267 4.618 4.350 0.002 0.000 0.282 361 E C -2.294 174.409 176.600 0.172 0.000 0.987 361 E CA -1.722 54.707 56.400 0.047 0.000 0.797 361 E CB 1.099 30.828 29.700 0.049 0.000 1.086 361 E HN 0.273 nan 8.360 nan 0.000 0.397 362 P HA -0.280 nan 4.420 nan 0.000 0.216 362 P C 0.942 178.300 177.300 0.097 0.000 1.150 362 P CA 1.859 65.021 63.100 0.103 0.000 0.837 362 P CB 0.203 31.942 31.700 0.065 0.000 0.786 363 A N 0.288 123.165 122.820 0.096 0.000 1.832 363 A HA -0.202 4.120 4.320 0.002 0.000 0.214 363 A C 2.441 180.041 177.584 0.028 0.000 1.200 363 A CA 1.938 54.008 52.037 0.055 0.000 0.610 363 A CB -1.420 17.612 19.000 0.053 0.000 0.842 363 A HN 0.215 nan 8.150 nan 0.000 0.444 364 E N -1.817 118.419 120.200 0.059 0.000 2.021 364 E HA -0.114 4.237 4.350 0.002 0.000 0.189 364 E C 1.921 178.396 176.600 -0.208 0.000 0.980 364 E CA 0.919 57.252 56.400 -0.112 0.000 0.803 364 E CB -0.208 29.364 29.700 -0.214 0.000 0.766 364 E HN 0.666 nan 8.360 nan 0.000 0.449 365 Y N 0.190 120.509 120.300 0.031 0.000 2.163 365 Y HA -0.109 4.442 4.550 0.002 0.000 0.288 365 Y C 2.499 178.423 175.900 0.039 0.000 1.136 365 Y CA 1.371 59.514 58.100 0.071 0.000 1.147 365 Y CB -0.356 38.167 38.460 0.105 0.000 0.987 365 Y HN 0.008 nan 8.280 nan 0.000 0.509 366 R N 1.131 121.750 120.500 0.198 0.000 2.081 366 R HA -0.108 4.233 4.340 0.002 0.000 0.235 366 R C 1.891 178.228 176.300 0.062 0.000 1.131 366 R CA 1.516 57.710 56.100 0.156 0.000 0.960 366 R CB -0.255 30.114 30.300 0.115 0.000 0.856 366 R HN -0.001 nan 8.270 nan 0.000 0.436 367 K N -0.266 120.106 120.400 -0.046 0.000 2.057 367 K HA -0.075 4.246 4.320 0.002 0.000 0.206 367 K C 2.014 178.418 176.600 -0.328 0.000 1.050 367 K CA 1.599 57.797 56.287 -0.147 0.000 0.935 367 K CB -0.277 32.136 32.500 -0.145 0.000 0.715 367 K HN 0.205 nan 8.250 nan 0.000 0.439 368 M N -0.115 119.166 119.600 -0.530 0.000 2.117 368 M HA -0.115 4.366 4.480 0.002 0.000 0.262 368 M C 1.955 177.537 176.300 -1.196 0.000 1.065 368 M CA 1.246 55.805 55.300 -1.235 0.000 1.114 368 M CB -0.566 30.918 32.600 -1.860 0.000 1.361 368 M HN 0.122 nan 8.290 nan 0.000 0.408 369 F N 0.560 120.145 119.950 -0.608 0.000 2.186 369 F HA -0.174 4.354 4.527 0.002 0.000 0.299 369 F C 2.002 177.733 175.800 -0.116 0.000 1.090 369 F CA 1.647 59.537 58.000 -0.182 0.000 1.307 369 F CB -0.589 38.423 39.000 0.020 0.000 1.019 369 F HN 0.176 nan 8.300 nan 0.000 0.489 370 D N 0.266 120.383 120.400 -0.472 0.000 2.182 370 D HA -0.165 4.476 4.640 0.002 0.000 0.201 370 D C 2.130 178.162 176.300 -0.447 0.000 0.986 370 D CA 0.929 54.636 54.000 -0.489 0.000 0.847 370 D CB -0.098 40.586 40.800 -0.193 0.000 0.942 370 D HN 0.204 nan 8.370 nan 0.000 0.467 371 R N 0.282 120.568 120.500 -0.356 0.000 2.115 371 R HA -0.058 4.283 4.340 0.002 0.000 0.230 371 R C 2.492 178.768 176.300 -0.040 0.000 1.111 371 R CA 0.541 56.531 56.100 -0.184 0.000 0.976 371 R CB -0.976 29.223 30.300 -0.168 0.000 0.870 371 R HN 0.432 nan 8.270 nan 0.000 0.445 372 L N -0.326 120.841 121.223 -0.094 0.000 2.349 372 L HA -0.080 4.261 4.340 0.002 0.000 0.220 372 L C 2.313 179.361 176.870 0.296 0.000 1.130 372 L CA 1.501 56.442 54.840 0.168 0.000 0.791 372 L CB -0.460 41.616 42.059 0.028 0.000 0.918 372 L HN -0.012 nan 8.230 nan 0.000 0.444 373 S N 0.558 116.272 115.700 0.023 0.000 2.359 373 S HA -0.137 4.334 4.470 0.002 0.000 0.222 373 S C 1.157 175.839 174.600 0.136 0.000 1.038 373 S CA 1.290 59.509 58.200 0.032 0.000 1.051 373 S CB -0.518 62.635 63.200 -0.078 0.000 0.944 373 S HN 0.337 nan 8.310 nan 0.000 0.433 374 V N 3.105 123.072 119.914 0.087 0.000 2.242 374 V HA 0.350 4.471 4.120 0.002 0.000 0.242 374 V C -0.750 175.308 176.094 -0.060 0.000 1.240 374 V CA 0.349 62.672 62.300 0.037 0.000 1.211 374 V CB -1.571 30.280 31.823 0.047 0.000 1.338 374 V HN 0.366 nan 8.190 nan 0.000 0.499 375 F N 3.313 123.380 119.950 0.195 0.000 2.719 375 F HA 0.487 5.015 4.527 0.002 0.000 0.309 375 F C -2.659 173.084 175.800 -0.095 0.000 1.138 375 F CA -2.090 56.036 58.000 0.210 0.000 0.943 375 F CB 2.242 41.375 39.000 0.221 0.000 1.304 375 F HN 0.114 nan 8.300 nan 0.000 0.445 376 P HA 0.243 nan 4.420 nan 0.000 0.276 376 P C -2.624 174.567 177.300 -0.181 0.000 1.230 376 P CA -1.063 61.761 63.100 -0.460 0.000 0.776 376 P CB 0.349 31.299 31.700 -1.251 0.000 0.888 377 P HA 0.056 nan 4.420 nan 0.000 0.282 377 P C -0.195 177.090 177.300 -0.025 0.000 1.249 377 P CA -0.033 63.044 63.100 -0.038 0.000 0.806 377 P CB 0.546 32.229 31.700 -0.028 0.000 0.984 378 S N -0.821 114.897 115.700 0.031 0.000 3.473 378 S HA -0.173 4.298 4.470 0.002 0.000 0.339 378 S C 0.393 175.034 174.600 0.067 0.000 1.148 378 S CA 1.295 59.525 58.200 0.050 0.000 0.969 378 S CB -1.870 61.351 63.200 0.034 0.000 0.936 378 S HN 0.937 nan 8.310 nan 0.000 0.530 379 A N 1.362 124.234 122.820 0.086 0.000 2.363 379 A HA 0.555 4.876 4.320 0.002 0.000 0.296 379 A C 0.085 177.842 177.584 0.290 0.000 1.237 379 A CA -0.485 51.659 52.037 0.179 0.000 0.773 379 A CB 0.483 19.559 19.000 0.125 0.000 1.153 379 A HN 0.533 nan 8.150 nan 0.000 0.473 380 H N 4.483 123.641 119.070 0.147 0.000 3.243 380 H HA 0.009 4.566 4.556 0.002 0.000 0.267 380 H C -0.384 175.045 175.328 0.169 0.000 0.875 380 H CA 1.241 57.368 56.048 0.132 0.000 1.413 380 H CB 0.106 29.931 29.762 0.105 0.000 1.459 380 H HN 0.660 nan 8.280 nan 0.000 0.536 381 I N 4.759 125.328 120.570 -0.002 0.000 2.406 381 I HA 0.499 4.670 4.170 0.002 0.000 0.290 381 I C -2.883 173.170 176.117 -0.107 0.000 0.999 381 I CA -2.760 58.645 61.300 0.175 0.000 1.124 381 I CB 2.397 40.690 38.000 0.488 0.000 1.289 381 I HN 0.271 nan 8.210 nan 0.000 0.441 382 P HA 0.082 nan 4.420 nan 0.000 0.272 382 P C 0.956 178.209 177.300 -0.078 0.000 1.230 382 P CA -0.117 62.914 63.100 -0.114 0.000 0.788 382 P CB 0.734 32.452 31.700 0.030 0.000 0.949 383 T N -0.853 113.665 114.554 -0.061 0.000 2.788 383 T HA -0.187 4.164 4.350 0.002 0.000 0.268 383 T C 1.829 176.513 174.700 -0.027 0.000 1.044 383 T CA 0.973 63.036 62.100 -0.062 0.000 1.139 383 T CB -1.087 67.748 68.868 -0.055 0.000 0.867 383 T HN 0.338 nan 8.240 nan 0.000 0.454 384 I N 0.637 121.225 120.570 0.029 0.000 2.264 384 I HA -0.124 4.047 4.170 0.002 0.000 0.248 384 I C 2.297 178.452 176.117 0.064 0.000 1.111 384 I CA 1.390 62.744 61.300 0.090 0.000 1.382 384 I CB -0.131 37.969 38.000 0.166 0.000 1.060 384 I HN 0.263 nan 8.210 nan 0.000 0.418 385 L N -0.002 121.198 121.223 -0.038 0.000 2.093 385 L HA -0.222 4.119 4.340 0.002 0.000 0.208 385 L C 2.457 179.343 176.870 0.028 0.000 1.085 385 L CA 0.713 55.444 54.840 -0.182 0.000 0.755 385 L CB -0.670 41.041 42.059 -0.579 0.000 0.904 385 L HN 0.381 nan 8.230 nan 0.000 0.435 386 L N -0.529 120.704 121.223 0.017 0.000 2.083 386 L HA -0.171 4.170 4.340 0.002 0.000 0.209 386 L C 2.536 179.437 176.870 0.052 0.000 1.083 386 L CA 1.696 56.551 54.840 0.024 0.000 0.752 386 L CB -0.560 41.429 42.059 -0.117 0.000 0.899 386 L HN 0.247 nan 8.230 nan 0.000 0.433 387 S N 0.171 115.846 115.700 -0.043 0.000 2.399 387 S HA -0.155 4.316 4.470 0.002 0.000 0.231 387 S C 1.989 176.625 174.600 0.059 0.000 1.022 387 S CA 1.038 59.108 58.200 -0.217 0.000 0.983 387 S CB -0.159 63.027 63.200 -0.024 0.000 0.803 387 S HN 0.408 nan 8.310 nan 0.000 0.480 388 L N 0.848 122.166 121.223 0.157 0.000 1.994 388 L HA -0.123 4.219 4.340 0.002 0.000 0.208 388 L C 2.232 179.179 176.870 0.128 0.000 1.071 388 L CA 1.017 55.951 54.840 0.157 0.000 0.745 388 L CB -0.588 41.463 42.059 -0.014 0.000 0.892 388 L HN 0.307 nan 8.230 nan 0.000 0.431 389 I N -1.140 119.516 120.570 0.144 0.000 2.233 389 I HA -0.300 3.871 4.170 0.002 0.000 0.243 389 I C 2.322 178.521 176.117 0.137 0.000 1.093 389 I CA 1.490 62.883 61.300 0.155 0.000 1.380 389 I CB -1.117 37.126 38.000 0.405 0.000 1.067 389 I HN 0.565 nan 8.210 nan 0.000 0.413 390 W N 1.511 122.782 121.300 -0.048 0.000 2.388 390 W HA -0.151 4.510 4.660 0.002 0.000 0.294 390 W C 0.354 176.799 176.519 -0.123 0.000 1.212 390 W CA 0.379 57.639 57.345 -0.142 0.000 1.271 390 W CB -0.220 29.076 29.460 -0.272 0.000 1.126 390 W HN -0.107 nan 8.180 nan 0.000 0.535 391 F N 2.733 122.798 119.950 0.192 0.000 2.504 391 F HA -0.041 4.487 4.527 0.002 0.000 0.365 391 F C 1.134 176.931 175.800 -0.004 0.000 1.140 391 F CA 0.682 58.742 58.000 0.100 0.000 1.077 391 F CB -0.022 39.023 39.000 0.074 0.000 1.106 391 F HN -0.221 nan 8.300 nan 0.000 0.578 392 D N 1.591 122.065 120.400 0.124 0.000 2.262 392 D HA 0.071 4.712 4.640 0.002 0.000 0.212 392 D C 0.581 176.927 176.300 0.077 0.000 0.964 392 D CA 0.935 54.959 54.000 0.040 0.000 0.875 392 D CB 0.405 41.169 40.800 -0.061 0.000 0.996 392 D HN 0.142 nan 8.370 nan 0.000 0.497 393 V N 0.942 120.941 119.914 0.142 0.000 3.113 393 V HA 0.511 4.633 4.120 0.002 0.000 0.316 393 V C -0.164 176.065 176.094 0.225 0.000 1.125 393 V CA -1.107 61.265 62.300 0.120 0.000 1.026 393 V CB 2.643 34.525 31.823 0.098 0.000 1.080 393 V HN 0.009 nan 8.190 nan 0.000 0.444 394 I N -0.139 120.479 120.570 0.079 0.000 2.647 394 I HA 0.895 5.067 4.170 0.002 0.000 0.295 394 I C -0.504 175.652 176.117 0.065 0.000 1.078 394 I CA -0.566 60.703 61.300 -0.052 0.000 1.048 394 I CB 2.112 39.755 38.000 -0.596 0.000 1.239 394 I HN 0.519 nan 8.210 nan 0.000 0.421 395 K N 2.357 122.953 120.400 0.326 0.000 9.902 395 K HA -0.091 4.230 4.320 0.002 0.000 1.103 395 K C 0.673 177.469 176.600 0.327 0.000 1.030 395 K CA 0.514 56.962 56.287 0.269 0.000 0.801 395 K CB -0.816 31.748 32.500 0.107 0.000 1.490 395 K HN 0.930 nan 8.250 nan 0.000 0.627 396 S N 0.620 116.422 115.700 0.169 0.000 2.537 396 S HA -0.125 4.346 4.470 0.002 0.000 0.240 396 S C 0.988 175.642 174.600 0.090 0.000 0.981 396 S CA 1.973 60.235 58.200 0.103 0.000 0.948 396 S CB -0.237 63.002 63.200 0.065 0.000 0.759 396 S HN 0.415 nan 8.310 nan 0.000 0.531 397 D N 2.384 122.864 120.400 0.133 0.000 2.123 397 D HA -0.119 4.522 4.640 0.002 0.000 0.196 397 D C 2.308 178.679 176.300 0.119 0.000 0.992 397 D CA 1.615 55.687 54.000 0.120 0.000 0.833 397 D CB -0.869 40.014 40.800 0.140 0.000 0.954 397 D HN 0.578 nan 8.370 nan 0.000 0.455 398 V N -1.371 118.638 119.914 0.157 0.000 2.427 398 V HA -0.213 3.909 4.120 0.002 0.000 0.248 398 V C 2.175 178.111 176.094 -0.263 0.000 1.051 398 V CA 1.126 63.507 62.300 0.134 0.000 1.048 398 V CB -0.576 31.248 31.823 0.001 0.000 0.666 398 V HN 0.010 nan 8.190 nan 0.000 0.456 399 M N 0.499 119.995 119.600 -0.173 0.000 2.086 399 M HA -0.064 4.417 4.480 0.002 0.000 0.261 399 M C 2.321 178.531 176.300 -0.150 0.000 1.067 399 M CA 1.814 56.991 55.300 -0.205 0.000 1.116 399 M CB -1.291 31.263 32.600 -0.077 0.000 1.348 399 M HN 0.411 nan 8.290 nan 0.000 0.407 400 V N -0.289 119.605 119.914 -0.034 0.000 2.379 400 V HA -0.150 3.971 4.120 0.002 0.000 0.245 400 V C 2.649 178.802 176.094 0.099 0.000 1.044 400 V CA 1.080 63.405 62.300 0.041 0.000 1.036 400 V CB -0.696 31.178 31.823 0.085 0.000 0.664 400 V HN 0.201 nan 8.190 nan 0.000 0.453 401 V N 1.040 121.003 119.914 0.082 0.000 2.407 401 V HA -0.214 3.907 4.120 0.002 0.000 0.248 401 V C 2.591 178.845 176.094 0.266 0.000 1.055 401 V CA 2.117 64.463 62.300 0.077 0.000 1.049 401 V CB -0.706 31.035 31.823 -0.136 0.000 0.662 401 V HN 0.576 nan 8.190 nan 0.000 0.455 402 V N -0.888 118.930 119.914 -0.161 0.000 2.515 402 V HA -0.213 3.908 4.120 0.002 0.000 0.250 402 V C 2.274 178.272 176.094 -0.161 0.000 1.058 402 V CA 2.365 64.318 62.300 -0.579 0.000 1.064 402 V CB -1.100 29.813 31.823 -1.515 0.000 0.675 402 V HN 0.557 nan 8.190 nan 0.000 0.461 403 N N 1.623 120.319 118.700 -0.006 0.000 2.104 403 N HA -0.249 4.492 4.740 0.002 0.000 0.190 403 N C 1.939 177.543 175.510 0.157 0.000 1.024 403 N CA 2.332 55.457 53.050 0.125 0.000 0.853 403 N CB -0.370 38.173 38.487 0.093 0.000 1.008 403 N HN 0.702 nan 8.380 nan 0.000 0.424 404 K N -0.287 120.231 120.400 0.196 0.000 2.097 404 K HA -0.117 4.204 4.320 0.002 0.000 0.206 404 K C 1.887 178.509 176.600 0.037 0.000 1.049 404 K CA 0.802 57.140 56.287 0.085 0.000 0.933 404 K CB -0.116 32.378 32.500 -0.010 0.000 0.717 404 K HN 0.092 nan 8.250 nan 0.000 0.442 405 L N 0.537 121.862 121.223 0.169 0.000 2.095 405 L HA -0.062 4.279 4.340 0.002 0.000 0.204 405 L C 1.904 178.908 176.870 0.223 0.000 1.080 405 L CA 1.831 56.779 54.840 0.181 0.000 0.759 405 L CB -0.864 41.336 42.059 0.234 0.000 0.914 405 L HN 0.301 nan 8.230 nan 0.000 0.439 406 H N -0.417 118.713 119.070 0.101 0.000 2.421 406 H HA -0.145 4.412 4.556 0.002 0.000 0.298 406 H C 1.830 177.226 175.328 0.113 0.000 1.087 406 H CA 1.057 57.151 56.048 0.077 0.000 1.330 406 H CB 0.424 30.184 29.762 -0.003 0.000 1.388 406 H HN 0.318 nan 8.280 nan 0.000 0.526 407 K N -0.237 120.315 120.400 0.253 0.000 2.281 407 K HA -0.209 4.112 4.320 0.002 0.000 0.203 407 K C 1.580 178.435 176.600 0.425 0.000 1.046 407 K CA 1.161 57.625 56.287 0.295 0.000 0.938 407 K CB -0.096 32.671 32.500 0.445 0.000 0.737 407 K HN 0.368 nan 8.250 nan 0.000 0.458 408 Y N 0.434 120.865 120.300 0.219 0.000 2.153 408 Y HA -0.193 4.358 4.550 0.002 0.000 0.289 408 Y C 1.747 177.835 175.900 0.313 0.000 1.127 408 Y CA 1.156 59.349 58.100 0.155 0.000 1.131 408 Y CB 0.499 38.958 38.460 -0.002 0.000 0.995 408 Y HN 0.014 nan 8.280 nan 0.000 0.505 409 S N -2.924 113.037 115.700 0.435 0.000 3.546 409 S HA 0.057 4.528 4.470 0.002 0.000 0.282 409 S C -1.256 173.465 174.600 0.202 0.000 1.214 409 S CA -0.091 58.280 58.200 0.284 0.000 1.829 409 S CB -1.155 62.231 63.200 0.309 0.000 1.340 409 S HN -0.020 nan 8.310 nan 0.000 0.277 410 L N 3.077 124.376 121.223 0.125 0.000 3.034 410 L HA 0.317 4.658 4.340 0.002 0.000 0.245 410 L C 1.499 178.425 176.870 0.094 0.000 1.295 410 L CA -0.033 54.876 54.840 0.115 0.000 1.068 410 L CB 0.361 42.483 42.059 0.104 0.000 1.426 410 L HN 0.505 nan 8.230 nan 0.000 0.531 411 V N -3.161 116.791 119.914 0.063 0.000 2.231 411 V HA 0.079 4.200 4.120 0.002 0.000 0.240 411 V C 0.842 177.033 176.094 0.161 0.000 1.039 411 V CA 0.928 63.243 62.300 0.024 0.000 0.998 411 V CB -0.232 31.565 31.823 -0.043 0.000 0.639 411 V HN 0.284 nan 8.190 nan 0.000 0.451 412 E N 0.044 120.393 120.200 0.249 0.000 2.343 412 E HA 0.626 4.978 4.350 0.002 0.000 0.270 412 E C -1.173 175.613 176.600 0.310 0.000 0.895 412 E CA -0.633 55.953 56.400 0.310 0.000 0.767 412 E CB 2.867 32.760 29.700 0.320 0.000 1.248 412 E HN 0.486 nan 8.360 nan 0.000 0.440 413 K N 1.343 121.844 120.400 0.170 0.000 2.371 413 K HA 0.303 4.625 4.320 0.002 0.000 0.251 413 K C -1.241 175.307 176.600 -0.087 0.000 0.934 413 K CA -0.518 55.776 56.287 0.012 0.000 0.798 413 K CB 1.383 33.913 32.500 0.050 0.000 1.204 413 K HN 0.471 nan 8.250 nan 0.000 0.427 414 Q N 4.264 123.916 119.800 -0.247 0.000 2.327 414 Q HA 0.381 4.722 4.340 0.002 0.000 0.270 414 Q C -2.234 173.701 176.000 -0.109 0.000 1.022 414 Q CA -1.953 53.731 55.803 -0.199 0.000 0.773 414 Q CB 1.961 30.507 28.738 -0.321 0.000 1.251 414 Q HN 0.367 nan 8.270 nan 0.000 0.457 415 P HA -0.030 nan 4.420 nan 0.000 0.218 415 P C -0.342 176.954 177.300 -0.007 0.000 1.152 415 P CA 1.047 64.149 63.100 0.003 0.000 0.826 415 P CB 0.329 32.067 31.700 0.063 0.000 0.790 416 K N -2.167 118.223 120.400 -0.016 0.000 2.756 416 K HA 0.178 4.499 4.320 0.002 0.000 0.286 416 K C 0.391 176.979 176.600 -0.020 0.000 1.029 416 K CA -0.270 56.011 56.287 -0.011 0.000 0.791 416 K CB -0.219 32.293 32.500 0.021 0.000 1.481 416 K HN -0.455 nan 8.250 nan 0.000 0.360 417 E N -0.255 119.940 120.200 -0.009 0.000 2.204 417 E HA -0.148 4.203 4.350 0.002 0.000 0.195 417 E C 1.276 177.875 176.600 -0.002 0.000 0.990 417 E CA 1.910 58.304 56.400 -0.010 0.000 0.821 417 E CB -0.165 29.536 29.700 0.002 0.000 0.750 417 E HN 0.559 nan 8.360 nan 0.000 0.477 418 S N -0.497 115.214 115.700 0.019 0.000 2.343 418 S HA -0.111 4.360 4.470 0.002 0.000 0.219 418 S C 1.274 175.856 174.600 -0.031 0.000 1.033 418 S CA 1.304 59.526 58.200 0.036 0.000 1.014 418 S CB -0.615 62.652 63.200 0.111 0.000 0.915 418 S HN 0.317 nan 8.310 nan 0.000 0.435 419 T N -0.561 113.941 114.554 -0.087 0.000 2.816 419 T HA 0.702 5.053 4.350 0.002 0.000 0.299 419 T C -0.824 173.791 174.700 -0.142 0.000 1.230 419 T CA -0.844 61.127 62.100 -0.214 0.000 1.007 419 T CB 1.493 69.973 68.868 -0.647 0.000 1.289 419 T HN 0.857 nan 8.240 nan 0.000 0.508 420 I N -1.133 119.360 120.570 -0.128 0.000 2.608 420 I HA 0.869 5.040 4.170 0.002 0.000 0.295 420 I C -0.467 175.624 176.117 -0.043 0.000 1.049 420 I CA -0.764 60.508 61.300 -0.048 0.000 1.063 420 I CB 2.253 40.273 38.000 0.033 0.000 1.248 420 I HN 0.732 nan 8.210 nan 0.000 0.424 421 S N 5.134 120.847 115.700 0.022 0.000 2.648 421 S HA 0.696 5.167 4.470 0.002 0.000 0.305 421 S C -0.313 174.328 174.600 0.067 0.000 1.094 421 S CA -1.026 57.200 58.200 0.043 0.000 0.983 421 S CB 1.406 64.659 63.200 0.088 0.000 1.101 421 S HN 0.728 nan 8.310 nan 0.000 0.514 422 I N 1.407 122.018 120.570 0.068 0.000 2.416 422 I HA 0.419 4.590 4.170 0.002 0.000 0.288 422 I C -2.156 174.033 176.117 0.119 0.000 1.051 422 I CA -1.919 59.447 61.300 0.110 0.000 1.375 422 I CB 0.803 38.873 38.000 0.117 0.000 1.407 422 I HN 0.373 nan 8.210 nan 0.000 0.516 423 P HA -0.129 nan 4.420 nan 0.000 0.215 423 P C 0.144 177.515 177.300 0.119 0.000 1.157 423 P CA 1.605 64.782 63.100 0.129 0.000 0.874 423 P CB 0.154 31.936 31.700 0.137 0.000 0.790 424 S N -3.953 111.825 115.700 0.131 0.000 2.669 424 S HA 0.187 4.658 4.470 0.002 0.000 0.266 424 S C 0.539 175.215 174.600 0.127 0.000 1.149 424 S CA -0.670 57.601 58.200 0.119 0.000 0.842 424 S CB -0.091 63.184 63.200 0.125 0.000 1.160 424 S HN -0.096 nan 8.310 nan 0.000 0.487 425 I N 0.786 121.425 120.570 0.116 0.000 2.264 425 I HA -0.036 4.135 4.170 0.002 0.000 0.248 425 I C 2.024 178.207 176.117 0.111 0.000 1.111 425 I CA 1.672 63.031 61.300 0.099 0.000 1.382 425 I CB -0.590 37.467 38.000 0.094 0.000 1.060 425 I HN 0.738 nan 8.210 nan 0.000 0.418 426 Y N 0.570 120.898 120.300 0.046 0.000 2.097 426 Y HA -0.261 4.290 4.550 0.002 0.000 0.282 426 Y C 2.357 178.286 175.900 0.049 0.000 1.152 426 Y CA 2.263 60.386 58.100 0.039 0.000 1.136 426 Y CB -0.457 38.018 38.460 0.024 0.000 0.975 426 Y HN 0.218 nan 8.280 nan 0.000 0.498 427 L N 0.189 121.471 121.223 0.099 0.000 2.027 427 L HA -0.201 4.140 4.340 0.002 0.000 0.206 427 L C 2.453 179.337 176.870 0.024 0.000 1.074 427 L CA 2.276 57.132 54.840 0.027 0.000 0.745 427 L CB -0.604 41.562 42.059 0.180 0.000 0.898 427 L HN 0.440 nan 8.230 nan 0.000 0.433 428 E N -0.177 120.066 120.200 0.072 0.000 2.110 428 E HA -0.263 4.088 4.350 0.002 0.000 0.193 428 E C 2.279 178.884 176.600 0.008 0.000 0.988 428 E CA 0.905 57.346 56.400 0.069 0.000 0.804 428 E CB -0.056 29.682 29.700 0.064 0.000 0.745 428 E HN 0.443 nan 8.360 nan 0.000 0.458 429 L N 1.752 122.949 121.223 -0.042 0.000 2.079 429 L HA -0.201 4.140 4.340 0.002 0.000 0.210 429 L C 2.327 179.146 176.870 -0.086 0.000 1.081 429 L CA 2.044 56.851 54.840 -0.056 0.000 0.752 429 L CB -0.807 41.210 42.059 -0.070 0.000 0.896 429 L HN 0.148 nan 8.230 nan 0.000 0.433 430 K N -0.209 120.093 120.400 -0.163 0.000 2.002 430 K HA -0.167 4.155 4.320 0.002 0.000 0.209 430 K C 2.066 178.652 176.600 -0.023 0.000 1.048 430 K CA 2.397 58.608 56.287 -0.128 0.000 0.930 430 K CB -0.209 32.192 32.500 -0.164 0.000 0.714 430 K HN 0.376 nan 8.250 nan 0.000 0.438 431 V N 0.382 120.314 119.914 0.030 0.000 2.358 431 V HA -0.239 3.882 4.120 0.002 0.000 0.246 431 V C 2.152 178.240 176.094 -0.009 0.000 1.047 431 V CA 1.945 64.268 62.300 0.037 0.000 1.035 431 V CB -0.911 30.932 31.823 0.032 0.000 0.658 431 V HN 0.411 nan 8.190 nan 0.000 0.452 432 K N 1.081 121.475 120.400 -0.010 0.000 2.063 432 K HA -0.100 4.221 4.320 0.002 0.000 0.208 432 K C 2.241 178.828 176.600 -0.021 0.000 1.048 432 K CA 2.072 58.348 56.287 -0.019 0.000 0.928 432 K CB -0.777 31.717 32.500 -0.009 0.000 0.713 432 K HN 0.479 nan 8.250 nan 0.000 0.442 433 L N 1.830 123.044 121.223 -0.014 0.000 2.046 433 L HA -0.132 4.209 4.340 0.002 0.000 0.208 433 L C 1.219 178.080 176.870 -0.014 0.000 1.077 433 L CA 1.049 55.884 54.840 -0.009 0.000 0.747 433 L CB -0.553 41.505 42.059 -0.002 0.000 0.896 433 L HN 0.413 nan 8.230 nan 0.000 0.432 434 E N 0.590 120.781 120.200 -0.014 0.000 2.081 434 E HA 0.338 4.689 4.350 0.002 0.000 0.281 434 E C -0.832 175.746 176.600 -0.036 0.000 0.986 434 E CA -0.302 56.089 56.400 -0.015 0.000 0.796 434 E CB 1.122 30.824 29.700 0.002 0.000 1.085 434 E HN 0.260 nan 8.360 nan 0.000 0.398 435 N N 2.167 120.834 118.700 -0.055 0.000 2.823 435 N HA 0.167 4.908 4.740 0.002 0.000 0.251 435 N C -1.682 173.770 175.510 -0.097 0.000 1.392 435 N CA -0.567 52.426 53.050 -0.094 0.000 0.864 435 N CB 2.361 40.765 38.487 -0.138 0.000 1.481 435 N HN 0.633 nan 8.380 nan 0.000 0.508 436 E N 0.049 120.175 120.200 -0.124 0.000 2.423 436 E HA 0.225 4.576 4.350 0.002 0.000 0.269 436 E C -1.496 175.013 176.600 -0.152 0.000 0.948 436 E CA -0.504 55.848 56.400 -0.080 0.000 0.802 436 E CB 1.297 30.982 29.700 -0.025 0.000 1.339 436 E HN 0.487 nan 8.360 nan 0.000 0.445 437 Y N 1.237 121.511 120.300 -0.044 0.000 2.767 437 Y HA 0.361 4.912 4.550 0.002 0.000 0.354 437 Y C 0.569 176.442 175.900 -0.044 0.000 1.292 437 Y CA 0.135 58.184 58.100 -0.085 0.000 1.749 437 Y CB 0.006 38.417 38.460 -0.082 0.000 1.841 437 Y HN 0.613 nan 8.280 nan 0.000 0.454 438 A N 1.041 123.854 122.820 -0.013 0.000 2.021 438 A HA -0.038 4.283 4.320 0.002 0.000 0.216 438 A C 1.877 179.465 177.584 0.006 0.000 1.163 438 A CA 0.681 52.728 52.037 0.017 0.000 0.676 438 A CB -0.240 18.733 19.000 -0.045 0.000 0.818 438 A HN 0.606 nan 8.150 nan 0.000 0.453 439 L N -0.248 120.840 121.223 -0.224 0.000 2.081 439 L HA -0.225 4.116 4.340 0.002 0.000 0.212 439 L C 2.422 179.342 176.870 0.084 0.000 1.080 439 L CA 1.735 56.437 54.840 -0.231 0.000 0.754 439 L CB -1.015 40.671 42.059 -0.622 0.000 0.893 439 L HN 0.454 nan 8.230 nan 0.000 0.433 440 H N -0.375 118.968 119.070 0.455 0.000 2.319 440 H HA -0.070 4.487 4.556 0.002 0.000 0.299 440 H C 2.437 177.860 175.328 0.158 0.000 1.092 440 H CA 1.282 57.525 56.048 0.324 0.000 1.302 440 H CB -0.032 29.838 29.762 0.179 0.000 1.373 440 H HN 0.240 nan 8.280 nan 0.000 0.497 441 R N 0.401 121.053 120.500 0.254 0.000 2.081 441 R HA -0.043 4.298 4.340 0.002 0.000 0.235 441 R C 2.487 178.853 176.300 0.109 0.000 1.131 441 R CA 0.848 57.034 56.100 0.144 0.000 0.960 441 R CB -0.458 29.899 30.300 0.095 0.000 0.856 441 R HN 0.217 nan 8.270 nan 0.000 0.436 442 S N 1.321 117.079 115.700 0.097 0.000 2.368 442 S HA -0.138 4.333 4.470 0.002 0.000 0.225 442 S C 1.931 176.646 174.600 0.191 0.000 1.030 442 S CA 1.000 59.246 58.200 0.077 0.000 0.999 442 S CB -0.240 62.992 63.200 0.054 0.000 0.844 442 S HN 0.167 nan 8.310 nan 0.000 0.459 443 I N 1.227 121.926 120.570 0.214 0.000 2.286 443 I HA -0.081 4.090 4.170 0.002 0.000 0.248 443 I C 2.201 178.459 176.117 0.236 0.000 1.115 443 I CA 0.882 62.333 61.300 0.252 0.000 1.392 443 I CB -0.385 37.723 38.000 0.180 0.000 1.065 443 I HN 0.126 nan 8.210 nan 0.000 0.418 444 V N 0.485 120.506 119.914 0.179 0.000 2.490 444 V HA -0.278 3.843 4.120 0.002 0.000 0.250 444 V C 2.283 178.466 176.094 0.149 0.000 1.061 444 V CA 2.409 64.803 62.300 0.156 0.000 1.064 444 V CB -0.649 31.240 31.823 0.110 0.000 0.670 444 V HN 0.555 nan 8.190 nan 0.000 0.461 445 D N -0.780 119.663 120.400 0.070 0.000 2.144 445 D HA -0.226 4.415 4.640 0.002 0.000 0.199 445 D C 1.848 178.087 176.300 -0.101 0.000 0.984 445 D CA 1.895 55.873 54.000 -0.037 0.000 0.834 445 D CB -0.124 40.591 40.800 -0.142 0.000 0.955 445 D HN 0.709 nan 8.370 nan 0.000 0.465 446 H N -1.417 117.608 119.070 -0.075 0.000 2.353 446 H HA -0.118 4.439 4.556 0.002 0.000 0.300 446 H C 1.676 176.976 175.328 -0.047 0.000 1.090 446 H CA 1.727 57.680 56.048 -0.157 0.000 1.327 446 H CB -0.442 29.150 29.762 -0.283 0.000 1.383 446 H HN 0.243 nan 8.280 nan 0.000 0.508 447 Y N 1.654 121.997 120.300 0.073 0.000 2.181 447 Y HA -0.247 4.304 4.550 0.002 0.000 0.288 447 Y C 1.700 177.622 175.900 0.036 0.000 1.146 447 Y CA 1.747 59.874 58.100 0.045 0.000 1.164 447 Y CB -0.441 38.035 38.460 0.028 0.000 0.982 447 Y HN 0.165 nan 8.280 nan 0.000 0.515 448 N N 0.212 118.895 118.700 -0.029 0.000 2.120 448 N HA -0.200 4.541 4.740 0.002 0.000 0.188 448 N C 1.939 177.379 175.510 -0.117 0.000 1.024 448 N CA 1.333 54.327 53.050 -0.094 0.000 0.852 448 N CB -0.271 38.235 38.487 0.032 0.000 1.003 448 N HN 0.389 nan 8.380 nan 0.000 0.424 449 I N 1.752 122.285 120.570 -0.063 0.000 2.142 449 I HA -0.093 4.078 4.170 0.002 0.000 0.240 449 I C -1.090 175.103 176.117 0.126 0.000 1.078 449 I CA 1.717 63.053 61.300 0.062 0.000 1.343 449 I CB -1.501 36.501 38.000 0.002 0.000 1.046 449 I HN 0.009 nan 8.210 nan 0.000 0.405 450 P HA -0.133 nan 4.420 nan 0.000 0.223 450 P C 1.444 178.703 177.300 -0.068 0.000 1.151 450 P CA 1.356 64.436 63.100 -0.033 0.000 0.787 450 P CB -0.073 31.589 31.700 -0.063 0.000 0.788 451 K N 0.406 120.643 120.400 -0.272 0.000 2.026 451 K HA -0.143 4.179 4.320 0.002 0.000 0.208 451 K C 1.850 178.408 176.600 -0.071 0.000 1.048 451 K CA 2.531 58.659 56.287 -0.264 0.000 0.929 451 K CB -1.542 30.723 32.500 -0.392 0.000 0.713 451 K HN 0.171 nan 8.250 nan 0.000 0.439 452 T N -1.522 113.028 114.554 -0.007 0.000 2.708 452 T HA -0.082 4.269 4.350 0.002 0.000 0.266 452 T C 0.745 175.420 174.700 -0.042 0.000 1.037 452 T CA 0.464 62.550 62.100 -0.024 0.000 1.146 452 T CB -0.705 68.141 68.868 -0.037 0.000 0.865 452 T HN 0.024 nan 8.240 nan 0.000 0.435 453 F N 2.840 122.726 119.950 -0.107 0.000 2.571 453 F HA 0.498 5.026 4.527 0.002 0.000 0.384 453 F C 0.507 176.223 175.800 -0.140 0.000 1.058 453 F CA -0.435 57.485 58.000 -0.134 0.000 1.200 453 F CB 0.088 38.980 39.000 -0.179 0.000 1.077 453 F HN 0.256 nan 8.300 nan 0.000 0.558 454 D N 1.388 121.773 120.400 -0.026 0.000 2.878 454 D HA 0.290 4.931 4.640 0.002 0.000 0.211 454 D C -1.181 175.085 176.300 -0.057 0.000 1.271 454 D CA -0.407 53.573 54.000 -0.033 0.000 0.845 454 D CB 1.648 42.430 40.800 -0.030 0.000 1.679 454 D HN 0.389 nan 8.370 nan 0.000 0.536 455 S N 2.119 117.788 115.700 -0.051 0.000 2.648 455 S HA 0.500 4.971 4.470 0.002 0.000 0.305 455 S C 0.576 175.148 174.600 -0.046 0.000 1.094 455 S CA -0.582 57.585 58.200 -0.055 0.000 0.983 455 S CB 1.874 65.040 63.200 -0.057 0.000 1.101 455 S HN 0.266 nan 8.310 nan 0.000 0.514 456 D N 1.580 121.951 120.400 -0.048 0.000 2.092 456 D HA -0.026 4.615 4.640 0.002 0.000 0.193 456 D C 0.610 176.878 176.300 -0.054 0.000 0.994 456 D CA 2.024 55.996 54.000 -0.046 0.000 0.828 456 D CB -0.544 40.228 40.800 -0.047 0.000 0.963 456 D HN 0.855 nan 8.370 nan 0.000 0.450 457 D N -0.660 119.702 120.400 -0.062 0.000 2.478 457 D HA 0.104 4.745 4.640 0.002 0.000 0.274 457 D C 1.217 177.476 176.300 -0.068 0.000 1.234 457 D CA -0.587 53.364 54.000 -0.081 0.000 1.069 457 D CB 0.185 40.927 40.800 -0.095 0.000 1.113 457 D HN -0.053 nan 8.370 nan 0.000 0.571 458 L N -0.958 120.214 121.223 -0.084 0.000 2.622 458 L HA 0.073 4.414 4.340 0.002 0.000 0.233 458 L C 0.221 177.132 176.870 0.069 0.000 1.156 458 L CA 0.350 55.169 54.840 -0.035 0.000 0.866 458 L CB -0.364 41.631 42.059 -0.105 0.000 0.980 458 L HN 0.248 nan 8.230 nan 0.000 0.448 459 I N 0.771 121.359 120.570 0.031 0.000 2.315 459 I HA 0.310 4.481 4.170 0.002 0.000 0.291 459 I C -2.130 173.965 176.117 -0.038 0.000 1.006 459 I CA -2.428 58.909 61.300 0.061 0.000 1.265 459 I CB 0.910 38.949 38.000 0.064 0.000 1.387 459 I HN -0.266 nan 8.210 nan 0.000 0.475 460 P HA 0.270 nan 4.420 nan 0.000 0.277 460 P C -1.956 175.132 177.300 -0.354 0.000 1.240 460 P CA -1.163 61.686 63.100 -0.418 0.000 0.798 460 P CB 0.170 31.203 31.700 -1.112 0.000 0.979 461 P HA -0.001 nan 4.420 nan 0.000 0.245 461 P C -0.229 176.925 177.300 -0.244 0.000 1.212 461 P CA 0.065 63.067 63.100 -0.164 0.000 0.774 461 P CB -0.200 31.502 31.700 0.002 0.000 0.999 462 Y N 0.250 120.306 120.300 -0.406 0.000 3.167 462 Y HA -0.175 4.376 4.550 0.002 0.000 0.354 462 Y C 1.724 177.402 175.900 -0.370 0.000 1.253 462 Y CA 0.303 57.976 58.100 -0.713 0.000 1.580 462 Y CB -0.664 37.325 38.460 -0.786 0.000 1.164 462 Y HN -0.111 nan 8.280 nan 0.000 0.617 463 L N 1.970 123.090 121.223 -0.170 0.000 2.945 463 L HA 0.187 4.528 4.340 0.002 0.000 0.171 463 L C 1.571 178.627 176.870 0.310 0.000 1.669 463 L CA -0.126 54.802 54.840 0.147 0.000 1.963 463 L CB -0.318 41.920 42.059 0.298 0.000 2.719 463 L HN 0.535 nan 8.230 nan 0.000 0.570 464 D N -0.507 120.106 120.400 0.354 0.000 2.062 464 D HA -0.190 4.451 4.640 0.002 0.000 0.249 464 D C 1.667 178.187 176.300 0.367 0.000 1.114 464 D CA 1.979 56.187 54.000 0.348 0.000 0.990 464 D CB -0.121 40.988 40.800 0.515 0.000 1.442 464 D HN 0.629 nan 8.370 nan 0.000 0.533 465 Q N -1.442 118.586 119.800 0.380 0.000 2.369 465 Q HA 0.000 4.342 4.340 0.002 0.000 0.254 465 Q C 2.031 178.207 176.000 0.293 0.000 0.858 465 Q CA 0.060 56.065 55.803 0.337 0.000 0.961 465 Q CB -0.731 28.122 28.738 0.191 0.000 1.119 465 Q HN 0.282 nan 8.270 nan 0.000 0.538 466 Y N 1.224 121.521 120.300 -0.005 0.000 2.069 466 Y HA -0.260 4.291 4.550 0.002 0.000 0.278 466 Y C 1.309 176.865 175.900 -0.573 0.000 1.175 466 Y CA 1.975 59.644 58.100 -0.718 0.000 1.134 466 Y CB -0.476 37.578 38.460 -0.677 0.000 0.965 466 Y HN 0.144 nan 8.280 nan 0.000 0.498 467 F N -1.279 118.706 119.950 0.058 0.000 2.095 467 F HA -0.252 4.277 4.527 0.002 0.000 0.298 467 F C 2.182 177.728 175.800 -0.424 0.000 1.104 467 F CA 1.904 59.815 58.000 -0.148 0.000 1.232 467 F CB -1.287 37.461 39.000 -0.420 0.000 0.987 467 F HN 0.060 nan 8.300 nan 0.000 0.475 468 Y N -0.664 119.537 120.300 -0.165 0.000 2.128 468 Y HA -0.268 4.283 4.550 0.002 0.000 0.284 468 Y C 2.869 178.669 175.900 -0.167 0.000 1.154 468 Y CA 1.827 59.780 58.100 -0.244 0.000 1.149 468 Y CB -1.140 37.271 38.460 -0.082 0.000 0.976 468 Y HN 0.043 nan 8.280 nan 0.000 0.505 469 S N -1.051 114.792 115.700 0.239 0.000 2.345 469 S HA -0.185 4.287 4.470 0.002 0.000 0.219 469 S C 1.820 176.484 174.600 0.106 0.000 1.031 469 S CA 1.480 59.911 58.200 0.385 0.000 0.984 469 S CB -0.347 63.176 63.200 0.538 0.000 0.874 469 S HN 0.507 nan 8.310 nan 0.000 0.451 470 H N 0.712 119.711 119.070 -0.119 0.000 2.389 470 H HA 0.088 4.645 4.556 0.002 0.000 0.299 470 H C 1.925 177.233 175.328 -0.033 0.000 1.081 470 H CA 1.111 57.078 56.048 -0.135 0.000 1.345 470 H CB -0.786 28.779 29.762 -0.328 0.000 1.393 470 H HN 0.388 nan 8.280 nan 0.000 0.520 471 I N 0.855 121.449 120.570 0.040 0.000 2.163 471 I HA -0.162 4.010 4.170 0.002 0.000 0.243 471 I C 2.420 178.432 176.117 -0.176 0.000 1.085 471 I CA 1.817 63.114 61.300 -0.005 0.000 1.347 471 I CB -0.853 37.074 38.000 -0.122 0.000 1.044 471 I HN 0.267 nan 8.210 nan 0.000 0.408 472 G N -1.378 107.133 108.800 -0.482 0.000 2.422 472 G HA2 -0.353 3.608 3.960 0.002 0.000 0.218 472 G HA3 -0.353 3.608 3.960 0.002 0.000 0.218 472 G C 1.671 176.116 174.900 -0.758 0.000 1.146 472 G CA 1.197 45.970 45.100 -0.546 0.000 0.769 472 G HN 0.594 nan 8.290 nan 0.000 0.547 473 H N -0.033 118.639 119.070 -0.663 0.000 2.321 473 H HA -0.072 4.486 4.556 0.002 0.000 0.300 473 H C 2.423 177.492 175.328 -0.431 0.000 1.087 473 H CA 1.956 57.689 56.048 -0.525 0.000 1.319 473 H CB -0.183 29.452 29.762 -0.212 0.000 1.379 473 H HN 0.397 nan 8.280 nan 0.000 0.501 474 H N -0.158 118.799 119.070 -0.188 0.000 2.387 474 H HA -0.099 4.458 4.556 0.002 0.000 0.299 474 H C 2.583 177.791 175.328 -0.200 0.000 1.090 474 H CA 1.406 57.312 56.048 -0.236 0.000 1.332 474 H CB -0.155 29.452 29.762 -0.259 0.000 1.386 474 H HN 0.366 nan 8.280 nan 0.000 0.516 475 L N 0.739 121.926 121.223 -0.060 0.000 2.046 475 L HA -0.198 4.144 4.340 0.002 0.000 0.208 475 L C 2.735 179.542 176.870 -0.105 0.000 1.077 475 L CA 1.322 56.145 54.840 -0.029 0.000 0.747 475 L CB -0.300 41.774 42.059 0.024 0.000 0.896 475 L HN 0.194 nan 8.230 nan 0.000 0.432 476 K N 0.276 120.513 120.400 -0.272 0.000 2.063 476 K HA -0.255 4.066 4.320 0.002 0.000 0.208 476 K C 2.059 178.594 176.600 -0.108 0.000 1.048 476 K CA 1.726 57.908 56.287 -0.174 0.000 0.928 476 K CB -0.176 32.286 32.500 -0.063 0.000 0.713 476 K HN 0.234 nan 8.250 nan 0.000 0.442 477 N N 1.527 120.122 118.700 -0.175 0.000 2.120 477 N HA -0.165 4.576 4.740 0.002 0.000 0.188 477 N C 1.988 177.483 175.510 -0.027 0.000 1.024 477 N CA 1.759 54.749 53.050 -0.099 0.000 0.852 477 N CB -0.149 38.263 38.487 -0.125 0.000 1.003 477 N HN 0.492 nan 8.380 nan 0.000 0.424 478 I N -2.549 118.010 120.570 -0.019 0.000 2.163 478 I HA 0.034 4.206 4.170 0.002 0.000 0.240 478 I C 0.207 176.299 176.117 -0.041 0.000 1.081 478 I CA 1.231 62.532 61.300 0.001 0.000 1.353 478 I CB -0.016 38.006 38.000 0.036 0.000 1.054 478 I HN -0.088 nan 8.210 nan 0.000 0.407 479 E N -0.548 119.617 120.200 -0.058 0.000 2.393 479 E HA 0.063 4.414 4.350 0.002 0.000 0.278 479 E C 0.475 177.016 176.600 -0.098 0.000 1.171 479 E CA -0.048 56.297 56.400 -0.092 0.000 0.904 479 E CB 0.429 29.984 29.700 -0.241 0.000 1.309 479 E HN 0.396 nan 8.360 nan 0.000 0.423 480 H N -0.071 118.948 119.070 -0.085 0.000 2.307 480 H HA 0.050 4.607 4.556 0.002 0.000 0.303 480 H C -1.194 174.049 175.328 -0.143 0.000 1.073 480 H CA 1.706 57.678 56.048 -0.127 0.000 1.338 480 H CB -1.497 28.180 29.762 -0.143 0.000 1.389 480 H HN 0.200 nan 8.280 nan 0.000 0.503 481 P HA -0.169 nan 4.420 nan 0.000 0.215 481 P C 1.137 178.350 177.300 -0.144 0.000 1.157 481 P CA 1.742 64.648 63.100 -0.323 0.000 0.874 481 P CB 0.042 31.512 31.700 -0.382 0.000 0.790 482 E N -0.365 119.781 120.200 -0.090 0.000 2.106 482 E HA -0.133 4.218 4.350 0.002 0.000 0.192 482 E C 2.382 179.000 176.600 0.030 0.000 0.984 482 E CA 0.804 57.220 56.400 0.028 0.000 0.806 482 E CB -0.726 29.062 29.700 0.146 0.000 0.750 482 E HN 0.196 nan 8.360 nan 0.000 0.458 483 R N 0.589 121.112 120.500 0.039 0.000 2.091 483 R HA -0.175 4.166 4.340 0.002 0.000 0.238 483 R C 2.314 178.717 176.300 0.171 0.000 1.136 483 R CA 1.737 57.944 56.100 0.178 0.000 0.959 483 R CB -0.268 29.991 30.300 -0.068 0.000 0.856 483 R HN 0.290 nan 8.270 nan 0.000 0.437 484 M N 0.680 120.248 119.600 -0.053 0.000 2.065 484 M HA -0.183 4.298 4.480 0.002 0.000 0.259 484 M C 2.133 178.366 176.300 -0.113 0.000 1.069 484 M CA 2.615 57.851 55.300 -0.108 0.000 1.110 484 M CB -0.322 32.118 32.600 -0.265 0.000 1.328 484 M HN 0.349 nan 8.290 nan 0.000 0.405 485 T N -0.450 113.983 114.554 -0.201 0.000 2.737 485 T HA -0.093 4.258 4.350 0.002 0.000 0.265 485 T C 1.905 176.259 174.700 -0.577 0.000 1.038 485 T CA 1.053 62.825 62.100 -0.546 0.000 1.144 485 T CB -0.641 68.029 68.868 -0.330 0.000 0.866 485 T HN 0.334 nan 8.240 nan 0.000 0.434 486 L N -0.205 120.881 121.223 -0.227 0.000 2.056 486 L HA 0.125 4.466 4.340 0.002 0.000 0.207 486 L C 2.616 179.296 176.870 -0.316 0.000 1.078 486 L CA 1.595 56.275 54.840 -0.266 0.000 0.749 486 L CB -1.591 40.345 42.059 -0.204 0.000 0.901 486 L HN 0.221 nan 8.230 nan 0.000 0.433 487 F N 0.349 120.224 119.950 -0.125 0.000 2.202 487 F HA -0.130 4.398 4.527 0.002 0.000 0.301 487 F C 1.425 177.360 175.800 0.226 0.000 1.082 487 F CA 0.729 58.803 58.000 0.123 0.000 1.313 487 F CB -0.152 39.043 39.000 0.325 0.000 1.024 487 F HN 0.164 nan 8.300 nan 0.000 0.495 488 R N -1.060 119.526 120.500 0.143 0.000 3.656 488 R HA -0.253 4.088 4.340 0.002 0.000 0.297 488 R C 0.910 177.412 176.300 0.338 0.000 1.166 488 R CA 0.693 56.904 56.100 0.185 0.000 0.799 488 R CB -2.256 28.204 30.300 0.268 0.000 1.285 488 R HN 0.365 nan 8.270 nan 0.000 0.477 489 M N -1.047 118.739 119.600 0.309 0.000 2.236 489 M HA -0.085 4.396 4.480 0.002 0.000 0.266 489 M C 2.173 178.597 176.300 0.207 0.000 1.070 489 M CA 1.421 56.847 55.300 0.210 0.000 1.137 489 M CB 0.016 32.728 32.600 0.187 0.000 1.378 489 M HN 0.050 nan 8.290 nan 0.000 0.426 490 V N 0.053 120.079 119.914 0.186 0.000 2.270 490 V HA -0.141 3.980 4.120 0.002 0.000 0.245 490 V C 0.935 177.257 176.094 0.380 0.000 1.043 490 V CA 1.347 63.780 62.300 0.223 0.000 1.014 490 V CB -0.522 31.373 31.823 0.120 0.000 0.645 490 V HN 0.260 nan 8.190 nan 0.000 0.447 491 F N -0.865 119.203 119.950 0.196 0.000 2.421 491 F HA 0.377 4.905 4.527 0.002 0.000 0.337 491 F C 0.885 176.830 175.800 0.241 0.000 1.105 491 F CA -0.642 57.468 58.000 0.184 0.000 1.049 491 F CB 1.529 40.626 39.000 0.160 0.000 1.139 491 F HN -0.112 nan 8.300 nan 0.000 0.479 492 L N 1.509 122.995 121.223 0.438 0.000 2.375 492 L HA -0.046 4.295 4.340 0.002 0.000 0.215 492 L C 1.412 178.513 176.870 0.385 0.000 1.108 492 L CA 0.963 55.999 54.840 0.326 0.000 0.830 492 L CB -0.214 41.952 42.059 0.178 0.000 0.959 492 L HN 0.716 nan 8.230 nan 0.000 0.457 493 D N -0.100 120.561 120.400 0.436 0.000 2.144 493 D HA -0.225 4.417 4.640 0.002 0.000 0.199 493 D C 1.752 178.482 176.300 0.717 0.000 0.984 493 D CA 1.205 55.521 54.000 0.527 0.000 0.834 493 D CB 0.022 41.099 40.800 0.461 0.000 0.955 493 D HN 0.195 nan 8.370 nan 0.000 0.465 494 F N 0.676 120.893 119.950 0.445 0.000 2.710 494 F HA 0.165 4.693 4.527 0.002 0.000 0.298 494 F C 2.156 178.201 175.800 0.407 0.000 1.137 494 F CA 0.166 58.419 58.000 0.422 0.000 1.444 494 F CB -0.123 39.104 39.000 0.378 0.000 1.111 494 F HN -0.164 nan 8.300 nan 0.000 0.580 495 R N -0.269 120.576 120.500 0.576 0.000 2.097 495 R HA -0.243 4.098 4.340 0.002 0.000 0.236 495 R C 2.365 178.896 176.300 0.384 0.000 1.135 495 R CA 2.140 58.498 56.100 0.430 0.000 0.934 495 R CB -0.988 29.547 30.300 0.391 0.000 0.846 495 R HN 0.320 nan 8.270 nan 0.000 0.431 496 F N 0.725 120.815 119.950 0.234 0.000 2.015 496 F HA -0.316 4.212 4.527 0.002 0.000 0.297 496 F C 2.170 178.027 175.800 0.094 0.000 1.141 496 F CA 1.657 59.775 58.000 0.195 0.000 1.192 496 F CB -0.195 38.999 39.000 0.323 0.000 0.957 496 F HN 0.085 nan 8.300 nan 0.000 0.491 497 L N -0.040 121.251 121.223 0.113 0.000 2.072 497 L HA -0.201 4.140 4.340 0.002 0.000 0.205 497 L C 2.346 178.995 176.870 -0.369 0.000 1.079 497 L CA 1.600 56.336 54.840 -0.174 0.000 0.752 497 L CB -0.570 41.551 42.059 0.103 0.000 0.906 497 L HN 0.241 nan 8.230 nan 0.000 0.436 498 E N 0.176 119.949 120.200 -0.711 0.000 2.058 498 E HA -0.315 4.036 4.350 0.002 0.000 0.194 498 E C 2.101 178.482 176.600 -0.364 0.000 0.997 498 E CA 1.767 57.749 56.400 -0.696 0.000 0.801 498 E CB -0.117 29.210 29.700 -0.622 0.000 0.746 498 E HN 0.368 nan 8.360 nan 0.000 0.450 499 Q N 0.136 119.829 119.800 -0.179 0.000 2.020 499 Q HA -0.213 4.128 4.340 0.002 0.000 0.202 499 Q C 2.173 178.104 176.000 -0.115 0.000 0.982 499 Q CA 2.307 58.065 55.803 -0.074 0.000 0.838 499 Q CB -0.244 28.512 28.738 0.029 0.000 0.899 499 Q HN 0.279 nan 8.270 nan 0.000 0.423 500 K N 0.754 121.045 120.400 -0.183 0.000 2.103 500 K HA -0.157 4.164 4.320 0.002 0.000 0.204 500 K C 1.980 178.480 176.600 -0.168 0.000 1.052 500 K CA 1.506 57.680 56.287 -0.189 0.000 0.945 500 K CB -0.683 31.659 32.500 -0.263 0.000 0.722 500 K HN 0.503 nan 8.250 nan 0.000 0.443 501 I N 0.525 120.941 120.570 -0.258 0.000 2.252 501 I HA -0.120 4.051 4.170 0.002 0.000 0.245 501 I C 0.861 176.842 176.117 -0.227 0.000 1.102 501 I CA 0.895 62.038 61.300 -0.261 0.000 1.385 501 I CB 0.118 37.928 38.000 -0.317 0.000 1.064 501 I HN -0.018 nan 8.210 nan 0.000 0.414 502 R N 0.640 120.983 120.500 -0.263 0.000 4.609 502 R HA 0.022 4.364 4.340 0.002 0.000 0.235 502 R C 0.511 176.783 176.300 -0.048 0.000 1.836 502 R CA 0.129 56.134 56.100 -0.159 0.000 1.564 502 R CB -1.110 29.099 30.300 -0.152 0.000 1.382 502 R HN 0.558 nan 8.270 nan 0.000 0.776 503 H N 0.218 119.220 119.070 -0.113 0.000 2.520 503 H HA 0.008 4.565 4.556 0.002 0.000 0.279 503 H C -0.090 175.205 175.328 -0.054 0.000 0.990 503 H CA 0.113 56.118 56.048 -0.072 0.000 1.288 503 H CB 0.490 30.212 29.762 -0.066 0.000 1.446 503 H HN 0.253 nan 8.280 nan 0.000 0.538 504 D N 0.414 120.795 120.400 -0.032 0.000 2.424 504 D HA 0.241 4.882 4.640 0.002 0.000 0.244 504 D C -0.325 175.921 176.300 -0.090 0.000 1.134 504 D CA 0.111 54.078 54.000 -0.055 0.000 0.881 504 D CB 1.578 42.362 40.800 -0.027 0.000 1.191 504 D HN 0.183 nan 8.370 nan 0.000 0.445 505 S N -0.155 115.493 115.700 -0.088 0.000 2.656 505 S HA 0.475 4.946 4.470 0.002 0.000 0.265 505 S C -1.331 173.235 174.600 -0.056 0.000 1.110 505 S CA -0.943 57.213 58.200 -0.073 0.000 0.821 505 S CB 1.320 64.470 63.200 -0.084 0.000 1.099 505 S HN 0.787 nan 8.310 nan 0.000 0.471 506 T N -0.746 113.783 114.554 -0.041 0.000 2.864 506 T HA 0.848 5.199 4.350 0.002 0.000 0.310 506 T C -0.665 174.027 174.700 -0.014 0.000 1.040 506 T CA -0.540 61.543 62.100 -0.028 0.000 0.977 506 T CB 0.980 69.827 68.868 -0.035 0.000 0.976 506 T HN 1.112 nan 8.240 nan 0.000 0.459 507 A N 3.652 126.486 122.820 0.024 0.000 2.517 507 A HA 0.614 4.936 4.320 0.002 0.000 0.297 507 A C 0.494 178.204 177.584 0.211 0.000 1.050 507 A CA -1.117 50.979 52.037 0.099 0.000 0.694 507 A CB 0.699 19.762 19.000 0.104 0.000 1.277 507 A HN 0.832 nan 8.150 nan 0.000 0.400 508 W N 2.365 123.649 121.300 -0.027 0.000 2.378 508 W HA -0.076 4.585 4.660 0.002 0.000 0.313 508 W C 0.605 177.111 176.519 -0.022 0.000 1.197 508 W CA 1.142 58.475 57.345 -0.021 0.000 1.304 508 W CB -1.931 27.519 29.460 -0.016 0.000 1.148 508 W HN 0.804 nan 8.180 nan 0.000 0.494 509 N N 0.803 119.619 118.700 0.193 0.000 2.453 509 N HA 0.306 5.047 4.740 0.002 0.000 0.253 509 N C 1.266 176.776 175.510 -0.001 0.000 1.252 509 N CA 0.252 53.244 53.050 -0.096 0.000 0.917 509 N CB 1.200 39.559 38.487 -0.213 0.000 1.117 509 N HN 0.098 nan 8.380 nan 0.000 0.442 510 A N 1.133 123.926 122.820 -0.044 0.000 2.019 510 A HA -0.114 4.207 4.320 0.002 0.000 0.219 510 A C 1.297 178.868 177.584 -0.022 0.000 1.164 510 A CA 1.679 53.701 52.037 -0.025 0.000 0.644 510 A CB -0.608 18.374 19.000 -0.029 0.000 0.805 510 A HN 0.898 nan 8.150 nan 0.000 0.449 511 S N -3.977 111.710 115.700 -0.020 0.000 3.070 511 S HA 0.728 5.199 4.470 0.002 0.000 0.320 511 S C -0.026 174.571 174.600 -0.005 0.000 1.215 511 S CA 0.541 58.729 58.200 -0.019 0.000 0.956 511 S CB 0.781 63.969 63.200 -0.020 0.000 1.337 511 S HN 2.074 nan 8.310 nan 0.000 0.639 512 G N 0.012 108.807 108.800 -0.008 0.000 2.340 512 G HA2 0.375 4.336 3.960 0.002 0.000 0.282 512 G HA3 0.375 4.336 3.960 0.002 0.000 0.282 512 G C -1.479 173.414 174.900 -0.012 0.000 1.312 512 G CA -0.195 44.905 45.100 -0.001 0.000 0.942 512 G HN 1.349 nan 8.290 nan 0.000 0.495 513 S N 1.092 116.785 115.700 -0.012 0.000 2.498 513 S HA 0.731 5.202 4.470 0.002 0.000 0.324 513 S C 0.118 174.704 174.600 -0.022 0.000 1.071 513 S CA -0.523 57.666 58.200 -0.019 0.000 1.113 513 S CB 0.870 64.059 63.200 -0.018 0.000 0.976 513 S HN 1.219 nan 8.310 nan 0.000 0.462 514 I N -0.516 120.036 120.570 -0.031 0.000 3.095 514 I HA 0.505 4.676 4.170 0.002 0.000 0.310 514 I C -0.711 175.384 176.117 -0.037 0.000 1.196 514 I CA -1.439 59.841 61.300 -0.034 0.000 0.985 514 I CB 0.777 38.751 38.000 -0.043 0.000 1.250 514 I HN 0.316 nan 8.210 nan 0.000 0.446 515 L N 4.090 125.294 121.223 -0.031 0.000 2.660 515 L HA 0.074 4.415 4.340 0.002 0.000 0.272 515 L C 0.065 176.915 176.870 -0.034 0.000 1.194 515 L CA 1.125 55.950 54.840 -0.026 0.000 0.945 515 L CB -0.921 41.135 42.059 -0.005 0.000 1.212 515 L HN 0.777 nan 8.230 nan 0.000 0.490 516 N N 1.215 119.898 118.700 -0.028 0.000 3.674 516 N HA 0.154 4.895 4.740 0.002 0.000 0.310 516 N C 0.952 176.461 175.510 -0.002 0.000 1.281 516 N CA -0.275 52.762 53.050 -0.021 0.000 0.629 516 N CB 0.093 38.569 38.487 -0.018 0.000 3.596 516 N HN 0.237 nan 8.380 nan 0.000 0.461 517 T N 2.181 116.743 114.554 0.013 0.000 2.881 517 T HA 0.051 4.402 4.350 0.002 0.000 0.270 517 T C 1.963 176.675 174.700 0.019 0.000 1.068 517 T CA 0.925 63.050 62.100 0.041 0.000 1.131 517 T CB -0.323 68.571 68.868 0.042 0.000 0.871 517 T HN 0.209 nan 8.240 nan 0.000 0.479 518 L N 0.694 121.906 121.223 -0.018 0.000 2.013 518 L HA -0.204 4.137 4.340 0.002 0.000 0.212 518 L C 2.862 179.661 176.870 -0.117 0.000 1.073 518 L CA 1.480 56.291 54.840 -0.049 0.000 0.753 518 L CB -0.557 41.470 42.059 -0.053 0.000 0.890 518 L HN 0.237 nan 8.230 nan 0.000 0.432 519 Q N 0.023 119.731 119.800 -0.153 0.000 2.119 519 Q HA -0.230 4.111 4.340 0.002 0.000 0.201 519 Q C 2.141 177.766 176.000 -0.625 0.000 0.972 519 Q CA 1.593 57.170 55.803 -0.377 0.000 0.847 519 Q CB -0.159 28.442 28.738 -0.228 0.000 0.903 519 Q HN 0.410 nan 8.270 nan 0.000 0.433 520 Q N -0.607 119.110 119.800 -0.138 0.000 2.061 520 Q HA -0.198 4.143 4.340 0.002 0.000 0.204 520 Q C 1.932 177.986 176.000 0.089 0.000 0.984 520 Q CA 1.682 57.567 55.803 0.136 0.000 0.846 520 Q CB -0.275 28.623 28.738 0.268 0.000 0.902 520 Q HN 0.462 nan 8.270 nan 0.000 0.421 521 L N 1.108 122.410 121.223 0.131 0.000 2.131 521 L HA -0.176 4.165 4.340 0.002 0.000 0.210 521 L C 1.965 178.885 176.870 0.083 0.000 1.092 521 L CA 1.731 56.714 54.840 0.239 0.000 0.759 521 L CB -0.327 41.810 42.059 0.129 0.000 0.903 521 L HN 0.061 nan 8.230 nan 0.000 0.435 522 K N -0.535 119.763 120.400 -0.171 0.000 2.057 522 K HA -0.135 4.186 4.320 0.002 0.000 0.207 522 K C 2.056 178.503 176.600 -0.256 0.000 1.049 522 K CA 1.588 57.716 56.287 -0.266 0.000 0.931 522 K CB -0.719 31.522 32.500 -0.431 0.000 0.714 522 K HN 0.313 nan 8.250 nan 0.000 0.440 523 F N 0.176 120.143 119.950 0.029 0.000 2.134 523 F HA -0.155 4.373 4.527 0.002 0.000 0.299 523 F C 2.329 178.238 175.800 0.183 0.000 1.097 523 F CA 0.935 59.035 58.000 0.167 0.000 1.264 523 F CB -1.239 37.978 39.000 0.363 0.000 1.001 523 F HN -0.015 nan 8.300 nan 0.000 0.479 524 Y N 0.344 120.959 120.300 0.525 0.000 2.181 524 Y HA -0.216 4.335 4.550 0.002 0.000 0.288 524 Y C 2.479 178.435 175.900 0.093 0.000 1.146 524 Y CA 1.544 59.851 58.100 0.345 0.000 1.164 524 Y CB -0.923 37.715 38.460 0.297 0.000 0.982 524 Y HN 0.008 nan 8.280 nan 0.000 0.515 525 K N -0.131 120.367 120.400 0.164 0.000 1.985 525 K HA -0.127 4.194 4.320 0.002 0.000 0.210 525 K C -0.815 175.745 176.600 -0.065 0.000 1.047 525 K CA 1.577 57.890 56.287 0.043 0.000 0.932 525 K CB -1.000 31.507 32.500 0.012 0.000 0.716 525 K HN 0.157 nan 8.250 nan 0.000 0.439 526 P HA -0.103 nan 4.420 nan 0.000 0.222 526 P C 0.660 177.824 177.300 -0.227 0.000 1.153 526 P CA 1.120 64.059 63.100 -0.268 0.000 0.798 526 P CB -0.018 31.476 31.700 -0.342 0.000 0.796 527 Y N 0.975 121.280 120.300 0.009 0.000 2.373 527 Y HA -0.084 4.468 4.550 0.002 0.000 0.293 527 Y C 2.435 178.217 175.900 -0.196 0.000 1.129 527 Y CA -0.097 57.927 58.100 -0.127 0.000 1.226 527 Y CB -1.483 36.803 38.460 -0.289 0.000 1.000 527 Y HN -0.056 nan 8.280 nan 0.000 0.549 528 I N -0.382 120.176 120.570 -0.019 0.000 2.335 528 I HA -0.254 3.918 4.170 0.002 0.000 0.251 528 I C 2.225 178.336 176.117 -0.011 0.000 1.129 528 I CA 1.474 62.757 61.300 -0.028 0.000 1.402 528 I CB -2.102 35.910 38.000 0.019 0.000 1.069 528 I HN 0.382 nan 8.210 nan 0.000 0.424 529 C N 0.988 120.291 119.300 0.005 0.000 2.411 529 C HA -0.164 4.297 4.460 0.002 0.000 0.279 529 C C 2.422 177.415 174.990 0.005 0.000 1.288 529 C CA 0.928 59.950 59.018 0.007 0.000 1.764 529 C CB -1.743 26.003 27.740 0.010 0.000 1.974 529 C HN 0.558 nan 8.230 nan 0.000 0.498 530 D N 1.563 121.968 120.400 0.008 0.000 2.263 530 D HA -0.051 4.590 4.640 0.002 0.000 0.208 530 D C 0.907 177.212 176.300 0.009 0.000 0.971 530 D CA 0.793 54.806 54.000 0.023 0.000 0.867 530 D CB -0.254 40.561 40.800 0.025 0.000 0.929 530 D HN 0.690 nan 8.370 nan 0.000 0.492 531 N N 0.502 119.187 118.700 -0.025 0.000 2.643 531 N HA 0.128 4.869 4.740 0.002 0.000 0.305 531 N C -0.120 175.393 175.510 0.006 0.000 1.283 531 N CA -0.491 52.531 53.050 -0.046 0.000 0.946 531 N CB 0.947 39.400 38.487 -0.057 0.000 1.149 531 N HN 0.090 nan 8.380 nan 0.000 0.600 532 D N -1.017 119.445 120.400 0.103 0.000 2.588 532 D HA 0.348 4.989 4.640 0.002 0.000 0.268 532 D C -2.158 174.204 176.300 0.105 0.000 1.176 532 D CA -1.386 52.665 54.000 0.085 0.000 1.080 532 D CB -0.391 40.450 40.800 0.068 0.000 1.186 532 D HN 0.046 nan 8.370 nan 0.000 0.619 533 P HA -0.072 nan 4.420 nan 0.000 0.217 533 P C 1.087 178.393 177.300 0.010 0.000 1.151 533 P CA 1.506 64.624 63.100 0.030 0.000 0.828 533 P CB 0.158 31.863 31.700 0.008 0.000 0.788 534 K N -0.785 119.586 120.400 -0.048 0.000 2.032 534 K HA -0.154 4.167 4.320 0.002 0.000 0.209 534 K C 2.176 178.668 176.600 -0.179 0.000 1.048 534 K CA 1.756 57.950 56.287 -0.156 0.000 0.927 534 K CB -1.602 30.713 32.500 -0.309 0.000 0.712 534 K HN 0.297 nan 8.250 nan 0.000 0.441 535 Y N 1.425 121.734 120.300 0.014 0.000 2.242 535 Y HA -0.144 4.408 4.550 0.002 0.000 0.291 535 Y C 2.609 178.522 175.900 0.022 0.000 1.137 535 Y CA 1.324 59.438 58.100 0.024 0.000 1.181 535 Y CB -0.370 38.104 38.460 0.024 0.000 0.989 535 Y HN 0.198 nan 8.280 nan 0.000 0.527 536 E N 0.834 121.126 120.200 0.154 0.000 2.085 536 E HA -0.229 4.122 4.350 0.002 0.000 0.194 536 E C 2.267 178.906 176.600 0.065 0.000 0.994 536 E CA 1.715 58.172 56.400 0.096 0.000 0.801 536 E CB -0.073 29.664 29.700 0.062 0.000 0.743 536 E HN 0.532 nan 8.360 nan 0.000 0.453 537 R N 0.515 121.038 120.500 0.039 0.000 2.075 537 R HA -0.090 4.251 4.340 0.002 0.000 0.232 537 R C 2.513 178.836 176.300 0.038 0.000 1.126 537 R CA 1.421 57.537 56.100 0.026 0.000 0.963 537 R CB -0.941 29.362 30.300 0.005 0.000 0.858 537 R HN 0.271 nan 8.270 nan 0.000 0.435 538 L N 1.456 122.709 121.223 0.049 0.000 2.017 538 L HA -0.135 4.206 4.340 0.002 0.000 0.208 538 L C 2.461 179.376 176.870 0.075 0.000 1.073 538 L CA 1.509 56.390 54.840 0.069 0.000 0.745 538 L CB -0.316 41.807 42.059 0.107 0.000 0.894 538 L HN 0.265 nan 8.230 nan 0.000 0.432 539 V N -0.052 119.913 119.914 0.085 0.000 2.407 539 V HA -0.328 3.793 4.120 0.002 0.000 0.248 539 V C 2.009 178.109 176.094 0.011 0.000 1.055 539 V CA 2.584 64.911 62.300 0.044 0.000 1.049 539 V CB -0.596 31.269 31.823 0.070 0.000 0.662 539 V HN 0.651 nan 8.190 nan 0.000 0.455 540 N N -0.301 118.420 118.700 0.036 0.000 2.244 540 N HA -0.053 4.688 4.740 0.002 0.000 0.183 540 N C 1.859 177.395 175.510 0.043 0.000 1.016 540 N CA 1.295 54.366 53.050 0.034 0.000 0.866 540 N CB -0.353 38.156 38.487 0.036 0.000 0.980 540 N HN 0.604 nan 8.380 nan 0.000 0.430 541 A N 0.794 123.644 122.820 0.050 0.000 1.883 541 A HA -0.156 4.165 4.320 0.002 0.000 0.217 541 A C 2.097 179.741 177.584 0.100 0.000 1.186 541 A CA 1.700 53.777 52.037 0.067 0.000 0.624 541 A CB -0.883 18.152 19.000 0.059 0.000 0.822 541 A HN 0.534 nan 8.150 nan 0.000 0.444 542 I N -1.783 118.833 120.570 0.077 0.000 2.315 542 I HA -0.142 4.029 4.170 0.002 0.000 0.248 542 I C 2.155 178.326 176.117 0.089 0.000 1.117 542 I CA 1.578 62.939 61.300 0.102 0.000 1.404 542 I CB -0.637 37.373 38.000 0.016 0.000 1.071 542 I HN 0.287 nan 8.210 nan 0.000 0.419 543 L N 1.366 122.595 121.223 0.009 0.000 2.046 543 L HA -0.246 4.095 4.340 0.002 0.000 0.208 543 L C 2.253 179.157 176.870 0.057 0.000 1.077 543 L CA 2.397 57.244 54.840 0.011 0.000 0.747 543 L CB -0.663 41.402 42.059 0.010 0.000 0.896 543 L HN 0.557 nan 8.230 nan 0.000 0.432 544 D N -1.164 119.285 120.400 0.081 0.000 2.144 544 D HA -0.315 4.326 4.640 0.002 0.000 0.200 544 D C 2.024 178.395 176.300 0.119 0.000 0.978 544 D CA 1.128 55.180 54.000 0.086 0.000 0.833 544 D CB -0.662 40.191 40.800 0.088 0.000 0.961 544 D HN 0.352 nan 8.370 nan 0.000 0.470 545 F N 0.814 120.782 119.950 0.030 0.000 2.171 545 F HA -0.016 4.512 4.527 0.002 0.000 0.300 545 F C 1.919 177.749 175.800 0.049 0.000 1.090 545 F CA 0.740 58.764 58.000 0.041 0.000 1.293 545 F CB -0.467 38.564 39.000 0.051 0.000 1.013 545 F HN 0.068 nan 8.300 nan 0.000 0.486 546 L N 1.338 122.492 121.223 -0.115 0.000 1.994 546 L HA -0.042 4.299 4.340 0.002 0.000 0.208 546 L C -0.833 175.926 176.870 -0.184 0.000 1.071 546 L CA 2.099 56.832 54.840 -0.178 0.000 0.745 546 L CB -1.993 40.073 42.059 0.012 0.000 0.892 546 L HN -0.074 nan 8.230 nan 0.000 0.431 547 P HA -0.106 nan 4.420 nan 0.000 0.226 547 P C 1.254 178.489 177.300 -0.109 0.000 1.153 547 P CA 0.961 64.015 63.100 -0.076 0.000 0.777 547 P CB 0.086 31.771 31.700 -0.025 0.000 0.794 548 K N 0.253 120.561 120.400 -0.153 0.000 2.057 548 K HA -0.062 4.259 4.320 0.002 0.000 0.207 548 K C 0.875 177.368 176.600 -0.179 0.000 1.049 548 K CA 0.588 56.805 56.287 -0.117 0.000 0.931 548 K CB -0.954 31.525 32.500 -0.035 0.000 0.714 548 K HN 0.096 nan 8.250 nan 0.000 0.440 549 I N 2.220 122.557 120.570 -0.388 0.000 2.533 549 I HA -0.026 4.145 4.170 0.002 0.000 0.284 549 I C 0.140 176.167 176.117 -0.149 0.000 1.109 549 I CA -0.283 60.837 61.300 -0.300 0.000 1.412 549 I CB 0.382 38.114 38.000 -0.446 0.000 1.396 549 I HN 0.362 nan 8.210 nan 0.000 0.543 550 E N 7.067 127.222 120.200 -0.074 0.000 2.312 550 E HA 0.219 4.570 4.350 0.002 0.000 0.259 550 E C -0.816 175.769 176.600 -0.025 0.000 1.122 550 E CA -0.893 55.484 56.400 -0.039 0.000 0.922 550 E CB 0.482 30.171 29.700 -0.018 0.000 1.109 550 E HN 0.415 nan 8.360 nan 0.000 0.442 551 E N 1.771 121.965 120.200 -0.011 0.000 2.493 551 E HA 0.115 4.466 4.350 0.002 0.000 0.255 551 E C -0.522 176.084 176.600 0.009 0.000 0.999 551 E CA 0.415 56.817 56.400 0.004 0.000 0.934 551 E CB -0.021 29.684 29.700 0.009 0.000 0.940 551 E HN 0.396 nan 8.360 nan 0.000 0.473 552 N N 1.574 120.283 118.700 0.015 0.000 3.179 552 N HA 0.326 5.067 4.740 0.002 0.000 0.250 552 N C -0.900 174.615 175.510 0.008 0.000 1.507 552 N CA -0.650 52.408 53.050 0.014 0.000 0.883 552 N CB 0.831 39.326 38.487 0.013 0.000 1.435 552 N HN 0.158 nan 8.380 nan 0.000 0.532 553 L N 2.061 123.279 121.223 -0.010 0.000 2.265 553 L HA 0.347 4.688 4.340 0.002 0.000 0.288 553 L C 1.221 178.073 176.870 -0.032 0.000 1.058 553 L CA -0.443 54.362 54.840 -0.059 0.000 0.809 553 L CB 0.742 42.760 42.059 -0.067 0.000 1.179 553 L HN 0.548 nan 8.230 nan 0.000 0.429 554 I N 1.842 122.388 120.570 -0.040 0.000 2.202 554 I HA -0.175 3.997 4.170 0.002 0.000 0.242 554 I C 1.469 177.613 176.117 0.046 0.000 1.091 554 I CA 0.684 62.001 61.300 0.027 0.000 1.368 554 I CB -0.371 37.654 38.000 0.043 0.000 1.058 554 I HN 0.579 nan 8.210 nan 0.000 0.410 555 C N 2.767 122.052 119.300 -0.025 0.000 2.592 555 C HA 0.391 4.852 4.460 0.002 0.000 0.408 555 C C 1.045 176.058 174.990 0.038 0.000 1.436 555 C CA 0.466 59.487 59.018 0.005 0.000 1.595 555 C CB -2.206 25.490 27.740 -0.073 0.000 2.487 555 C HN 0.672 nan 8.230 nan 0.000 0.610 556 S N 5.226 120.986 115.700 0.100 0.000 2.806 556 S HA 0.459 4.930 4.470 0.002 0.000 0.294 556 S C -1.304 173.373 174.600 0.127 0.000 1.239 556 S CA -0.796 57.455 58.200 0.085 0.000 1.052 556 S CB 0.444 63.686 63.200 0.070 0.000 1.332 556 S HN 0.712 nan 8.310 nan 0.000 0.516 557 K N 0.089 120.551 120.400 0.102 0.000 2.120 557 K HA 0.318 4.639 4.320 0.002 0.000 0.245 557 K C 0.704 177.395 176.600 0.152 0.000 1.024 557 K CA -0.286 56.086 56.287 0.141 0.000 0.906 557 K CB 0.026 32.595 32.500 0.114 0.000 1.051 557 K HN 0.779 nan 8.250 nan 0.000 0.491 558 Y N 1.422 121.758 120.300 0.060 0.000 2.421 558 Y HA -0.196 4.355 4.550 0.002 0.000 0.292 558 Y C 1.709 177.524 175.900 -0.141 0.000 1.136 558 Y CA 1.958 60.012 58.100 -0.076 0.000 1.255 558 Y CB -0.154 38.225 38.460 -0.135 0.000 0.991 558 Y HN 0.639 nan 8.280 nan 0.000 0.552 559 T N 0.428 114.875 114.554 -0.179 0.000 2.685 559 T HA -0.250 4.101 4.350 0.002 0.000 0.268 559 T C 1.405 175.967 174.700 -0.230 0.000 1.034 559 T CA 1.832 63.824 62.100 -0.181 0.000 1.149 559 T CB -0.366 68.473 68.868 -0.049 0.000 0.860 559 T HN 0.473 nan 8.240 nan 0.000 0.449 560 D N 0.759 121.067 120.400 -0.154 0.000 2.123 560 D HA -0.063 4.578 4.640 0.002 0.000 0.196 560 D C 2.114 178.347 176.300 -0.112 0.000 0.992 560 D CA 0.707 54.660 54.000 -0.078 0.000 0.833 560 D CB -0.388 40.412 40.800 0.000 0.000 0.954 560 D HN 0.226 nan 8.370 nan 0.000 0.455 561 L N 1.129 122.204 121.223 -0.247 0.000 2.012 561 L HA -0.188 4.153 4.340 0.002 0.000 0.210 561 L C 2.175 178.927 176.870 -0.197 0.000 1.073 561 L CA 1.319 56.041 54.840 -0.197 0.000 0.748 561 L CB -0.333 41.480 42.059 -0.410 0.000 0.891 561 L HN -0.014 nan 8.230 nan 0.000 0.431 562 L N -0.951 120.078 121.223 -0.323 0.000 2.093 562 L HA -0.130 4.211 4.340 0.002 0.000 0.208 562 L C 2.692 179.529 176.870 -0.055 0.000 1.085 562 L CA 1.398 56.122 54.840 -0.192 0.000 0.755 562 L CB -1.822 40.113 42.059 -0.206 0.000 0.904 562 L HN 0.314 nan 8.230 nan 0.000 0.435 563 R N 1.323 121.795 120.500 -0.047 0.000 2.092 563 R HA -0.092 4.249 4.340 0.002 0.000 0.231 563 R C 2.264 178.568 176.300 0.007 0.000 1.119 563 R CA 1.038 57.144 56.100 0.009 0.000 0.970 563 R CB -0.426 29.880 30.300 0.010 0.000 0.864 563 R HN 0.470 nan 8.270 nan 0.000 0.440 564 I N -1.521 119.048 120.570 -0.001 0.000 2.394 564 I HA -0.046 4.125 4.170 0.002 0.000 0.251 564 I C 1.812 177.799 176.117 -0.218 0.000 1.136 564 I CA 1.797 63.081 61.300 -0.028 0.000 1.425 564 I CB -1.582 36.524 38.000 0.177 0.000 1.079 564 I HN 0.104 nan 8.210 nan 0.000 0.425 565 A N 1.846 124.590 122.820 -0.126 0.000 1.978 565 A HA -0.197 4.124 4.320 0.002 0.000 0.220 565 A C 2.288 179.910 177.584 0.062 0.000 1.170 565 A CA 1.772 53.761 52.037 -0.080 0.000 0.636 565 A CB -0.994 18.046 19.000 0.068 0.000 0.810 565 A HN 0.499 nan 8.150 nan 0.000 0.448 566 L N 0.364 121.663 121.223 0.126 0.000 2.261 566 L HA -0.192 4.149 4.340 0.002 0.000 0.216 566 L C 2.517 179.293 176.870 -0.157 0.000 1.114 566 L CA 2.336 57.204 54.840 0.047 0.000 0.777 566 L CB -0.643 41.460 42.059 0.073 0.000 0.910 566 L HN 0.659 nan 8.230 nan 0.000 0.440 567 M N -0.818 118.695 119.600 -0.145 0.000 2.080 567 M HA -0.025 4.456 4.480 0.002 0.000 0.260 567 M C 1.042 177.253 176.300 -0.149 0.000 1.068 567 M CA 1.759 56.977 55.300 -0.137 0.000 1.109 567 M CB -0.926 31.604 32.600 -0.118 0.000 1.342 567 M HN 0.193 nan 8.290 nan 0.000 0.405 568 A N 0.753 123.474 122.820 -0.164 0.000 2.271 568 A HA 0.300 4.622 4.320 0.002 0.000 0.317 568 A C 0.809 178.292 177.584 -0.168 0.000 1.245 568 A CA -0.579 51.380 52.037 -0.129 0.000 0.857 568 A CB 0.805 19.760 19.000 -0.074 0.000 1.175 568 A HN 0.538 nan 8.150 nan 0.000 0.512 569 E N 2.131 122.218 120.200 -0.188 0.000 2.150 569 E HA -0.207 4.144 4.350 0.002 0.000 0.193 569 E C 0.846 177.369 176.600 -0.129 0.000 0.985 569 E CA 1.479 57.737 56.400 -0.237 0.000 0.814 569 E CB 0.085 29.668 29.700 -0.196 0.000 0.752 569 E HN 0.875 nan 8.360 nan 0.000 0.466 570 D N 0.251 120.609 120.400 -0.071 0.000 2.351 570 D HA -0.130 4.511 4.640 0.002 0.000 0.216 570 D C -0.019 176.287 176.300 0.010 0.000 0.968 570 D CA 0.620 54.603 54.000 -0.027 0.000 0.899 570 D CB -0.094 40.693 40.800 -0.021 0.000 0.907 570 D HN 0.253 nan 8.370 nan 0.000 0.514 571 E N -0.567 119.654 120.200 0.035 0.000 2.212 571 E HA 0.524 4.875 4.350 0.002 0.000 0.270 571 E C 0.504 177.193 176.600 0.148 0.000 0.956 571 E CA -0.581 55.868 56.400 0.082 0.000 0.825 571 E CB 1.834 31.577 29.700 0.072 0.000 1.167 571 E HN -0.016 nan 8.360 nan 0.000 0.400 572 A N 2.275 125.179 122.820 0.140 0.000 1.969 572 A HA -0.137 4.184 4.320 0.002 0.000 0.218 572 A C 1.919 179.617 177.584 0.190 0.000 1.169 572 A CA 1.084 53.222 52.037 0.168 0.000 0.635 572 A CB -0.527 18.578 19.000 0.175 0.000 0.810 572 A HN 0.734 nan 8.150 nan 0.000 0.445 573 I N -1.585 119.094 120.570 0.181 0.000 2.208 573 I HA -0.280 3.891 4.170 0.002 0.000 0.245 573 I C 2.338 178.540 176.117 0.142 0.000 1.097 573 I CA 1.854 63.260 61.300 0.176 0.000 1.363 573 I CB -0.251 37.839 38.000 0.151 0.000 1.051 573 I HN 0.523 nan 8.210 nan 0.000 0.413 574 F N 1.810 121.782 119.950 0.036 0.000 2.134 574 F HA -0.225 4.303 4.527 0.002 0.000 0.299 574 F C 2.492 178.330 175.800 0.064 0.000 1.097 574 F CA 1.631 59.642 58.000 0.018 0.000 1.264 574 F CB -0.256 38.733 39.000 -0.017 0.000 1.001 574 F HN 0.018 nan 8.300 nan 0.000 0.479 575 E N 0.228 120.446 120.200 0.030 0.000 2.110 575 E HA -0.255 4.096 4.350 0.002 0.000 0.193 575 E C 2.064 178.602 176.600 -0.103 0.000 0.988 575 E CA 1.489 57.856 56.400 -0.055 0.000 0.804 575 E CB -0.346 29.418 29.700 0.107 0.000 0.745 575 E HN 0.457 nan 8.360 nan 0.000 0.458 576 E N 0.813 121.009 120.200 -0.007 0.000 2.106 576 E HA -0.092 4.259 4.350 0.002 0.000 0.192 576 E C 1.851 178.396 176.600 -0.090 0.000 0.984 576 E CA 1.216 57.617 56.400 0.000 0.000 0.806 576 E CB -0.245 29.560 29.700 0.174 0.000 0.750 576 E HN 0.215 nan 8.360 nan 0.000 0.458 577 A N 0.305 123.035 122.820 -0.150 0.000 1.902 577 A HA -0.245 4.076 4.320 0.002 0.000 0.217 577 A C 2.271 179.697 177.584 -0.264 0.000 1.181 577 A CA 1.863 53.785 52.037 -0.191 0.000 0.623 577 A CB -0.967 17.903 19.000 -0.216 0.000 0.818 577 A HN 0.533 nan 8.150 nan 0.000 0.443 578 H N -0.210 118.535 119.070 -0.541 0.000 2.389 578 H HA -0.091 4.466 4.556 0.002 0.000 0.299 578 H C 2.123 177.319 175.328 -0.220 0.000 1.081 578 H CA 1.881 57.672 56.048 -0.428 0.000 1.345 578 H CB -0.052 29.395 29.762 -0.524 0.000 1.393 578 H HN 0.560 nan 8.280 nan 0.000 0.520 579 K N 0.708 120.996 120.400 -0.187 0.000 2.026 579 K HA -0.169 4.152 4.320 0.002 0.000 0.208 579 K C 2.527 179.006 176.600 -0.203 0.000 1.048 579 K CA 1.812 57.991 56.287 -0.181 0.000 0.929 579 K CB 0.008 32.427 32.500 -0.136 0.000 0.713 579 K HN 0.538 nan 8.250 nan 0.000 0.439 580 Q N 0.577 120.285 119.800 -0.153 0.000 2.124 580 Q HA -0.135 4.206 4.340 0.002 0.000 0.202 580 Q C 2.119 178.082 176.000 -0.061 0.000 0.977 580 Q CA 1.620 57.370 55.803 -0.087 0.000 0.850 580 Q CB -0.764 27.982 28.738 0.013 0.000 0.901 580 Q HN 0.299 nan 8.270 nan 0.000 0.429 581 V N 0.643 120.494 119.914 -0.106 0.000 2.287 581 V HA -0.350 3.771 4.120 0.002 0.000 0.248 581 V C 2.462 178.456 176.094 -0.168 0.000 1.053 581 V CA 2.527 64.761 62.300 -0.110 0.000 1.027 581 V CB -0.642 31.077 31.823 -0.174 0.000 0.646 581 V HN 0.559 nan 8.190 nan 0.000 0.447 582 Q N 0.395 120.024 119.800 -0.285 0.000 2.061 582 Q HA -0.191 4.151 4.340 0.002 0.000 0.204 582 Q C 1.892 177.809 176.000 -0.138 0.000 0.984 582 Q CA 1.766 57.428 55.803 -0.234 0.000 0.846 582 Q CB -0.009 28.574 28.738 -0.259 0.000 0.902 582 Q HN 0.781 nan 8.270 nan 0.000 0.421 1356 ? N 0.000 9999.000 9999.000 0.000 0.000 0.000 1356 ? HA 0.000 9999.000 9999.000 0.002 0.000 0.000 1356 ? CA 0.000 9999.000 9999.000 -0.000 0.000 0.000 1356 ? CB 0.000 9999.000 9999.000 -0.001 0.000 0.000 1356 ? HN 0.000 nan 9999.000 nan 0.000 0.000