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 3ixw_1_E DATA FIRST_RESID 1 DATA SEQUENCE TVADKQARLM PLFKHLTALT REKLPLDQRD ERLKGVGILP RGTLFSCFHA DATA SEQUENCE RHLAEATELY VALYGAKDFN DFIHLCEQAR QIVNEGMFVY AVSVAVLHRE DATA SEQUENCE DCKGITVPPI QEVFPDRFVP AETINRANKE ASNHPDQQSI VVEAEETGNI DATA SEQUENCE LDPEYKLSYF REDIGINAHH WHWHIVYPAT WNPTVMGKEK DRKGELFFYM DATA SEQUENCE HQQMCARYDS ERLSNGLQRM IPFHNFDEPL EGYAPHLTSL VSGLQYASRP DATA SEQUENCE EGYSIHDLSD VDVQDMVRWR ERILDAINMH YIVDKDNNKI PLDIEHGTDI DATA SEQUENCE LGDIIESSDE SKNVEYYGSL HNWGHVMMAN ITDPDHRFQE NPGVMSDTST DATA SEQUENCE SLRDPIFYRW HRFIDNIFQE HKKSFHPYTK EELSFPGVEV VGVSINSKTA DATA SEQUENCE NVITTLIKES LLELSHGINF GTDQSVKVKY HHLDHEPFTY NIVVENNSGA DATA SEQUENCE EKHSTVRIFL APKYDELNNK LEPDEQRRLF IELDKFFYTL TPGKNTIVRN DATA SEQUENCE HQDSSVTISK VRTFDQLGAG EGVSEDSTEY CSCGWPEHML IPRGSHKGME DATA SEQUENCE FELFVMLTDH DEDTVAGLSE NAVCSDAVSY CGARDDRYPD KKAMGFPFDR DATA SEQUENCE KIEARTAAEF LTPNMGLTDI KIKFHG 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 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.550 174.700 -0.249 0.000 1.109 1 T CA 0.000 62.029 62.100 -0.119 0.000 1.349 1 T CB 0.000 68.823 68.868 -0.075 0.000 0.612 2 V N 1.913 121.638 119.914 -0.315 0.000 2.759 2 V HA -0.137 nan 4.120 nan 0.000 0.256 2 V C 1.220 177.137 176.094 -0.294 0.000 1.080 2 V CA 2.465 64.511 62.300 -0.422 0.000 1.101 2 V CB -0.525 31.061 31.823 -0.394 0.000 0.698 2 V HN 0.565 8.606 8.190 -0.248 0.000 0.477 3 A N 0.195 122.904 122.820 -0.185 0.000 1.835 3 A HA -0.315 nan 4.320 nan 0.000 0.215 3 A C 0.533 178.065 177.584 -0.086 0.000 1.199 3 A CA 3.549 55.511 52.037 -0.124 0.000 0.615 3 A CB -0.861 18.092 19.000 -0.078 0.000 0.838 3 A HN -0.064 7.979 8.150 -0.165 0.009 0.444 4 D N -1.868 118.506 120.400 -0.044 0.000 2.263 4 D HA -0.271 nan 4.640 nan 0.000 0.208 4 D C 2.148 178.506 176.300 0.097 0.000 0.971 4 D CA 2.829 56.851 54.000 0.036 0.000 0.867 4 D CB -0.651 40.191 40.800 0.071 0.000 0.929 4 D HN 0.044 8.384 8.370 -0.050 0.000 0.492 5 K N 0.455 120.840 120.400 -0.025 0.000 2.001 5 K HA -0.482 nan 4.320 nan 0.000 0.214 5 K C 2.367 179.013 176.600 0.076 0.000 1.050 5 K CA 3.112 59.366 56.287 -0.055 0.000 0.934 5 K CB -0.181 31.738 32.500 -0.968 0.000 0.718 5 K HN -0.055 8.090 8.250 -0.147 0.017 0.443 6 Q N -2.243 117.507 119.800 -0.083 0.000 2.077 6 Q HA -0.333 nan 4.340 nan 0.000 0.206 6 Q C 2.491 178.502 176.000 0.019 0.000 0.989 6 Q CA 2.878 58.647 55.803 -0.056 0.000 0.853 6 Q CB -0.030 28.631 28.738 -0.128 0.000 0.907 6 Q HN -0.579 7.577 8.270 -0.190 0.000 0.418 7 A N -3.644 119.199 122.820 0.040 0.000 2.248 7 A HA -0.158 nan 4.320 nan 0.000 0.210 7 A C 0.791 178.453 177.584 0.130 0.000 1.174 7 A CA 1.606 53.688 52.037 0.075 0.000 0.750 7 A CB -0.683 18.353 19.000 0.060 0.000 0.780 7 A HN -0.062 8.034 8.150 0.012 0.061 0.478 8 R N -3.371 117.240 120.500 0.185 0.000 2.121 8 R HA 0.080 nan 4.340 nan 0.000 0.206 8 R C 1.901 178.340 176.300 0.232 0.000 1.094 8 R CA 2.099 58.327 56.100 0.213 0.000 1.055 8 R CB 0.648 31.100 30.300 0.254 0.000 0.964 8 R HN -0.599 7.638 8.270 0.208 0.158 0.473 9 L N 0.256 121.634 121.223 0.259 0.000 1.976 9 L HA -0.351 nan 4.340 nan 0.000 0.209 9 L C 2.317 179.388 176.870 0.334 0.000 1.071 9 L CA 3.796 58.814 54.840 0.298 0.000 0.746 9 L CB -0.087 42.109 42.059 0.228 0.000 0.890 9 L HN -0.624 7.769 8.230 0.272 0.000 0.432 10 M N -2.724 116.950 119.600 0.124 0.000 2.117 10 M HA -0.285 nan 4.480 nan 0.000 0.262 10 M C -1.106 175.422 176.300 0.380 0.000 1.065 10 M CA 5.602 60.967 55.300 0.107 0.000 1.114 10 M CB -2.423 29.998 32.600 -0.299 0.000 1.361 10 M HN -0.559 7.767 8.290 0.060 0.000 0.408 11 P HA -0.282 nan 4.420 nan 0.000 0.217 11 P C 0.316 177.766 177.300 0.250 0.000 1.151 11 P CA 2.910 66.162 63.100 0.254 0.000 0.849 11 P CB -0.588 31.223 31.700 0.185 0.000 0.787 12 L N -5.520 115.871 121.223 0.281 0.000 2.093 12 L HA -0.221 nan 4.340 nan 0.000 0.208 12 L C 1.512 178.494 176.870 0.186 0.000 1.085 12 L CA 1.909 56.874 54.840 0.208 0.000 0.755 12 L CB -0.016 42.161 42.059 0.197 0.000 0.904 12 L HN -0.749 7.580 8.230 0.309 0.086 0.435 13 F N -4.344 115.714 119.950 0.181 0.000 2.802 13 F HA -0.145 nan 4.527 nan 0.000 0.300 13 F C 0.484 176.363 175.800 0.133 0.000 1.168 13 F CA 1.210 59.328 58.000 0.198 0.000 1.433 13 F CB -0.263 38.923 39.000 0.309 0.000 1.115 13 F HN -0.581 8.122 8.300 0.799 0.076 0.582 14 K N 0.561 121.106 120.400 0.243 0.000 2.110 14 K HA -0.139 nan 4.320 nan 0.000 0.260 14 K C -1.323 175.079 176.600 -0.330 0.000 1.126 14 K CA 0.624 56.824 56.287 -0.146 0.000 1.005 14 K CB -1.284 31.184 32.500 -0.053 0.000 1.336 14 K HN -0.349 7.940 8.250 0.342 0.167 0.369 15 H N -1.824 117.220 119.070 -0.044 0.000 3.138 15 H HA -0.360 nan 4.556 nan 0.000 0.337 15 H C -0.590 174.677 175.328 -0.100 0.000 1.347 15 H CA -0.132 55.857 56.048 -0.098 0.000 1.254 15 H CB -3.364 26.320 29.762 -0.130 0.000 1.456 15 H HN 0.241 8.279 8.280 -0.363 0.024 0.453 16 L N -0.315 120.855 121.223 -0.088 0.000 1.933 16 L HA -0.338 nan 4.340 nan 0.000 0.220 16 L C 1.116 177.920 176.870 -0.111 0.000 1.078 16 L CA 3.103 57.843 54.840 -0.167 0.000 0.773 16 L CB -0.320 41.558 42.059 -0.302 0.000 0.890 16 L HN -0.141 8.017 8.230 -0.120 0.000 0.434 17 T N 0.517 115.033 114.554 -0.064 0.000 2.653 17 T HA -0.544 nan 4.350 nan 0.000 0.267 17 T C 1.945 176.637 174.700 -0.012 0.000 1.037 17 T CA 4.346 66.460 62.100 0.022 0.000 1.159 17 T CB -1.056 67.867 68.868 0.092 0.000 0.859 17 T HN 0.290 8.465 8.240 -0.108 0.000 0.449 18 A N 0.699 123.504 122.820 -0.025 0.000 2.186 18 A HA -0.191 nan 4.320 nan 0.000 0.219 18 A C 2.357 179.907 177.584 -0.056 0.000 1.159 18 A CA 2.322 54.337 52.037 -0.037 0.000 0.680 18 A CB -1.159 17.818 19.000 -0.040 0.000 0.787 18 A HN 0.042 8.158 8.150 -0.021 0.020 0.467 19 L N -2.413 118.766 121.223 -0.073 0.000 2.191 19 L HA -0.363 nan 4.340 nan 0.000 0.212 19 L C 1.759 178.555 176.870 -0.124 0.000 1.103 19 L CA 2.345 57.125 54.840 -0.100 0.000 0.769 19 L CB -0.451 41.530 42.059 -0.130 0.000 0.908 19 L HN 0.138 8.276 8.230 -0.071 0.049 0.438 20 T N -1.746 112.742 114.554 -0.110 0.000 2.737 20 T HA -0.268 nan 4.350 nan 0.000 0.269 20 T C -0.185 174.451 174.700 -0.107 0.000 1.040 20 T CA 2.735 64.765 62.100 -0.117 0.000 1.142 20 T CB -0.023 68.805 68.868 -0.068 0.000 0.861 20 T HN -0.002 8.017 8.240 -0.082 0.171 0.456 21 R N 0.073 120.524 120.500 -0.081 0.000 2.265 21 R HA 0.250 nan 4.340 nan 0.000 0.328 21 R C -0.941 175.315 176.300 -0.072 0.000 0.969 21 R CA -0.139 55.917 56.100 -0.072 0.000 0.832 21 R CB 1.126 31.395 30.300 -0.053 0.000 1.139 21 R HN -0.810 7.398 8.270 -0.072 0.018 0.457 22 E N 3.697 123.852 120.200 -0.077 0.000 2.435 22 E HA 0.251 nan 4.350 nan 0.000 0.272 22 E C -1.809 174.755 176.600 -0.060 0.000 1.031 22 E CA -1.965 54.394 56.400 -0.068 0.000 0.872 22 E CB 4.600 34.253 29.700 -0.078 0.000 1.588 22 E HN 0.134 8.444 8.360 -0.084 0.000 0.460 23 K N 0.469 120.839 120.400 -0.050 0.000 2.276 23 K HA 0.065 nan 4.320 nan 0.000 0.283 23 K C -0.988 175.587 176.600 -0.042 0.000 1.044 23 K CA 0.541 56.804 56.287 -0.040 0.000 0.944 23 K CB 0.470 32.952 32.500 -0.031 0.000 1.012 23 K HN 0.344 8.565 8.250 -0.048 0.000 0.472 24 L N 5.278 126.477 121.223 -0.039 0.000 2.722 24 L HA 0.245 nan 4.340 nan 0.000 0.244 24 L C -2.127 174.725 176.870 -0.030 0.000 1.023 24 L CA -0.699 54.119 54.840 -0.036 0.000 0.988 24 L CB 0.347 42.375 42.059 -0.051 0.000 1.245 24 L HN -0.063 8.145 8.230 -0.037 0.000 0.508 25 P HA 0.015 nan 4.420 nan 0.000 0.216 25 P C -1.200 176.089 177.300 -0.019 0.000 1.150 25 P CA 1.304 64.392 63.100 -0.020 0.000 0.837 25 P CB 0.366 32.057 31.700 -0.016 0.000 0.786 26 L N -0.714 120.498 121.223 -0.017 0.000 2.476 26 L HA 0.255 nan 4.340 nan 0.000 0.269 26 L C 0.393 177.253 176.870 -0.017 0.000 0.965 26 L CA -0.917 53.914 54.840 -0.015 0.000 0.845 26 L CB 2.425 44.477 42.059 -0.011 0.000 1.259 26 L HN -0.708 7.486 8.230 -0.017 0.025 0.403 27 D N 4.046 124.435 120.400 -0.019 0.000 2.203 27 D HA -0.441 nan 4.640 nan 0.000 0.199 27 D C 0.794 177.086 176.300 -0.014 0.000 0.997 27 D CA 3.004 56.992 54.000 -0.020 0.000 0.863 27 D CB -0.221 40.568 40.800 -0.019 0.000 0.928 27 D HN 0.626 8.985 8.370 -0.018 0.000 0.458 28 Q N -0.661 119.134 119.800 -0.009 0.000 2.242 28 Q HA -0.358 nan 4.340 nan 0.000 0.211 28 Q C 2.277 178.276 176.000 -0.002 0.000 0.992 28 Q CA 2.481 58.281 55.803 -0.005 0.000 0.889 28 Q CB -1.157 27.579 28.738 -0.003 0.000 0.913 28 Q HN 0.257 8.487 8.270 -0.010 0.034 0.422 29 R N -0.942 119.557 120.500 -0.002 0.000 2.159 29 R HA -0.351 nan 4.340 nan 0.000 0.252 29 R C 1.487 177.790 176.300 0.005 0.000 1.144 29 R CA 1.999 58.101 56.100 0.004 0.000 0.961 29 R CB -0.301 30.002 30.300 0.005 0.000 0.877 29 R HN -0.590 7.654 8.270 -0.005 0.023 0.444 30 D N -1.734 118.664 120.400 -0.003 0.000 2.590 30 D HA 0.324 nan 4.640 nan 0.000 0.280 30 D C -0.288 176.011 176.300 -0.002 0.000 1.197 30 D CA -0.590 53.408 54.000 -0.003 0.000 0.967 30 D CB -0.205 40.586 40.800 -0.016 0.000 0.987 30 D HN -0.186 8.161 8.370 -0.008 0.019 0.508 31 E N 1.853 122.055 120.200 0.003 0.000 2.197 31 E HA -0.544 nan 4.350 nan 0.000 0.205 31 E C 1.839 178.443 176.600 0.006 0.000 1.029 31 E CA 3.503 59.906 56.400 0.005 0.000 0.828 31 E CB -0.510 29.195 29.700 0.008 0.000 0.737 31 E HN -0.304 7.988 8.360 0.004 0.070 0.464 32 R N -1.678 118.827 120.500 0.008 0.000 2.143 32 R HA -0.308 nan 4.340 nan 0.000 0.239 32 R C 1.525 177.829 176.300 0.007 0.000 1.126 32 R CA 2.262 58.369 56.100 0.010 0.000 0.927 32 R CB -0.268 30.040 30.300 0.012 0.000 0.860 32 R HN 0.094 8.382 8.270 0.009 -0.012 0.433 33 L N -3.608 117.615 121.223 -0.001 0.000 2.627 33 L HA 0.142 nan 4.340 nan 0.000 0.232 33 L C 0.230 177.096 176.870 -0.007 0.000 1.150 33 L CA -0.892 53.945 54.840 -0.006 0.000 0.917 33 L CB -0.951 41.100 42.059 -0.013 0.000 1.104 33 L HN -0.122 8.008 8.230 -0.003 0.098 0.445 34 K N 0.393 120.792 120.400 -0.002 0.000 2.163 34 K HA -0.460 nan 4.320 nan 0.000 0.222 34 K C 1.137 177.737 176.600 -0.000 0.000 0.990 34 K CA 2.849 59.135 56.287 -0.000 0.000 0.959 34 K CB -1.487 31.016 32.500 0.004 0.000 0.882 34 K HN -0.578 7.585 8.250 -0.000 0.086 0.472 35 G N -3.527 105.274 108.800 0.003 0.000 3.393 35 G HA2 0.100 nan 3.960 nan 0.000 0.255 35 G HA3 0.100 nan 3.960 nan 0.000 0.255 35 G C -1.752 173.153 174.900 0.007 0.000 1.097 35 G CA -0.726 44.378 45.100 0.008 0.000 0.780 35 G HN 0.087 8.341 8.290 0.003 0.037 0.540 36 V N 0.006 119.918 119.914 -0.003 0.000 2.483 36 V HA 0.335 nan 4.120 nan 0.000 0.297 36 V C -1.496 174.585 176.094 -0.021 0.000 1.027 36 V CA -0.668 61.626 62.300 -0.009 0.000 0.855 36 V CB 0.710 32.522 31.823 -0.019 0.000 0.995 36 V HN -0.543 7.565 8.190 -0.006 0.078 0.424 37 G N 7.809 116.598 108.800 -0.019 0.000 4.887 37 G HA2 0.089 nan 3.960 nan 0.000 0.220 37 G HA3 0.089 nan 3.960 nan 0.000 0.220 37 G C -0.627 174.260 174.900 -0.022 0.000 0.775 37 G CA 1.026 46.106 45.100 -0.032 0.000 1.041 37 G HN 0.443 8.730 8.290 -0.006 0.000 0.627 38 I N -2.720 117.849 120.570 -0.003 0.000 3.736 38 I HA 0.193 nan 4.170 nan 0.000 0.338 38 I C -1.268 174.874 176.117 0.042 0.000 1.558 38 I CA -1.485 59.828 61.300 0.021 0.000 1.147 38 I CB -0.161 37.861 38.000 0.037 0.000 1.275 38 I HN -0.513 7.697 8.210 -0.001 0.000 0.454 39 L N 2.396 123.616 121.223 -0.005 0.000 2.485 39 L HA 0.490 nan 4.340 nan 0.000 0.260 39 L C -2.526 174.311 176.870 -0.055 0.000 0.998 39 L CA -2.690 52.132 54.840 -0.030 0.000 0.883 39 L CB 2.910 44.882 42.059 -0.145 0.000 1.196 39 L HN -0.500 7.638 8.230 -0.032 0.073 0.443 40 P HA 0.318 nan 4.420 nan 0.000 0.284 40 P C -1.074 176.203 177.300 -0.039 0.000 1.343 40 P CA -0.752 62.326 63.100 -0.037 0.000 0.826 40 P CB -0.155 31.531 31.700 -0.022 0.000 0.956 41 R N 4.546 125.014 120.500 -0.053 0.000 3.657 41 R HA -0.379 nan 4.340 nan 0.000 0.533 41 R C 0.218 176.498 176.300 -0.033 0.000 0.241 41 R CA 1.245 57.317 56.100 -0.047 0.000 1.659 41 R CB -2.182 28.094 30.300 -0.040 0.000 0.920 41 R HN -0.114 8.117 8.270 -0.065 0.000 0.599 42 G N 0.696 109.485 108.800 -0.018 0.000 3.263 42 G HA2 -0.027 nan 3.960 nan 0.000 0.246 42 G HA3 -0.027 nan 3.960 nan 0.000 0.246 42 G C -0.897 174.001 174.900 -0.004 0.000 0.982 42 G CA -0.429 44.666 45.100 -0.008 0.000 1.897 42 G HN 0.335 8.615 8.290 -0.017 0.000 0.624 43 T N -0.666 113.886 114.554 -0.002 0.000 2.794 43 T HA 0.170 nan 4.350 nan 0.000 0.304 43 T C 1.201 175.919 174.700 0.031 0.000 0.973 43 T CA -1.626 60.484 62.100 0.017 0.000 0.972 43 T CB 0.486 69.365 68.868 0.017 0.000 0.952 43 T HN -0.571 7.567 8.240 -0.014 0.093 0.509 44 L N 6.241 127.488 121.223 0.041 0.000 2.949 44 L HA -0.109 nan 4.340 nan 0.000 0.263 44 L C -0.206 176.710 176.870 0.077 0.000 1.190 44 L CA -0.146 54.713 54.840 0.032 0.000 1.022 44 L CB -1.501 40.551 42.059 -0.012 0.000 1.313 44 L HN 0.431 8.690 8.230 0.049 0.000 0.413 45 F N -1.388 118.504 119.950 -0.096 0.000 2.121 45 F HA -0.400 nan 4.527 nan 0.000 0.470 45 F C -1.569 174.200 175.800 -0.053 0.000 1.232 45 F CA 0.044 57.966 58.000 -0.130 0.000 1.518 45 F CB -0.087 38.806 39.000 -0.179 0.000 2.410 45 F HN -0.648 7.737 8.300 0.143 0.000 0.729 46 S N 5.202 120.797 115.700 -0.175 0.000 2.422 46 S HA 0.219 nan 4.470 nan 0.000 0.298 46 S C 1.554 175.694 174.600 -0.768 0.000 1.118 46 S CA -1.246 56.750 58.200 -0.339 0.000 1.083 46 S CB 1.174 64.334 63.200 -0.068 0.000 0.971 46 S HN 0.288 8.704 8.310 0.175 0.000 0.478 47 C N 9.317 127.884 119.300 -1.222 0.000 2.419 47 C HA -0.177 nan 4.460 nan 0.000 0.283 47 C C 0.639 174.973 174.990 -1.093 0.000 1.373 47 C CA 2.208 60.336 59.018 -1.483 0.000 1.781 47 C CB -1.171 25.683 27.740 -1.476 0.000 1.886 47 C HN 1.058 8.705 8.230 -0.972 0.000 0.520 48 F N -5.236 114.518 119.950 -0.326 0.000 2.695 48 F HA 0.148 nan 4.527 nan 0.000 0.303 48 F C -0.538 175.069 175.800 -0.322 0.000 1.091 48 F CA -0.761 57.030 58.000 -0.348 0.000 1.300 48 F CB -0.080 38.721 39.000 -0.332 0.000 1.071 48 F HN -0.654 7.322 8.300 -0.493 0.028 0.578 49 H N 2.060 121.084 119.070 -0.077 0.000 3.026 49 H HA -0.080 nan 4.556 nan 0.000 0.289 49 H C 0.885 176.199 175.328 -0.024 0.000 1.022 49 H CA 0.351 56.399 56.048 0.000 0.000 1.477 49 H CB 1.245 30.994 29.762 -0.022 0.000 1.510 49 H HN -0.726 7.446 8.280 0.012 0.116 0.535 50 A N 8.056 130.651 122.820 -0.376 0.000 1.927 50 A HA -0.435 nan 4.320 nan 0.000 0.220 50 A C 1.672 179.242 177.584 -0.024 0.000 1.185 50 A CA 3.413 55.398 52.037 -0.087 0.000 0.639 50 A CB -0.257 18.854 19.000 0.184 0.000 0.820 50 A HN 0.551 8.581 8.150 -0.397 -0.119 0.451 51 R N -3.268 117.198 120.500 -0.057 0.000 2.120 51 R HA -0.351 nan 4.340 nan 0.000 0.234 51 R C 2.215 178.571 176.300 0.094 0.000 1.123 51 R CA 2.967 59.082 56.100 0.025 0.000 0.975 51 R CB -0.839 29.478 30.300 0.029 0.000 0.866 51 R HN 0.075 8.192 8.270 -0.212 0.026 0.446 52 H N -0.401 118.795 119.070 0.209 0.000 2.470 52 H HA -0.049 nan 4.556 nan 0.000 0.289 52 H C 2.802 178.225 175.328 0.158 0.000 1.033 52 H CA 1.837 58.011 56.048 0.210 0.000 1.331 52 H CB -0.408 29.598 29.762 0.407 0.000 1.414 52 H HN 0.214 8.497 8.280 0.060 0.033 0.545 53 L N -0.620 120.745 121.223 0.238 0.000 2.072 53 L HA -0.316 nan 4.340 nan 0.000 0.205 53 L C 1.573 178.531 176.870 0.146 0.000 1.079 53 L CA 2.572 57.518 54.840 0.177 0.000 0.752 53 L CB -0.608 41.519 42.059 0.113 0.000 0.906 53 L HN -0.653 7.693 8.230 0.194 0.000 0.436 54 A N -0.697 122.194 122.820 0.119 0.000 1.865 54 A HA -0.432 nan 4.320 nan 0.000 0.217 54 A C 2.108 179.735 177.584 0.070 0.000 1.191 54 A CA 3.272 55.367 52.037 0.097 0.000 0.623 54 A CB -1.106 17.947 19.000 0.087 0.000 0.826 54 A HN -0.448 7.769 8.150 0.112 0.000 0.444 55 E N -1.662 118.586 120.200 0.080 0.000 2.070 55 E HA -0.435 nan 4.350 nan 0.000 0.197 55 E C 2.478 179.048 176.600 -0.050 0.000 1.004 55 E CA 2.990 59.415 56.400 0.043 0.000 0.805 55 E CB -0.127 29.633 29.700 0.101 0.000 0.744 55 E HN 0.320 8.641 8.360 0.118 0.109 0.451 56 A N -2.046 120.717 122.820 -0.094 0.000 2.019 56 A HA -0.183 nan 4.320 nan 0.000 0.219 56 A C 2.121 179.380 177.584 -0.541 0.000 1.164 56 A CA 2.903 54.723 52.037 -0.362 0.000 0.644 56 A CB -0.693 18.098 19.000 -0.349 0.000 0.805 56 A HN -0.075 7.957 8.150 0.001 0.119 0.449 57 T N 0.444 114.933 114.554 -0.109 0.000 3.023 57 T HA -0.171 nan 4.350 nan 0.000 0.266 57 T C 1.734 176.471 174.700 0.062 0.000 1.093 57 T CA 3.684 65.862 62.100 0.129 0.000 1.129 57 T CB -0.705 68.312 68.868 0.248 0.000 0.899 57 T HN -0.055 8.024 8.240 -0.004 0.158 0.491 58 E N 2.722 122.922 120.200 0.001 0.000 2.049 58 E HA -0.340 nan 4.350 nan 0.000 0.198 58 E C 1.619 178.206 176.600 -0.022 0.000 1.007 58 E CA 3.312 59.712 56.400 -0.001 0.000 0.809 58 E CB -0.572 29.123 29.700 -0.008 0.000 0.749 58 E HN -0.435 7.924 8.360 -0.002 0.000 0.450 59 L N -1.260 119.893 121.223 -0.117 0.000 2.093 59 L HA -0.338 nan 4.340 nan 0.000 0.208 59 L C 2.427 179.256 176.870 -0.069 0.000 1.085 59 L CA 3.793 58.553 54.840 -0.134 0.000 0.755 59 L CB -0.247 41.675 42.059 -0.229 0.000 0.904 59 L HN -0.652 7.421 8.230 -0.159 0.062 0.435 60 Y N -2.269 118.096 120.300 0.108 0.000 2.163 60 Y HA -0.386 nan 4.550 nan 0.000 0.288 60 Y C 2.351 178.394 175.900 0.238 0.000 1.136 60 Y CA 3.261 61.475 58.100 0.191 0.000 1.147 60 Y CB -1.457 37.127 38.460 0.206 0.000 0.987 60 Y HN 0.210 8.117 8.280 -0.304 0.191 0.509 61 V N -4.079 115.992 119.914 0.262 0.000 2.427 61 V HA -0.392 nan 4.120 nan 0.000 0.248 61 V C 1.738 177.919 176.094 0.146 0.000 1.051 61 V CA 2.569 64.975 62.300 0.177 0.000 1.048 61 V CB -1.369 30.509 31.823 0.091 0.000 0.666 61 V HN -0.122 8.189 8.190 0.201 0.000 0.456 62 A N 0.825 123.707 122.820 0.102 0.000 1.841 62 A HA -0.280 nan 4.320 nan 0.000 0.216 62 A C 2.172 179.802 177.584 0.077 0.000 1.199 62 A CA 2.980 55.059 52.037 0.070 0.000 0.621 62 A CB -0.607 18.415 19.000 0.035 0.000 0.835 62 A HN -0.058 8.142 8.150 0.084 0.000 0.445 63 L N -2.023 119.234 121.223 0.056 0.000 2.131 63 L HA -0.334 nan 4.340 nan 0.000 0.210 63 L C 2.365 179.201 176.870 -0.057 0.000 1.092 63 L CA 2.605 57.433 54.840 -0.020 0.000 0.759 63 L CB -0.658 41.347 42.059 -0.090 0.000 0.903 63 L HN 0.060 8.218 8.230 0.069 0.113 0.435 64 Y N -3.097 117.249 120.300 0.077 0.000 2.274 64 Y HA -0.277 nan 4.550 nan 0.000 0.290 64 Y C 1.927 177.844 175.900 0.029 0.000 1.145 64 Y CA 2.332 60.455 58.100 0.038 0.000 1.203 64 Y CB -0.211 38.236 38.460 -0.022 0.000 0.984 64 Y HN -0.380 8.028 8.280 0.215 0.000 0.533 65 G N -1.441 107.460 108.800 0.169 0.000 3.102 65 G HA2 -0.070 nan 3.960 nan 0.000 0.264 65 G HA3 -0.070 nan 3.960 nan 0.000 0.264 65 G C -1.908 173.040 174.900 0.081 0.000 0.788 65 G CA -0.504 44.659 45.100 0.106 0.000 2.029 65 G HN -0.372 7.877 8.290 0.161 0.138 0.608 66 A N 2.336 125.207 122.820 0.085 0.000 2.274 66 A HA 0.379 nan 4.320 nan 0.000 0.297 66 A C -0.756 176.863 177.584 0.057 0.000 1.191 66 A CA -0.965 51.115 52.037 0.072 0.000 0.889 66 A CB 1.384 20.434 19.000 0.084 0.000 1.294 66 A HN -0.091 8.063 8.150 0.100 0.056 0.506 67 K N -1.060 119.370 120.400 0.051 0.000 2.253 67 K HA 0.074 nan 4.320 nan 0.000 0.225 67 K C -0.420 176.213 176.600 0.056 0.000 1.037 67 K CA 0.552 56.868 56.287 0.049 0.000 0.928 67 K CB 0.948 33.474 32.500 0.043 0.000 1.057 67 K HN 0.471 8.934 8.250 0.049 -0.183 0.462 68 D N -3.782 116.651 120.400 0.054 0.000 2.798 68 D HA 0.022 nan 4.640 nan 0.000 0.308 68 D C 0.019 176.349 176.300 0.051 0.000 1.187 68 D CA -1.085 52.969 54.000 0.091 0.000 1.033 68 D CB 1.046 41.914 40.800 0.114 0.000 1.445 68 D HN -0.568 7.824 8.370 0.038 0.000 0.550 69 F N -0.439 119.564 119.950 0.087 0.000 2.202 69 F HA -0.295 nan 4.527 nan 0.000 0.301 69 F C 1.075 176.994 175.800 0.199 0.000 1.082 69 F CA 3.161 61.239 58.000 0.131 0.000 1.313 69 F CB 0.456 39.500 39.000 0.074 0.000 1.024 69 F HN 0.234 8.752 8.300 0.364 0.000 0.495 70 N N -1.055 117.587 118.700 -0.096 0.000 2.132 70 N HA -0.251 nan 4.740 nan 0.000 0.187 70 N C 1.563 176.986 175.510 -0.145 0.000 1.038 70 N CA 2.985 55.971 53.050 -0.107 0.000 0.846 70 N CB -0.319 38.191 38.487 0.039 0.000 1.012 70 N HN -0.564 8.234 8.380 0.083 -0.369 0.429 71 D N 0.841 121.206 120.400 -0.059 0.000 2.182 71 D HA -0.285 nan 4.640 nan 0.000 0.201 71 D C 1.923 178.177 176.300 -0.076 0.000 0.986 71 D CA 3.098 57.085 54.000 -0.022 0.000 0.847 71 D CB 0.086 40.898 40.800 0.019 0.000 0.942 71 D HN -0.414 8.273 8.370 -0.020 -0.330 0.467 72 F N 0.659 120.418 119.950 -0.319 0.000 2.091 72 F HA -0.386 nan 4.527 nan 0.000 0.299 72 F C 1.320 176.867 175.800 -0.421 0.000 1.103 72 F CA 3.405 61.157 58.000 -0.413 0.000 1.228 72 F CB 0.089 38.703 39.000 -0.644 0.000 0.984 72 F HN -0.083 8.184 8.300 -0.054 0.000 0.477 73 I N -2.038 118.093 120.570 -0.731 0.000 2.252 73 I HA -0.528 nan 4.170 nan 0.000 0.245 73 I C 1.974 177.889 176.117 -0.336 0.000 1.102 73 I CA 2.252 63.171 61.300 -0.635 0.000 1.385 73 I CB -1.565 36.150 38.000 -0.475 0.000 1.064 73 I HN -0.459 7.284 8.210 -0.614 0.099 0.414 74 H N 1.304 120.222 119.070 -0.254 0.000 2.321 74 H HA -0.294 nan 4.556 nan 0.000 0.300 74 H C 2.312 177.559 175.328 -0.134 0.000 1.087 74 H CA 3.527 59.485 56.048 -0.150 0.000 1.319 74 H CB 0.051 29.754 29.762 -0.099 0.000 1.379 74 H HN -0.443 7.686 8.280 -0.128 0.074 0.501 75 L N -1.139 119.840 121.223 -0.407 0.000 2.043 75 L HA -0.393 nan 4.340 nan 0.000 0.212 75 L C 1.571 178.302 176.870 -0.231 0.000 1.075 75 L CA 3.632 58.275 54.840 -0.328 0.000 0.752 75 L CB -0.520 41.430 42.059 -0.181 0.000 0.891 75 L HN -0.119 7.960 8.230 -0.252 0.000 0.432 76 C N -1.766 117.386 119.300 -0.246 0.000 2.432 76 C HA -0.374 nan 4.460 nan 0.000 0.280 76 C C 2.265 177.248 174.990 -0.011 0.000 1.353 76 C CA 3.105 62.136 59.018 0.022 0.000 1.766 76 C CB -2.216 25.354 27.740 -0.285 0.000 1.924 76 C HN -0.242 7.666 8.230 -0.415 0.074 0.509 77 E N 0.552 120.655 120.200 -0.160 0.000 2.031 77 E HA -0.446 nan 4.350 nan 0.000 0.193 77 E C 1.659 178.129 176.600 -0.215 0.000 0.994 77 E CA 3.262 59.580 56.400 -0.138 0.000 0.800 77 E CB -0.310 29.356 29.700 -0.056 0.000 0.752 77 E HN 0.128 8.256 8.360 -0.227 0.096 0.447 78 Q N -1.094 118.522 119.800 -0.305 0.000 1.969 78 Q HA -0.207 nan 4.340 nan 0.000 0.198 78 Q C 2.567 178.409 176.000 -0.264 0.000 0.978 78 Q CA 2.702 58.343 55.803 -0.269 0.000 0.830 78 Q CB 0.329 28.861 28.738 -0.343 0.000 0.896 78 Q HN -0.305 7.711 8.270 -0.424 0.000 0.431 79 A N -0.970 121.701 122.820 -0.248 0.000 1.978 79 A HA -0.303 nan 4.320 nan 0.000 0.220 79 A C 1.928 179.208 177.584 -0.508 0.000 1.170 79 A CA 3.151 55.045 52.037 -0.238 0.000 0.636 79 A CB -0.983 18.004 19.000 -0.022 0.000 0.810 79 A HN 0.132 8.158 8.150 -0.207 0.000 0.448 80 R N -2.080 117.855 120.500 -0.943 0.000 2.127 80 R HA -0.328 nan 4.340 nan 0.000 0.238 80 R C 2.536 178.517 176.300 -0.531 0.000 1.134 80 R CA 2.760 58.170 56.100 -1.149 0.000 0.975 80 R CB -0.352 29.310 30.300 -1.063 0.000 0.865 80 R HN 0.100 7.863 8.270 -0.787 0.035 0.447 81 Q N -2.231 117.359 119.800 -0.350 0.000 2.368 81 Q HA -0.269 nan 4.340 nan 0.000 0.210 81 Q C 1.174 177.068 176.000 -0.177 0.000 0.982 81 Q CA 2.724 58.397 55.803 -0.217 0.000 0.884 81 Q CB 0.058 28.702 28.738 -0.156 0.000 0.933 81 Q HN 0.038 7.959 8.270 -0.345 0.142 0.460 82 I N -5.565 114.889 120.570 -0.194 0.000 4.433 82 I HA 0.072 nan 4.170 nan 0.000 0.322 82 I C -2.068 173.963 176.117 -0.144 0.000 1.284 82 I CA -0.273 60.942 61.300 -0.141 0.000 1.269 82 I CB 2.252 40.185 38.000 -0.111 0.000 1.219 82 I HN -0.686 7.325 8.210 -0.245 0.051 0.436 83 V N -5.367 114.434 119.914 -0.189 0.000 3.083 83 V HA 0.096 nan 4.120 nan 0.000 0.306 83 V C -0.975 175.047 176.094 -0.120 0.000 1.077 83 V CA -2.593 59.619 62.300 -0.146 0.000 1.073 83 V CB 0.624 32.377 31.823 -0.116 0.000 1.081 83 V HN -0.955 7.074 8.190 -0.268 0.000 0.474 84 N N -0.181 118.445 118.700 -0.124 0.000 2.399 84 N HA -0.199 nan 4.740 nan 0.000 0.284 84 N C 1.198 176.682 175.510 -0.043 0.000 1.283 84 N CA 0.405 53.385 53.050 -0.117 0.000 0.972 84 N CB -0.342 38.014 38.487 -0.218 0.000 1.328 84 N HN 0.243 8.532 8.380 -0.152 0.000 0.486 85 E N 6.211 126.425 120.200 0.023 0.000 2.169 85 E HA -0.406 nan 4.350 nan 0.000 0.202 85 E C 1.756 178.494 176.600 0.229 0.000 1.016 85 E CA 2.956 59.439 56.400 0.138 0.000 0.817 85 E CB -1.425 28.353 29.700 0.130 0.000 0.736 85 E HN 0.224 8.580 8.360 -0.006 0.000 0.462 86 G N -0.901 107.983 108.800 0.140 0.000 2.469 86 G HA2 -0.282 nan 3.960 nan 0.000 0.219 86 G HA3 -0.282 nan 3.960 nan 0.000 0.219 86 G C 1.521 176.574 174.900 0.254 0.000 1.150 86 G CA 1.755 46.960 45.100 0.175 0.000 0.763 86 G HN 0.332 8.650 8.290 0.075 0.017 0.561 87 M N 1.941 121.559 119.600 0.030 0.000 2.156 87 M HA -0.288 nan 4.480 nan 0.000 0.264 87 M C 0.977 177.385 176.300 0.180 0.000 1.067 87 M CA 3.253 58.530 55.300 -0.037 0.000 1.131 87 M CB 0.122 32.493 32.600 -0.381 0.000 1.368 87 M HN -0.077 8.049 8.290 -0.071 0.121 0.416 88 F N -0.090 119.889 119.950 0.048 0.000 2.069 88 F HA -0.427 nan 4.527 nan 0.000 0.298 88 F C 1.450 177.382 175.800 0.220 0.000 1.113 88 F CA 4.372 62.423 58.000 0.084 0.000 1.214 88 F CB -0.096 38.914 39.000 0.017 0.000 0.978 88 F HN -0.527 7.867 8.300 0.258 0.061 0.474 89 V N -0.504 119.641 119.914 0.385 0.000 2.392 89 V HA -0.484 nan 4.120 nan 0.000 0.249 89 V C 1.033 177.420 176.094 0.487 0.000 1.059 89 V CA 4.177 66.764 62.300 0.479 0.000 1.051 89 V CB -0.906 31.322 31.823 0.675 0.000 0.658 89 V HN 0.459 8.929 8.190 0.467 0.000 0.455 90 Y N 0.580 121.112 120.300 0.387 0.000 2.224 90 Y HA -0.476 nan 4.550 nan 0.000 0.289 90 Y C 1.261 177.292 175.900 0.219 0.000 1.146 90 Y CA 4.066 62.361 58.100 0.324 0.000 1.182 90 Y CB -0.355 38.249 38.460 0.240 0.000 0.983 90 Y HN -0.503 8.063 8.280 0.607 0.078 0.524 91 A N -1.200 121.771 122.820 0.252 0.000 1.874 91 A HA -0.288 nan 4.320 nan 0.000 0.214 91 A C 1.799 179.372 177.584 -0.018 0.000 1.189 91 A CA 3.064 55.178 52.037 0.128 0.000 0.615 91 A CB -0.484 18.499 19.000 -0.028 0.000 0.830 91 A HN 0.190 8.398 8.150 0.253 0.093 0.443 92 V N -4.274 115.562 119.914 -0.130 0.000 2.515 92 V HA -0.345 nan 4.120 nan 0.000 0.250 92 V C 1.928 178.089 176.094 0.111 0.000 1.058 92 V CA 3.804 66.080 62.300 -0.040 0.000 1.064 92 V CB -1.254 30.505 31.823 -0.106 0.000 0.675 92 V HN 0.424 8.479 8.190 -0.226 0.000 0.461 93 S N 0.032 115.809 115.700 0.129 0.000 2.414 93 S HA -0.151 nan 4.470 nan 0.000 0.227 93 S C 2.084 176.695 174.600 0.018 0.000 1.022 93 S CA 3.091 61.353 58.200 0.104 0.000 0.958 93 S CB -0.174 63.153 63.200 0.212 0.000 0.797 93 S HN 0.053 8.356 8.310 0.165 0.107 0.493 94 V N 2.033 121.951 119.914 0.008 0.000 2.515 94 V HA -0.363 nan 4.120 nan 0.000 0.250 94 V C 1.518 177.754 176.094 0.236 0.000 1.058 94 V CA 3.585 65.955 62.300 0.117 0.000 1.064 94 V CB -1.035 30.861 31.823 0.122 0.000 0.675 94 V HN -0.274 7.910 8.190 -0.011 0.000 0.461 95 A N -0.074 122.792 122.820 0.077 0.000 1.855 95 A HA -0.176 nan 4.320 nan 0.000 0.215 95 A C 2.218 179.812 177.584 0.016 0.000 1.191 95 A CA 3.724 55.764 52.037 0.006 0.000 0.613 95 A CB -0.327 18.677 19.000 0.007 0.000 0.829 95 A HN 0.200 8.374 8.150 0.041 0.000 0.442 96 V N -1.842 118.116 119.914 0.074 0.000 3.620 96 V HA -0.017 nan 4.120 nan 0.000 0.286 96 V C -0.017 176.054 176.094 -0.037 0.000 1.288 96 V CA 1.294 63.648 62.300 0.090 0.000 1.178 96 V CB -1.155 30.854 31.823 0.309 0.000 0.986 96 V HN -0.033 8.118 8.190 0.111 0.105 0.431 97 L N -2.263 118.857 121.223 -0.171 0.000 2.253 97 L HA -0.050 nan 4.340 nan 0.000 0.205 97 L C 0.363 176.991 176.870 -0.403 0.000 1.078 97 L CA 2.133 56.720 54.840 -0.422 0.000 0.805 97 L CB 1.083 42.643 42.059 -0.833 0.000 0.963 97 L HN -0.742 7.366 8.230 -0.133 0.042 0.459 98 H N -7.453 111.643 119.070 0.044 0.000 3.233 98 H HA 0.214 nan 4.556 nan 0.000 0.263 98 H C -0.668 174.763 175.328 0.171 0.000 1.168 98 H CA -0.672 55.437 56.048 0.100 0.000 1.159 98 H CB 1.537 31.413 29.762 0.189 0.000 1.593 98 H HN -0.160 7.989 8.280 0.005 0.134 0.580 99 R N 0.479 121.093 120.500 0.189 0.000 2.295 99 R HA 0.305 nan 4.340 nan 0.000 0.324 99 R C 0.550 176.891 176.300 0.069 0.000 0.968 99 R CA -1.824 54.360 56.100 0.140 0.000 0.837 99 R CB 0.116 30.475 30.300 0.099 0.000 1.133 99 R HN -0.599 7.723 8.270 0.087 0.000 0.450 100 E N 3.326 123.580 120.200 0.089 0.000 2.533 100 E HA -0.216 nan 4.350 nan 0.000 0.201 100 E C -0.043 176.591 176.600 0.058 0.000 1.097 100 E CA 1.243 57.683 56.400 0.068 0.000 0.887 100 E CB -0.708 29.031 29.700 0.065 0.000 0.855 100 E HN 0.584 9.004 8.360 0.101 0.000 0.540 101 D N -2.922 117.542 120.400 0.108 0.000 2.336 101 D HA 0.031 nan 4.640 nan 0.000 0.228 101 D C 0.205 176.545 176.300 0.067 0.000 1.120 101 D CA 0.311 54.404 54.000 0.154 0.000 0.839 101 D CB -0.485 40.493 40.800 0.298 0.000 0.932 101 D HN -0.278 8.079 8.370 0.120 0.085 0.509 102 C N -2.411 116.862 119.300 -0.044 0.000 3.559 102 C HA 0.064 nan 4.460 nan 0.000 0.314 102 C C -0.560 174.243 174.990 -0.312 0.000 1.419 102 C CA -1.163 57.715 59.018 -0.233 0.000 1.775 102 C CB 1.217 28.977 27.740 0.033 0.000 2.430 102 C HN -0.276 7.865 8.230 -0.015 0.079 0.686 103 K N 1.400 121.664 120.400 -0.226 0.000 2.530 103 K HA -0.345 nan 4.320 nan 0.000 0.280 103 K C 0.886 177.326 176.600 -0.266 0.000 1.004 103 K CA 2.099 58.264 56.287 -0.204 0.000 1.071 103 K CB -0.277 32.133 32.500 -0.149 0.000 0.876 103 K HN -0.307 7.831 8.250 -0.185 0.000 0.487 104 G N 2.202 110.841 108.800 -0.269 0.000 2.132 104 G HA2 -0.407 nan 3.960 nan 0.000 0.234 104 G HA3 -0.407 nan 3.960 nan 0.000 0.234 104 G C -1.192 173.498 174.900 -0.350 0.000 0.989 104 G CA -0.029 44.868 45.100 -0.338 0.000 0.676 104 G HN 0.212 8.367 8.290 -0.230 -0.003 0.522 105 I N 0.312 120.702 120.570 -0.300 0.000 2.321 105 I HA 0.099 nan 4.170 nan 0.000 0.291 105 I C -1.396 174.602 176.117 -0.197 0.000 0.998 105 I CA -1.794 59.360 61.300 -0.243 0.000 1.227 105 I CB 0.518 38.408 38.000 -0.183 0.000 1.368 105 I HN -0.685 7.329 8.210 -0.266 0.036 0.466 106 T N 9.140 123.568 114.554 -0.210 0.000 2.837 106 T HA 0.080 nan 4.350 nan 0.000 0.285 106 T C -0.401 174.196 174.700 -0.171 0.000 0.984 106 T CA -1.175 60.824 62.100 -0.169 0.000 1.049 106 T CB 1.060 69.835 68.868 -0.155 0.000 0.947 106 T HN -0.382 7.980 8.240 -0.222 -0.255 0.472 107 V N 5.672 125.503 119.914 -0.138 0.000 2.521 107 V HA 0.022 nan 4.120 nan 0.000 0.286 107 V C -1.083 174.892 176.094 -0.198 0.000 1.034 107 V CA -2.515 59.695 62.300 -0.150 0.000 1.045 107 V CB -0.728 31.050 31.823 -0.075 0.000 0.974 107 V HN 0.450 8.573 8.190 -0.111 0.000 0.480 108 P HA 0.083 nan 4.420 nan 0.000 0.260 108 P C -2.650 174.650 177.300 -0.000 0.000 1.185 108 P CA -0.915 62.012 63.100 -0.288 0.000 0.763 108 P CB 0.139 31.518 31.700 -0.536 0.000 0.776 109 P HA -0.005 nan 4.420 nan 0.000 0.265 109 P C 0.965 178.339 177.300 0.123 0.000 1.222 109 P CA -0.125 63.046 63.100 0.119 0.000 0.767 109 P CB 0.384 32.136 31.700 0.087 0.000 0.801 110 I N 0.337 120.986 120.570 0.131 0.000 2.423 110 I HA -0.510 nan 4.170 nan 0.000 0.254 110 I C 0.792 176.918 176.117 0.016 0.000 1.151 110 I CA 3.301 64.655 61.300 0.091 0.000 1.421 110 I CB -0.298 37.648 38.000 -0.090 0.000 1.079 110 I HN 0.119 8.459 8.210 0.218 0.000 0.431 111 Q N -1.575 118.061 119.800 -0.274 0.000 2.172 111 Q HA -0.279 nan 4.340 nan 0.000 0.200 111 Q C 1.176 176.987 176.000 -0.315 0.000 0.964 111 Q CA 3.096 58.422 55.803 -0.795 0.000 0.855 111 Q CB -0.693 27.489 28.738 -0.926 0.000 0.918 111 Q HN 0.165 8.274 8.270 -0.170 0.060 0.444 112 E N -2.655 117.465 120.200 -0.134 0.000 2.216 112 E HA -0.038 nan 4.350 nan 0.000 0.192 112 E C 1.457 178.048 176.600 -0.015 0.000 0.973 112 E CA 1.518 57.883 56.400 -0.058 0.000 0.851 112 E CB 1.349 31.008 29.700 -0.070 0.000 0.804 112 E HN -0.422 7.746 8.360 -0.099 0.132 0.477 113 V N -5.818 114.108 119.914 0.020 0.000 2.788 113 V HA -0.096 nan 4.120 nan 0.000 0.251 113 V C -0.123 175.753 176.094 -0.364 0.000 1.068 113 V CA 1.917 64.152 62.300 -0.109 0.000 1.090 113 V CB 0.270 32.112 31.823 0.032 0.000 0.710 113 V HN -0.109 8.021 8.190 0.079 0.107 0.467 114 F N -1.558 118.460 119.950 0.113 0.000 2.660 114 F HA 0.586 nan 4.527 nan 0.000 0.352 114 F C -1.496 174.424 175.800 0.200 0.000 1.257 114 F CA -3.618 54.467 58.000 0.142 0.000 1.200 114 F CB 1.211 40.291 39.000 0.134 0.000 1.473 114 F HN -0.415 7.878 8.300 0.177 0.114 0.561 115 P HA -0.142 nan 4.420 nan 0.000 0.226 115 P C 0.640 178.144 177.300 0.340 0.000 1.153 115 P CA 1.954 65.204 63.100 0.248 0.000 0.777 115 P CB 0.039 31.818 31.700 0.131 0.000 0.794 116 D N -1.433 119.158 120.400 0.319 0.000 2.123 116 D HA -0.337 nan 4.640 nan 0.000 0.196 116 D C 0.353 176.790 176.300 0.227 0.000 0.992 116 D CA 2.648 56.806 54.000 0.263 0.000 0.833 116 D CB -1.762 39.203 40.800 0.276 0.000 0.954 116 D HN 0.426 8.943 8.370 0.354 0.065 0.455 117 R N -3.505 117.125 120.500 0.217 0.000 2.339 117 R HA -0.130 nan 4.340 nan 0.000 0.199 117 R C 0.474 176.603 176.300 -0.285 0.000 1.018 117 R CA 1.257 57.321 56.100 -0.060 0.000 1.036 117 R CB -0.555 29.657 30.300 -0.147 0.000 0.899 117 R HN -0.281 8.176 8.270 0.313 0.000 0.473 118 F N -2.828 117.121 119.950 -0.001 0.000 2.592 118 F HA 0.087 nan 4.527 nan 0.000 0.280 118 F C -0.534 175.253 175.800 -0.021 0.000 1.083 118 F CA 2.438 60.416 58.000 -0.037 0.000 1.365 118 F CB 2.273 41.241 39.000 -0.054 0.000 1.100 118 F HN -0.354 7.954 8.300 0.342 0.197 0.633 119 V N -6.148 113.886 119.914 0.200 0.000 3.096 119 V HA 0.531 nan 4.120 nan 0.000 0.319 119 V C -2.511 173.660 176.094 0.129 0.000 1.103 119 V CA -4.049 58.338 62.300 0.146 0.000 1.016 119 V CB -0.192 31.718 31.823 0.146 0.000 1.090 119 V HN -0.560 7.768 8.190 0.230 0.000 0.449 120 P HA -0.033 nan 4.420 nan 0.000 0.267 120 P C -0.522 176.847 177.300 0.116 0.000 1.209 120 P CA 0.011 63.180 63.100 0.115 0.000 0.763 120 P CB -0.109 31.639 31.700 0.081 0.000 0.816 121 A N 6.886 129.780 122.820 0.125 0.000 1.954 121 A HA -0.477 nan 4.320 nan 0.000 0.222 121 A C 1.840 179.479 177.584 0.093 0.000 1.199 121 A CA 3.583 55.687 52.037 0.112 0.000 0.657 121 A CB -0.545 18.521 19.000 0.110 0.000 0.823 121 A HN 0.873 9.001 8.150 0.140 0.107 0.463 122 E N -3.129 117.123 120.200 0.086 0.000 2.038 122 E HA -0.365 nan 4.350 nan 0.000 0.195 122 E C 2.128 178.771 176.600 0.071 0.000 1.000 122 E CA 3.331 59.773 56.400 0.070 0.000 0.803 122 E CB -0.319 29.415 29.700 0.057 0.000 0.750 122 E HN 0.242 8.649 8.360 0.095 0.010 0.448 123 T N 0.775 115.377 114.554 0.080 0.000 3.085 123 T HA -0.049 nan 4.350 nan 0.000 0.263 123 T C 2.454 177.207 174.700 0.088 0.000 1.127 123 T CA 2.601 64.751 62.100 0.084 0.000 1.103 123 T CB -0.763 68.162 68.868 0.095 0.000 0.921 123 T HN -0.408 7.788 8.240 0.085 0.095 0.510 124 I N 2.774 123.400 120.570 0.093 0.000 2.193 124 I HA -0.505 nan 4.170 nan 0.000 0.240 124 I C 0.930 177.095 176.117 0.079 0.000 1.084 124 I CA 4.064 65.420 61.300 0.094 0.000 1.365 124 I CB -0.267 37.795 38.000 0.104 0.000 1.064 124 I HN -0.301 7.940 8.210 0.096 0.026 0.410 125 N N -0.377 118.366 118.700 0.073 0.000 2.149 125 N HA -0.370 nan 4.740 nan 0.000 0.188 125 N C 2.552 178.096 175.510 0.057 0.000 1.019 125 N CA 3.847 56.934 53.050 0.060 0.000 0.857 125 N CB 0.166 38.687 38.487 0.056 0.000 0.997 125 N HN -0.099 8.328 8.380 0.077 0.000 0.426 126 R N -1.329 119.208 120.500 0.061 0.000 2.057 126 R HA -0.244 nan 4.340 nan 0.000 0.229 126 R C 1.749 178.088 176.300 0.065 0.000 1.136 126 R CA 3.243 59.379 56.100 0.060 0.000 0.952 126 R CB -0.153 30.182 30.300 0.060 0.000 0.848 126 R HN 0.369 8.562 8.270 0.065 0.117 0.430 127 A N -0.931 121.931 122.820 0.069 0.000 1.883 127 A HA -0.329 nan 4.320 nan 0.000 0.217 127 A C 2.228 179.857 177.584 0.076 0.000 1.186 127 A CA 3.098 55.179 52.037 0.073 0.000 0.624 127 A CB -0.935 18.111 19.000 0.077 0.000 0.822 127 A HN -0.568 7.625 8.150 0.072 0.000 0.444 128 N N -1.786 116.957 118.700 0.072 0.000 2.021 128 N HA -0.394 nan 4.740 nan 0.000 0.198 128 N C 2.227 177.770 175.510 0.056 0.000 1.041 128 N CA 3.069 56.156 53.050 0.063 0.000 0.862 128 N CB -0.579 37.941 38.487 0.054 0.000 1.048 128 N HN -0.218 8.206 8.380 0.073 0.000 0.427 129 K N 0.102 120.533 120.400 0.052 0.000 2.209 129 K HA -0.297 nan 4.320 nan 0.000 0.204 129 K C 2.690 179.323 176.600 0.055 0.000 1.048 129 K CA 2.946 59.259 56.287 0.043 0.000 0.940 129 K CB -0.002 32.520 32.500 0.037 0.000 0.729 129 K HN 0.037 8.140 8.250 0.054 0.180 0.451 130 E N -0.571 119.677 120.200 0.080 0.000 2.152 130 E HA -0.282 nan 4.350 nan 0.000 0.192 130 E C 1.989 178.672 176.600 0.138 0.000 0.983 130 E CA 2.750 59.227 56.400 0.127 0.000 0.818 130 E CB -0.157 29.621 29.700 0.130 0.000 0.758 130 E HN 0.086 8.360 8.360 0.076 0.131 0.467 131 A N -0.919 121.962 122.820 0.101 0.000 1.933 131 A HA -0.198 nan 4.320 nan 0.000 0.218 131 A C 1.960 179.584 177.584 0.067 0.000 1.175 131 A CA 3.055 55.149 52.037 0.094 0.000 0.628 131 A CB -0.589 18.466 19.000 0.092 0.000 0.814 131 A HN -0.242 7.962 8.150 0.090 0.000 0.444 132 S N -2.365 113.361 115.700 0.043 0.000 2.453 132 S HA -0.169 nan 4.470 nan 0.000 0.231 132 S C 1.373 175.964 174.600 -0.015 0.000 1.005 132 S CA 2.188 60.396 58.200 0.014 0.000 0.949 132 S CB 0.148 63.352 63.200 0.006 0.000 0.774 132 S HN -0.321 8.016 8.310 0.046 0.000 0.510 133 N N -0.169 118.518 118.700 -0.021 0.000 2.333 133 N HA -0.086 nan 4.740 nan 0.000 0.178 133 N C 0.091 175.387 175.510 -0.357 0.000 1.018 133 N CA 1.417 54.369 53.050 -0.164 0.000 0.882 133 N CB 1.003 39.395 38.487 -0.157 0.000 0.984 133 N HN -0.368 7.790 8.380 0.031 0.241 0.434 134 H N -1.349 117.731 119.070 0.016 0.000 2.854 134 H HA 0.367 nan 4.556 nan 0.000 0.275 134 H C -2.340 172.999 175.328 0.018 0.000 1.198 134 H CA -2.662 53.395 56.048 0.015 0.000 1.489 134 H CB 0.463 30.234 29.762 0.014 0.000 1.519 134 H HN -0.155 8.202 8.280 0.128 0.000 0.503 135 P HA -0.059 nan 4.420 nan 0.000 0.259 135 P C -1.518 175.823 177.300 0.068 0.000 1.635 135 P CA 0.455 63.594 63.100 0.065 0.000 1.199 135 P CB -0.504 31.217 31.700 0.035 0.000 1.850 136 D N 1.056 121.502 120.400 0.077 0.000 2.579 136 D HA 0.095 nan 4.640 nan 0.000 0.257 136 D C -0.874 175.453 176.300 0.044 0.000 1.176 136 D CA -1.689 52.344 54.000 0.056 0.000 0.914 136 D CB 2.321 43.154 40.800 0.055 0.000 1.431 136 D HN -0.547 7.859 8.370 0.090 0.019 0.454 137 Q N -1.012 118.803 119.800 0.025 0.000 2.451 137 Q HA -0.054 nan 4.340 nan 0.000 0.206 137 Q C 0.356 176.347 176.000 -0.015 0.000 0.947 137 Q CA 0.661 56.468 55.803 0.007 0.000 0.937 137 Q CB 0.524 29.262 28.738 0.001 0.000 1.025 137 Q HN 0.289 8.572 8.270 0.022 0.000 0.511 138 Q N 0.797 120.589 119.800 -0.013 0.000 2.286 138 Q HA -0.184 nan 4.340 nan 0.000 0.290 138 Q C -0.857 175.124 176.000 -0.032 0.000 1.049 138 Q CA 0.742 56.526 55.803 -0.030 0.000 0.923 138 Q CB 0.425 29.136 28.738 -0.044 0.000 1.183 138 Q HN -0.665 7.831 8.270 -0.003 -0.228 0.383 139 S N 3.679 119.353 115.700 -0.043 0.000 2.576 139 S HA 0.204 nan 4.470 nan 0.000 0.272 139 S C -0.908 173.675 174.600 -0.028 0.000 1.352 139 S CA 0.795 58.970 58.200 -0.041 0.000 1.021 139 S CB 0.457 63.631 63.200 -0.044 0.000 0.887 139 S HN 0.219 8.502 8.310 -0.045 0.000 0.542 140 I N 0.581 121.144 120.570 -0.011 0.000 2.545 140 I HA 0.280 nan 4.170 nan 0.000 0.292 140 I C -2.160 173.961 176.117 0.006 0.000 1.040 140 I CA -0.604 60.697 61.300 0.001 0.000 1.068 140 I CB 3.297 41.315 38.000 0.028 0.000 1.251 140 I HN 0.565 8.770 8.210 -0.009 0.000 0.424 141 V N 6.419 126.335 119.914 0.004 0.000 2.577 141 V HA 0.600 nan 4.120 nan 0.000 0.303 141 V C -1.830 174.275 176.094 0.017 0.000 1.042 141 V CA -1.682 60.622 62.300 0.006 0.000 0.872 141 V CB 2.088 33.903 31.823 -0.013 0.000 0.998 141 V HN 0.150 8.340 8.190 0.000 0.000 0.423 142 V N 7.842 127.775 119.914 0.031 0.000 2.604 142 V HA 0.409 nan 4.120 nan 0.000 0.305 142 V C -1.738 174.385 176.094 0.049 0.000 1.043 142 V CA -1.626 60.701 62.300 0.045 0.000 0.888 142 V CB 3.391 35.249 31.823 0.059 0.000 0.995 142 V HN 0.775 8.985 8.190 0.034 0.000 0.429 143 E N 5.708 125.943 120.200 0.058 0.000 2.105 143 E HA 0.151 nan 4.350 nan 0.000 0.285 143 E C 0.354 177.022 176.600 0.114 0.000 1.055 143 E CA -0.887 55.562 56.400 0.082 0.000 0.843 143 E CB 0.628 30.390 29.700 0.104 0.000 1.067 143 E HN 0.456 8.850 8.360 0.055 0.000 0.398 144 A N 8.198 131.098 122.820 0.134 0.000 2.019 144 A HA -0.243 nan 4.320 nan 0.000 0.219 144 A C 0.859 178.544 177.584 0.170 0.000 1.164 144 A CA 2.603 54.734 52.037 0.157 0.000 0.644 144 A CB -0.497 18.625 19.000 0.202 0.000 0.805 144 A HN 0.847 8.958 8.150 0.112 0.106 0.449 145 E N -1.900 118.435 120.200 0.224 0.000 2.164 145 E HA -0.312 nan 4.350 nan 0.000 0.206 145 E C 0.256 176.932 176.600 0.128 0.000 1.032 145 E CA 1.669 58.193 56.400 0.207 0.000 0.832 145 E CB 0.170 29.975 29.700 0.176 0.000 0.742 145 E HN 0.082 8.556 8.360 0.264 0.044 0.460 146 E N -4.340 115.910 120.200 0.083 0.000 8.880 146 E HA -0.303 nan 4.350 nan 0.000 0.183 146 E C -1.642 174.968 176.600 0.017 0.000 1.450 146 E CA 0.523 56.942 56.400 0.031 0.000 2.521 146 E CB 0.226 29.918 29.700 -0.013 0.000 1.229 146 E HN 0.010 8.390 8.360 0.093 0.036 0.443 147 T N 2.262 116.808 114.554 -0.014 0.000 3.109 147 T HA 0.203 nan 4.350 nan 0.000 0.311 147 T C -1.605 173.065 174.700 -0.051 0.000 1.011 147 T CA -0.302 61.787 62.100 -0.018 0.000 1.026 147 T CB 0.943 69.809 68.868 -0.004 0.000 1.047 147 T HN -0.012 8.211 8.240 -0.028 0.000 0.448 148 G N 3.589 112.341 108.800 -0.079 0.000 2.696 148 G HA2 0.195 nan 3.960 nan 0.000 0.295 148 G HA3 0.195 nan 3.960 nan 0.000 0.295 148 G C -1.298 173.546 174.900 -0.093 0.000 1.398 148 G CA 0.022 45.056 45.100 -0.109 0.000 0.920 148 G HN -0.107 8.143 8.290 -0.067 0.000 0.492 149 N N 1.739 120.398 118.700 -0.068 0.000 2.605 149 N HA 0.013 nan 4.740 nan 0.000 0.258 149 N C -0.030 175.443 175.510 -0.062 0.000 1.156 149 N CA -0.949 52.072 53.050 -0.048 0.000 1.008 149 N CB -0.273 38.200 38.487 -0.024 0.000 1.354 149 N HN 0.245 8.589 8.380 -0.059 0.000 0.509 150 I N 4.768 125.290 120.570 -0.079 0.000 2.593 150 I HA -0.231 nan 4.170 nan 0.000 0.304 150 I C 0.397 176.509 176.117 -0.008 0.000 1.176 150 I CA 0.967 62.213 61.300 -0.090 0.000 1.533 150 I CB -0.927 37.036 38.000 -0.062 0.000 1.492 150 I HN -0.000 8.149 8.210 -0.067 0.020 0.704 151 L N 6.615 127.838 121.223 -0.001 0.000 2.217 151 L HA -0.189 nan 4.340 nan 0.000 0.211 151 L C 0.483 177.384 176.870 0.052 0.000 1.107 151 L CA 1.291 56.146 54.840 0.026 0.000 0.783 151 L CB -0.309 41.764 42.059 0.023 0.000 0.919 151 L HN 0.006 8.225 8.230 -0.019 0.000 0.442 152 D N -1.204 119.240 120.400 0.073 0.000 2.256 152 D HA 0.219 nan 4.640 nan 0.000 0.250 152 D C -0.809 175.576 176.300 0.141 0.000 1.093 152 D CA -2.156 51.910 54.000 0.111 0.000 0.882 152 D CB 1.337 42.223 40.800 0.143 0.000 1.185 152 D HN -0.507 7.861 8.370 0.054 0.035 0.437 153 P HA -0.086 nan 4.420 nan 0.000 0.220 153 P C 0.741 178.110 177.300 0.116 0.000 1.152 153 P CA 1.402 64.565 63.100 0.106 0.000 0.812 153 P CB 0.498 32.238 31.700 0.067 0.000 0.792 154 E N -1.174 119.106 120.200 0.132 0.000 2.204 154 E HA -0.281 nan 4.350 nan 0.000 0.195 154 E C 1.902 178.588 176.600 0.145 0.000 0.990 154 E CA 2.124 58.597 56.400 0.123 0.000 0.821 154 E CB -0.539 29.248 29.700 0.145 0.000 0.750 154 E HN -0.518 8.290 8.360 0.143 -0.362 0.477 155 Y N 0.464 120.826 120.300 0.103 0.000 2.283 155 Y HA -0.411 nan 4.550 nan 0.000 0.285 155 Y C 1.805 177.754 175.900 0.082 0.000 1.176 155 Y CA 2.705 60.871 58.100 0.109 0.000 1.229 155 Y CB -0.143 38.379 38.460 0.103 0.000 0.975 155 Y HN -0.210 8.499 8.280 0.332 -0.230 0.537 156 K N -1.167 119.174 120.400 -0.099 0.000 2.015 156 K HA -0.418 nan 4.320 nan 0.000 0.216 156 K C 1.990 178.491 176.600 -0.165 0.000 1.052 156 K CA 2.941 59.163 56.287 -0.107 0.000 0.937 156 K CB -0.565 31.946 32.500 0.019 0.000 0.719 156 K HN -0.537 7.729 8.250 0.068 0.025 0.446 157 L N -3.198 117.881 121.223 -0.240 0.000 2.633 157 L HA -0.115 nan 4.340 nan 0.000 0.235 157 L C 1.056 177.621 176.870 -0.510 0.000 1.163 157 L CA 1.194 55.695 54.840 -0.565 0.000 0.859 157 L CB -0.954 40.941 42.059 -0.274 0.000 0.973 157 L HN -0.145 7.915 8.230 -0.121 0.098 0.451 158 S N 0.211 115.735 115.700 -0.294 0.000 2.603 158 S HA -0.203 nan 4.470 nan 0.000 0.229 158 S C 1.314 175.869 174.600 -0.075 0.000 0.972 158 S CA 2.502 60.619 58.200 -0.138 0.000 0.935 158 S CB -0.304 62.837 63.200 -0.098 0.000 0.769 158 S HN -0.570 7.376 8.310 -0.274 0.199 0.536 159 Y N -0.818 119.500 120.300 0.030 0.000 2.181 159 Y HA -0.280 nan 4.550 nan 0.000 0.288 159 Y C 0.273 176.300 175.900 0.211 0.000 1.146 159 Y CA 1.772 59.940 58.100 0.115 0.000 1.164 159 Y CB -0.937 37.568 38.460 0.075 0.000 0.982 159 Y HN -0.475 7.633 8.280 -0.242 0.027 0.515 160 F N 0.262 120.106 119.950 -0.177 0.000 2.222 160 F HA 0.057 nan 4.527 nan 0.000 0.285 160 F C 1.776 177.564 175.800 -0.020 0.000 1.068 160 F CA 1.123 59.121 58.000 -0.003 0.000 1.265 160 F CB 1.711 40.667 39.000 -0.073 0.000 1.087 160 F HN -0.628 7.286 8.300 -0.394 0.150 0.511 161 R N -0.991 119.476 120.500 -0.056 0.000 2.091 161 R HA -0.323 nan 4.340 nan 0.000 0.238 161 R C 0.591 176.753 176.300 -0.231 0.000 1.136 161 R CA 3.077 59.085 56.100 -0.154 0.000 0.959 161 R CB 0.047 30.350 30.300 0.004 0.000 0.856 161 R HN -0.525 7.788 8.270 0.072 0.000 0.437 162 E N -4.545 115.582 120.200 -0.121 0.000 2.444 162 E HA 0.026 nan 4.350 nan 0.000 0.191 162 E C -1.420 175.141 176.600 -0.064 0.000 1.041 162 E CA -0.712 55.639 56.400 -0.082 0.000 0.883 162 E CB -0.236 29.475 29.700 0.019 0.000 1.024 162 E HN -0.206 8.082 8.360 -0.069 0.030 0.470 163 D N 0.044 120.386 120.400 -0.097 0.000 2.339 163 D HA -0.038 nan 4.640 nan 0.000 0.245 163 D C 0.667 176.954 176.300 -0.021 0.000 1.115 163 D CA -0.232 53.743 54.000 -0.043 0.000 0.917 163 D CB 1.429 42.211 40.800 -0.029 0.000 1.192 163 D HN -0.902 7.263 8.370 -0.189 0.091 0.428 164 I N 3.710 124.264 120.570 -0.028 0.000 2.142 164 I HA -0.279 nan 4.170 nan 0.000 0.240 164 I C 1.073 177.232 176.117 0.070 0.000 1.078 164 I CA 3.674 64.986 61.300 0.020 0.000 1.343 164 I CB 0.243 38.095 38.000 -0.246 0.000 1.046 164 I HN 0.422 8.582 8.210 -0.083 0.000 0.405 165 G N -2.955 105.844 108.800 -0.003 0.000 2.403 165 G HA2 -0.218 nan 3.960 nan 0.000 0.216 165 G HA3 -0.218 nan 3.960 nan 0.000 0.216 165 G C 1.440 176.264 174.900 -0.127 0.000 1.154 165 G CA 1.688 46.770 45.100 -0.031 0.000 0.784 165 G HN -0.176 8.117 8.290 0.006 0.000 0.538 166 I N 2.914 123.309 120.570 -0.291 0.000 2.069 166 I HA -0.551 nan 4.170 nan 0.000 0.237 166 I C 1.656 177.672 176.117 -0.168 0.000 1.053 166 I CA 3.059 64.083 61.300 -0.459 0.000 1.311 166 I CB -0.805 36.850 38.000 -0.575 0.000 1.030 166 I HN -0.871 7.353 8.210 -0.281 -0.182 0.398 167 N N -1.135 117.526 118.700 -0.064 0.000 2.244 167 N HA -0.248 nan 4.740 nan 0.000 0.183 167 N C 2.317 177.936 175.510 0.181 0.000 1.016 167 N CA 3.021 56.059 53.050 -0.020 0.000 0.866 167 N CB -0.206 38.140 38.487 -0.235 0.000 0.980 167 N HN -0.069 8.284 8.380 -0.045 0.000 0.430 168 A N 0.419 123.408 122.820 0.281 0.000 1.858 168 A HA -0.279 nan 4.320 nan 0.000 0.216 168 A C 1.582 179.170 177.584 0.005 0.000 1.190 168 A CA 3.192 55.294 52.037 0.109 0.000 0.617 168 A CB -0.784 18.264 19.000 0.080 0.000 0.827 168 A HN 0.133 8.481 8.150 0.330 0.000 0.443 169 H N 0.132 119.270 119.070 0.113 0.000 2.357 169 H HA -0.459 nan 4.556 nan 0.000 0.296 169 H C 1.989 177.527 175.328 0.350 0.000 1.108 169 H CA 4.044 60.238 56.048 0.243 0.000 1.273 169 H CB -0.001 29.861 29.762 0.167 0.000 1.367 169 H HN -0.210 8.192 8.280 0.204 0.000 0.498 170 H N -1.139 118.048 119.070 0.196 0.000 2.290 170 H HA -0.361 nan 4.556 nan 0.000 0.298 170 H C 2.798 178.359 175.328 0.388 0.000 1.087 170 H CA 3.791 60.005 56.048 0.276 0.000 1.291 170 H CB 0.247 30.134 29.762 0.208 0.000 1.369 170 H HN -0.557 7.931 8.280 0.372 0.015 0.492 171 W N 0.651 122.077 121.300 0.209 0.000 2.332 171 W HA -0.429 nan 4.660 nan 0.000 0.321 171 W C 1.719 178.385 176.519 0.246 0.000 1.219 171 W CA 3.998 61.477 57.345 0.222 0.000 1.277 171 W CB -0.292 29.251 29.460 0.140 0.000 1.161 171 W HN -0.449 8.025 8.180 0.489 0.000 0.476 172 H N -2.438 116.922 119.070 0.483 0.000 2.394 172 H HA -0.434 nan 4.556 nan 0.000 0.297 172 H C 2.308 177.681 175.328 0.075 0.000 1.113 172 H CA 3.223 59.416 56.048 0.243 0.000 1.277 172 H CB -0.880 28.998 29.762 0.193 0.000 1.370 172 H HN -0.036 8.281 8.280 0.062 0.000 0.506 173 W N -0.256 121.037 121.300 -0.012 0.000 2.358 173 W HA -0.380 nan 4.660 nan 0.000 0.303 173 W C 1.868 178.427 176.519 0.066 0.000 1.208 173 W CA 4.820 62.150 57.345 -0.025 0.000 1.274 173 W CB 0.043 29.430 29.460 -0.121 0.000 1.138 173 W HN 0.633 8.936 8.180 0.205 0.000 0.515 174 H N -3.465 115.809 119.070 0.340 0.000 2.539 174 H HA -0.056 nan 4.556 nan 0.000 0.267 174 H C 1.198 176.479 175.328 -0.079 0.000 0.982 174 H CA 2.572 58.748 56.048 0.214 0.000 1.146 174 H CB 0.250 30.202 29.762 0.317 0.000 1.382 174 H HN -0.672 7.883 8.280 0.457 0.000 0.577 175 I N -1.151 119.383 120.570 -0.059 0.000 2.584 175 I HA -0.192 nan 4.170 nan 0.000 0.255 175 I C 1.424 177.446 176.117 -0.157 0.000 1.145 175 I CA 1.210 62.382 61.300 -0.213 0.000 1.462 175 I CB 0.712 38.638 38.000 -0.123 0.000 1.102 175 I HN -0.294 7.848 8.210 0.038 0.091 0.433 176 V N -5.370 114.397 119.914 -0.245 0.000 2.591 176 V HA -0.107 nan 4.120 nan 0.000 0.249 176 V C 0.461 176.083 176.094 -0.786 0.000 1.053 176 V CA 1.891 63.912 62.300 -0.464 0.000 1.068 176 V CB -0.257 31.195 31.823 -0.618 0.000 0.689 176 V HN -0.365 7.709 8.190 -0.192 0.000 0.462 177 Y N -1.557 118.521 120.300 -0.370 0.000 2.919 177 Y HA 0.554 nan 4.550 nan 0.000 0.341 177 Y C -2.588 173.280 175.900 -0.053 0.000 1.045 177 Y CA -3.603 54.287 58.100 -0.351 0.000 1.218 177 Y CB -0.673 37.436 38.460 -0.586 0.000 1.137 177 Y HN -0.008 7.877 8.280 -0.473 0.111 0.577 178 P HA 0.106 nan 4.420 nan 0.000 0.276 178 P C -0.042 177.353 177.300 0.158 0.000 1.230 178 P CA -0.282 62.896 63.100 0.131 0.000 0.776 178 P CB 0.760 32.478 31.700 0.029 0.000 0.888 179 A N 4.613 127.518 122.820 0.141 0.000 1.940 179 A HA -0.288 nan 4.320 nan 0.000 0.219 179 A C 0.691 178.311 177.584 0.059 0.000 1.176 179 A CA 3.235 55.322 52.037 0.083 0.000 0.631 179 A CB -0.458 18.572 19.000 0.049 0.000 0.814 179 A HN 0.647 8.892 8.150 0.159 0.000 0.446 180 T N -5.703 108.863 114.554 0.019 0.000 3.252 180 T HA -0.090 nan 4.350 nan 0.000 0.250 180 T C 0.643 175.270 174.700 -0.123 0.000 1.123 180 T CA -1.175 60.890 62.100 -0.057 0.000 1.006 180 T CB -1.413 67.376 68.868 -0.133 0.000 0.992 180 T HN -0.173 8.072 8.240 0.019 0.006 0.547 181 W N 4.283 125.470 121.300 -0.189 0.000 2.771 181 W HA -0.222 nan 4.660 nan 0.000 0.407 181 W C -1.737 174.691 176.519 -0.151 0.000 1.221 181 W CA -0.166 57.059 57.345 -0.201 0.000 1.539 181 W CB -0.948 28.404 29.460 -0.181 0.000 1.647 181 W HN -0.271 7.823 8.180 0.169 0.187 0.469 182 N N 7.963 126.382 118.700 -0.468 0.000 2.452 182 N HA -0.062 nan 4.740 nan 0.000 0.266 182 N C -1.105 174.017 175.510 -0.646 0.000 1.209 182 N CA -0.948 51.854 53.050 -0.412 0.000 0.929 182 N CB 0.922 39.205 38.487 -0.341 0.000 1.063 182 N HN -0.350 7.718 8.380 -0.454 0.039 0.472 183 P HA -0.117 nan 4.420 nan 0.000 0.216 183 P C 0.141 177.333 177.300 -0.181 0.000 1.153 183 P CA 1.950 64.968 63.100 -0.135 0.000 0.844 183 P CB 0.624 32.350 31.700 0.044 0.000 0.787 184 T N -4.584 109.875 114.554 -0.157 0.000 2.732 184 T HA -0.156 nan 4.350 nan 0.000 0.261 184 T C 2.858 177.465 174.700 -0.154 0.000 1.040 184 T CA 3.274 65.305 62.100 -0.115 0.000 1.145 184 T CB -0.546 68.275 68.868 -0.078 0.000 0.866 184 T HN -0.136 8.180 8.240 -0.161 -0.173 0.427 185 V N 2.070 121.861 119.914 -0.205 0.000 2.759 185 V HA -0.191 nan 4.120 nan 0.000 0.256 185 V C 1.208 177.113 176.094 -0.316 0.000 1.080 185 V CA 3.093 65.267 62.300 -0.211 0.000 1.101 185 V CB -0.645 31.064 31.823 -0.189 0.000 0.698 185 V HN 0.262 8.660 8.190 -0.209 -0.333 0.477 186 M N -2.681 116.623 119.600 -0.494 0.000 2.560 186 M HA 0.163 nan 4.480 nan 0.000 0.297 186 M C 0.445 176.591 176.300 -0.258 0.000 1.201 186 M CA -1.580 53.359 55.300 -0.602 0.000 0.973 186 M CB -0.669 31.110 32.600 -1.367 0.000 1.401 186 M HN -0.410 7.546 8.290 -0.520 0.022 0.497 187 G N 0.518 109.232 108.800 -0.144 0.000 2.458 187 G HA2 -0.410 nan 3.960 nan 0.000 0.237 187 G HA3 -0.410 nan 3.960 nan 0.000 0.237 187 G C -1.020 173.891 174.900 0.018 0.000 1.113 187 G CA 1.122 46.200 45.100 -0.037 0.000 0.655 187 G HN 0.127 8.119 8.290 -0.175 0.194 0.513 188 K N -0.519 119.931 120.400 0.083 0.000 2.522 188 K HA 0.358 nan 4.320 nan 0.000 0.275 188 K C -2.053 174.710 176.600 0.272 0.000 1.006 188 K CA -1.206 55.163 56.287 0.137 0.000 0.890 188 K CB 2.510 35.082 32.500 0.120 0.000 1.475 188 K HN -0.370 7.831 8.250 0.087 0.102 0.441 189 E N -0.183 120.125 120.200 0.181 0.000 2.285 189 E HA 0.207 nan 4.350 nan 0.000 0.254 189 E C -0.653 175.957 176.600 0.017 0.000 1.011 189 E CA -1.529 54.983 56.400 0.186 0.000 0.873 189 E CB 1.619 31.389 29.700 0.116 0.000 1.229 189 E HN 0.177 8.602 8.360 0.109 0.000 0.422 190 K N 0.214 120.598 120.400 -0.026 0.000 2.572 190 K HA 0.281 nan 4.320 nan 0.000 0.244 190 K C -1.145 175.469 176.600 0.022 0.000 0.965 190 K CA -1.428 54.798 56.287 -0.101 0.000 0.943 190 K CB 0.890 33.229 32.500 -0.268 0.000 1.154 190 K HN 0.312 8.596 8.250 0.057 0.000 0.447 191 D N 5.859 126.287 120.400 0.048 0.000 2.502 191 D HA -0.195 nan 4.640 nan 0.000 0.249 191 D C -0.251 176.070 176.300 0.035 0.000 1.188 191 D CA 1.464 55.499 54.000 0.059 0.000 0.890 191 D CB 0.159 41.001 40.800 0.071 0.000 1.140 191 D HN 0.468 8.854 8.370 0.026 0.000 0.505 192 R N -0.241 120.273 120.500 0.024 0.000 3.641 192 R HA -0.524 nan 4.340 nan 0.000 0.286 192 R C 0.521 176.794 176.300 -0.044 0.000 1.153 192 R CA 1.184 57.291 56.100 0.011 0.000 0.775 192 R CB -2.088 28.226 30.300 0.024 0.000 1.215 192 R HN 0.692 8.986 8.270 0.041 0.000 0.474 193 K N -1.040 119.301 120.400 -0.099 0.000 2.152 193 K HA -0.279 nan 4.320 nan 0.000 0.206 193 K C 1.823 178.443 176.600 0.034 0.000 1.048 193 K CA 2.791 58.945 56.287 -0.221 0.000 0.933 193 K CB -0.573 31.809 32.500 -0.197 0.000 0.721 193 K HN -0.499 7.723 8.250 -0.046 0.000 0.447 194 G N -1.109 107.754 108.800 0.105 0.000 2.434 194 G HA2 -0.261 nan 3.960 nan 0.000 0.214 194 G HA3 -0.261 nan 3.960 nan 0.000 0.214 194 G C 0.340 175.412 174.900 0.287 0.000 1.202 194 G CA 1.677 46.919 45.100 0.237 0.000 0.788 194 G HN 0.197 8.825 8.290 0.072 -0.295 0.539 195 E N 2.384 122.687 120.200 0.172 0.000 2.058 195 E HA -0.287 nan 4.350 nan 0.000 0.194 195 E C 1.975 178.644 176.600 0.115 0.000 0.997 195 E CA 2.578 59.057 56.400 0.132 0.000 0.801 195 E CB -0.169 29.583 29.700 0.086 0.000 0.746 195 E HN -0.849 7.769 8.360 0.140 -0.174 0.450 196 L N -1.002 120.288 121.223 0.111 0.000 2.131 196 L HA -0.314 nan 4.340 nan 0.000 0.210 196 L C 1.156 178.187 176.870 0.268 0.000 1.092 196 L CA 2.772 57.720 54.840 0.180 0.000 0.759 196 L CB -0.515 41.632 42.059 0.146 0.000 0.903 196 L HN 0.070 8.351 8.230 0.085 0.000 0.435 197 F N 0.699 120.732 119.950 0.139 0.000 2.234 197 F HA -0.363 nan 4.527 nan 0.000 0.299 197 F C 1.300 176.994 175.800 -0.177 0.000 1.087 197 F CA 3.234 61.202 58.000 -0.053 0.000 1.340 197 F CB -0.059 38.969 39.000 0.047 0.000 1.031 197 F HN -0.482 7.939 8.300 0.391 0.114 0.500 198 F N 1.467 121.003 119.950 -0.689 0.000 2.026 198 F HA -0.492 nan 4.527 nan 0.000 0.296 198 F C 0.619 176.132 175.800 -0.479 0.000 1.133 198 F CA 3.003 60.378 58.000 -1.042 0.000 1.188 198 F CB -0.709 37.448 39.000 -1.405 0.000 0.968 198 F HN 0.049 8.197 8.300 -0.134 0.071 0.476 199 Y N -0.046 119.721 120.300 -0.887 0.000 2.049 199 Y HA -0.558 nan 4.550 nan 0.000 0.277 199 Y C 1.724 177.226 175.900 -0.664 0.000 1.143 199 Y CA 3.552 61.075 58.100 -0.961 0.000 1.115 199 Y CB -0.083 38.056 38.460 -0.535 0.000 0.975 199 Y HN -0.120 8.012 8.280 -0.247 0.000 0.487 200 M N -2.068 117.193 119.600 -0.564 0.000 2.143 200 M HA -0.527 nan 4.480 nan 0.000 0.258 200 M C 1.835 177.627 176.300 -0.846 0.000 1.071 200 M CA 3.053 57.891 55.300 -0.771 0.000 1.088 200 M CB -0.432 31.694 32.600 -0.790 0.000 1.360 200 M HN 0.077 8.230 8.290 -0.229 0.000 0.404 201 H N -2.057 116.642 119.070 -0.620 0.000 2.403 201 H HA -0.142 nan 4.556 nan 0.000 0.298 201 H C 2.447 177.598 175.328 -0.295 0.000 1.059 201 H CA 3.964 59.800 56.048 -0.353 0.000 1.363 201 H CB -0.437 29.112 29.762 -0.354 0.000 1.410 201 H HN -0.457 7.435 8.280 -0.421 0.135 0.528 202 Q N -0.101 119.476 119.800 -0.372 0.000 2.020 202 Q HA -0.402 nan 4.340 nan 0.000 0.202 202 Q C 2.330 178.098 176.000 -0.386 0.000 0.982 202 Q CA 3.460 59.070 55.803 -0.321 0.000 0.838 202 Q CB -0.166 28.300 28.738 -0.453 0.000 0.899 202 Q HN -0.005 7.949 8.270 -0.526 0.000 0.423 203 Q N -1.144 118.217 119.800 -0.732 0.000 2.112 203 Q HA -0.343 nan 4.340 nan 0.000 0.206 203 Q C 2.700 178.291 176.000 -0.682 0.000 0.987 203 Q CA 2.786 58.087 55.803 -0.837 0.000 0.858 203 Q CB -0.432 27.407 28.738 -1.498 0.000 0.905 203 Q HN 0.222 7.899 8.270 -0.988 0.000 0.420 204 M N -0.271 118.964 119.600 -0.609 0.000 2.082 204 M HA -0.434 nan 4.480 nan 0.000 0.258 204 M C 2.074 178.524 176.300 0.251 0.000 1.071 204 M CA 4.520 59.752 55.300 -0.113 0.000 1.103 204 M CB -0.019 32.711 32.600 0.217 0.000 1.307 204 M HN 0.059 7.928 8.290 -0.703 0.000 0.409 205 C N -2.516 116.915 119.300 0.218 0.000 2.472 205 C HA -0.152 nan 4.460 nan 0.000 0.278 205 C C 2.088 177.203 174.990 0.208 0.000 1.447 205 C CA 2.434 61.657 59.018 0.341 0.000 1.773 205 C CB -2.441 25.501 27.740 0.337 0.000 1.793 205 C HN -0.177 8.107 8.230 0.090 0.000 0.544 206 A N 1.189 124.047 122.820 0.064 0.000 1.935 206 A HA -0.135 nan 4.320 nan 0.000 0.214 206 A C 1.487 179.077 177.584 0.010 0.000 1.178 206 A CA 3.038 55.092 52.037 0.029 0.000 0.640 206 A CB -0.627 18.367 19.000 -0.010 0.000 0.825 206 A HN 0.682 8.691 8.150 -0.021 0.128 0.447 207 R N -0.462 120.035 120.500 -0.004 0.000 2.083 207 R HA -0.408 nan 4.340 nan 0.000 0.237 207 R C 2.022 178.199 176.300 -0.204 0.000 1.137 207 R CA 3.574 59.659 56.100 -0.026 0.000 0.951 207 R CB -0.129 30.241 30.300 0.116 0.000 0.851 207 R HN -0.172 8.069 8.270 -0.049 0.000 0.434 208 Y N 0.480 120.601 120.300 -0.299 0.000 2.053 208 Y HA -0.480 nan 4.550 nan 0.000 0.277 208 Y C 1.343 177.072 175.900 -0.286 0.000 1.159 208 Y CA 3.476 61.314 58.100 -0.437 0.000 1.125 208 Y CB -0.150 38.135 38.460 -0.292 0.000 0.969 208 Y HN 0.155 8.568 8.280 0.222 0.000 0.492 209 D N -2.677 117.661 120.400 -0.104 0.000 2.228 209 D HA -0.398 nan 4.640 nan 0.000 0.203 209 D C 2.854 179.050 176.300 -0.173 0.000 0.988 209 D CA 3.311 57.215 54.000 -0.159 0.000 0.864 209 D CB -0.881 39.908 40.800 -0.018 0.000 0.928 209 D HN -0.002 8.303 8.370 0.104 0.127 0.469 210 S N -0.092 115.536 115.700 -0.119 0.000 2.345 210 S HA -0.265 nan 4.470 nan 0.000 0.220 210 S C 1.929 176.480 174.600 -0.082 0.000 1.031 210 S CA 3.592 61.774 58.200 -0.029 0.000 0.996 210 S CB 0.008 63.262 63.200 0.089 0.000 0.882 210 S HN -0.159 8.074 8.310 -0.099 0.017 0.445 211 E N 0.804 120.873 120.200 -0.218 0.000 2.187 211 E HA -0.404 nan 4.350 nan 0.000 0.199 211 E C 2.764 179.202 176.600 -0.270 0.000 1.004 211 E CA 3.157 59.423 56.400 -0.224 0.000 0.813 211 E CB -0.546 28.898 29.700 -0.427 0.000 0.736 211 E HN -0.170 7.955 8.360 -0.293 0.059 0.468 212 R N -1.626 118.606 120.500 -0.446 0.000 2.070 212 R HA -0.277 nan 4.340 nan 0.000 0.233 212 R C 2.582 178.772 176.300 -0.184 0.000 1.137 212 R CA 3.180 59.064 56.100 -0.359 0.000 0.945 212 R CB -0.103 29.938 30.300 -0.431 0.000 0.845 212 R HN 0.242 8.161 8.270 -0.576 0.006 0.430 213 L N -1.392 119.740 121.223 -0.152 0.000 2.201 213 L HA -0.247 nan 4.340 nan 0.000 0.212 213 L C 2.857 179.685 176.870 -0.070 0.000 1.105 213 L CA 2.888 57.660 54.840 -0.114 0.000 0.775 213 L CB -0.652 41.324 42.059 -0.138 0.000 0.913 213 L HN -0.492 7.632 8.230 -0.176 0.000 0.440 214 S N 1.667 117.369 115.700 0.003 0.000 2.368 214 S HA -0.335 nan 4.470 nan 0.000 0.225 214 S C 1.944 176.558 174.600 0.024 0.000 1.030 214 S CA 3.894 62.150 58.200 0.093 0.000 0.999 214 S CB -0.906 62.388 63.200 0.158 0.000 0.844 214 S HN 0.552 8.828 8.310 -0.011 0.027 0.459 215 N N -1.373 117.324 118.700 -0.005 0.000 2.520 215 N HA -0.217 nan 4.740 nan 0.000 0.185 215 N C 0.035 175.524 175.510 -0.035 0.000 1.068 215 N CA 1.087 54.127 53.050 -0.016 0.000 0.911 215 N CB 0.329 38.807 38.487 -0.016 0.000 0.961 215 N HN -0.798 7.564 8.380 -0.016 0.009 0.446 216 G N -1.868 106.899 108.800 -0.056 0.000 2.212 216 G HA2 -0.307 nan 3.960 nan 0.000 0.255 216 G HA3 -0.307 nan 3.960 nan 0.000 0.255 216 G C -0.867 173.995 174.900 -0.063 0.000 1.062 216 G CA 0.276 45.335 45.100 -0.069 0.000 0.815 216 G HN -0.418 7.622 8.290 -0.059 0.215 0.497 217 L N -2.271 118.907 121.223 -0.074 0.000 2.299 217 L HA 0.410 nan 4.340 nan 0.000 0.268 217 L C -0.773 176.046 176.870 -0.085 0.000 1.012 217 L CA -2.117 52.679 54.840 -0.073 0.000 0.816 217 L CB 2.828 44.838 42.059 -0.081 0.000 1.355 217 L HN -0.028 8.151 8.230 -0.084 0.000 0.457 218 Q N -3.332 116.426 119.800 -0.070 0.000 2.260 218 Q HA 0.172 nan 4.340 nan 0.000 0.238 218 Q C -0.405 175.545 176.000 -0.083 0.000 0.948 218 Q CA -1.013 54.750 55.803 -0.066 0.000 0.895 218 Q CB 0.972 29.687 28.738 -0.039 0.000 1.218 218 Q HN 0.042 8.279 8.270 -0.056 0.000 0.470 219 R N -0.310 120.147 120.500 -0.073 0.000 2.740 219 R HA -0.260 nan 4.340 nan 0.000 0.263 219 R C -0.139 176.160 176.300 -0.001 0.000 0.997 219 R CA 1.261 57.328 56.100 -0.055 0.000 1.108 219 R CB 0.393 30.680 30.300 -0.023 0.000 0.969 219 R HN -0.174 8.278 8.270 -0.067 -0.222 0.431 220 M N 1.904 121.540 119.600 0.059 0.000 2.188 220 M HA -0.128 nan 4.480 nan 0.000 0.354 220 M C -0.372 176.015 176.300 0.145 0.000 1.342 220 M CA -1.017 54.375 55.300 0.153 0.000 1.117 220 M CB 0.784 33.591 32.600 0.346 0.000 1.670 220 M HN -0.008 8.682 8.290 0.067 -0.360 0.466 221 I N 7.111 127.756 120.570 0.125 0.000 2.598 221 I HA 0.060 nan 4.170 nan 0.000 0.284 221 I C -1.823 174.379 176.117 0.142 0.000 1.140 221 I CA -2.714 58.651 61.300 0.109 0.000 1.420 221 I CB 0.962 39.010 38.000 0.080 0.000 1.387 221 I HN 0.102 8.382 8.210 0.117 0.000 0.553 222 P HA 0.003 nan 4.420 nan 0.000 0.271 222 P C -1.151 176.219 177.300 0.116 0.000 1.218 222 P CA -0.868 62.326 63.100 0.157 0.000 0.780 222 P CB 0.725 32.527 31.700 0.170 0.000 0.901 223 F N 4.368 124.238 119.950 -0.134 0.000 2.661 223 F HA -0.034 nan 4.527 nan 0.000 0.356 223 F C -0.514 174.771 175.800 -0.859 0.000 1.244 223 F CA -1.200 56.571 58.000 -0.382 0.000 1.290 223 F CB -0.653 38.150 39.000 -0.328 0.000 1.677 223 F HN 0.161 8.497 8.300 0.179 0.072 0.649 224 H N 5.056 123.764 119.070 -0.603 0.000 2.436 224 H HA -0.142 nan 4.556 nan 0.000 0.294 224 H C -0.625 174.283 175.328 -0.701 0.000 1.048 224 H CA 1.454 57.187 56.048 -0.525 0.000 1.353 224 H CB 0.740 30.401 29.762 -0.170 0.000 1.414 224 H HN -0.058 8.041 8.280 -0.215 0.053 0.536 225 N N -2.417 115.826 118.700 -0.762 0.000 2.384 225 N HA -0.002 nan 4.740 nan 0.000 0.301 225 N C -0.442 174.409 175.510 -1.098 0.000 1.133 225 N CA -1.411 51.280 53.050 -0.598 0.000 0.853 225 N CB 1.639 39.968 38.487 -0.262 0.000 1.241 225 N HN -0.520 7.379 8.380 -0.802 0.000 0.502 226 F N -0.590 119.014 119.950 -0.577 0.000 2.530 226 F HA -0.036 nan 4.527 nan 0.000 0.292 226 F C 0.953 176.649 175.800 -0.174 0.000 1.109 226 F CA 1.845 59.608 58.000 -0.395 0.000 1.450 226 F CB 0.733 39.676 39.000 -0.094 0.000 1.114 226 F HN 0.423 8.758 8.300 0.057 0.000 0.560 227 D N -0.908 119.489 120.400 -0.004 0.000 2.104 227 D HA -0.256 nan 4.640 nan 0.000 0.194 227 D C 0.790 177.091 176.300 0.002 0.000 0.994 227 D CA 2.684 56.687 54.000 0.005 0.000 0.830 227 D CB -0.294 40.495 40.800 -0.020 0.000 0.959 227 D HN -0.708 7.892 8.370 -0.021 -0.243 0.452 228 E N -0.340 119.812 120.200 -0.080 0.000 2.493 228 E HA 0.077 nan 4.350 nan 0.000 0.255 228 E C -1.339 175.323 176.600 0.103 0.000 0.999 228 E CA -1.125 55.255 56.400 -0.033 0.000 0.934 228 E CB -0.687 28.949 29.700 -0.108 0.000 0.940 228 E HN 0.013 8.264 8.360 -0.181 0.000 0.473 229 P HA -0.141 nan 4.420 nan 0.000 0.267 229 P C -1.559 175.852 177.300 0.185 0.000 1.195 229 P CA 0.670 63.846 63.100 0.126 0.000 0.773 229 P CB 0.360 32.077 31.700 0.029 0.000 0.837 230 L N 1.596 122.931 121.223 0.186 0.000 2.325 230 L HA 0.205 nan 4.340 nan 0.000 0.279 230 L C -0.088 176.864 176.870 0.137 0.000 1.054 230 L CA -0.677 54.256 54.840 0.155 0.000 0.804 230 L CB 1.054 43.179 42.059 0.111 0.000 1.200 230 L HN 0.356 8.601 8.230 0.196 0.103 0.436 231 E N 2.077 122.351 120.200 0.124 0.000 2.422 231 E HA -0.149 nan 4.350 nan 0.000 0.260 231 E C 0.340 177.032 176.600 0.153 0.000 1.108 231 E CA 0.626 57.102 56.400 0.127 0.000 0.943 231 E CB 0.777 30.550 29.700 0.122 0.000 0.961 231 E HN 0.288 8.719 8.360 0.118 0.000 0.443 232 G N -0.568 108.330 108.800 0.163 0.000 2.377 232 G HA2 0.374 nan 3.960 nan 0.000 0.299 232 G HA3 0.374 nan 3.960 nan 0.000 0.299 232 G C -1.762 173.295 174.900 0.260 0.000 1.150 232 G CA -0.433 44.776 45.100 0.183 0.000 0.847 232 G HN 0.015 8.394 8.290 0.147 0.000 0.501 233 Y N 3.892 124.226 120.300 0.058 0.000 2.474 233 Y HA 0.067 nan 4.550 nan 0.000 0.326 233 Y C -2.925 172.975 175.900 0.001 0.000 1.160 233 Y CA 0.473 58.599 58.100 0.044 0.000 1.056 233 Y CB 4.243 42.733 38.460 0.049 0.000 1.330 233 Y HN 0.808 9.096 8.280 0.190 0.106 0.447 234 A N 5.789 128.175 122.820 -0.723 0.000 2.293 234 A HA 0.466 nan 4.320 nan 0.000 0.312 234 A C -1.835 175.117 177.584 -1.052 0.000 1.309 234 A CA -4.439 47.149 52.037 -0.749 0.000 0.839 234 A CB 0.556 19.166 19.000 -0.651 0.000 1.155 234 A HN 0.288 7.952 8.150 -0.810 0.000 0.501 235 P HA -0.182 nan 4.420 nan 0.000 0.220 235 P C -0.721 176.558 177.300 -0.034 0.000 1.148 235 P CA 1.135 64.057 63.100 -0.297 0.000 0.803 235 P CB 0.173 31.810 31.700 -0.106 0.000 0.782 236 H N -6.866 112.126 119.070 -0.130 0.000 2.880 236 H HA -0.286 nan 4.556 nan 0.000 0.304 236 H C -1.703 173.632 175.328 0.011 0.000 1.259 236 H CA 0.347 56.368 56.048 -0.045 0.000 1.153 236 H CB -1.890 27.853 29.762 -0.032 0.000 1.395 236 H HN 0.385 8.379 8.280 -0.399 0.046 0.420 237 L N -0.551 120.731 121.223 0.098 0.000 2.377 237 L HA 0.360 nan 4.340 nan 0.000 0.270 237 L C -1.223 175.778 176.870 0.218 0.000 0.991 237 L CA -0.900 54.022 54.840 0.137 0.000 0.851 237 L CB 1.756 43.839 42.059 0.040 0.000 1.218 237 L HN -0.285 7.978 8.230 0.055 0.000 0.420 238 T N -0.558 114.101 114.554 0.174 0.000 2.875 238 T HA 0.459 nan 4.350 nan 0.000 0.284 238 T C -0.110 174.690 174.700 0.167 0.000 0.995 238 T CA -2.477 59.712 62.100 0.149 0.000 1.060 238 T CB 1.167 70.092 68.868 0.095 0.000 0.967 238 T HN 0.104 8.436 8.240 0.152 0.000 0.476 239 S N 3.322 119.093 115.700 0.118 0.000 2.499 239 S HA 0.256 nan 4.470 nan 0.000 0.275 239 S C 1.649 176.320 174.600 0.117 0.000 1.257 239 S CA -1.283 56.991 58.200 0.122 0.000 1.050 239 S CB 0.768 63.961 63.200 -0.013 0.000 0.937 239 S HN 0.095 8.436 8.310 0.053 0.000 0.490 240 L N 1.658 122.984 121.223 0.171 0.000 2.450 240 L HA -0.071 nan 4.340 nan 0.000 0.224 240 L C 0.616 177.568 176.870 0.137 0.000 1.149 240 L CA 2.106 57.038 54.840 0.154 0.000 0.816 240 L CB -0.747 41.423 42.059 0.185 0.000 0.932 240 L HN -0.025 8.567 8.230 0.224 -0.228 0.449 241 V N -7.510 112.488 119.914 0.141 0.000 3.141 241 V HA -0.101 nan 4.120 nan 0.000 0.265 241 V C 0.429 176.556 176.094 0.055 0.000 1.126 241 V CA 0.308 62.675 62.300 0.111 0.000 1.141 241 V CB -0.959 30.924 31.823 0.101 0.000 0.743 241 V HN 0.242 8.457 8.190 0.145 0.063 0.492 242 S N -0.080 115.644 115.700 0.040 0.000 3.407 242 S HA 0.274 nan 4.470 nan 0.000 0.315 242 S C -0.314 174.297 174.600 0.018 0.000 1.211 242 S CA -0.268 57.944 58.200 0.018 0.000 1.148 242 S CB 1.121 64.322 63.200 0.003 0.000 1.511 242 S HN -0.724 7.552 8.310 0.051 0.064 0.604 243 G N 0.589 109.394 108.800 0.007 0.000 2.709 243 G HA2 0.172 nan 3.960 nan 0.000 0.208 243 G HA3 0.172 nan 3.960 nan 0.000 0.208 243 G C -0.949 173.954 174.900 0.004 0.000 1.129 243 G CA 0.047 45.152 45.100 0.009 0.000 0.793 243 G HN 0.262 8.552 8.290 0.001 0.000 0.524 244 L N 0.752 121.968 121.223 -0.012 0.000 2.425 244 L HA 0.063 nan 4.340 nan 0.000 0.225 244 L C -0.638 176.211 176.870 -0.035 0.000 1.222 244 L CA 0.572 55.396 54.840 -0.028 0.000 0.832 244 L CB 0.839 42.871 42.059 -0.045 0.000 1.238 244 L HN -0.683 7.539 8.230 -0.014 0.000 0.533 245 Q N -5.394 114.376 119.800 -0.051 0.000 2.534 245 Q HA 0.294 nan 4.340 nan 0.000 0.290 245 Q C -1.232 174.727 176.000 -0.068 0.000 0.991 245 Q CA -1.491 54.294 55.803 -0.029 0.000 0.783 245 Q CB 2.762 31.533 28.738 0.054 0.000 1.470 245 Q HN -0.205 8.032 8.270 -0.055 0.000 0.406 246 Y N 0.449 120.751 120.300 0.003 0.000 2.828 246 Y HA -0.306 nan 4.550 nan 0.000 0.359 246 Y C -0.126 175.765 175.900 -0.015 0.000 1.258 246 Y CA 1.373 59.475 58.100 0.002 0.000 1.652 246 Y CB -1.105 37.356 38.460 0.002 0.000 1.232 246 Y HN -0.281 8.161 8.280 0.271 0.000 0.513 247 A N 6.742 129.614 122.820 0.087 0.000 2.567 247 A HA -0.163 nan 4.320 nan 0.000 0.240 247 A C -1.244 176.373 177.584 0.054 0.000 1.053 247 A CA 0.793 52.856 52.037 0.043 0.000 0.755 247 A CB 0.501 19.518 19.000 0.028 0.000 0.978 247 A HN 0.200 8.379 8.150 0.048 0.000 0.507 248 S N 1.251 116.955 115.700 0.006 0.000 2.509 248 S HA 0.150 nan 4.470 nan 0.000 0.297 248 S C -0.479 174.130 174.600 0.015 0.000 1.118 248 S CA -1.023 57.174 58.200 -0.005 0.000 1.074 248 S CB 2.003 65.141 63.200 -0.103 0.000 1.038 248 S HN -0.145 8.154 8.310 -0.018 0.000 0.498 249 R N 3.522 124.062 120.500 0.065 0.000 2.298 249 R HA 0.371 nan 4.340 nan 0.000 0.310 249 R C -1.354 175.015 176.300 0.115 0.000 1.068 249 R CA -2.745 53.411 56.100 0.094 0.000 0.957 249 R CB 1.121 31.500 30.300 0.132 0.000 1.003 249 R HN 0.061 8.385 8.270 0.091 0.000 0.454 250 P HA -0.023 nan 4.420 nan 0.000 0.274 250 P C -1.220 176.252 177.300 0.287 0.000 1.231 250 P CA -0.352 62.869 63.100 0.203 0.000 0.790 250 P CB 0.523 32.364 31.700 0.235 0.000 0.951 251 E N 0.404 120.723 120.200 0.198 0.000 2.409 251 E HA -0.244 nan 4.350 nan 0.000 0.257 251 E C 0.487 177.102 176.600 0.026 0.000 1.150 251 E CA -0.326 56.154 56.400 0.134 0.000 0.942 251 E CB -0.123 29.629 29.700 0.088 0.000 0.979 251 E HN -0.103 8.353 8.360 0.161 0.000 0.447 252 G N 0.013 108.773 108.800 -0.066 0.000 2.171 252 G HA2 -0.435 nan 3.960 nan 0.000 0.238 252 G HA3 -0.435 nan 3.960 nan 0.000 0.238 252 G C -1.643 172.880 174.900 -0.630 0.000 1.039 252 G CA 0.176 45.109 45.100 -0.278 0.000 0.759 252 G HN 0.046 8.349 8.290 0.021 0.000 0.501 253 Y N -1.094 119.271 120.300 0.109 0.000 2.376 253 Y HA 0.133 nan 4.550 nan 0.000 0.340 253 Y C -1.220 174.778 175.900 0.163 0.000 0.965 253 Y CA -1.934 56.248 58.100 0.137 0.000 1.078 253 Y CB 2.419 40.961 38.460 0.136 0.000 1.193 253 Y HN -0.903 7.410 8.280 0.056 0.000 0.452 254 S N 1.751 117.628 115.700 0.294 0.000 2.603 254 S HA 0.256 nan 4.470 nan 0.000 0.268 254 S C -1.063 173.717 174.600 0.301 0.000 1.317 254 S CA -0.886 57.450 58.200 0.226 0.000 1.012 254 S CB 0.966 64.220 63.200 0.090 0.000 0.926 254 S HN 0.502 8.994 8.310 0.304 0.000 0.539 255 I N 2.901 123.619 120.570 0.248 0.000 2.638 255 I HA -0.013 nan 4.170 nan 0.000 0.286 255 I C -1.618 174.595 176.117 0.161 0.000 1.088 255 I CA -0.447 61.019 61.300 0.276 0.000 1.397 255 I CB 1.004 39.232 38.000 0.380 0.000 1.414 255 I HN 0.075 8.420 8.210 0.225 0.000 0.566 256 H N 6.360 125.505 119.070 0.125 0.000 2.717 256 H HA 0.240 nan 4.556 nan 0.000 0.366 256 H C -1.421 173.943 175.328 0.060 0.000 1.132 256 H CA -1.124 54.976 56.048 0.086 0.000 1.180 256 H CB 3.253 33.063 29.762 0.081 0.000 1.678 256 H HN 0.356 8.816 8.280 0.299 0.000 0.537 257 D N 1.849 122.330 120.400 0.136 0.000 2.364 257 D HA 0.092 nan 4.640 nan 0.000 0.236 257 D C -0.864 175.482 176.300 0.076 0.000 1.221 257 D CA 1.134 55.167 54.000 0.056 0.000 0.891 257 D CB 0.543 41.347 40.800 0.006 0.000 1.190 257 D HN 0.100 8.535 8.370 0.108 0.000 0.449 258 L N -1.330 119.914 121.223 0.035 0.000 2.323 258 L HA 0.323 nan 4.340 nan 0.000 0.265 258 L C 0.407 177.303 176.870 0.044 0.000 1.012 258 L CA -1.236 53.644 54.840 0.067 0.000 0.820 258 L CB 2.383 44.500 42.059 0.096 0.000 1.334 258 L HN 0.259 8.479 8.230 -0.016 0.000 0.427 259 S N 1.018 116.769 115.700 0.085 0.000 2.465 259 S HA -0.333 nan 4.470 nan 0.000 0.241 259 S C 0.077 174.713 174.600 0.060 0.000 1.000 259 S CA 2.735 60.983 58.200 0.079 0.000 0.964 259 S CB -0.037 63.237 63.200 0.123 0.000 0.763 259 S HN 0.830 9.207 8.310 0.112 0.000 0.512 260 D N 0.812 121.238 120.400 0.044 0.000 2.429 260 D HA 0.005 nan 4.640 nan 0.000 0.242 260 D C -0.508 175.674 176.300 -0.197 0.000 1.076 260 D CA 0.723 54.690 54.000 -0.055 0.000 0.955 260 D CB 0.708 41.493 40.800 -0.025 0.000 1.076 260 D HN -0.018 8.373 8.370 0.091 0.034 0.448 261 V N 0.845 120.576 119.914 -0.305 0.000 2.628 261 V HA 0.149 nan 4.120 nan 0.000 0.306 261 V C -1.253 174.678 176.094 -0.271 0.000 1.045 261 V CA -1.530 60.525 62.300 -0.408 0.000 0.905 261 V CB 2.826 34.204 31.823 -0.741 0.000 0.997 261 V HN -0.449 7.608 8.190 -0.222 0.000 0.436 262 D N 2.944 123.169 120.400 -0.292 0.000 2.339 262 D HA 0.034 nan 4.640 nan 0.000 0.245 262 D C 1.066 177.196 176.300 -0.284 0.000 1.115 262 D CA 0.076 53.934 54.000 -0.237 0.000 0.917 262 D CB 1.181 41.849 40.800 -0.219 0.000 1.192 262 D HN -0.073 8.100 8.370 -0.327 0.000 0.428 263 V N 0.661 120.456 119.914 -0.198 0.000 2.546 263 V HA -0.432 nan 4.120 nan 0.000 0.254 263 V C 1.914 177.756 176.094 -0.420 0.000 1.076 263 V CA 4.133 66.303 62.300 -0.217 0.000 1.087 263 V CB -0.593 31.165 31.823 -0.108 0.000 0.674 263 V HN 0.080 8.482 8.190 -0.141 -0.297 0.470 264 Q N -1.634 117.940 119.800 -0.378 0.000 2.269 264 Q HA -0.246 nan 4.340 nan 0.000 0.201 264 Q C 1.552 177.246 176.000 -0.509 0.000 0.946 264 Q CA 3.227 58.780 55.803 -0.417 0.000 0.877 264 Q CB -0.359 28.201 28.738 -0.296 0.000 0.963 264 Q HN -0.020 8.099 8.270 -0.299 -0.029 0.472 265 D N 0.595 120.628 120.400 -0.612 0.000 2.219 265 D HA -0.221 nan 4.640 nan 0.000 0.205 265 D C 2.247 177.660 176.300 -1.479 0.000 0.970 265 D CA 3.082 56.519 54.000 -0.939 0.000 0.851 265 D CB -0.070 40.179 40.800 -0.919 0.000 0.943 265 D HN -0.810 7.283 8.370 -0.521 -0.036 0.488 266 M N -0.614 118.379 119.600 -1.011 0.000 2.067 266 M HA -0.314 nan 4.480 nan 0.000 0.260 266 M C 2.413 178.544 176.300 -0.280 0.000 1.069 266 M CA 3.100 58.129 55.300 -0.452 0.000 1.117 266 M CB -0.922 31.602 32.600 -0.128 0.000 1.334 266 M HN -0.492 7.310 8.290 -0.803 0.006 0.407 267 V N -0.505 119.093 119.914 -0.528 0.000 2.324 267 V HA -0.520 nan 4.120 nan 0.000 0.250 267 V C 2.185 178.135 176.094 -0.239 0.000 1.060 267 V CA 4.429 66.479 62.300 -0.415 0.000 1.042 267 V CB -1.309 30.223 31.823 -0.485 0.000 0.650 267 V HN -0.190 7.545 8.190 -0.659 0.060 0.450 268 R N -1.261 119.024 120.500 -0.358 0.000 2.070 268 R HA -0.364 nan 4.340 nan 0.000 0.233 268 R C 2.205 178.394 176.300 -0.185 0.000 1.137 268 R CA 3.698 59.612 56.100 -0.309 0.000 0.945 268 R CB -0.213 29.834 30.300 -0.422 0.000 0.845 268 R HN 0.267 8.051 8.270 -0.488 0.193 0.430 269 W N -2.136 119.066 121.300 -0.163 0.000 2.321 269 W HA -0.290 nan 4.660 nan 0.000 0.306 269 W C 2.337 178.822 176.519 -0.058 0.000 1.217 269 W CA 2.109 59.370 57.345 -0.141 0.000 1.257 269 W CB -1.005 28.436 29.460 -0.032 0.000 1.145 269 W HN -0.069 7.788 8.180 -0.538 0.000 0.509 270 R N -1.151 119.479 120.500 0.218 0.000 2.070 270 R HA -0.459 nan 4.340 nan 0.000 0.233 270 R C 2.089 178.427 176.300 0.064 0.000 1.137 270 R CA 3.815 60.006 56.100 0.151 0.000 0.945 270 R CB -0.182 30.250 30.300 0.220 0.000 0.845 270 R HN -0.476 7.911 8.270 0.204 0.006 0.430 271 E N -1.745 118.471 120.200 0.028 0.000 2.110 271 E HA -0.301 nan 4.350 nan 0.000 0.193 271 E C 2.832 179.436 176.600 0.006 0.000 0.988 271 E CA 2.418 58.820 56.400 0.003 0.000 0.804 271 E CB -0.988 28.701 29.700 -0.017 0.000 0.745 271 E HN -0.537 7.832 8.360 0.015 0.000 0.458 272 R N -1.039 119.451 120.500 -0.017 0.000 2.127 272 R HA -0.276 nan 4.340 nan 0.000 0.238 272 R C 3.052 179.448 176.300 0.160 0.000 1.134 272 R CA 3.010 59.094 56.100 -0.026 0.000 0.975 272 R CB -0.201 29.853 30.300 -0.409 0.000 0.865 272 R HN -0.047 8.199 8.270 -0.040 0.000 0.447 273 I N -0.075 120.596 120.570 0.168 0.000 2.235 273 I HA -0.389 nan 4.170 nan 0.000 0.241 273 I C 1.456 177.568 176.117 -0.008 0.000 1.085 273 I CA 3.677 65.076 61.300 0.164 0.000 1.378 273 I CB 0.091 38.132 38.000 0.068 0.000 1.076 273 I HN -0.066 8.085 8.210 0.113 0.126 0.415 274 L N -1.034 120.166 121.223 -0.038 0.000 2.083 274 L HA -0.486 nan 4.340 nan 0.000 0.209 274 L C 2.124 178.936 176.870 -0.096 0.000 1.083 274 L CA 3.303 58.089 54.840 -0.089 0.000 0.752 274 L CB -0.857 41.167 42.059 -0.058 0.000 0.899 274 L HN 0.235 8.390 8.230 -0.004 0.073 0.433 275 D N -0.841 119.527 120.400 -0.054 0.000 2.117 275 D HA -0.302 nan 4.640 nan 0.000 0.197 275 D C 1.550 177.770 176.300 -0.134 0.000 0.987 275 D CA 3.712 57.673 54.000 -0.065 0.000 0.829 275 D CB -0.144 40.645 40.800 -0.018 0.000 0.961 275 D HN 0.064 8.421 8.370 -0.021 0.000 0.460 276 A N -1.070 121.676 122.820 -0.123 0.000 2.015 276 A HA -0.171 nan 4.320 nan 0.000 0.219 276 A C 2.258 179.635 177.584 -0.344 0.000 1.163 276 A CA 2.689 54.579 52.037 -0.246 0.000 0.646 276 A CB -0.761 18.202 19.000 -0.062 0.000 0.806 276 A HN -0.723 7.312 8.150 -0.030 0.097 0.448 277 I N -1.972 118.397 120.570 -0.335 0.000 2.142 277 I HA -0.518 nan 4.170 nan 0.000 0.240 277 I C 1.430 177.183 176.117 -0.607 0.000 1.078 277 I CA 3.961 64.986 61.300 -0.460 0.000 1.343 277 I CB -0.322 37.466 38.000 -0.354 0.000 1.046 277 I HN -0.045 8.013 8.210 -0.253 0.000 0.405 278 N N -1.598 116.893 118.700 -0.349 0.000 2.104 278 N HA -0.218 nan 4.740 nan 0.000 0.190 278 N C 2.186 177.649 175.510 -0.080 0.000 1.024 278 N CA 2.595 55.526 53.050 -0.199 0.000 0.853 278 N CB 0.189 38.627 38.487 -0.082 0.000 1.008 278 N HN -0.561 7.668 8.380 -0.251 0.000 0.424 279 M N -2.067 117.436 119.600 -0.162 0.000 2.476 279 M HA -0.212 nan 4.480 nan 0.000 0.262 279 M C -0.475 175.829 176.300 0.006 0.000 1.079 279 M CA 2.458 57.687 55.300 -0.117 0.000 1.104 279 M CB 0.227 32.545 32.600 -0.471 0.000 1.409 279 M HN 0.377 8.417 8.290 -0.235 0.108 0.467 280 H N -6.932 112.069 119.070 -0.116 0.000 2.936 280 H HA -0.387 nan 4.556 nan 0.000 0.276 280 H C -1.543 173.850 175.328 0.107 0.000 1.216 280 H CA 1.352 57.417 56.048 0.030 0.000 1.132 280 H CB -3.088 26.757 29.762 0.139 0.000 1.303 280 H HN -0.230 7.539 8.280 -0.435 0.250 0.370 281 Y N -6.615 113.720 120.300 0.058 0.000 2.670 281 Y HA 0.847 nan 4.550 nan 0.000 0.334 281 Y C -2.534 173.378 175.900 0.020 0.000 1.185 281 Y CA -2.283 55.846 58.100 0.049 0.000 1.053 281 Y CB 3.165 41.664 38.460 0.066 0.000 1.298 281 Y HN -0.478 7.554 8.280 -0.414 0.000 0.459 282 I N -4.174 116.586 120.570 0.317 0.000 2.647 282 I HA 0.542 nan 4.170 nan 0.000 0.295 282 I C -1.502 174.778 176.117 0.271 0.000 1.078 282 I CA -1.723 59.724 61.300 0.245 0.000 1.048 282 I CB 3.833 41.841 38.000 0.014 0.000 1.239 282 I HN 0.152 8.553 8.210 0.319 0.000 0.421 283 V N -1.783 118.294 119.914 0.272 0.000 2.348 283 V HA 0.428 nan 4.120 nan 0.000 0.270 283 V C -0.126 176.053 176.094 0.142 0.000 1.037 283 V CA -2.491 59.883 62.300 0.123 0.000 0.872 283 V CB -0.841 30.961 31.823 -0.036 0.000 1.002 283 V HN -0.212 8.206 8.190 0.379 0.000 0.464 284 D N 7.826 128.283 120.400 0.095 0.000 2.398 284 D HA 0.169 nan 4.640 nan 0.000 0.247 284 D C 1.353 177.690 176.300 0.062 0.000 1.227 284 D CA -0.893 53.162 54.000 0.091 0.000 0.980 284 D CB 0.936 41.770 40.800 0.057 0.000 1.106 284 D HN -0.452 7.961 8.370 0.073 0.000 0.493 285 K N -0.259 120.180 120.400 0.064 0.000 2.589 285 K HA -0.288 nan 4.320 nan 0.000 0.195 285 K C 0.086 176.701 176.600 0.025 0.000 1.040 285 K CA 2.348 58.663 56.287 0.046 0.000 0.950 285 K CB -0.717 31.814 32.500 0.051 0.000 0.781 285 K HN 0.520 8.815 8.250 0.076 0.000 0.486 286 D N -5.487 114.923 120.400 0.017 0.000 2.379 286 D HA -0.008 nan 4.640 nan 0.000 0.208 286 D C -0.164 176.132 176.300 -0.006 0.000 1.065 286 D CA -0.674 53.330 54.000 0.005 0.000 0.848 286 D CB -0.339 40.464 40.800 0.004 0.000 0.949 286 D HN -0.534 7.775 8.370 0.022 0.074 0.509 287 N N -3.575 115.117 118.700 -0.013 0.000 2.994 287 N HA -0.414 nan 4.740 nan 0.000 0.221 287 N C -1.156 174.333 175.510 -0.035 0.000 0.900 287 N CA 1.521 54.551 53.050 -0.033 0.000 1.008 287 N CB -1.576 36.889 38.487 -0.037 0.000 1.053 287 N HN 0.428 8.688 8.380 -0.002 0.119 0.580 288 N N 1.899 120.585 118.700 -0.023 0.000 2.488 288 N HA 0.040 nan 4.740 nan 0.000 0.274 288 N C -0.946 174.544 175.510 -0.033 0.000 1.111 288 N CA 0.437 53.465 53.050 -0.036 0.000 0.974 288 N CB 1.054 39.525 38.487 -0.026 0.000 1.089 288 N HN -0.459 8.176 8.380 -0.011 -0.262 0.465 289 K N 2.566 122.913 120.400 -0.088 0.000 2.315 289 K HA 0.200 nan 4.320 nan 0.000 0.291 289 K C -0.249 176.328 176.600 -0.038 0.000 1.074 289 K CA -0.253 55.966 56.287 -0.113 0.000 0.936 289 K CB -0.529 31.714 32.500 -0.429 0.000 1.049 289 K HN 0.160 8.342 8.250 -0.114 0.000 0.471 290 I N 0.832 121.427 120.570 0.042 0.000 2.488 290 I HA 0.549 nan 4.170 nan 0.000 0.299 290 I C -2.041 174.141 176.117 0.109 0.000 0.984 290 I CA -3.339 57.991 61.300 0.050 0.000 1.250 290 I CB 0.993 39.015 38.000 0.036 0.000 1.389 290 I HN 0.291 8.543 8.210 0.069 0.000 0.488 291 P HA 0.098 nan 4.420 nan 0.000 0.271 291 P C -0.721 176.702 177.300 0.205 0.000 1.216 291 P CA -0.181 63.025 63.100 0.177 0.000 0.771 291 P CB 0.119 31.909 31.700 0.149 0.000 0.864 292 L N 5.599 126.971 121.223 0.250 0.000 2.391 292 L HA -0.051 nan 4.340 nan 0.000 0.249 292 L C -0.553 176.597 176.870 0.466 0.000 1.308 292 L CA -0.838 54.185 54.840 0.305 0.000 1.209 292 L CB -1.347 40.789 42.059 0.127 0.000 1.401 292 L HN 0.265 8.572 8.230 0.278 0.090 0.416 293 D N 3.106 123.709 120.400 0.339 0.000 2.354 293 D HA -0.098 nan 4.640 nan 0.000 0.238 293 D C 1.012 177.372 176.300 0.100 0.000 1.250 293 D CA 0.127 54.263 54.000 0.226 0.000 0.911 293 D CB 2.132 43.067 40.800 0.224 0.000 1.163 293 D HN -0.346 8.132 8.370 0.294 0.068 0.456 294 I N -0.039 120.376 120.570 -0.259 0.000 2.090 294 I HA -0.478 nan 4.170 nan 0.000 0.236 294 I C 1.612 177.380 176.117 -0.582 0.000 1.064 294 I CA 3.560 64.308 61.300 -0.918 0.000 1.324 294 I CB 0.145 37.715 38.000 -0.717 0.000 1.044 294 I HN 0.122 8.240 8.210 -0.154 0.000 0.399 295 E N -1.932 118.039 120.200 -0.382 0.000 2.001 295 E HA -0.359 nan 4.350 nan 0.000 0.195 295 E C 2.914 179.353 176.600 -0.269 0.000 1.002 295 E CA 2.903 59.070 56.400 -0.387 0.000 0.819 295 E CB -0.087 29.233 29.700 -0.633 0.000 0.769 295 E HN -0.613 7.667 8.360 -0.334 -0.120 0.454 296 H N -1.093 117.998 119.070 0.034 0.000 2.421 296 H HA -0.184 nan 4.556 nan 0.000 0.298 296 H C 2.559 177.974 175.328 0.144 0.000 1.087 296 H CA 2.703 58.797 56.048 0.075 0.000 1.330 296 H CB -0.354 29.447 29.762 0.063 0.000 1.388 296 H HN 0.080 8.449 8.280 -0.452 -0.361 0.526 297 G N -1.655 107.333 108.800 0.314 0.000 2.550 297 G HA2 -0.469 nan 3.960 nan 0.000 0.222 297 G HA3 -0.469 nan 3.960 nan 0.000 0.222 297 G C 0.772 175.912 174.900 0.399 0.000 1.113 297 G CA 2.491 47.870 45.100 0.464 0.000 0.748 297 G HN -0.210 8.199 8.290 0.259 0.036 0.585 298 T N 2.206 116.958 114.554 0.329 0.000 3.035 298 T HA -0.078 nan 4.350 nan 0.000 0.259 298 T C 1.767 176.609 174.700 0.237 0.000 1.078 298 T CA 3.773 66.044 62.100 0.285 0.000 1.132 298 T CB -0.300 68.678 68.868 0.183 0.000 0.900 298 T HN -0.714 7.627 8.240 0.258 0.053 0.480 299 D N 2.847 123.359 120.400 0.186 0.000 2.123 299 D HA -0.091 nan 4.640 nan 0.000 0.200 299 D C 1.306 177.701 176.300 0.157 0.000 0.976 299 D CA 2.922 57.018 54.000 0.160 0.000 0.831 299 D CB 0.006 40.886 40.800 0.132 0.000 0.974 299 D HN -0.115 8.362 8.370 0.179 0.000 0.469 300 I N -4.045 116.613 120.570 0.148 0.000 2.928 300 I HA -0.056 nan 4.170 nan 0.000 0.266 300 I C 1.624 177.759 176.117 0.030 0.000 1.234 300 I CA 2.684 64.035 61.300 0.085 0.000 1.483 300 I CB -0.016 38.029 38.000 0.076 0.000 1.097 300 I HN -0.398 7.918 8.210 0.176 0.000 0.455 301 L N 0.858 122.128 121.223 0.079 0.000 2.162 301 L HA 0.001 nan 4.340 nan 0.000 0.205 301 L C 1.373 178.343 176.870 0.167 0.000 1.086 301 L CA 2.123 56.965 54.840 0.004 0.000 0.778 301 L CB -0.066 41.983 42.059 -0.016 0.000 0.928 301 L HN 0.219 8.443 8.230 0.158 0.100 0.446 302 G N -1.606 107.449 108.800 0.426 0.000 2.402 302 G HA2 -0.417 nan 3.960 nan 0.000 0.216 302 G HA3 -0.417 nan 3.960 nan 0.000 0.216 302 G C 0.744 175.812 174.900 0.281 0.000 1.162 302 G CA 2.492 47.963 45.100 0.618 0.000 0.777 302 G HN -0.058 8.356 8.290 0.379 0.103 0.539 303 D N 0.873 121.350 120.400 0.129 0.000 2.097 303 D HA -0.324 nan 4.640 nan 0.000 0.195 303 D C 2.131 178.422 176.300 -0.015 0.000 0.989 303 D CA 2.819 56.828 54.000 0.016 0.000 0.827 303 D CB -0.718 40.102 40.800 0.033 0.000 0.966 303 D HN 0.168 8.629 8.370 0.152 0.000 0.456 304 I N -0.543 120.021 120.570 -0.010 0.000 2.127 304 I HA -0.464 nan 4.170 nan 0.000 0.241 304 I C 2.083 178.189 176.117 -0.017 0.000 1.075 304 I CA 3.137 64.410 61.300 -0.045 0.000 1.334 304 I CB 0.206 38.087 38.000 -0.198 0.000 1.040 304 I HN -0.894 7.315 8.210 -0.001 0.000 0.405 305 I N -1.747 118.823 120.570 0.000 0.000 2.394 305 I HA -0.452 nan 4.170 nan 0.000 0.251 305 I C 1.376 177.575 176.117 0.137 0.000 1.136 305 I CA 2.211 63.545 61.300 0.057 0.000 1.425 305 I CB -0.756 37.233 38.000 -0.019 0.000 1.079 305 I HN -0.021 8.187 8.210 -0.004 0.000 0.425 306 E N 0.082 120.291 120.200 0.014 0.000 2.023 306 E HA -0.295 nan 4.350 nan 0.000 0.196 306 E C -0.122 176.510 176.600 0.054 0.000 1.003 306 E CA 3.580 59.903 56.400 -0.128 0.000 0.809 306 E CB 0.099 29.385 29.700 -0.689 0.000 0.755 306 E HN -0.428 7.886 8.360 -0.036 0.024 0.449 307 S N -4.584 111.109 115.700 -0.011 0.000 2.687 307 S HA 0.318 nan 4.470 nan 0.000 0.283 307 S C -0.512 174.061 174.600 -0.046 0.000 1.170 307 S CA -0.769 57.412 58.200 -0.033 0.000 1.008 307 S CB 1.820 65.013 63.200 -0.012 0.000 1.026 307 S HN -0.516 7.779 8.310 -0.025 0.000 0.541 308 S N 0.578 116.257 115.700 -0.034 0.000 2.738 308 S HA 0.213 nan 4.470 nan 0.000 0.284 308 S C 1.416 176.029 174.600 0.020 0.000 1.146 308 S CA -0.413 57.784 58.200 -0.004 0.000 0.997 308 S CB 1.401 64.603 63.200 0.005 0.000 1.081 308 S HN 0.391 8.588 8.310 -0.031 0.094 0.553 309 D N 3.411 123.829 120.400 0.030 0.000 2.149 309 D HA -0.209 nan 4.640 nan 0.000 0.198 309 D C 1.029 177.346 176.300 0.028 0.000 0.990 309 D CA 3.148 57.163 54.000 0.025 0.000 0.839 309 D CB -0.080 40.721 40.800 0.001 0.000 0.948 309 D HN 0.554 8.944 8.370 0.034 0.000 0.460 310 E N -1.674 118.549 120.200 0.038 0.000 2.510 310 E HA -0.171 nan 4.350 nan 0.000 0.202 310 E C -0.504 176.117 176.600 0.036 0.000 1.072 310 E CA 0.816 57.241 56.400 0.041 0.000 0.883 310 E CB -0.413 29.320 29.700 0.057 0.000 0.818 310 E HN 0.218 8.607 8.360 0.049 0.000 0.548 311 S N -0.234 115.487 115.700 0.033 0.000 2.429 311 S HA -0.097 nan 4.470 nan 0.000 0.292 311 S C 0.280 174.920 174.600 0.067 0.000 1.183 311 S CA 0.163 58.388 58.200 0.041 0.000 1.088 311 S CB -0.021 63.204 63.200 0.041 0.000 1.018 311 S HN -0.629 7.488 8.310 0.031 0.212 0.511 312 K N 4.451 124.890 120.400 0.065 0.000 2.113 312 K HA -0.265 nan 4.320 nan 0.000 0.208 312 K C -0.528 176.157 176.600 0.142 0.000 1.047 312 K CA 2.380 58.717 56.287 0.083 0.000 0.928 312 K CB 0.177 32.715 32.500 0.063 0.000 0.716 312 K HN -0.061 8.213 8.250 0.040 0.000 0.446 313 N N -4.700 114.148 118.700 0.247 0.000 2.249 313 N HA 0.209 nan 4.740 nan 0.000 0.296 313 N C -0.155 175.508 175.510 0.254 0.000 1.051 313 N CA -1.286 51.929 53.050 0.275 0.000 0.815 313 N CB 2.510 41.197 38.487 0.332 0.000 1.487 313 N HN -0.469 8.075 8.380 0.273 0.000 0.475 314 V N -0.745 119.249 119.914 0.133 0.000 2.690 314 V HA 0.284 nan 4.120 nan 0.000 0.240 314 V C 1.182 177.276 176.094 0.000 0.000 1.078 314 V CA 1.962 64.298 62.300 0.059 0.000 1.102 314 V CB 0.399 32.259 31.823 0.061 0.000 0.800 314 V HN 0.503 8.767 8.190 0.124 0.000 0.479 315 E N 1.523 121.758 120.200 0.057 0.000 2.107 315 E HA -0.354 nan 4.350 nan 0.000 0.191 315 E C 1.823 178.469 176.600 0.078 0.000 0.982 315 E CA 2.728 59.179 56.400 0.085 0.000 0.809 315 E CB -0.334 29.436 29.700 0.115 0.000 0.756 315 E HN -0.252 8.313 8.360 0.088 -0.152 0.459 316 Y N 1.128 121.371 120.300 -0.095 0.000 2.153 316 Y HA -0.337 nan 4.550 nan 0.000 0.289 316 Y C 2.268 177.939 175.900 -0.382 0.000 1.127 316 Y CA 4.626 62.578 58.100 -0.246 0.000 1.131 316 Y CB 0.706 38.900 38.460 -0.443 0.000 0.995 316 Y HN -0.285 8.352 8.280 0.124 -0.282 0.505 317 Y N -3.982 116.277 120.300 -0.067 0.000 2.482 317 Y HA -0.066 nan 4.550 nan 0.000 0.270 317 Y C -0.022 175.472 175.900 -0.676 0.000 1.152 317 Y CA 0.974 58.950 58.100 -0.206 0.000 1.292 317 Y CB 0.131 38.560 38.460 -0.052 0.000 1.070 317 Y HN -0.670 7.553 8.280 -0.094 0.000 0.528 318 G N -1.405 106.789 108.800 -1.010 0.000 2.525 318 G HA2 -0.378 nan 3.960 nan 0.000 0.248 318 G HA3 -0.378 nan 3.960 nan 0.000 0.248 318 G C -2.129 172.440 174.900 -0.551 0.000 1.238 318 G CA 0.009 44.099 45.100 -1.685 0.000 0.926 318 G HN -0.292 7.552 8.290 -0.576 0.101 0.574 319 S N 0.123 115.660 115.700 -0.271 0.000 2.399 319 S HA 0.220 nan 4.470 nan 0.000 0.198 319 S C 0.317 175.045 174.600 0.213 0.000 1.294 319 S CA -0.659 57.553 58.200 0.021 0.000 1.237 319 S CB 0.590 63.733 63.200 -0.096 0.000 1.286 319 S HN 0.146 8.257 8.310 -0.331 0.000 0.404 320 L N 6.364 127.739 121.223 0.254 0.000 2.081 320 L HA -0.409 nan 4.340 nan 0.000 0.212 320 L C 0.345 177.603 176.870 0.647 0.000 1.080 320 L CA 3.387 58.556 54.840 0.549 0.000 0.754 320 L CB -0.362 42.002 42.059 0.509 0.000 0.893 320 L HN -0.078 8.237 8.230 0.143 0.000 0.433 321 H N -0.383 118.953 119.070 0.443 0.000 2.253 321 H HA -0.440 nan 4.556 nan 0.000 0.296 321 H C 2.048 177.466 175.328 0.150 0.000 1.074 321 H CA 4.525 60.862 56.048 0.481 0.000 1.263 321 H CB -0.213 29.790 29.762 0.401 0.000 1.363 321 H HN 0.002 8.551 8.280 0.478 0.018 0.489 322 N N -0.259 118.181 118.700 -0.433 0.000 2.084 322 N HA -0.339 nan 4.740 nan 0.000 0.190 322 N C 2.178 177.274 175.510 -0.689 0.000 1.030 322 N CA 2.665 55.222 53.050 -0.821 0.000 0.849 322 N CB -0.637 37.591 38.487 -0.431 0.000 1.012 322 N HN -0.407 7.972 8.380 -0.001 0.000 0.423 323 W N -0.916 120.275 121.300 -0.182 0.000 2.335 323 W HA -0.304 nan 4.660 nan 0.000 0.311 323 W C 1.891 178.286 176.519 -0.207 0.000 1.213 323 W CA 3.043 60.356 57.345 -0.053 0.000 1.274 323 W CB -0.095 29.498 29.460 0.221 0.000 1.148 323 W HN 0.352 8.495 8.180 -0.061 0.000 0.498 324 G N -3.370 105.311 108.800 -0.198 0.000 2.469 324 G HA2 -0.461 nan 3.960 nan 0.000 0.220 324 G HA3 -0.461 nan 3.960 nan 0.000 0.220 324 G C 1.145 175.502 174.900 -0.905 0.000 1.136 324 G CA 2.161 46.691 45.100 -0.950 0.000 0.759 324 G HN 0.198 8.505 8.290 0.029 0.000 0.562 325 H N 1.608 120.116 119.070 -0.938 0.000 2.353 325 H HA -0.298 nan 4.556 nan 0.000 0.300 325 H C 2.397 177.497 175.328 -0.380 0.000 1.090 325 H CA 3.603 59.199 56.048 -0.754 0.000 1.327 325 H CB 0.243 29.272 29.762 -1.222 0.000 1.383 325 H HN -0.525 7.195 8.280 -0.715 0.130 0.508 326 V N -1.447 118.403 119.914 -0.107 0.000 2.220 326 V HA -0.489 nan 4.120 nan 0.000 0.246 326 V C 2.058 178.186 176.094 0.056 0.000 1.049 326 V CA 3.807 66.171 62.300 0.106 0.000 1.003 326 V CB -0.859 31.106 31.823 0.237 0.000 0.634 326 V HN -0.405 7.574 8.190 -0.202 0.090 0.444 327 M N -2.608 117.019 119.600 0.046 0.000 2.144 327 M HA -0.417 nan 4.480 nan 0.000 0.260 327 M C 2.217 178.502 176.300 -0.025 0.000 1.067 327 M CA 3.507 58.833 55.300 0.044 0.000 1.095 327 M CB -0.280 32.370 32.600 0.083 0.000 1.365 327 M HN -0.770 7.570 8.290 0.083 0.000 0.406 328 M N -3.115 116.384 119.600 -0.168 0.000 2.562 328 M HA -0.113 nan 4.480 nan 0.000 0.257 328 M C 0.723 176.970 176.300 -0.088 0.000 1.099 328 M CA 2.384 57.565 55.300 -0.198 0.000 1.099 328 M CB 0.315 32.672 32.600 -0.405 0.000 1.427 328 M HN -0.043 8.089 8.290 -0.263 0.000 0.489 329 A N -1.550 121.249 122.820 -0.035 0.000 2.055 329 A HA 0.119 nan 4.320 nan 0.000 0.205 329 A C 0.215 177.835 177.584 0.060 0.000 1.235 329 A CA 1.893 53.949 52.037 0.032 0.000 0.822 329 A CB 0.832 19.877 19.000 0.076 0.000 0.903 329 A HN 0.117 8.062 8.150 -0.036 0.183 0.473 330 N N -1.307 117.427 118.700 0.057 0.000 2.346 330 N HA -0.059 nan 4.740 nan 0.000 0.225 330 N C 1.404 176.953 175.510 0.064 0.000 1.144 330 N CA -0.397 52.691 53.050 0.063 0.000 0.837 330 N CB -0.961 37.558 38.487 0.053 0.000 1.069 330 N HN 0.282 8.693 8.380 0.052 0.000 0.487 331 I N -1.450 119.157 120.570 0.061 0.000 2.850 331 I HA -0.238 nan 4.170 nan 0.000 0.266 331 I C 0.300 176.428 176.117 0.017 0.000 1.257 331 I CA 1.684 63.027 61.300 0.071 0.000 1.465 331 I CB -0.143 37.910 38.000 0.087 0.000 1.091 331 I HN -0.171 7.947 8.210 0.056 0.126 0.467 332 T N -0.399 114.166 114.554 0.019 0.000 3.009 332 T HA -0.054 nan 4.350 nan 0.000 0.258 332 T C -1.230 173.488 174.700 0.030 0.000 1.063 332 T CA 1.282 63.378 62.100 -0.007 0.000 1.139 332 T CB 0.724 69.608 68.868 0.027 0.000 0.890 332 T HN 0.028 8.243 8.240 0.048 0.054 0.471 333 D N -1.495 118.945 120.400 0.066 0.000 3.117 333 D HA 0.417 nan 4.640 nan 0.000 0.241 333 D C -2.181 174.194 176.300 0.125 0.000 1.385 333 D CA -1.360 52.718 54.000 0.130 0.000 0.855 333 D CB 0.691 41.668 40.800 0.295 0.000 1.498 333 D HN -0.309 7.909 8.370 0.047 0.180 0.584 334 P HA -0.138 nan 4.420 nan 0.000 0.215 334 P C 0.841 178.196 177.300 0.091 0.000 1.157 334 P CA 1.784 64.932 63.100 0.080 0.000 0.856 334 P CB 0.125 31.874 31.700 0.082 0.000 0.786 335 D N -1.660 118.759 120.400 0.032 0.000 2.158 335 D HA -0.268 nan 4.640 nan 0.000 0.197 335 D C 0.582 176.900 176.300 0.031 0.000 0.995 335 D CA 1.942 55.939 54.000 -0.004 0.000 0.846 335 D CB -0.299 40.441 40.800 -0.100 0.000 0.941 335 D HN 0.287 8.654 8.370 -0.005 0.000 0.456 336 H N -3.120 115.893 119.070 -0.095 0.000 3.211 336 H HA -0.341 nan 4.556 nan 0.000 0.240 336 H C 0.995 176.273 175.328 -0.082 0.000 1.148 336 H CA 1.413 57.426 56.048 -0.057 0.000 1.160 336 H CB -0.902 28.849 29.762 -0.019 0.000 1.232 336 H HN -0.329 8.158 8.280 0.039 -0.183 0.321 337 R N -1.492 118.843 120.500 -0.275 0.000 2.153 337 R HA -0.351 nan 4.340 nan 0.000 0.252 337 R C 0.452 176.603 176.300 -0.248 0.000 1.158 337 R CA 2.864 58.773 56.100 -0.318 0.000 0.975 337 R CB -1.067 28.951 30.300 -0.469 0.000 0.871 337 R HN -0.366 7.809 8.270 -0.236 -0.046 0.450 338 F N -4.002 115.814 119.950 -0.224 0.000 2.416 338 F HA 0.024 nan 4.527 nan 0.000 0.296 338 F C -0.321 175.326 175.800 -0.256 0.000 1.099 338 F CA -0.709 57.176 58.000 -0.192 0.000 1.427 338 F CB 0.060 38.981 39.000 -0.131 0.000 1.079 338 F HN -0.493 7.852 8.300 -0.315 -0.233 0.536 339 Q N -4.740 114.851 119.800 -0.349 0.000 2.489 339 Q HA -0.345 nan 4.340 nan 0.000 0.259 339 Q C -0.683 175.302 176.000 -0.025 0.000 0.934 339 Q CA 0.802 56.401 55.803 -0.341 0.000 1.131 339 Q CB -2.098 26.554 28.738 -0.143 0.000 1.472 339 Q HN -0.439 7.513 8.270 -0.687 -0.095 0.560 340 E N -1.087 119.153 120.200 0.067 0.000 2.376 340 E HA -0.096 nan 4.350 nan 0.000 0.266 340 E C -0.512 176.182 176.600 0.156 0.000 1.009 340 E CA 0.128 56.586 56.400 0.098 0.000 0.902 340 E CB 0.662 30.414 29.700 0.088 0.000 0.972 340 E HN -0.477 7.878 8.360 0.059 0.040 0.439 341 N N 6.283 125.007 118.700 0.040 0.000 2.434 341 N HA 0.135 nan 4.740 nan 0.000 0.268 341 N C -1.990 173.524 175.510 0.007 0.000 1.256 341 N CA -1.332 51.695 53.050 -0.038 0.000 0.914 341 N CB -0.798 37.559 38.487 -0.217 0.000 1.088 341 N HN 0.256 8.637 8.380 0.002 0.000 0.478 342 P HA -0.073 nan 4.420 nan 0.000 0.271 342 P C -0.420 177.001 177.300 0.200 0.000 1.238 342 P CA -0.012 63.148 63.100 0.100 0.000 0.794 342 P CB 0.659 32.395 31.700 0.060 0.000 0.959 343 G N -0.992 107.907 108.800 0.166 0.000 2.432 343 G HA2 -0.094 nan 3.960 nan 0.000 0.239 343 G HA3 -0.094 nan 3.960 nan 0.000 0.239 343 G C 1.158 176.166 174.900 0.179 0.000 1.291 343 G CA -0.703 44.499 45.100 0.171 0.000 0.863 343 G HN 0.039 8.402 8.290 0.122 0.000 0.560 344 V N -1.751 118.224 119.914 0.101 0.000 3.099 344 V HA -0.417 nan 4.120 nan 0.000 0.269 344 V C 1.342 177.454 176.094 0.031 0.000 1.150 344 V CA 2.031 64.306 62.300 -0.041 0.000 1.165 344 V CB -0.821 30.875 31.823 -0.213 0.000 0.756 344 V HN 0.646 8.891 8.190 0.093 0.000 0.527 345 M N 0.803 120.462 119.600 0.097 0.000 2.562 345 M HA -0.086 nan 4.480 nan 0.000 0.257 345 M C 1.328 177.879 176.300 0.420 0.000 1.099 345 M CA 1.244 56.660 55.300 0.194 0.000 1.099 345 M CB -0.925 31.692 32.600 0.027 0.000 1.427 345 M HN -0.192 8.051 8.290 0.089 0.101 0.489 346 S N -0.919 114.971 115.700 0.317 0.000 2.481 346 S HA -0.167 nan 4.470 nan 0.000 0.231 346 S C -0.402 174.281 174.600 0.139 0.000 0.996 346 S CA 2.495 60.884 58.200 0.315 0.000 0.942 346 S CB -0.159 63.115 63.200 0.124 0.000 0.768 346 S HN -0.324 8.066 8.310 0.224 0.053 0.520 347 D N -1.529 118.996 120.400 0.208 0.000 2.490 347 D HA 0.187 nan 4.640 nan 0.000 0.232 347 D C -0.429 176.059 176.300 0.313 0.000 1.053 347 D CA -0.720 53.388 54.000 0.180 0.000 0.914 347 D CB 2.648 43.565 40.800 0.194 0.000 1.431 347 D HN -0.976 7.485 8.370 0.243 0.055 0.483 348 T N 1.156 115.955 114.554 0.408 0.000 3.014 348 T HA 0.120 nan 4.350 nan 0.000 0.263 348 T C 1.572 176.589 174.700 0.528 0.000 1.078 348 T CA 2.680 65.128 62.100 0.580 0.000 1.135 348 T CB -0.398 68.801 68.868 0.552 0.000 0.895 348 T HN 0.539 9.025 8.240 0.410 0.000 0.480 349 S N 1.003 116.952 115.700 0.416 0.000 2.406 349 S HA -0.134 nan 4.470 nan 0.000 0.228 349 S C 1.297 175.742 174.600 -0.258 0.000 1.020 349 S CA 3.129 61.389 58.200 0.100 0.000 0.965 349 S CB -0.064 63.131 63.200 -0.008 0.000 0.798 349 S HN -0.369 8.674 8.310 0.528 -0.417 0.488 350 T N -1.584 112.838 114.554 -0.220 0.000 2.939 350 T HA 0.218 nan 4.350 nan 0.000 0.254 350 T C 2.204 176.686 174.700 -0.364 0.000 1.041 350 T CA 2.378 64.265 62.100 -0.356 0.000 1.142 350 T CB 0.023 68.659 68.868 -0.387 0.000 0.874 350 T HN -0.332 8.137 8.240 -0.071 -0.272 0.452 351 S N 4.124 119.655 115.700 -0.282 0.000 2.570 351 S HA -0.476 nan 4.470 nan 0.000 0.300 351 S C 1.466 175.457 174.600 -1.015 0.000 1.224 351 S CA 3.163 61.095 58.200 -0.446 0.000 1.103 351 S CB -1.306 61.800 63.200 -0.157 0.000 1.009 351 S HN -0.013 8.230 8.310 -0.113 0.000 0.458 352 L N -1.052 119.517 121.223 -1.090 0.000 2.567 352 L HA 0.076 nan 4.340 nan 0.000 0.225 352 L C 0.732 177.251 176.870 -0.585 0.000 1.119 352 L CA 0.970 55.072 54.840 -1.229 0.000 0.871 352 L CB -0.200 41.289 42.059 -0.950 0.000 1.036 352 L HN -0.657 7.050 8.230 -0.793 0.048 0.459 353 R N -2.106 118.131 120.500 -0.439 0.000 2.062 353 R HA -0.212 nan 4.340 nan 0.000 0.229 353 R C 0.143 176.106 176.300 -0.562 0.000 1.128 353 R CA 1.840 57.766 56.100 -0.291 0.000 0.960 353 R CB -0.234 30.023 30.300 -0.072 0.000 0.855 353 R HN -0.899 7.043 8.270 -0.467 0.047 0.432 354 D N 1.134 121.172 120.400 -0.602 0.000 2.382 354 D HA 0.206 nan 4.640 nan 0.000 0.259 354 D C -0.774 175.321 176.300 -0.342 0.000 1.224 354 D CA -2.564 51.022 54.000 -0.691 0.000 0.894 354 D CB 0.336 40.992 40.800 -0.240 0.000 1.127 354 D HN -0.562 7.553 8.370 -0.424 0.000 0.487 355 P HA -0.188 nan 4.420 nan 0.000 0.217 355 P C 0.781 178.160 177.300 0.132 0.000 1.148 355 P CA 2.202 65.324 63.100 0.036 0.000 0.828 355 P CB -0.012 31.712 31.700 0.039 0.000 0.783 356 I N -5.317 115.276 120.570 0.038 0.000 2.567 356 I HA -0.405 nan 4.170 nan 0.000 0.257 356 I C 1.007 177.118 176.117 -0.010 0.000 1.184 356 I CA 2.324 63.642 61.300 0.030 0.000 1.451 356 I CB -0.744 37.238 38.000 -0.030 0.000 1.089 356 I HN -0.859 7.320 8.210 -0.014 0.022 0.441 357 F N 2.237 122.012 119.950 -0.293 0.000 2.085 357 F HA -0.592 nan 4.527 nan 0.000 0.299 357 F C 0.645 176.073 175.800 -0.620 0.000 1.096 357 F CA 4.569 62.229 58.000 -0.567 0.000 1.227 357 F CB 0.034 38.501 39.000 -0.890 0.000 0.983 357 F HN -0.377 7.789 8.300 -0.014 0.126 0.482 358 Y N -5.273 114.924 120.300 -0.173 0.000 2.395 358 Y HA -0.343 nan 4.550 nan 0.000 0.293 358 Y C 1.891 177.808 175.900 0.028 0.000 1.123 358 Y CA 3.038 61.043 58.100 -0.159 0.000 1.227 358 Y CB -0.629 37.742 38.460 -0.149 0.000 1.012 358 Y HN -0.689 7.510 8.280 -0.110 0.015 0.552 359 R N 0.837 121.454 120.500 0.194 0.000 2.073 359 R HA -0.394 nan 4.340 nan 0.000 0.234 359 R C 2.178 178.625 176.300 0.245 0.000 1.134 359 R CA 3.643 59.875 56.100 0.219 0.000 0.952 359 R CB -0.389 30.036 30.300 0.209 0.000 0.850 359 R HN -0.347 7.862 8.270 0.153 0.153 0.433 360 W N -1.576 119.754 121.300 0.050 0.000 2.425 360 W HA -0.203 nan 4.660 nan 0.000 0.277 360 W C 0.768 177.442 176.519 0.258 0.000 1.231 360 W CA 3.634 61.062 57.345 0.139 0.000 1.248 360 W CB 0.218 29.653 29.460 -0.042 0.000 1.117 360 W HN -0.264 8.056 8.180 0.233 0.000 0.568 361 H N -1.745 117.317 119.070 -0.012 0.000 2.525 361 H HA 0.039 nan 4.556 nan 0.000 0.275 361 H C 2.890 178.237 175.328 0.032 0.000 0.984 361 H CA 2.859 58.883 56.048 -0.041 0.000 1.264 361 H CB 0.102 29.743 29.762 -0.200 0.000 1.432 361 H HN -0.583 7.685 8.280 0.299 0.191 0.549 362 R N -0.013 120.607 120.500 0.200 0.000 2.115 362 R HA -0.188 nan 4.340 nan 0.000 0.226 362 R C 1.690 178.063 176.300 0.122 0.000 1.100 362 R CA 1.859 58.059 56.100 0.167 0.000 0.980 362 R CB -0.884 29.523 30.300 0.180 0.000 0.875 362 R HN 0.265 8.669 8.270 0.223 0.000 0.445 363 F N 1.885 121.759 119.950 -0.128 0.000 2.051 363 F HA -0.298 nan 4.527 nan 0.000 0.296 363 F C 1.584 177.204 175.800 -0.301 0.000 1.122 363 F CA 2.735 60.564 58.000 -0.285 0.000 1.201 363 F CB -0.194 38.464 39.000 -0.571 0.000 0.978 363 F HN -0.793 7.464 8.300 0.149 0.132 0.472 364 I N -4.746 115.520 120.570 -0.506 0.000 2.208 364 I HA -0.614 nan 4.170 nan 0.000 0.245 364 I C 1.317 177.362 176.117 -0.121 0.000 1.097 364 I CA 3.693 64.727 61.300 -0.442 0.000 1.363 364 I CB -0.738 37.152 38.000 -0.183 0.000 1.051 364 I HN -0.079 7.860 8.210 -0.453 0.000 0.413 365 D N 0.203 120.666 120.400 0.104 0.000 2.149 365 D HA -0.381 nan 4.640 nan 0.000 0.198 365 D C 2.063 178.439 176.300 0.126 0.000 0.990 365 D CA 3.712 57.886 54.000 0.291 0.000 0.839 365 D CB -0.146 40.804 40.800 0.250 0.000 0.948 365 D HN -0.428 7.972 8.370 0.050 0.000 0.460 366 N N -0.951 117.742 118.700 -0.011 0.000 2.166 366 N HA -0.250 nan 4.740 nan 0.000 0.186 366 N C 2.598 178.017 175.510 -0.151 0.000 1.019 366 N CA 3.179 56.203 53.050 -0.043 0.000 0.856 366 N CB -0.119 38.374 38.487 0.010 0.000 0.993 366 N HN 0.059 8.184 8.380 -0.044 0.229 0.426 367 I N 0.351 120.726 120.570 -0.325 0.000 2.142 367 I HA -0.522 nan 4.170 nan 0.000 0.240 367 I C 1.642 177.547 176.117 -0.353 0.000 1.078 367 I CA 4.216 65.269 61.300 -0.412 0.000 1.343 367 I CB -0.168 37.456 38.000 -0.627 0.000 1.046 367 I HN -0.572 7.284 8.210 -0.409 0.109 0.405 368 F N -1.257 118.525 119.950 -0.281 0.000 2.161 368 F HA -0.457 nan 4.527 nan 0.000 0.300 368 F C 2.290 177.840 175.800 -0.416 0.000 1.089 368 F CA 4.068 61.815 58.000 -0.422 0.000 1.282 368 F CB -0.985 37.569 39.000 -0.742 0.000 1.010 368 F HN -0.359 7.740 8.300 -0.336 0.000 0.485 369 Q N -2.264 117.486 119.800 -0.083 0.000 2.124 369 Q HA -0.358 nan 4.340 nan 0.000 0.202 369 Q C 2.880 178.805 176.000 -0.125 0.000 0.977 369 Q CA 3.195 58.954 55.803 -0.073 0.000 0.850 369 Q CB -0.829 27.911 28.738 0.003 0.000 0.901 369 Q HN 0.631 8.770 8.270 -0.015 0.122 0.429 370 E N -0.037 120.078 120.200 -0.141 0.000 2.110 370 E HA -0.390 nan 4.350 nan 0.000 0.193 370 E C 2.318 178.787 176.600 -0.219 0.000 0.988 370 E CA 3.021 59.325 56.400 -0.159 0.000 0.804 370 E CB -0.291 29.316 29.700 -0.156 0.000 0.745 370 E HN -0.175 8.009 8.360 -0.141 0.092 0.458 371 H N 0.546 119.388 119.070 -0.380 0.000 2.357 371 H HA -0.169 nan 4.556 nan 0.000 0.301 371 H C 2.430 177.183 175.328 -0.960 0.000 1.082 371 H CA 2.738 58.445 56.048 -0.567 0.000 1.342 371 H CB 0.057 29.561 29.762 -0.430 0.000 1.389 371 H HN -0.536 7.540 8.280 -0.159 0.108 0.511 372 K N -1.992 117.995 120.400 -0.687 0.000 2.097 372 K HA -0.314 nan 4.320 nan 0.000 0.206 372 K C 2.529 178.904 176.600 -0.375 0.000 1.049 372 K CA 2.070 58.053 56.287 -0.507 0.000 0.933 372 K CB -0.532 31.879 32.500 -0.148 0.000 0.717 372 K HN -0.073 7.935 8.250 -0.404 0.000 0.442 373 K N -1.712 118.515 120.400 -0.288 0.000 2.097 373 K HA -0.183 nan 4.320 nan 0.000 0.206 373 K C 2.325 178.794 176.600 -0.218 0.000 1.049 373 K CA 2.433 58.604 56.287 -0.194 0.000 0.933 373 K CB 0.201 32.619 32.500 -0.138 0.000 0.717 373 K HN -0.104 7.795 8.250 -0.272 0.188 0.442 374 S N -2.142 113.390 115.700 -0.280 0.000 2.453 374 S HA -0.142 nan 4.470 nan 0.000 0.231 374 S C 0.610 175.098 174.600 -0.186 0.000 1.005 374 S CA 1.992 60.088 58.200 -0.173 0.000 0.949 374 S CB 0.419 63.632 63.200 0.021 0.000 0.774 374 S HN -0.370 7.734 8.310 -0.343 0.000 0.510 375 F N 2.781 122.604 119.950 -0.212 0.000 2.496 375 F HA -0.020 nan 4.527 nan 0.000 0.344 375 F C -0.025 175.572 175.800 -0.337 0.000 1.155 375 F CA -0.117 57.733 58.000 -0.249 0.000 1.302 375 F CB -0.079 38.803 39.000 -0.197 0.000 1.159 375 F HN -0.816 7.077 8.300 -0.678 0.000 0.595 376 H N 1.142 120.254 119.070 0.070 0.000 2.511 376 H HA 0.147 nan 4.556 nan 0.000 0.346 376 H C -1.434 173.794 175.328 -0.166 0.000 1.128 376 H CA -0.991 55.036 56.048 -0.036 0.000 1.342 376 H CB -0.062 29.682 29.762 -0.029 0.000 1.470 376 H HN 0.238 8.629 8.280 0.184 0.000 0.546 377 P HA -0.164 nan 4.420 nan 0.000 0.271 377 P C -1.228 175.969 177.300 -0.171 0.000 1.228 377 P CA 0.672 63.706 63.100 -0.110 0.000 0.797 377 P CB 0.426 32.149 31.700 0.037 0.000 0.914 378 Y N -0.595 119.787 120.300 0.137 0.000 2.327 378 Y HA -0.018 nan 4.550 nan 0.000 0.336 378 Y C 0.302 176.231 175.900 0.047 0.000 1.035 378 Y CA 0.360 58.513 58.100 0.089 0.000 1.165 378 Y CB 0.338 38.825 38.460 0.046 0.000 1.181 378 Y HN 0.240 8.616 8.280 0.160 0.000 0.494 379 T N 4.912 119.597 114.554 0.218 0.000 2.932 379 T HA 0.049 nan 4.350 nan 0.000 0.312 379 T C 1.088 175.824 174.700 0.060 0.000 1.071 379 T CA -0.027 62.138 62.100 0.109 0.000 1.128 379 T CB 0.537 69.454 68.868 0.082 0.000 0.984 379 T HN 0.321 8.709 8.240 0.247 0.000 0.549 380 K N 3.633 124.040 120.400 0.012 0.000 2.103 380 K HA -0.461 nan 4.320 nan 0.000 0.207 380 K C 2.108 178.693 176.600 -0.024 0.000 1.048 380 K CA 3.531 59.795 56.287 -0.038 0.000 0.930 380 K CB -0.033 32.450 32.500 -0.027 0.000 0.716 380 K HN 0.370 8.635 8.250 0.024 0.000 0.444 381 E N -0.623 119.580 120.200 0.005 0.000 2.035 381 E HA -0.302 nan 4.350 nan 0.000 0.204 381 E C 2.382 178.993 176.600 0.018 0.000 1.025 381 E CA 3.241 59.649 56.400 0.013 0.000 0.835 381 E CB -0.381 29.332 29.700 0.021 0.000 0.764 381 E HN -0.087 8.278 8.360 0.012 0.002 0.457 382 E N -1.399 118.824 120.200 0.039 0.000 2.085 382 E HA -0.266 nan 4.350 nan 0.000 0.194 382 E C 1.107 177.711 176.600 0.006 0.000 0.994 382 E CA 2.255 58.685 56.400 0.050 0.000 0.801 382 E CB -0.749 29.040 29.700 0.148 0.000 0.743 382 E HN 0.135 8.528 8.360 0.055 0.000 0.453 383 L N -4.526 116.660 121.223 -0.062 0.000 2.465 383 L HA -0.089 nan 4.340 nan 0.000 0.224 383 L C 0.057 176.871 176.870 -0.094 0.000 1.145 383 L CA 0.977 55.712 54.840 -0.176 0.000 0.834 383 L CB 0.244 42.099 42.059 -0.339 0.000 0.944 383 L HN -0.409 7.702 8.230 -0.039 0.095 0.451 384 S N -1.173 114.515 115.700 -0.020 0.000 2.420 384 S HA 0.104 nan 4.470 nan 0.000 0.313 384 S C -1.266 173.415 174.600 0.136 0.000 1.079 384 S CA -0.688 57.535 58.200 0.038 0.000 1.104 384 S CB 0.413 63.621 63.200 0.013 0.000 0.969 384 S HN -0.476 7.643 8.310 -0.014 0.183 0.471 385 F N 8.414 128.347 119.950 -0.028 0.000 2.487 385 F HA 0.184 nan 4.527 nan 0.000 0.364 385 F C -2.048 173.747 175.800 -0.008 0.000 1.126 385 F CA -3.345 54.649 58.000 -0.011 0.000 1.135 385 F CB 0.248 39.246 39.000 -0.002 0.000 1.127 385 F HN 0.186 8.921 8.300 0.241 -0.291 0.559 386 P HA 0.026 nan 4.420 nan 0.000 0.267 386 P C -0.430 176.740 177.300 -0.216 0.000 1.205 386 P CA 0.458 63.511 63.100 -0.078 0.000 0.765 386 P CB 0.119 31.796 31.700 -0.038 0.000 0.828 387 G N 2.200 110.906 108.800 -0.157 0.000 2.336 387 G HA2 -0.369 nan 3.960 nan 0.000 0.233 387 G HA3 -0.369 nan 3.960 nan 0.000 0.233 387 G C -1.047 173.741 174.900 -0.187 0.000 1.053 387 G CA 0.386 45.389 45.100 -0.162 0.000 0.625 387 G HN 0.367 8.597 8.290 -0.101 0.000 0.511 388 V N 2.874 122.611 119.914 -0.295 0.000 2.455 388 V HA 0.008 nan 4.120 nan 0.000 0.273 388 V C -1.060 174.991 176.094 -0.073 0.000 1.045 388 V CA -0.154 62.014 62.300 -0.219 0.000 0.976 388 V CB -0.206 31.379 31.823 -0.396 0.000 0.993 388 V HN -0.715 7.144 8.190 -0.419 0.079 0.475 389 E N 8.039 128.222 120.200 -0.027 0.000 2.129 389 E HA 0.250 nan 4.350 nan 0.000 0.268 389 E C -0.251 176.371 176.600 0.037 0.000 0.900 389 E CA -1.699 54.706 56.400 0.010 0.000 0.755 389 E CB 2.800 32.502 29.700 0.003 0.000 1.117 389 E HN 0.229 8.440 8.360 -0.034 0.129 0.410 390 V N 9.061 129.012 119.914 0.062 0.000 2.415 390 V HA -0.166 nan 4.120 nan 0.000 0.252 390 V C 0.065 176.196 176.094 0.061 0.000 1.043 390 V CA 1.708 64.053 62.300 0.076 0.000 1.149 390 V CB -1.860 30.024 31.823 0.101 0.000 1.143 390 V HN 0.749 8.980 8.190 0.068 0.000 0.478 391 V N 7.436 127.382 119.914 0.052 0.000 3.141 391 V HA -0.050 nan 4.120 nan 0.000 0.265 391 V C 0.313 176.436 176.094 0.049 0.000 1.126 391 V CA 0.607 62.933 62.300 0.043 0.000 1.141 391 V CB -0.396 31.448 31.823 0.035 0.000 0.743 391 V HN 0.544 8.670 8.190 0.053 0.096 0.492 392 G N -3.390 105.449 108.800 0.064 0.000 2.361 392 G HA2 -0.115 nan 3.960 nan 0.000 0.305 392 G HA3 -0.115 nan 3.960 nan 0.000 0.305 392 G C -3.096 171.859 174.900 0.092 0.000 1.367 392 G CA 0.169 45.311 45.100 0.071 0.000 0.951 392 G HN -0.701 7.603 8.290 0.070 0.027 0.615 393 V N -1.982 117.996 119.914 0.108 0.000 3.160 393 V HA 0.778 nan 4.120 nan 0.000 0.310 393 V C -1.422 174.745 176.094 0.122 0.000 1.181 393 V CA -2.241 60.145 62.300 0.144 0.000 1.047 393 V CB 3.537 35.488 31.823 0.213 0.000 1.068 393 V HN 0.200 8.447 8.190 0.095 0.000 0.441 394 S N -1.031 114.746 115.700 0.127 0.000 2.552 394 S HA 0.516 nan 4.470 nan 0.000 0.272 394 S C -2.196 172.456 174.600 0.087 0.000 1.150 394 S CA -0.425 57.832 58.200 0.096 0.000 0.849 394 S CB 4.088 67.326 63.200 0.063 0.000 1.113 394 S HN -0.146 8.251 8.310 0.146 0.000 0.458 395 I N -1.995 118.620 120.570 0.075 0.000 2.404 395 I HA 0.624 nan 4.170 nan 0.000 0.293 395 I C -2.048 174.104 176.117 0.059 0.000 0.992 395 I CA -2.051 59.290 61.300 0.068 0.000 1.149 395 I CB 1.669 39.764 38.000 0.158 0.000 1.315 395 I HN 0.669 9.266 8.210 0.072 -0.344 0.446 396 N N 7.054 125.783 118.700 0.048 0.000 2.558 396 N HA 0.363 nan 4.740 nan 0.000 0.242 396 N C -0.740 174.809 175.510 0.066 0.000 0.979 396 N CA -0.267 52.808 53.050 0.041 0.000 0.931 396 N CB 0.892 39.392 38.487 0.021 0.000 1.122 396 N HN -0.141 8.252 8.380 0.022 0.000 0.508 397 S N 6.859 122.594 115.700 0.058 0.000 3.320 397 S HA 0.083 nan 4.470 nan 0.000 0.185 397 S C 0.157 174.774 174.600 0.028 0.000 1.028 397 S CA 1.020 59.255 58.200 0.059 0.000 1.641 397 S CB 0.754 63.960 63.200 0.011 0.000 0.630 397 S HN 0.437 8.769 8.310 0.036 0.000 0.555 398 K N 1.037 121.440 120.400 0.005 0.000 2.148 398 K HA -0.125 nan 4.320 nan 0.000 0.204 398 K C -0.598 175.999 176.600 -0.004 0.000 1.050 398 K CA 1.802 58.085 56.287 -0.005 0.000 0.942 398 K CB 0.487 32.974 32.500 -0.022 0.000 0.724 398 K HN -0.240 8.421 8.250 -0.003 -0.413 0.446 399 T N -0.841 113.711 114.554 -0.004 0.000 2.831 399 T HA 0.225 nan 4.350 nan 0.000 0.287 399 T C -2.258 172.445 174.700 0.005 0.000 1.070 399 T CA -1.897 60.202 62.100 -0.002 0.000 1.010 399 T CB 3.295 72.158 68.868 -0.008 0.000 1.264 399 T HN -0.716 7.495 8.240 -0.006 0.026 0.532 400 A N -0.278 122.547 122.820 0.008 0.000 2.407 400 A HA 0.109 nan 4.320 nan 0.000 0.248 400 A C 0.138 177.729 177.584 0.011 0.000 1.082 400 A CA 0.464 52.509 52.037 0.014 0.000 0.785 400 A CB 0.020 19.030 19.000 0.017 0.000 1.020 400 A HN 0.112 8.265 8.150 0.006 0.000 0.489 401 N N -1.978 116.733 118.700 0.018 0.000 2.678 401 N HA -0.352 nan 4.740 nan 0.000 0.249 401 N C -1.260 174.248 175.510 -0.003 0.000 1.119 401 N CA 1.411 54.471 53.050 0.016 0.000 0.718 401 N CB -1.587 36.917 38.487 0.028 0.000 1.060 401 N HN 0.075 8.472 8.380 0.028 0.000 0.552 402 V N -9.443 110.457 119.914 -0.025 0.000 2.769 402 V HA 0.806 nan 4.120 nan 0.000 0.312 402 V C -1.806 174.224 176.094 -0.106 0.000 1.061 402 V CA -2.821 59.450 62.300 -0.049 0.000 0.931 402 V CB 3.667 35.469 31.823 -0.035 0.000 1.010 402 V HN -0.843 7.268 8.190 -0.019 0.068 0.433 403 I N 2.943 123.411 120.570 -0.169 0.000 2.693 403 I HA 0.431 nan 4.170 nan 0.000 0.303 403 I C -2.118 173.919 176.117 -0.134 0.000 1.025 403 I CA -2.107 59.057 61.300 -0.226 0.000 1.086 403 I CB 3.494 41.205 38.000 -0.483 0.000 1.268 403 I HN 0.619 8.629 8.210 -0.160 0.105 0.440 404 T N 7.448 121.950 114.554 -0.087 0.000 2.809 404 T HA 0.448 nan 4.350 nan 0.000 0.284 404 T C -1.245 173.450 174.700 -0.009 0.000 0.992 404 T CA -0.625 61.449 62.100 -0.043 0.000 0.957 404 T CB 1.573 70.413 68.868 -0.047 0.000 0.942 404 T HN 0.166 8.355 8.240 -0.084 0.000 0.439 405 T N 7.723 122.297 114.554 0.033 0.000 2.918 405 T HA 0.663 nan 4.350 nan 0.000 0.283 405 T C -1.763 172.971 174.700 0.056 0.000 1.001 405 T CA -1.933 60.231 62.100 0.108 0.000 1.041 405 T CB 1.099 70.083 68.868 0.193 0.000 1.028 405 T HN 0.627 8.890 8.240 0.037 0.000 0.511 406 L N 1.282 122.564 121.223 0.099 0.000 2.301 406 L HA 0.647 nan 4.340 nan 0.000 0.249 406 L C -1.473 175.498 176.870 0.168 0.000 1.069 406 L CA -1.292 53.554 54.840 0.010 0.000 0.865 406 L CB 3.799 45.862 42.059 0.006 0.000 1.467 406 L HN -0.287 7.945 8.230 0.184 0.108 0.419 407 I N -0.485 120.145 120.570 0.099 0.000 2.392 407 I HA 0.418 nan 4.170 nan 0.000 0.295 407 I C -1.802 174.309 176.117 -0.010 0.000 0.985 407 I CA -2.112 59.276 61.300 0.146 0.000 1.221 407 I CB 1.367 39.489 38.000 0.203 0.000 1.366 407 I HN 0.216 8.423 8.210 -0.005 0.000 0.467 408 K N 8.813 129.094 120.400 -0.198 0.000 2.545 408 K HA 0.392 nan 4.320 nan 0.000 0.252 408 K C -1.325 174.958 176.600 -0.529 0.000 0.948 408 K CA -1.664 54.395 56.287 -0.380 0.000 0.827 408 K CB 2.591 34.799 32.500 -0.486 0.000 1.128 408 K HN 0.841 8.837 8.250 -0.242 0.108 0.429 409 E N 5.642 125.650 120.200 -0.321 0.000 2.398 409 E HA 0.122 nan 4.350 nan 0.000 0.263 409 E C -1.030 175.248 176.600 -0.536 0.000 1.046 409 E CA 0.372 56.490 56.400 -0.470 0.000 0.908 409 E CB 0.500 29.984 29.700 -0.360 0.000 0.963 409 E HN 0.405 8.654 8.360 -0.185 0.000 0.431 410 S N 1.710 116.966 115.700 -0.741 0.000 2.727 410 S HA 0.342 nan 4.470 nan 0.000 0.278 410 S C -2.084 172.071 174.600 -0.742 0.000 1.186 410 S CA -0.881 56.885 58.200 -0.723 0.000 0.836 410 S CB 2.108 64.832 63.200 -0.795 0.000 1.186 410 S HN 0.425 8.228 8.310 -0.846 0.000 0.499 411 L N -0.572 120.421 121.223 -0.385 0.000 2.309 411 L HA 0.541 nan 4.340 nan 0.000 0.261 411 L C -1.761 175.219 176.870 0.183 0.000 1.021 411 L CA -1.159 53.629 54.840 -0.086 0.000 0.823 411 L CB 3.228 45.255 42.059 -0.054 0.000 1.366 411 L HN 0.338 8.400 8.230 -0.280 0.000 0.423 412 L N -0.011 121.324 121.223 0.186 0.000 2.543 412 L HA 0.274 nan 4.340 nan 0.000 0.265 412 L C -2.073 174.852 176.870 0.091 0.000 0.945 412 L CA -0.078 54.853 54.840 0.151 0.000 0.869 412 L CB 3.136 45.291 42.059 0.159 0.000 1.294 412 L HN -0.148 8.162 8.230 0.134 0.000 0.405 413 E N 6.525 126.765 120.200 0.066 0.000 1.941 413 E HA 0.209 nan 4.350 nan 0.000 0.275 413 E C 0.738 177.414 176.600 0.126 0.000 1.113 413 E CA -0.881 55.579 56.400 0.099 0.000 0.878 413 E CB -0.011 29.768 29.700 0.132 0.000 1.070 413 E HN 0.273 8.654 8.360 0.036 0.000 0.399 414 L N 6.163 127.447 121.223 0.101 0.000 2.083 414 L HA -0.382 nan 4.340 nan 0.000 0.209 414 L C 1.459 178.396 176.870 0.112 0.000 1.083 414 L CA 3.010 57.910 54.840 0.100 0.000 0.752 414 L CB -0.352 41.766 42.059 0.098 0.000 0.899 414 L HN 0.930 9.214 8.230 0.089 0.000 0.433 415 S N -0.680 115.093 115.700 0.122 0.000 2.434 415 S HA -0.506 nan 4.470 nan 0.000 0.250 415 S C 2.160 176.789 174.600 0.049 0.000 1.102 415 S CA 3.056 61.354 58.200 0.164 0.000 1.104 415 S CB -0.484 62.674 63.200 -0.070 0.000 0.957 415 S HN -0.214 8.157 8.310 0.102 0.000 0.456 416 H N -0.172 118.853 119.070 -0.075 0.000 2.326 416 H HA -0.165 nan 4.556 nan 0.000 0.301 416 H C 1.906 177.089 175.328 -0.242 0.000 1.081 416 H CA 2.983 58.849 56.048 -0.303 0.000 1.334 416 H CB 0.130 29.595 29.762 -0.495 0.000 1.385 416 H HN -0.835 7.494 8.280 0.134 0.032 0.504 417 G N -2.885 105.900 108.800 -0.024 0.000 2.404 417 G HA2 -0.138 nan 3.960 nan 0.000 0.214 417 G HA3 -0.138 nan 3.960 nan 0.000 0.214 417 G C -0.307 174.579 174.900 -0.024 0.000 1.189 417 G CA 0.875 45.936 45.100 -0.065 0.000 0.789 417 G HN -0.276 8.038 8.290 0.040 0.000 0.533 418 I N -3.622 116.974 120.570 0.044 0.000 3.076 418 I HA 0.443 nan 4.170 nan 0.000 0.313 418 I C -1.895 174.261 176.117 0.065 0.000 1.053 418 I CA -3.257 58.075 61.300 0.054 0.000 1.048 418 I CB 2.154 40.192 38.000 0.064 0.000 1.264 418 I HN -0.322 7.820 8.210 0.068 0.108 0.498 419 N N 1.590 120.282 118.700 -0.013 0.000 2.415 419 N HA -0.057 nan 4.740 nan 0.000 0.250 419 N C -0.027 175.406 175.510 -0.128 0.000 1.127 419 N CA -0.541 52.405 53.050 -0.174 0.000 0.945 419 N CB -0.669 37.672 38.487 -0.244 0.000 1.196 419 N HN -0.012 8.360 8.380 -0.014 0.000 0.499 420 F N 1.592 121.549 119.950 0.011 0.000 2.161 420 F HA -0.134 nan 4.527 nan 0.000 0.300 420 F C 1.414 177.205 175.800 -0.016 0.000 1.089 420 F CA 0.796 58.795 58.000 -0.001 0.000 1.282 420 F CB -0.193 38.804 39.000 -0.005 0.000 1.010 420 F HN -0.339 7.839 8.300 -0.203 0.000 0.485 421 G N -0.502 108.084 108.800 -0.356 0.000 3.548 421 G HA2 -0.551 nan 3.960 nan 0.000 0.224 421 G HA3 -0.551 nan 3.960 nan 0.000 0.224 421 G C 0.394 175.327 174.900 0.055 0.000 1.351 421 G CA 1.540 46.521 45.100 -0.199 0.000 0.905 421 G HN -0.238 7.516 8.290 -1.066 -0.103 0.561 422 T N 0.640 115.325 114.554 0.219 0.000 3.348 422 T HA 0.126 nan 4.350 nan 0.000 0.233 422 T C 0.252 175.112 174.700 0.266 0.000 0.960 422 T CA 0.216 62.446 62.100 0.217 0.000 1.343 422 T CB 0.930 69.867 68.868 0.115 0.000 1.068 422 T HN 0.202 8.496 8.240 0.190 0.060 0.410 423 D N 2.262 122.776 120.400 0.189 0.000 2.352 423 D HA -0.150 nan 4.640 nan 0.000 0.238 423 D C 0.406 176.592 176.300 -0.191 0.000 1.286 423 D CA 0.230 54.245 54.000 0.025 0.000 0.923 423 D CB 0.535 41.353 40.800 0.029 0.000 1.146 423 D HN -0.346 8.156 8.370 0.219 0.000 0.471 424 Q N -1.909 117.771 119.800 -0.199 0.000 2.016 424 Q HA -0.115 nan 4.340 nan 0.000 0.200 424 Q C 0.801 176.558 176.000 -0.406 0.000 0.978 424 Q CA 2.494 58.109 55.803 -0.313 0.000 0.833 424 Q CB 0.901 29.536 28.738 -0.171 0.000 0.895 424 Q HN -0.062 8.141 8.270 -0.112 0.000 0.427 425 S N -4.309 111.261 115.700 -0.217 0.000 2.543 425 S HA 0.349 nan 4.470 nan 0.000 0.273 425 S C -2.601 171.972 174.600 -0.045 0.000 1.152 425 S CA -0.388 57.729 58.200 -0.138 0.000 0.910 425 S CB 2.281 65.429 63.200 -0.088 0.000 1.105 425 S HN -0.698 7.632 8.310 -0.147 -0.108 0.465 426 V N 1.103 121.020 119.914 0.006 0.000 2.409 426 V HA 0.740 nan 4.120 nan 0.000 0.291 426 V C -1.631 174.492 176.094 0.048 0.000 1.020 426 V CA -2.736 59.589 62.300 0.042 0.000 0.848 426 V CB 1.428 33.299 31.823 0.079 0.000 0.990 426 V HN 0.795 8.991 8.190 0.009 0.000 0.430 427 K N 4.875 125.299 120.400 0.040 0.000 2.270 427 K HA 0.731 nan 4.320 nan 0.000 0.255 427 K C -2.076 174.558 176.600 0.057 0.000 0.936 427 K CA -2.528 53.785 56.287 0.043 0.000 0.809 427 K CB 2.963 35.473 32.500 0.015 0.000 1.131 427 K HN 0.656 8.825 8.250 0.034 0.101 0.427 428 V N 4.142 124.109 119.914 0.088 0.000 2.318 428 V HA 0.286 nan 4.120 nan 0.000 0.271 428 V C -1.503 174.660 176.094 0.114 0.000 1.030 428 V CA -2.425 59.944 62.300 0.115 0.000 0.844 428 V CB 0.690 32.604 31.823 0.152 0.000 1.015 428 V HN 0.072 8.322 8.190 0.101 0.000 0.460 429 K N 11.301 131.711 120.400 0.017 0.000 2.363 429 K HA 0.063 nan 4.320 nan 0.000 0.289 429 K C -1.011 175.521 176.600 -0.113 0.000 1.063 429 K CA 0.054 56.266 56.287 -0.125 0.000 0.967 429 K CB 0.041 32.463 32.500 -0.130 0.000 0.987 429 K HN 0.724 8.989 8.250 0.025 0.000 0.473 430 Y N 3.377 123.590 120.300 -0.144 0.000 2.618 430 Y HA 0.282 nan 4.550 nan 0.000 0.326 430 Y C -2.120 173.594 175.900 -0.310 0.000 1.168 430 Y CA -3.060 54.972 58.100 -0.113 0.000 1.269 430 Y CB 2.438 40.919 38.460 0.035 0.000 1.388 430 Y HN 0.248 8.035 8.280 -0.647 0.106 0.528 431 H N -0.695 118.491 119.070 0.194 0.000 2.609 431 H HA 0.447 nan 4.556 nan 0.000 0.344 431 H C -1.250 174.215 175.328 0.228 0.000 1.040 431 H CA -1.260 54.830 56.048 0.068 0.000 1.216 431 H CB 2.880 32.685 29.762 0.073 0.000 1.529 431 H HN -0.118 8.423 8.280 0.434 0.000 0.519 432 H N 1.494 120.698 119.070 0.224 0.000 2.797 432 H HA 0.375 nan 4.556 nan 0.000 0.372 432 H C -2.085 173.367 175.328 0.207 0.000 1.168 432 H CA -2.441 53.745 56.048 0.230 0.000 1.163 432 H CB 2.372 32.203 29.762 0.114 0.000 1.778 432 H HN 0.806 8.861 8.280 -0.179 0.118 0.551 433 L N 0.126 121.667 121.223 0.529 0.000 2.452 433 L HA 0.107 nan 4.340 nan 0.000 0.267 433 L C -1.061 176.121 176.870 0.520 0.000 1.188 433 L CA 0.828 55.921 54.840 0.422 0.000 0.821 433 L CB 1.288 43.524 42.059 0.296 0.000 1.102 433 L HN 0.372 8.951 8.230 0.582 0.000 0.470 434 D N 0.996 121.615 120.400 0.366 0.000 3.158 434 D HA 0.299 nan 4.640 nan 0.000 0.314 434 D C -2.153 174.264 176.300 0.195 0.000 1.308 434 D CA -1.995 52.167 54.000 0.271 0.000 1.001 434 D CB 2.827 43.730 40.800 0.172 0.000 1.389 434 D HN 0.366 8.929 8.370 0.321 0.000 0.595 435 H N -4.798 114.318 119.070 0.077 0.000 3.064 435 H HA 0.329 nan 4.556 nan 0.000 0.352 435 H C -1.685 173.604 175.328 -0.064 0.000 1.260 435 H CA -1.652 54.384 56.048 -0.020 0.000 1.160 435 H CB 2.771 32.492 29.762 -0.069 0.000 1.879 435 H HN -0.115 7.988 8.280 -0.296 0.000 0.544 436 E N 1.590 121.817 120.200 0.044 0.000 2.398 436 E HA 0.050 nan 4.350 nan 0.000 0.263 436 E C -1.296 175.378 176.600 0.124 0.000 1.046 436 E CA -1.633 54.782 56.400 0.024 0.000 0.908 436 E CB 0.762 30.464 29.700 0.003 0.000 0.963 436 E HN 0.229 8.489 8.360 0.035 0.121 0.431 437 P HA -0.008 nan 4.420 nan 0.000 0.271 437 P C -2.202 175.332 177.300 0.390 0.000 1.233 437 P CA 0.386 63.652 63.100 0.276 0.000 0.789 437 P CB 0.591 32.465 31.700 0.291 0.000 0.951 438 F N -5.857 114.129 119.950 0.059 0.000 2.807 438 F HA 0.366 nan 4.527 nan 0.000 0.316 438 F C -2.404 173.335 175.800 -0.101 0.000 1.162 438 F CA -2.310 55.659 58.000 -0.052 0.000 0.910 438 F CB 1.783 40.710 39.000 -0.123 0.000 1.314 438 F HN -0.285 8.224 8.300 0.348 0.000 0.454 439 T N -0.575 113.819 114.554 -0.268 0.000 2.916 439 T HA 0.617 nan 4.350 nan 0.000 0.292 439 T C -1.621 172.755 174.700 -0.540 0.000 1.055 439 T CA -1.593 60.252 62.100 -0.424 0.000 1.009 439 T CB 2.858 71.626 68.868 -0.167 0.000 1.118 439 T HN -0.150 8.066 8.240 -0.041 0.000 0.497 440 Y N 1.830 122.042 120.300 -0.147 0.000 2.313 440 Y HA 0.216 nan 4.550 nan 0.000 0.332 440 Y C -1.317 174.571 175.900 -0.020 0.000 1.071 440 Y CA -0.842 57.243 58.100 -0.025 0.000 1.169 440 Y CB 1.239 39.698 38.460 -0.001 0.000 1.192 440 Y HN 0.500 8.544 8.280 -0.219 0.105 0.487 441 N N 3.517 122.285 118.700 0.113 0.000 2.446 441 N HA 0.429 nan 4.740 nan 0.000 0.265 441 N C -2.211 173.365 175.510 0.111 0.000 0.975 441 N CA -0.805 52.291 53.050 0.078 0.000 0.928 441 N CB 2.513 41.027 38.487 0.045 0.000 1.160 441 N HN -0.091 8.356 8.380 0.112 0.000 0.495 442 I N 6.060 126.689 120.570 0.098 0.000 2.418 442 I HA 0.612 nan 4.170 nan 0.000 0.287 442 I C -2.554 173.605 176.117 0.070 0.000 1.008 442 I CA -1.946 59.415 61.300 0.102 0.000 1.104 442 I CB 3.002 41.075 38.000 0.122 0.000 1.264 442 I HN 0.469 8.720 8.210 0.068 0.000 0.438 443 V N 9.008 128.964 119.914 0.069 0.000 2.532 443 V HA 0.675 nan 4.120 nan 0.000 0.295 443 V C -1.555 174.574 176.094 0.059 0.000 1.041 443 V CA -1.615 60.719 62.300 0.057 0.000 0.926 443 V CB 1.327 33.179 31.823 0.048 0.000 0.992 443 V HN 0.799 8.925 8.190 0.076 0.110 0.457 444 V N 5.313 125.260 119.914 0.055 0.000 2.841 444 V HA 0.407 nan 4.120 nan 0.000 0.310 444 V C -2.046 174.066 176.094 0.031 0.000 1.090 444 V CA -1.218 61.112 62.300 0.050 0.000 0.930 444 V CB 4.326 36.191 31.823 0.069 0.000 1.014 444 V HN 0.885 9.019 8.190 0.052 0.088 0.425 445 E N 6.358 126.567 120.200 0.015 0.000 2.070 445 E HA 0.272 nan 4.350 nan 0.000 0.261 445 E C -1.358 175.227 176.600 -0.024 0.000 0.926 445 E CA -2.358 54.041 56.400 -0.001 0.000 0.760 445 E CB 1.256 30.955 29.700 -0.003 0.000 1.133 445 E HN 0.729 8.980 8.360 0.016 0.118 0.420 446 N N 8.216 126.899 118.700 -0.028 0.000 2.739 446 N HA 0.019 nan 4.740 nan 0.000 0.266 446 N C 0.729 176.203 175.510 -0.059 0.000 1.168 446 N CA -1.308 51.705 53.050 -0.061 0.000 1.055 446 N CB -0.352 38.102 38.487 -0.055 0.000 1.393 446 N HN 0.348 8.631 8.380 -0.011 0.090 0.514 447 N N 4.249 122.910 118.700 -0.065 0.000 2.192 447 N HA -0.339 nan 4.740 nan 0.000 0.188 447 N C -0.082 175.395 175.510 -0.054 0.000 1.013 447 N CA 2.359 55.377 53.050 -0.052 0.000 0.863 447 N CB -0.006 38.450 38.487 -0.052 0.000 0.990 447 N HN -0.239 8.065 8.380 -0.073 0.032 0.430 448 S N -0.615 115.041 115.700 -0.074 0.000 2.533 448 S HA 0.004 nan 4.470 nan 0.000 0.282 448 S C 1.061 175.629 174.600 -0.054 0.000 1.304 448 S CA 0.306 58.466 58.200 -0.067 0.000 1.063 448 S CB 0.359 63.505 63.200 -0.089 0.000 0.881 448 S HN -0.696 7.526 8.310 -0.096 0.031 0.493 449 G N 1.580 110.355 108.800 -0.040 0.000 2.479 449 G HA2 -0.242 nan 3.960 nan 0.000 0.220 449 G HA3 -0.242 nan 3.960 nan 0.000 0.220 449 G C -0.940 173.938 174.900 -0.036 0.000 1.115 449 G CA 0.851 45.931 45.100 -0.033 0.000 0.757 449 G HN 0.432 8.700 8.290 -0.037 0.000 0.560 450 A N -0.986 121.808 122.820 -0.043 0.000 2.310 450 A HA 0.129 nan 4.320 nan 0.000 0.299 450 A C -0.679 176.863 177.584 -0.071 0.000 1.147 450 A CA -1.572 50.437 52.037 -0.047 0.000 0.818 450 A CB 1.057 20.035 19.000 -0.037 0.000 1.096 450 A HN -0.667 7.419 8.150 -0.045 0.036 0.495 451 E N 1.148 121.297 120.200 -0.085 0.000 2.652 451 E HA -0.310 nan 4.350 nan 0.000 0.255 451 E C -1.026 175.463 176.600 -0.184 0.000 0.952 451 E CA 0.990 57.310 56.400 -0.133 0.000 0.947 451 E CB 0.084 29.683 29.700 -0.169 0.000 0.912 451 E HN 0.361 8.679 8.360 -0.069 0.000 0.489 452 K N 4.849 125.162 120.400 -0.144 0.000 2.185 452 K HA 0.234 nan 4.320 nan 0.000 0.269 452 K C -1.225 175.382 176.600 0.012 0.000 0.987 452 K CA -1.566 54.683 56.287 -0.063 0.000 0.865 452 K CB 1.763 34.231 32.500 -0.053 0.000 1.090 452 K HN 0.572 8.676 8.250 -0.106 0.082 0.450 453 H N 4.181 123.439 119.070 0.313 0.000 2.552 453 H HA 0.510 nan 4.556 nan 0.000 0.311 453 H C -0.296 175.314 175.328 0.470 0.000 1.071 453 H CA -1.008 55.295 56.048 0.425 0.000 1.307 453 H CB 1.125 31.175 29.762 0.480 0.000 1.416 453 H HN 0.469 8.909 8.280 0.267 0.000 0.464 454 S N 4.023 120.031 115.700 0.513 0.000 2.648 454 S HA 0.708 nan 4.470 nan 0.000 0.305 454 S C -0.711 173.995 174.600 0.176 0.000 1.094 454 S CA -1.711 56.628 58.200 0.231 0.000 0.983 454 S CB 2.037 65.361 63.200 0.207 0.000 1.101 454 S HN 0.690 9.287 8.310 0.477 0.000 0.514 455 T N 2.038 116.572 114.554 -0.032 0.000 2.791 455 T HA 0.372 nan 4.350 nan 0.000 0.288 455 T C -1.288 173.287 174.700 -0.209 0.000 0.999 455 T CA -0.476 61.601 62.100 -0.039 0.000 0.952 455 T CB 0.732 69.641 68.868 0.070 0.000 0.938 455 T HN 0.652 8.640 8.240 -0.227 0.115 0.444 456 V N 7.428 127.104 119.914 -0.397 0.000 2.318 456 V HA 0.374 nan 4.120 nan 0.000 0.271 456 V C -0.884 175.003 176.094 -0.345 0.000 1.030 456 V CA -1.094 60.912 62.300 -0.490 0.000 0.844 456 V CB -0.351 30.851 31.823 -1.035 0.000 1.015 456 V HN 1.049 8.834 8.190 -0.497 0.107 0.460 457 R N 7.536 127.962 120.500 -0.123 0.000 2.207 457 R HA 0.599 nan 4.340 nan 0.000 0.334 457 R C -1.062 175.260 176.300 0.038 0.000 1.013 457 R CA -1.062 55.026 56.100 -0.019 0.000 0.858 457 R CB 0.578 30.979 30.300 0.167 0.000 1.094 457 R HN 0.425 8.644 8.270 -0.085 0.000 0.457 458 I N 4.092 124.610 120.570 -0.086 0.000 2.493 458 I HA 0.637 nan 4.170 nan 0.000 0.298 458 I C -1.495 174.633 176.117 0.017 0.000 0.998 458 I CA -1.024 60.301 61.300 0.040 0.000 1.137 458 I CB 2.687 40.584 38.000 -0.171 0.000 1.310 458 I HN 0.763 8.760 8.210 -0.180 0.105 0.445 459 F N 4.468 124.587 119.950 0.280 0.000 2.593 459 F HA 0.789 nan 4.527 nan 0.000 0.320 459 F C -1.553 174.486 175.800 0.399 0.000 1.060 459 F CA -1.579 56.640 58.000 0.364 0.000 0.940 459 F CB 4.268 43.532 39.000 0.440 0.000 1.268 459 F HN 0.435 9.004 8.300 0.619 0.102 0.475 460 L N 1.258 122.813 121.223 0.554 0.000 2.406 460 L HA 0.671 nan 4.340 nan 0.000 0.272 460 L C -2.366 174.693 176.870 0.315 0.000 0.980 460 L CA -1.338 53.733 54.840 0.386 0.000 0.831 460 L CB 3.545 45.752 42.059 0.247 0.000 1.253 460 L HN 0.896 9.344 8.230 0.551 0.113 0.406 461 A N 5.983 128.896 122.820 0.154 0.000 2.483 461 A HA 0.841 nan 4.320 nan 0.000 0.286 461 A C -3.480 174.109 177.584 0.008 0.000 1.207 461 A CA -2.702 49.258 52.037 -0.128 0.000 0.764 461 A CB 1.986 20.486 19.000 -0.833 0.000 1.341 461 A HN 1.026 9.181 8.150 0.197 0.112 0.428 462 P HA 0.311 nan 4.420 nan 0.000 0.292 462 P C -1.452 175.628 177.300 -0.367 0.000 1.283 462 P CA -0.784 62.043 63.100 -0.454 0.000 0.835 462 P CB 1.282 32.660 31.700 -0.537 0.000 1.017 463 K N 1.203 121.374 120.400 -0.381 0.000 2.166 463 K HA -0.058 nan 4.320 nan 0.000 0.201 463 K C 0.545 176.904 176.600 -0.402 0.000 1.052 463 K CA 1.204 57.280 56.287 -0.352 0.000 0.969 463 K CB 0.896 33.186 32.500 -0.350 0.000 0.761 463 K HN -0.244 7.720 8.250 -0.477 0.000 0.459 464 Y N -1.969 118.175 120.300 -0.260 0.000 2.326 464 Y HA -0.156 nan 4.550 nan 0.000 0.333 464 Y C -0.384 175.395 175.900 -0.201 0.000 1.240 464 Y CA 1.920 59.895 58.100 -0.208 0.000 1.365 464 Y CB 0.729 39.062 38.460 -0.210 0.000 1.289 464 Y HN -0.869 7.234 8.280 -0.296 0.000 0.548 465 D N 1.021 121.457 120.400 0.059 0.000 2.511 465 D HA 0.125 nan 4.640 nan 0.000 0.276 465 D C -0.324 175.964 176.300 -0.021 0.000 1.220 465 D CA -0.870 53.120 54.000 -0.017 0.000 1.077 465 D CB 1.975 42.760 40.800 -0.024 0.000 1.126 465 D HN 0.157 8.484 8.370 0.119 0.114 0.583 466 E N -1.855 118.315 120.200 -0.051 0.000 2.476 466 E HA -0.056 nan 4.350 nan 0.000 0.191 466 E C -0.847 175.722 176.600 -0.053 0.000 1.064 466 E CA 1.416 57.777 56.400 -0.065 0.000 0.866 466 E CB -0.219 29.441 29.700 -0.066 0.000 0.952 466 E HN 0.330 8.659 8.360 -0.053 0.000 0.492 467 L N -2.471 118.732 121.223 -0.033 0.000 2.670 467 L HA 0.210 nan 4.340 nan 0.000 0.177 467 L C 0.542 177.407 176.870 -0.009 0.000 1.181 467 L CA 0.786 55.612 54.840 -0.024 0.000 0.856 467 L CB 0.463 42.510 42.059 -0.020 0.000 1.205 467 L HN -0.154 7.942 8.230 -0.023 0.119 0.506 468 N N -2.826 115.887 118.700 0.022 0.000 3.364 468 N HA 0.018 nan 4.740 nan 0.000 0.294 468 N C -2.125 173.466 175.510 0.135 0.000 1.562 468 N CA -0.865 52.227 53.050 0.071 0.000 0.862 468 N CB 1.746 40.258 38.487 0.040 0.000 1.691 468 N HN -0.589 7.802 8.380 0.018 0.000 0.572 469 N N -0.437 118.361 118.700 0.163 0.000 2.406 469 N HA -0.128 nan 4.740 nan 0.000 0.269 469 N C -1.484 173.982 175.510 -0.074 0.000 1.210 469 N CA 0.892 53.934 53.050 -0.014 0.000 0.966 469 N CB 0.042 38.424 38.487 -0.175 0.000 1.293 469 N HN 0.218 8.705 8.380 0.179 0.000 0.491 470 K N 3.561 123.914 120.400 -0.079 0.000 2.616 470 K HA 0.265 nan 4.320 nan 0.000 0.241 470 K C -0.347 176.198 176.600 -0.092 0.000 0.961 470 K CA -1.412 54.831 56.287 -0.073 0.000 0.942 470 K CB 1.198 33.672 32.500 -0.044 0.000 1.153 470 K HN -0.289 7.920 8.250 -0.067 0.000 0.452 471 L N 6.426 127.593 121.223 -0.094 0.000 2.930 471 L HA -0.002 nan 4.340 nan 0.000 0.250 471 L C -0.796 176.041 176.870 -0.055 0.000 1.320 471 L CA -0.856 53.929 54.840 -0.092 0.000 1.163 471 L CB -1.726 40.282 42.059 -0.085 0.000 1.542 471 L HN 0.818 8.997 8.230 -0.086 0.000 0.428 472 E N 1.563 121.728 120.200 -0.058 0.000 2.081 472 E HA 0.005 nan 4.350 nan 0.000 0.270 472 E C -1.313 175.258 176.600 -0.049 0.000 1.180 472 E CA -1.198 55.178 56.400 -0.040 0.000 0.926 472 E CB -0.652 29.025 29.700 -0.039 0.000 1.035 472 E HN -0.242 7.968 8.360 -0.069 0.109 0.418 473 P HA -0.127 nan 4.420 nan 0.000 0.222 473 P C 0.733 178.030 177.300 -0.006 0.000 1.153 473 P CA 2.431 65.533 63.100 0.003 0.000 0.798 473 P CB 0.292 32.005 31.700 0.022 0.000 0.796 474 D N -0.367 120.016 120.400 -0.029 0.000 2.097 474 D HA -0.324 nan 4.640 nan 0.000 0.197 474 D C 1.409 177.710 176.300 0.001 0.000 0.984 474 D CA 3.365 57.357 54.000 -0.013 0.000 0.826 474 D CB -0.439 40.350 40.800 -0.019 0.000 0.973 474 D HN 0.337 8.687 8.370 -0.034 0.000 0.460 475 E N -1.728 118.460 120.200 -0.020 0.000 2.085 475 E HA -0.350 nan 4.350 nan 0.000 0.194 475 E C 2.472 179.040 176.600 -0.054 0.000 0.994 475 E CA 2.991 59.372 56.400 -0.032 0.000 0.801 475 E CB -0.164 29.507 29.700 -0.049 0.000 0.743 475 E HN 0.110 8.454 8.360 -0.026 0.000 0.453 476 Q N -1.435 118.304 119.800 -0.102 0.000 2.291 476 Q HA -0.245 nan 4.340 nan 0.000 0.205 476 Q C 2.257 178.196 176.000 -0.102 0.000 0.970 476 Q CA 2.567 58.224 55.803 -0.244 0.000 0.876 476 Q CB -0.249 28.195 28.738 -0.490 0.000 0.935 476 Q HN 0.116 8.152 8.270 -0.091 0.179 0.455 477 R N -1.441 119.146 120.500 0.146 0.000 2.200 477 R HA -0.268 nan 4.340 nan 0.000 0.234 477 R C 1.713 178.142 176.300 0.215 0.000 1.127 477 R CA 2.612 58.891 56.100 0.298 0.000 0.989 477 R CB -0.489 29.935 30.300 0.207 0.000 0.869 477 R HN -0.208 8.002 8.270 0.094 0.116 0.459 478 R N -2.926 117.642 120.500 0.114 0.000 2.148 478 R HA -0.092 nan 4.340 nan 0.000 0.223 478 R C 1.177 177.521 176.300 0.073 0.000 1.088 478 R CA 1.290 57.449 56.100 0.098 0.000 0.985 478 R CB -0.135 30.205 30.300 0.066 0.000 0.880 478 R HN -0.656 7.619 8.270 0.069 0.036 0.451 479 L N -1.462 119.775 121.223 0.023 0.000 2.316 479 L HA 0.062 nan 4.340 nan 0.000 0.207 479 L C 0.803 177.703 176.870 0.050 0.000 1.070 479 L CA 0.737 55.566 54.840 -0.018 0.000 0.820 479 L CB 0.114 42.095 42.059 -0.129 0.000 0.992 479 L HN -0.349 7.703 8.230 -0.007 0.173 0.466 480 F N -0.648 119.310 119.950 0.014 0.000 2.512 480 F HA -0.303 nan 4.527 nan 0.000 0.406 480 F C 0.249 176.203 175.800 0.258 0.000 0.990 480 F CA 2.572 60.624 58.000 0.087 0.000 1.137 480 F CB -0.248 38.690 39.000 -0.104 0.000 0.960 480 F HN -0.212 8.099 8.300 0.018 0.000 0.533 481 I N -0.376 120.523 120.570 0.548 0.000 2.465 481 I HA 0.405 nan 4.170 nan 0.000 0.291 481 I C -1.645 174.632 176.117 0.267 0.000 1.014 481 I CA -2.163 59.346 61.300 0.348 0.000 1.093 481 I CB 3.319 41.421 38.000 0.170 0.000 1.267 481 I HN 0.741 9.175 8.210 0.564 0.114 0.431 482 E N 6.654 126.860 120.200 0.009 0.000 2.217 482 E HA -0.032 nan 4.350 nan 0.000 0.279 482 E C -1.122 175.396 176.600 -0.136 0.000 1.068 482 E CA 0.364 56.484 56.400 -0.467 0.000 0.882 482 E CB 0.482 29.970 29.700 -0.353 0.000 1.039 482 E HN 0.049 8.792 8.360 0.160 -0.287 0.418 483 L N 5.891 127.053 121.223 -0.101 0.000 2.375 483 L HA 0.107 nan 4.340 nan 0.000 0.215 483 L C -0.454 176.412 176.870 -0.008 0.000 1.108 483 L CA 0.528 55.390 54.840 0.037 0.000 0.830 483 L CB 0.589 42.772 42.059 0.205 0.000 0.959 483 L HN 0.765 8.782 8.230 -0.170 0.111 0.457 484 D N -3.897 116.455 120.400 -0.079 0.000 2.683 484 D HA 0.155 nan 4.640 nan 0.000 0.246 484 D C -2.920 173.365 176.300 -0.024 0.000 1.238 484 D CA -0.479 53.508 54.000 -0.023 0.000 0.759 484 D CB 2.573 43.366 40.800 -0.012 0.000 1.349 484 D HN -0.835 7.438 8.370 -0.161 0.000 0.426 485 K N 2.520 122.964 120.400 0.074 0.000 2.651 485 K HA 0.528 nan 4.320 nan 0.000 0.259 485 K C -2.142 174.547 176.600 0.147 0.000 1.017 485 K CA -0.156 56.151 56.287 0.032 0.000 0.897 485 K CB 1.833 34.340 32.500 0.011 0.000 1.262 485 K HN 0.177 8.512 8.250 0.141 0.000 0.460 486 F N 1.090 121.023 119.950 -0.029 0.000 2.675 486 F HA 0.440 nan 4.527 nan 0.000 0.324 486 F C -2.404 173.428 175.800 0.053 0.000 1.106 486 F CA -2.479 55.520 58.000 -0.002 0.000 0.970 486 F CB 2.915 41.895 39.000 -0.032 0.000 1.385 486 F HN 0.010 8.079 8.300 -0.386 0.000 0.489 487 F N -0.228 119.758 119.950 0.060 0.000 2.436 487 F HA 0.434 nan 4.527 nan 0.000 0.340 487 F C -2.274 173.662 175.800 0.226 0.000 1.113 487 F CA -1.694 56.219 58.000 -0.144 0.000 1.022 487 F CB 2.197 40.804 39.000 -0.655 0.000 1.128 487 F HN -0.044 8.489 8.300 0.388 0.000 0.466 488 Y N 7.210 127.340 120.300 -0.283 0.000 2.638 488 Y HA 0.236 nan 4.550 nan 0.000 0.339 488 Y C -2.271 173.449 175.900 -0.299 0.000 1.084 488 Y CA -1.275 56.609 58.100 -0.361 0.000 1.068 488 Y CB 4.725 43.206 38.460 0.036 0.000 1.294 488 Y HN -0.214 8.159 8.280 0.154 0.000 0.480 489 T N 3.929 118.114 114.554 -0.615 0.000 2.841 489 T HA 0.591 nan 4.350 nan 0.000 0.283 489 T C -1.585 172.941 174.700 -0.291 0.000 1.000 489 T CA -0.645 61.277 62.100 -0.296 0.000 0.977 489 T CB 1.230 69.964 68.868 -0.223 0.000 0.979 489 T HN -0.003 7.435 8.240 -1.336 0.000 0.446 490 L N 5.895 127.063 121.223 -0.092 0.000 2.372 490 L HA 0.431 nan 4.340 nan 0.000 0.273 490 L C -0.495 176.347 176.870 -0.048 0.000 0.989 490 L CA -1.022 53.821 54.840 0.005 0.000 0.841 490 L CB 2.215 44.329 42.059 0.092 0.000 1.225 490 L HN 0.836 8.899 8.230 -0.111 0.100 0.414 491 T N 2.506 117.036 114.554 -0.040 0.000 2.748 491 T HA 0.214 nan 4.350 nan 0.000 0.304 491 T C -0.948 173.734 174.700 -0.030 0.000 1.041 491 T CA -2.131 59.943 62.100 -0.043 0.000 1.033 491 T CB -1.086 67.763 68.868 -0.031 0.000 0.995 491 T HN 0.131 8.560 8.240 -0.012 -0.196 0.536 492 P HA -0.292 nan 4.420 nan 0.000 0.268 492 P C -0.699 176.592 177.300 -0.015 0.000 1.208 492 P CA 0.554 63.636 63.100 -0.029 0.000 0.777 492 P CB 0.119 31.803 31.700 -0.028 0.000 0.875 493 G N 2.283 111.074 108.800 -0.015 0.000 2.542 493 G HA2 -0.419 nan 3.960 nan 0.000 0.235 493 G HA3 -0.419 nan 3.960 nan 0.000 0.235 493 G C -1.474 173.429 174.900 0.005 0.000 1.286 493 G CA -0.373 44.723 45.100 -0.006 0.000 0.904 493 G HN -0.069 8.104 8.290 -0.024 0.103 0.577 494 K N 2.984 123.391 120.400 0.012 0.000 2.419 494 K HA -0.172 nan 4.320 nan 0.000 0.282 494 K C -0.819 175.801 176.600 0.034 0.000 1.056 494 K CA 1.039 57.339 56.287 0.022 0.000 1.035 494 K CB -0.225 32.287 32.500 0.020 0.000 0.921 494 K HN 0.116 8.371 8.250 0.008 0.000 0.472 495 N N 5.487 124.215 118.700 0.048 0.000 2.269 495 N HA 0.304 nan 4.740 nan 0.000 0.304 495 N C -1.685 173.868 175.510 0.071 0.000 1.072 495 N CA -0.514 52.581 53.050 0.075 0.000 0.802 495 N CB 4.252 42.803 38.487 0.107 0.000 1.348 495 N HN 0.549 8.853 8.380 0.044 0.102 0.484 496 T N -2.441 112.158 114.554 0.075 0.000 2.841 496 T HA 0.659 nan 4.350 nan 0.000 0.283 496 T C -1.228 173.481 174.700 0.015 0.000 1.000 496 T CA -1.620 60.508 62.100 0.047 0.000 0.977 496 T CB 1.818 70.707 68.868 0.036 0.000 0.979 496 T HN 0.294 8.588 8.240 0.091 0.000 0.446 497 I N 2.026 122.559 120.570 -0.061 0.000 2.530 497 I HA 0.549 nan 4.170 nan 0.000 0.297 497 I C -1.543 174.495 176.117 -0.130 0.000 1.011 497 I CA -1.388 59.755 61.300 -0.263 0.000 1.107 497 I CB 3.367 41.163 38.000 -0.341 0.000 1.285 497 I HN 0.409 8.611 8.210 -0.013 0.000 0.436 498 V N 5.064 124.880 119.914 -0.164 0.000 2.588 498 V HA 0.595 nan 4.120 nan 0.000 0.304 498 V C -1.475 174.527 176.094 -0.153 0.000 1.042 498 V CA -1.351 60.894 62.300 -0.091 0.000 0.877 498 V CB 1.794 33.579 31.823 -0.064 0.000 0.996 498 V HN 0.118 8.158 8.190 -0.250 0.000 0.425 499 R N 7.297 127.736 120.500 -0.100 0.000 2.510 499 R HA 0.344 nan 4.340 nan 0.000 0.294 499 R C -1.887 174.336 176.300 -0.128 0.000 1.056 499 R CA -1.762 54.232 56.100 -0.177 0.000 0.918 499 R CB 2.954 33.105 30.300 -0.249 0.000 1.187 499 R HN 0.331 8.585 8.270 -0.028 0.000 0.437 500 N N 6.426 125.016 118.700 -0.184 0.000 2.518 500 N HA 0.143 nan 4.740 nan 0.000 0.283 500 N C 0.777 176.157 175.510 -0.218 0.000 1.119 500 N CA -0.429 52.503 53.050 -0.197 0.000 0.983 500 N CB 0.882 39.285 38.487 -0.140 0.000 1.139 500 N HN 0.461 8.721 8.380 -0.201 0.000 0.465 501 H N 3.449 122.336 119.070 -0.304 0.000 2.375 501 H HA -0.539 nan 4.556 nan 0.000 0.289 501 H C 1.780 177.110 175.328 0.003 0.000 1.121 501 H CA 4.294 60.233 56.048 -0.181 0.000 1.207 501 H CB -0.052 29.754 29.762 0.074 0.000 1.355 501 H HN 0.629 8.774 8.280 -0.225 0.000 0.486 502 Q N -1.449 117.937 119.800 -0.690 0.000 2.124 502 Q HA -0.265 nan 4.340 nan 0.000 0.202 502 Q C 0.960 176.828 176.000 -0.221 0.000 0.977 502 Q CA 2.410 57.852 55.803 -0.601 0.000 0.850 502 Q CB -0.751 27.754 28.738 -0.389 0.000 0.901 502 Q HN 0.336 8.259 8.270 -0.475 0.063 0.429 503 D N -3.133 117.157 120.400 -0.184 0.000 2.344 503 D HA 0.151 nan 4.640 nan 0.000 0.242 503 D C -0.246 176.003 176.300 -0.084 0.000 1.159 503 D CA -0.666 53.259 54.000 -0.124 0.000 0.859 503 D CB -0.468 40.237 40.800 -0.159 0.000 0.925 503 D HN -0.676 7.535 8.370 -0.222 0.026 0.510 504 S N 0.518 116.196 115.700 -0.038 0.000 2.544 504 S HA -0.180 nan 4.470 nan 0.000 0.290 504 S C 0.621 175.211 174.600 -0.017 0.000 1.276 504 S CA 1.224 59.427 58.200 0.005 0.000 1.075 504 S CB 0.314 63.557 63.200 0.071 0.000 0.849 504 S HN -0.761 7.425 8.310 -0.044 0.097 0.494 505 S N 8.377 124.063 115.700 -0.023 0.000 2.727 505 S HA -0.080 nan 4.470 nan 0.000 0.226 505 S C -0.040 174.510 174.600 -0.083 0.000 0.963 505 S CA 2.270 60.453 58.200 -0.029 0.000 0.950 505 S CB -0.262 62.939 63.200 0.002 0.000 0.779 505 S HN 0.398 8.852 8.310 -0.007 -0.149 0.532 506 V N -7.064 112.742 119.914 -0.180 0.000 3.635 506 V HA 0.383 nan 4.120 nan 0.000 0.266 506 V C -0.976 175.046 176.094 -0.120 0.000 1.316 506 V CA -0.161 61.889 62.300 -0.417 0.000 1.060 506 V CB 0.677 31.859 31.823 -1.069 0.000 0.820 506 V HN -0.729 7.284 8.190 -0.121 0.104 0.447 507 T N -1.083 113.473 114.554 0.003 0.000 2.928 507 T HA 0.489 nan 4.350 nan 0.000 0.284 507 T C -0.841 173.923 174.700 0.107 0.000 1.008 507 T CA -2.062 60.102 62.100 0.107 0.000 1.057 507 T CB 1.444 70.389 68.868 0.129 0.000 1.018 507 T HN -0.711 7.518 8.240 -0.017 0.000 0.493 508 I N 3.391 124.037 120.570 0.127 0.000 2.474 508 I HA -0.069 nan 4.170 nan 0.000 0.287 508 I C -0.848 175.313 176.117 0.073 0.000 1.048 508 I CA -1.164 60.188 61.300 0.086 0.000 1.383 508 I CB 1.467 39.523 38.000 0.094 0.000 1.412 508 I HN 0.056 8.358 8.210 0.153 0.000 0.531 509 S N 8.047 123.767 115.700 0.033 0.000 2.289 509 S HA -0.016 nan 4.470 nan 0.000 0.193 509 S C 0.291 174.902 174.600 0.018 0.000 1.002 509 S CA 1.184 59.402 58.200 0.030 0.000 0.951 509 S CB 0.630 63.829 63.200 -0.002 0.000 0.920 509 S HN -0.148 8.337 8.310 0.012 -0.168 0.502 510 K N 2.630 123.015 120.400 -0.025 0.000 2.262 510 K HA 0.099 nan 4.320 nan 0.000 0.282 510 K C -0.624 175.935 176.600 -0.069 0.000 1.066 510 K CA -1.205 55.060 56.287 -0.037 0.000 0.901 510 K CB 0.220 32.688 32.500 -0.053 0.000 1.089 510 K HN -0.189 8.034 8.250 -0.045 0.000 0.476 511 V N 4.961 124.864 119.914 -0.020 0.000 3.185 511 V HA 0.104 nan 4.120 nan 0.000 0.305 511 V C -0.655 175.424 176.094 -0.024 0.000 1.090 511 V CA -0.625 61.665 62.300 -0.017 0.000 1.107 511 V CB 0.970 32.812 31.823 0.032 0.000 1.061 511 V HN -0.060 8.139 8.190 0.014 0.000 0.480 512 R N 5.232 125.726 120.500 -0.009 0.000 2.473 512 R HA 0.272 nan 4.340 nan 0.000 0.303 512 R C -1.096 175.222 176.300 0.029 0.000 1.002 512 R CA -1.304 54.812 56.100 0.027 0.000 0.884 512 R CB 2.166 32.523 30.300 0.096 0.000 1.173 512 R HN -0.085 8.183 8.270 -0.003 0.000 0.464 513 T N 4.279 118.848 114.554 0.024 0.000 2.898 513 T HA 0.245 nan 4.350 nan 0.000 0.301 513 T C 0.999 175.719 174.700 0.034 0.000 1.049 513 T CA -0.907 61.202 62.100 0.014 0.000 1.095 513 T CB 1.392 70.258 68.868 -0.004 0.000 0.976 513 T HN 0.226 8.481 8.240 0.025 0.000 0.539 514 F N 5.536 125.379 119.950 -0.177 0.000 2.141 514 F HA -0.454 nan 4.527 nan 0.000 0.300 514 F C 1.213 176.970 175.800 -0.072 0.000 1.079 514 F CA 4.064 61.966 58.000 -0.163 0.000 1.264 514 F CB 0.310 39.093 39.000 -0.360 0.000 1.011 514 F HN 0.397 9.069 8.300 0.068 -0.331 0.487 515 D N -2.727 117.779 120.400 0.176 0.000 2.117 515 D HA -0.260 nan 4.640 nan 0.000 0.198 515 D C 2.637 178.993 176.300 0.093 0.000 0.982 515 D CA 3.174 57.274 54.000 0.166 0.000 0.828 515 D CB -0.618 40.254 40.800 0.120 0.000 0.967 515 D HN -0.623 7.757 8.370 0.072 0.034 0.464 516 Q N -0.874 118.959 119.800 0.055 0.000 2.061 516 Q HA -0.281 nan 4.340 nan 0.000 0.204 516 Q C 2.962 178.968 176.000 0.010 0.000 0.984 516 Q CA 2.807 58.631 55.803 0.035 0.000 0.846 516 Q CB -0.012 28.750 28.738 0.040 0.000 0.902 516 Q HN -0.531 7.771 8.270 0.053 0.000 0.421 517 L N -1.157 120.052 121.223 -0.024 0.000 2.191 517 L HA -0.233 nan 4.340 nan 0.000 0.212 517 L C 2.011 178.837 176.870 -0.074 0.000 1.103 517 L CA 1.952 56.734 54.840 -0.096 0.000 0.769 517 L CB -0.705 41.221 42.059 -0.222 0.000 0.908 517 L HN -0.487 7.658 8.230 -0.016 0.076 0.438 518 G N -2.599 106.201 108.800 0.000 0.000 2.498 518 G HA2 -0.260 nan 3.960 nan 0.000 0.219 518 G HA3 -0.260 nan 3.960 nan 0.000 0.219 518 G C -0.573 174.340 174.900 0.021 0.000 1.119 518 G CA 0.838 45.964 45.100 0.043 0.000 0.766 518 G HN -0.209 8.020 8.290 0.038 0.083 0.552 519 A N 0.674 123.498 122.820 0.007 0.000 2.453 519 A HA 0.474 nan 4.320 nan 0.000 0.225 519 A C -0.746 176.821 177.584 -0.029 0.000 2.127 519 A CA -0.076 51.959 52.037 -0.003 0.000 0.864 519 A CB 1.388 20.392 19.000 0.006 0.000 1.440 519 A HN -0.242 7.738 8.150 0.008 0.175 0.566 520 G N -1.615 107.163 108.800 -0.035 0.000 2.897 520 G HA2 -0.182 nan 3.960 nan 0.000 0.392 520 G HA3 -0.182 nan 3.960 nan 0.000 0.392 520 G C -1.810 173.062 174.900 -0.046 0.000 1.263 520 G CA -0.105 44.956 45.100 -0.065 0.000 1.185 520 G HN -0.350 7.929 8.290 -0.019 0.000 0.573 521 E N 3.479 123.658 120.200 -0.036 0.000 2.819 521 E HA 0.416 nan 4.350 nan 0.000 0.241 521 E C -0.145 176.450 176.600 -0.009 0.000 0.987 521 E CA -0.998 55.404 56.400 0.002 0.000 1.024 521 E CB 1.837 31.572 29.700 0.060 0.000 1.448 521 E HN 0.176 8.502 8.360 -0.058 0.000 0.484 522 G N 0.240 109.058 108.800 0.030 0.000 3.191 522 G HA2 0.193 nan 3.960 nan 0.000 0.309 522 G HA3 0.193 nan 3.960 nan 0.000 0.309 522 G C -1.472 173.468 174.900 0.067 0.000 1.596 522 G CA 0.003 45.117 45.100 0.024 0.000 0.955 522 G HN 0.100 8.417 8.290 0.046 0.000 0.508 523 V N 2.104 122.106 119.914 0.147 0.000 2.599 523 V HA -0.029 nan 4.120 nan 0.000 0.237 523 V C -0.144 176.016 176.094 0.110 0.000 1.081 523 V CA 1.527 63.908 62.300 0.135 0.000 1.107 523 V CB 0.477 32.401 31.823 0.169 0.000 0.808 523 V HN 0.349 8.663 8.190 0.207 0.000 0.486 524 S N 0.261 116.062 115.700 0.169 0.000 4.261 524 S HA -0.038 nan 4.470 nan 0.000 0.262 524 S C -1.699 172.885 174.600 -0.027 0.000 1.063 524 S CA -0.430 57.802 58.200 0.053 0.000 1.355 524 S CB 1.094 64.317 63.200 0.039 0.000 1.629 524 S HN -0.455 8.066 8.310 0.353 0.000 0.658 525 E N 2.031 122.168 120.200 -0.105 0.000 2.649 525 E HA 0.234 nan 4.350 nan 0.000 0.310 525 E C -1.843 174.634 176.600 -0.205 0.000 1.036 525 E CA 0.420 56.655 56.400 -0.275 0.000 0.772 525 E CB 1.966 31.530 29.700 -0.226 0.000 1.513 525 E HN -0.033 8.298 8.360 -0.049 0.000 0.384 526 D N 2.503 122.793 120.400 -0.182 0.000 2.887 526 D HA 0.464 nan 4.640 nan 0.000 0.221 526 D C -0.399 175.845 176.300 -0.093 0.000 1.276 526 D CA -1.137 52.817 54.000 -0.077 0.000 1.078 526 D CB 3.344 44.160 40.800 0.026 0.000 1.217 526 D HN -0.047 8.149 8.370 -0.290 0.000 0.631 527 S N -1.609 114.067 115.700 -0.040 0.000 4.057 527 S HA 0.200 nan 4.470 nan 0.000 0.197 527 S C 1.229 175.779 174.600 -0.084 0.000 1.154 527 S CA 0.389 58.536 58.200 -0.087 0.000 1.556 527 S CB 0.692 63.804 63.200 -0.146 0.000 1.405 527 S HN -0.130 8.166 8.310 -0.022 0.000 0.786 528 T N 2.804 117.264 114.554 -0.157 0.000 3.113 528 T HA -0.059 nan 4.350 nan 0.000 0.263 528 T C 0.136 174.681 174.700 -0.257 0.000 1.143 528 T CA 3.208 65.181 62.100 -0.211 0.000 1.090 528 T CB -0.784 67.973 68.868 -0.185 0.000 0.922 528 T HN 0.408 8.530 8.240 -0.197 0.000 0.521 529 E N 0.318 120.437 120.200 -0.134 0.000 2.431 529 E HA -0.028 nan 4.350 nan 0.000 0.200 529 E C 0.965 177.552 176.600 -0.020 0.000 0.995 529 E CA 0.074 56.439 56.400 -0.059 0.000 0.915 529 E CB -0.343 29.339 29.700 -0.030 0.000 0.930 529 E HN -0.389 7.869 8.360 -0.127 0.026 0.496 530 Y N 3.584 123.833 120.300 -0.086 0.000 2.219 530 Y HA -0.476 nan 4.550 nan 0.000 0.283 530 Y C -0.863 175.022 175.900 -0.026 0.000 1.191 530 Y CA 3.076 61.140 58.100 -0.060 0.000 1.199 530 Y CB 0.113 38.522 38.460 -0.086 0.000 0.972 530 Y HN -0.289 7.919 8.280 0.097 0.130 0.527 531 C N -9.257 109.819 119.300 -0.373 0.000 3.628 531 C HA 0.309 nan 4.460 nan 0.000 0.335 531 C C -1.054 173.889 174.990 -0.079 0.000 2.721 531 C CA -2.161 56.659 59.018 -0.331 0.000 1.484 531 C CB -0.954 26.505 27.740 -0.468 0.000 2.796 531 C HN -0.044 8.031 8.230 -0.137 0.073 0.449 532 S N -0.051 115.645 115.700 -0.008 0.000 2.490 532 S HA 0.219 nan 4.470 nan 0.000 0.280 532 S C -0.648 174.104 174.600 0.255 0.000 1.048 532 S CA 1.025 59.290 58.200 0.107 0.000 1.263 532 S CB 1.477 64.615 63.200 -0.103 0.000 1.053 532 S HN 0.200 8.426 8.310 -0.028 0.068 0.538 533 C N -0.387 119.028 119.300 0.192 0.000 2.478 533 C HA 0.254 nan 4.460 nan 0.000 0.379 533 C C -0.140 175.107 174.990 0.429 0.000 1.470 533 C CA 0.582 59.807 59.018 0.345 0.000 2.066 533 C CB 1.626 29.516 27.740 0.250 0.000 2.001 533 C HN -0.427 7.743 8.230 0.093 0.116 0.550 534 G N -1.202 107.982 108.800 0.640 0.000 2.697 534 G HA2 -0.249 nan 3.960 nan 0.000 0.686 534 G HA3 -0.249 nan 3.960 nan 0.000 0.686 534 G C -1.708 173.377 174.900 0.307 0.000 1.179 534 G CA -0.622 44.724 45.100 0.411 0.000 0.765 534 G HN -0.091 8.717 8.290 0.863 0.000 0.649 535 W N 1.941 123.221 121.300 -0.033 0.000 2.190 535 W HA 0.036 nan 4.660 nan 0.000 0.330 535 W C -1.325 175.208 176.519 0.022 0.000 1.299 535 W CA -1.815 55.498 57.345 -0.054 0.000 1.215 535 W CB 1.200 30.749 29.460 0.148 0.000 1.147 535 W HN 0.696 9.037 8.180 0.399 0.078 0.563 536 P HA -0.128 nan 4.420 nan 0.000 0.268 536 P C -0.419 176.854 177.300 -0.046 0.000 1.208 536 P CA 0.034 63.021 63.100 -0.188 0.000 0.777 536 P CB 0.550 31.982 31.700 -0.446 0.000 0.875 537 E N 3.974 124.219 120.200 0.075 0.000 2.016 537 E HA -0.388 nan 4.350 nan 0.000 0.190 537 E C 1.144 177.933 176.600 0.314 0.000 0.985 537 E CA 3.378 59.930 56.400 0.254 0.000 0.802 537 E CB -0.129 29.738 29.700 0.279 0.000 0.762 537 E HN 0.645 9.052 8.360 0.079 0.000 0.448 538 H N -3.462 115.687 119.070 0.132 0.000 2.520 538 H HA -0.175 nan 4.556 nan 0.000 0.295 538 H C 0.190 175.697 175.328 0.298 0.000 1.096 538 H CA 2.118 58.248 56.048 0.137 0.000 1.249 538 H CB -1.058 28.679 29.762 -0.042 0.000 1.365 538 H HN 0.243 8.727 8.280 0.341 0.000 0.556 539 M N -2.262 117.399 119.600 0.102 0.000 2.475 539 M HA 0.193 nan 4.480 nan 0.000 0.283 539 M C -0.161 176.391 176.300 0.419 0.000 1.165 539 M CA -2.639 52.838 55.300 0.294 0.000 0.976 539 M CB -0.752 32.001 32.600 0.255 0.000 1.428 539 M HN -0.737 7.443 8.290 -0.082 0.060 0.495 540 L N 1.195 122.634 121.223 0.359 0.000 2.131 540 L HA -0.187 nan 4.340 nan 0.000 0.210 540 L C -1.118 175.798 176.870 0.078 0.000 1.092 540 L CA 2.805 57.796 54.840 0.251 0.000 0.759 540 L CB 0.487 42.672 42.059 0.210 0.000 0.903 540 L HN -0.151 8.144 8.230 0.407 0.179 0.435 541 I N -3.597 116.945 120.570 -0.047 0.000 2.478 541 I HA 0.209 nan 4.170 nan 0.000 0.287 541 I C -2.600 173.470 176.117 -0.077 0.000 1.042 541 I CA -3.325 57.887 61.300 -0.146 0.000 1.067 541 I CB 1.862 39.638 38.000 -0.373 0.000 1.233 541 I HN -0.544 7.660 8.210 0.025 0.020 0.431 542 P HA 0.005 nan 4.420 nan 0.000 0.270 542 P C -1.408 175.822 177.300 -0.116 0.000 1.221 542 P CA -0.232 62.822 63.100 -0.076 0.000 0.788 542 P CB 0.682 32.320 31.700 -0.104 0.000 0.904 543 R N 1.433 121.885 120.500 -0.080 0.000 2.127 543 R HA -0.377 nan 4.340 nan 0.000 0.238 543 R C 0.811 177.085 176.300 -0.044 0.000 1.134 543 R CA 1.892 57.912 56.100 -0.134 0.000 0.975 543 R CB 0.458 30.495 30.300 -0.438 0.000 0.865 543 R HN 0.233 8.836 8.270 -0.031 -0.351 0.447 544 G N -2.152 106.653 108.800 0.008 0.000 2.561 544 G HA2 -0.432 nan 3.960 nan 0.000 0.289 544 G HA3 -0.432 nan 3.960 nan 0.000 0.289 544 G C -0.713 174.260 174.900 0.121 0.000 1.169 544 G CA 0.353 45.552 45.100 0.165 0.000 0.980 544 G HN -0.637 7.624 8.290 0.011 0.036 0.550 545 S N -0.723 115.055 115.700 0.129 0.000 2.625 545 S HA 0.241 nan 4.470 nan 0.000 0.271 545 S C -0.123 174.572 174.600 0.159 0.000 1.161 545 S CA -0.866 57.404 58.200 0.116 0.000 0.820 545 S CB 2.431 65.675 63.200 0.073 0.000 1.137 545 S HN -0.449 7.943 8.310 0.137 0.000 0.470 546 H N 4.000 123.134 119.070 0.107 0.000 2.423 546 H HA -0.173 nan 4.556 nan 0.000 0.297 546 H C -0.412 174.950 175.328 0.056 0.000 1.075 546 H CA 2.363 58.470 56.048 0.099 0.000 1.342 546 H CB 0.325 30.139 29.762 0.087 0.000 1.395 546 H HN 0.662 9.083 8.280 0.236 0.000 0.530 547 K N -5.179 115.170 120.400 -0.086 0.000 2.147 547 K HA -0.187 nan 4.320 nan 0.000 0.205 547 K C 0.399 176.947 176.600 -0.086 0.000 1.049 547 K CA 0.469 56.695 56.287 -0.102 0.000 0.936 547 K CB -0.109 32.369 32.500 -0.036 0.000 0.722 547 K HN -0.216 8.028 8.250 0.026 0.021 0.446 548 G N 0.837 109.616 108.800 -0.034 0.000 3.055 548 G HA2 -0.289 nan 3.960 nan 0.000 0.654 548 G HA3 -0.289 nan 3.960 nan 0.000 0.654 548 G C -1.400 173.553 174.900 0.087 0.000 1.134 548 G CA -0.599 44.513 45.100 0.020 0.000 1.049 548 G HN -0.587 7.519 8.290 -0.019 0.173 0.458 549 M N 2.571 122.273 119.600 0.169 0.000 2.283 549 M HA 0.150 nan 4.480 nan 0.000 0.314 549 M C -2.081 174.446 176.300 0.378 0.000 1.153 549 M CA -0.465 54.983 55.300 0.247 0.000 1.084 549 M CB 3.175 35.962 32.600 0.311 0.000 1.468 549 M HN 0.201 8.597 8.290 0.177 0.000 0.474 550 E N 0.667 121.034 120.200 0.278 0.000 2.224 550 E HA 0.706 nan 4.350 nan 0.000 0.265 550 E C -1.445 175.146 176.600 -0.015 0.000 0.878 550 E CA -1.143 55.377 56.400 0.199 0.000 0.759 550 E CB 2.612 32.397 29.700 0.141 0.000 1.164 550 E HN 0.143 8.594 8.360 0.151 0.000 0.414 551 F N 4.519 124.454 119.950 -0.026 0.000 2.814 551 F HA 0.702 nan 4.527 nan 0.000 0.353 551 F C -1.337 174.435 175.800 -0.047 0.000 1.177 551 F CA -1.332 56.644 58.000 -0.040 0.000 1.036 551 F CB 5.007 43.996 39.000 -0.017 0.000 1.455 551 F HN 0.820 9.275 8.300 0.258 0.000 0.520 552 E N -0.394 119.922 120.200 0.194 0.000 2.265 552 E HA 0.351 nan 4.350 nan 0.000 0.262 552 E C -2.024 174.724 176.600 0.247 0.000 0.889 552 E CA -1.345 55.127 56.400 0.120 0.000 0.789 552 E CB 3.575 33.273 29.700 -0.002 0.000 1.221 552 E HN 0.532 8.982 8.360 0.289 0.084 0.414 553 L N 8.397 129.775 121.223 0.258 0.000 2.287 553 L HA 0.372 nan 4.340 nan 0.000 0.280 553 L C -2.183 174.946 176.870 0.432 0.000 1.055 553 L CA -0.760 54.301 54.840 0.367 0.000 0.863 553 L CB 0.988 43.257 42.059 0.351 0.000 1.245 553 L HN 0.070 8.413 8.230 0.188 0.000 0.432 554 F N 8.949 129.145 119.950 0.411 0.000 2.411 554 F HA 0.512 nan 4.527 nan 0.000 0.352 554 F C -1.817 174.234 175.800 0.418 0.000 1.123 554 F CA -2.803 55.436 58.000 0.399 0.000 1.044 554 F CB 2.048 41.327 39.000 0.466 0.000 1.135 554 F HN 0.388 9.009 8.300 0.740 0.123 0.461 555 V N 8.129 128.458 119.914 0.693 0.000 2.630 555 V HA 0.643 nan 4.120 nan 0.000 0.305 555 V C -2.067 174.205 176.094 0.296 0.000 1.046 555 V CA -1.849 60.687 62.300 0.393 0.000 0.934 555 V CB 2.607 34.578 31.823 0.246 0.000 1.003 555 V HN 0.974 9.495 8.190 0.743 0.115 0.451 556 M N 3.590 123.275 119.600 0.141 0.000 2.530 556 M HA 0.738 nan 4.480 nan 0.000 0.307 556 M C -2.236 174.055 176.300 -0.013 0.000 1.161 556 M CA -1.494 53.819 55.300 0.021 0.000 0.903 556 M CB 4.433 36.965 32.600 -0.113 0.000 1.711 556 M HN 0.671 9.049 8.290 0.146 0.000 0.451 557 L N 5.217 126.435 121.223 -0.008 0.000 2.316 557 L HA 0.592 nan 4.340 nan 0.000 0.280 557 L C -1.758 174.945 176.870 -0.278 0.000 1.006 557 L CA -0.653 54.137 54.840 -0.084 0.000 0.836 557 L CB 0.875 43.014 42.059 0.133 0.000 1.221 557 L HN 0.564 8.821 8.230 0.046 0.000 0.418 558 T N 4.807 119.105 114.554 -0.428 0.000 2.937 558 T HA 0.372 nan 4.350 nan 0.000 0.283 558 T C -1.523 172.595 174.700 -0.970 0.000 1.012 558 T CA -1.651 60.107 62.100 -0.570 0.000 0.997 558 T CB 2.006 70.745 68.868 -0.214 0.000 1.136 558 T HN 0.481 8.551 8.240 -0.283 0.000 0.551 559 D N 0.381 120.337 120.400 -0.738 0.000 2.255 559 D HA 0.233 nan 4.640 nan 0.000 0.249 559 D C 0.154 176.342 176.300 -0.187 0.000 1.078 559 D CA -0.543 53.173 54.000 -0.473 0.000 0.896 559 D CB 1.799 42.569 40.800 -0.050 0.000 1.194 559 D HN 0.309 8.412 8.370 -0.445 0.000 0.429 560 H N 5.487 124.512 119.070 -0.075 0.000 2.448 560 H HA -0.092 nan 4.556 nan 0.000 0.292 560 H C 2.055 177.290 175.328 -0.155 0.000 1.035 560 H CA 3.111 59.102 56.048 -0.096 0.000 1.349 560 H CB 0.950 30.693 29.762 -0.031 0.000 1.425 560 H HN 0.344 8.646 8.280 0.182 0.087 0.539 561 D N -1.154 119.165 120.400 -0.136 0.000 2.183 561 D HA -0.180 nan 4.640 nan 0.000 0.203 561 D C 1.312 177.502 176.300 -0.183 0.000 0.969 561 D CA 3.049 56.945 54.000 -0.174 0.000 0.842 561 D CB -0.261 40.517 40.800 -0.037 0.000 0.957 561 D HN -0.036 8.615 8.370 0.052 -0.249 0.484 562 E N 0.118 120.229 120.200 -0.148 0.000 2.006 562 E HA -0.265 nan 4.350 nan 0.000 0.192 562 E C 1.143 177.601 176.600 -0.237 0.000 0.993 562 E CA 2.452 58.756 56.400 -0.159 0.000 0.808 562 E CB 0.404 30.026 29.700 -0.130 0.000 0.764 562 E HN -0.767 7.751 8.360 -0.091 -0.213 0.449 563 D N -3.125 117.095 120.400 -0.300 0.000 2.178 563 D HA -0.062 nan 4.640 nan 0.000 0.201 563 D C 0.650 176.717 176.300 -0.388 0.000 0.980 563 D CA 1.797 55.602 54.000 -0.324 0.000 0.842 563 D CB 0.564 41.193 40.800 -0.285 0.000 0.948 563 D HN -0.255 7.831 8.370 -0.287 0.111 0.472 564 T N 0.866 115.067 114.554 -0.588 0.000 2.814 564 T HA -0.003 nan 4.350 nan 0.000 0.297 564 T C 0.500 175.033 174.700 -0.279 0.000 0.956 564 T CA 0.480 62.280 62.100 -0.501 0.000 1.123 564 T CB 0.425 68.914 68.868 -0.630 0.000 0.902 564 T HN -0.400 7.348 8.240 -0.669 0.091 0.528 565 V N 4.127 123.927 119.914 -0.191 0.000 2.694 565 V HA -0.031 nan 4.120 nan 0.000 0.306 565 V C -0.766 175.255 176.094 -0.122 0.000 1.054 565 V CA -0.441 61.782 62.300 -0.128 0.000 1.161 565 V CB 0.246 32.020 31.823 -0.083 0.000 0.916 565 V HN -0.303 7.776 8.190 -0.184 0.000 0.490 566 A N 4.791 127.552 122.820 -0.099 0.000 2.303 566 A HA 0.461 nan 4.320 nan 0.000 0.317 566 A C -0.630 176.919 177.584 -0.058 0.000 1.149 566 A CA -0.204 51.782 52.037 -0.084 0.000 0.822 566 A CB 1.095 20.047 19.000 -0.079 0.000 1.131 566 A HN 0.311 8.406 8.150 -0.091 0.000 0.493 567 G N -0.046 108.725 108.800 -0.050 0.000 2.313 567 G HA2 0.013 nan 3.960 nan 0.000 0.296 567 G HA3 0.013 nan 3.960 nan 0.000 0.296 567 G C -2.279 172.602 174.900 -0.031 0.000 1.356 567 G CA -0.099 44.980 45.100 -0.035 0.000 0.833 567 G HN -0.085 8.173 8.290 -0.054 0.000 0.552 568 L N 0.509 121.719 121.223 -0.022 0.000 2.406 568 L HA 0.410 nan 4.340 nan 0.000 0.270 568 L C -0.504 176.358 176.870 -0.014 0.000 0.982 568 L CA 0.280 55.109 54.840 -0.019 0.000 0.843 568 L CB 1.391 43.440 42.059 -0.016 0.000 1.225 568 L HN 0.277 8.496 8.230 -0.018 0.000 0.412 569 S N 3.749 119.440 115.700 -0.015 0.000 3.576 569 S HA 0.164 nan 4.470 nan 0.000 0.179 569 S C -0.933 173.660 174.600 -0.011 0.000 0.977 569 S CA -0.579 57.614 58.200 -0.012 0.000 1.189 569 S CB 0.841 64.033 63.200 -0.012 0.000 1.443 569 S HN 0.547 8.846 8.310 -0.018 0.000 0.874 570 E N 0.423 120.617 120.200 -0.011 0.000 2.446 570 E HA 0.208 nan 4.350 nan 0.000 0.269 570 E C -1.666 174.929 176.600 -0.007 0.000 0.977 570 E CA -0.302 56.092 56.400 -0.009 0.000 0.854 570 E CB 1.478 31.173 29.700 -0.008 0.000 1.545 570 E HN 0.046 8.399 8.360 -0.012 0.000 0.448 571 N N -0.305 118.392 118.700 -0.005 0.000 2.250 571 N HA -0.134 nan 4.740 nan 0.000 0.256 571 N C -1.421 174.090 175.510 0.001 0.000 1.302 571 N CA 0.075 53.123 53.050 -0.002 0.000 0.894 571 N CB 0.356 38.841 38.487 -0.002 0.000 1.067 571 N HN 0.015 8.391 8.380 -0.007 0.000 0.487 572 A N -1.861 120.962 122.820 0.004 0.000 2.404 572 A HA 0.046 nan 4.320 nan 0.000 0.273 572 A C -1.401 176.188 177.584 0.007 0.000 1.144 572 A CA 0.230 52.271 52.037 0.007 0.000 0.806 572 A CB 0.457 19.461 19.000 0.008 0.000 1.080 572 A HN 0.012 8.164 8.150 0.004 0.000 0.509 573 V N 4.004 123.923 119.914 0.008 0.000 5.000 573 V HA 0.246 nan 4.120 nan 0.000 0.311 573 V C -0.609 175.494 176.094 0.016 0.000 1.608 573 V CA -0.709 61.599 62.300 0.015 0.000 0.814 573 V CB 1.958 33.788 31.823 0.011 0.000 1.241 573 V HN -0.145 8.049 8.190 0.007 0.000 0.451 574 C N 3.363 122.676 119.300 0.022 0.000 3.424 574 C HA 0.213 nan 4.460 nan 0.000 0.577 574 C C -0.031 174.972 174.990 0.022 0.000 1.086 574 C CA -0.346 58.683 59.018 0.020 0.000 1.153 574 C CB -3.211 24.544 27.740 0.027 0.000 1.411 574 C HN 0.475 8.720 8.230 0.025 0.000 0.636 575 S N 3.135 118.846 115.700 0.017 0.000 2.559 575 S HA 0.122 nan 4.470 nan 0.000 0.226 575 S C 0.608 175.222 174.600 0.023 0.000 1.000 575 S CA 1.078 59.290 58.200 0.019 0.000 0.948 575 S CB 1.055 64.258 63.200 0.006 0.000 0.870 575 S HN 0.248 8.481 8.310 0.012 0.084 0.497 576 D N 3.226 123.639 120.400 0.021 0.000 2.103 576 D HA -0.262 nan 4.640 nan 0.000 0.190 576 D C 0.460 176.780 176.300 0.033 0.000 0.997 576 D CA 2.956 56.965 54.000 0.016 0.000 0.833 576 D CB -0.246 40.558 40.800 0.007 0.000 0.961 576 D HN 0.016 8.340 8.370 0.017 0.057 0.447 577 A N -0.792 122.070 122.820 0.071 0.000 2.728 577 A HA 0.090 nan 4.320 nan 0.000 0.258 577 A C 1.268 178.932 177.584 0.134 0.000 1.454 577 A CA -0.188 51.912 52.037 0.104 0.000 1.146 577 A CB -1.295 17.820 19.000 0.192 0.000 0.985 577 A HN -0.154 8.042 8.150 0.076 0.000 0.603 578 V N -2.278 117.684 119.914 0.080 0.000 2.380 578 V HA -0.441 nan 4.120 nan 0.000 0.251 578 V C 1.354 177.557 176.094 0.182 0.000 1.063 578 V CA 2.714 65.056 62.300 0.070 0.000 1.055 578 V CB -1.233 30.554 31.823 -0.060 0.000 0.657 578 V HN 0.215 8.356 8.190 0.044 0.075 0.455 579 S N 2.877 118.698 115.700 0.202 0.000 2.363 579 S HA -0.258 nan 4.470 nan 0.000 0.218 579 S C 1.622 176.624 174.600 0.670 0.000 1.035 579 S CA 3.170 61.626 58.200 0.426 0.000 1.043 579 S CB 0.071 63.361 63.200 0.149 0.000 0.986 579 S HN 0.161 8.422 8.310 0.084 0.099 0.423 580 Y N -2.646 117.864 120.300 0.350 0.000 2.583 580 Y HA 0.038 nan 4.550 nan 0.000 0.293 580 Y C 0.063 176.270 175.900 0.511 0.000 1.157 580 Y CA -0.121 58.162 58.100 0.305 0.000 1.315 580 Y CB -0.266 38.258 38.460 0.107 0.000 1.021 580 Y HN 0.075 8.508 8.280 0.255 0.000 0.536 581 C N -4.783 114.927 119.300 0.684 0.000 3.217 581 C HA 0.350 nan 4.460 nan 0.000 0.220 581 C C -0.202 175.081 174.990 0.489 0.000 2.519 581 C CA -0.323 59.090 59.018 0.658 0.000 1.255 581 C CB 3.201 31.290 27.740 0.581 0.000 1.291 581 C HN -0.626 7.860 8.230 0.602 0.106 0.714 582 G N 0.200 109.214 108.800 0.357 0.000 2.240 582 G HA2 -0.084 nan 3.960 nan 0.000 0.199 582 G HA3 -0.084 nan 3.960 nan 0.000 0.199 582 G C -2.650 172.330 174.900 0.134 0.000 1.342 582 G CA -0.095 45.159 45.100 0.257 0.000 1.145 582 G HN 0.115 8.596 8.290 0.319 0.000 0.477 583 A N -0.332 122.543 122.820 0.091 0.000 2.609 583 A HA 0.215 nan 4.320 nan 0.000 0.291 583 A C -1.740 175.857 177.584 0.022 0.000 1.096 583 A CA -0.739 51.322 52.037 0.040 0.000 0.684 583 A CB 2.506 21.515 19.000 0.015 0.000 1.282 583 A HN 0.061 8.278 8.150 0.111 0.000 0.412 584 R N -0.336 120.165 120.500 0.002 0.000 2.407 584 R HA 0.113 nan 4.340 nan 0.000 0.303 584 R C -0.668 175.625 176.300 -0.012 0.000 0.981 584 R CA 0.054 56.144 56.100 -0.016 0.000 0.905 584 R CB 0.768 31.050 30.300 -0.031 0.000 1.099 584 R HN 0.461 8.733 8.270 0.004 0.000 0.459 585 D N 0.443 120.833 120.400 -0.017 0.000 2.713 585 D HA -0.313 nan 4.640 nan 0.000 0.231 585 D C -1.482 174.817 176.300 -0.001 0.000 1.173 585 D CA 1.509 55.503 54.000 -0.010 0.000 0.628 585 D CB -0.431 40.365 40.800 -0.006 0.000 1.033 585 D HN 0.259 8.610 8.370 -0.031 0.000 0.419 586 D N -2.074 118.330 120.400 0.006 0.000 2.732 586 D HA 0.241 nan 4.640 nan 0.000 0.292 586 D C -1.619 174.698 176.300 0.028 0.000 1.135 586 D CA -1.550 52.455 54.000 0.009 0.000 1.071 586 D CB 2.471 43.270 40.800 -0.001 0.000 1.457 586 D HN -0.451 7.911 8.370 0.010 0.014 0.547 587 R N -0.294 120.222 120.500 0.027 0.000 2.719 587 R HA 0.233 nan 4.340 nan 0.000 0.233 587 R C -0.670 175.679 176.300 0.082 0.000 1.257 587 R CA -1.575 54.562 56.100 0.061 0.000 1.109 587 R CB 1.859 32.185 30.300 0.043 0.000 1.447 587 R HN 0.206 8.480 8.270 0.006 0.000 0.537 588 Y N 2.120 122.431 120.300 0.018 0.000 2.637 588 Y HA 0.102 nan 4.550 nan 0.000 0.350 588 Y C -1.310 174.582 175.900 -0.012 0.000 1.069 588 Y CA -1.209 56.901 58.100 0.016 0.000 1.397 588 Y CB 0.421 38.887 38.460 0.009 0.000 1.163 588 Y HN 0.153 8.570 8.280 0.228 0.000 0.527 589 P HA -0.278 nan 4.420 nan 0.000 0.227 589 P C -1.629 175.568 177.300 -0.171 0.000 1.145 589 P CA 1.393 64.363 63.100 -0.217 0.000 0.769 589 P CB -0.106 31.462 31.700 -0.221 0.000 0.769 590 D N -3.529 116.785 120.400 -0.143 0.000 2.391 590 D HA 0.192 nan 4.640 nan 0.000 0.245 590 D C -0.512 175.794 176.300 0.010 0.000 1.069 590 D CA -2.266 51.698 54.000 -0.060 0.000 0.831 590 D CB 2.580 43.389 40.800 0.015 0.000 1.204 590 D HN -0.523 7.668 8.370 -0.106 0.116 0.503 591 K N 6.339 126.675 120.400 -0.108 0.000 2.059 591 K HA -0.347 nan 4.320 nan 0.000 0.212 591 K C 0.620 177.116 176.600 -0.174 0.000 1.050 591 K CA 1.936 58.137 56.287 -0.144 0.000 0.927 591 K CB 0.265 32.641 32.500 -0.208 0.000 0.714 591 K HN -0.070 8.086 8.250 -0.157 0.000 0.447 592 K N -2.335 117.907 120.400 -0.263 0.000 2.168 592 K HA -0.022 nan 4.320 nan 0.000 0.258 592 K C -0.089 176.390 176.600 -0.202 0.000 1.010 592 K CA -0.477 55.576 56.287 -0.390 0.000 0.929 592 K CB 0.579 32.526 32.500 -0.922 0.000 0.998 592 K HN -0.618 7.767 8.250 -0.236 -0.277 0.479 593 A N 2.171 124.900 122.820 -0.152 0.000 2.540 593 A HA -0.061 nan 4.320 nan 0.000 0.239 593 A C -0.130 177.383 177.584 -0.119 0.000 1.061 593 A CA 0.429 52.417 52.037 -0.083 0.000 0.758 593 A CB 0.480 19.516 19.000 0.059 0.000 0.991 593 A HN 0.438 8.485 8.150 -0.171 0.000 0.502 594 M N 3.472 122.845 119.600 -0.379 0.000 2.427 594 M HA -0.281 nan 4.480 nan 0.000 0.345 594 M C 0.867 176.875 176.300 -0.487 0.000 1.653 594 M CA 1.957 56.785 55.300 -0.786 0.000 1.138 594 M CB -0.569 31.075 32.600 -1.594 0.000 1.995 594 M HN 0.427 8.479 8.290 -0.397 0.000 0.459 595 G N 1.380 110.149 108.800 -0.052 0.000 3.134 595 G HA2 -0.192 nan 3.960 nan 0.000 0.195 595 G HA3 -0.192 nan 3.960 nan 0.000 0.195 595 G C -0.676 174.407 174.900 0.304 0.000 1.054 595 G CA -0.533 44.756 45.100 0.315 0.000 0.828 595 G HN -0.052 8.228 8.290 -0.017 0.000 0.462 596 F N 5.390 125.357 119.950 0.028 0.000 2.548 596 F HA -0.147 nan 4.527 nan 0.000 0.403 596 F C -1.786 173.847 175.800 -0.279 0.000 1.004 596 F CA -0.264 57.644 58.000 -0.153 0.000 1.177 596 F CB 0.835 39.734 39.000 -0.169 0.000 0.974 596 F HN -0.323 8.146 8.300 0.281 0.000 0.541 597 P HA -0.199 nan 4.420 nan 0.000 0.223 597 P C 0.041 176.787 177.300 -0.924 0.000 1.151 597 P CA 2.014 64.101 63.100 -1.688 0.000 0.787 597 P CB 0.145 30.784 31.700 -1.768 0.000 0.788 598 F N -2.303 117.392 119.950 -0.425 0.000 2.757 598 F HA 0.046 nan 4.527 nan 0.000 0.292 598 F C -0.061 175.717 175.800 -0.035 0.000 1.204 598 F CA -0.958 56.834 58.000 -0.347 0.000 1.417 598 F CB -1.968 36.607 39.000 -0.708 0.000 1.001 598 F HN 0.133 7.799 8.300 -0.832 0.135 0.508 599 D N 0.298 120.811 120.400 0.188 0.000 2.137 599 D HA -0.159 nan 4.640 nan 0.000 0.202 599 D C 0.591 177.004 176.300 0.189 0.000 0.970 599 D CA 2.436 56.595 54.000 0.265 0.000 0.837 599 D CB 0.247 41.240 40.800 0.323 0.000 0.981 599 D HN -0.081 8.269 8.370 0.141 0.105 0.475 600 R N -1.416 119.172 120.500 0.148 0.000 2.719 600 R HA 0.169 nan 4.340 nan 0.000 0.233 600 R C -1.318 174.980 176.300 -0.003 0.000 1.257 600 R CA -1.109 55.005 56.100 0.024 0.000 1.109 600 R CB 1.700 31.918 30.300 -0.137 0.000 1.447 600 R HN -0.888 7.520 8.270 0.231 0.000 0.537 601 K N -0.246 120.131 120.400 -0.039 0.000 2.401 601 K HA -0.129 nan 4.320 nan 0.000 0.278 601 K C -0.153 176.434 176.600 -0.022 0.000 1.018 601 K CA 0.885 57.155 56.287 -0.028 0.000 0.981 601 K CB 0.135 32.615 32.500 -0.033 0.000 0.933 601 K HN 0.183 8.395 8.250 -0.063 0.000 0.477 602 I N 6.626 127.171 120.570 -0.041 0.000 2.389 602 I HA -0.008 nan 4.170 nan 0.000 0.288 602 I C -0.958 175.159 176.117 -0.000 0.000 0.999 602 I CA -0.673 60.595 61.300 -0.053 0.000 1.129 602 I CB 1.068 38.928 38.000 -0.234 0.000 1.288 602 I HN 0.309 8.832 8.210 -0.040 -0.336 0.444 603 E N 6.213 126.442 120.200 0.047 0.000 2.435 603 E HA -0.098 nan 4.350 nan 0.000 0.195 603 E C -0.480 176.154 176.600 0.056 0.000 1.029 603 E CA 0.349 56.778 56.400 0.049 0.000 0.865 603 E CB 0.260 29.998 29.700 0.063 0.000 0.833 603 E HN 0.422 8.828 8.360 0.078 0.000 0.510 604 A N -2.206 120.659 122.820 0.076 0.000 2.316 604 A HA 0.250 nan 4.320 nan 0.000 0.284 604 A C -0.086 177.532 177.584 0.057 0.000 1.115 604 A CA -0.239 51.852 52.037 0.090 0.000 0.812 604 A CB 0.793 19.892 19.000 0.165 0.000 1.064 604 A HN -0.445 7.680 8.150 0.079 0.073 0.489 605 R N -0.960 119.570 120.500 0.051 0.000 2.334 605 R HA 0.050 nan 4.340 nan 0.000 0.216 605 R C -0.406 175.911 176.300 0.029 0.000 0.905 605 R CA 0.134 56.251 56.100 0.029 0.000 1.064 605 R CB 0.629 30.940 30.300 0.018 0.000 1.046 605 R HN -0.177 8.466 8.270 0.057 -0.339 0.508 606 T N -2.137 112.451 114.554 0.056 0.000 2.900 606 T HA 0.323 nan 4.350 nan 0.000 0.295 606 T C -0.767 174.011 174.700 0.130 0.000 1.044 606 T CA -1.735 60.400 62.100 0.059 0.000 0.995 606 T CB 2.748 71.636 68.868 0.033 0.000 1.072 606 T HN -0.797 7.690 8.240 0.075 -0.203 0.473 607 A N 7.644 130.547 122.820 0.139 0.000 2.084 607 A HA -0.221 nan 4.320 nan 0.000 0.221 607 A C 0.572 178.306 177.584 0.250 0.000 1.161 607 A CA 2.875 55.086 52.037 0.290 0.000 0.653 607 A CB -0.215 18.926 19.000 0.234 0.000 0.802 607 A HN 0.570 8.766 8.150 0.077 0.000 0.457 608 A N -2.372 120.514 122.820 0.111 0.000 1.929 608 A HA -0.201 nan 4.320 nan 0.000 0.216 608 A C 2.386 180.057 177.584 0.145 0.000 1.176 608 A CA 2.270 54.355 52.037 0.079 0.000 0.628 608 A CB 0.145 19.161 19.000 0.026 0.000 0.816 608 A HN -0.287 7.873 8.150 0.072 0.033 0.444 609 E N -0.146 120.155 120.200 0.169 0.000 2.153 609 E HA -0.321 nan 4.350 nan 0.000 0.194 609 E C 1.751 178.498 176.600 0.245 0.000 0.988 609 E CA 2.346 58.849 56.400 0.172 0.000 0.811 609 E CB -0.139 29.656 29.700 0.158 0.000 0.746 609 E HN -0.458 7.888 8.360 0.160 0.110 0.466 610 F N -2.654 117.389 119.950 0.156 0.000 2.699 610 F HA -0.171 nan 4.527 nan 0.000 0.298 610 F C -0.542 175.386 175.800 0.214 0.000 1.154 610 F CA 0.588 58.698 58.000 0.185 0.000 1.457 610 F CB 0.753 39.911 39.000 0.264 0.000 1.106 610 F HN -0.943 7.618 8.300 0.464 0.018 0.585 611 L N 1.118 122.492 121.223 0.252 0.000 2.530 611 L HA -0.152 nan 4.340 nan 0.000 0.273 611 L C -0.913 175.976 176.870 0.031 0.000 1.141 611 L CA 0.133 55.077 54.840 0.174 0.000 0.905 611 L CB 0.314 42.451 42.059 0.130 0.000 1.202 611 L HN -0.705 7.489 8.230 0.262 0.193 0.473 612 T N 3.570 118.107 114.554 -0.028 0.000 2.902 612 T HA 0.483 nan 4.350 nan 0.000 0.280 612 T C -0.679 174.037 174.700 0.026 0.000 0.992 612 T CA -2.937 59.142 62.100 -0.035 0.000 1.015 612 T CB -0.088 68.722 68.868 -0.096 0.000 1.044 612 T HN -0.418 7.784 8.240 -0.064 0.000 0.520 613 P HA -0.046 nan 4.420 nan 0.000 0.236 613 P C -0.989 176.349 177.300 0.064 0.000 1.172 613 P CA 1.545 64.669 63.100 0.039 0.000 0.759 613 P CB -0.401 31.311 31.700 0.019 0.000 0.843 614 N N -6.260 112.488 118.700 0.080 0.000 2.328 614 N HA 0.097 nan 4.740 nan 0.000 0.247 614 N C -1.800 173.778 175.510 0.114 0.000 1.165 614 N CA -1.020 52.106 53.050 0.127 0.000 0.873 614 N CB 0.132 38.746 38.487 0.212 0.000 1.125 614 N HN 0.194 8.534 8.380 0.056 0.074 0.513 615 M N -0.775 118.909 119.600 0.141 0.000 2.619 615 M HA 0.529 nan 4.480 nan 0.000 0.297 615 M C -1.462 175.019 176.300 0.303 0.000 1.229 615 M CA -0.355 55.107 55.300 0.270 0.000 0.860 615 M CB 5.334 38.145 32.600 0.351 0.000 1.741 615 M HN -0.006 8.208 8.290 0.123 0.150 0.462 616 G N 0.208 109.248 108.800 0.399 0.000 2.635 616 G HA2 0.222 nan 3.960 nan 0.000 0.295 616 G HA3 0.222 nan 3.960 nan 0.000 0.295 616 G C -3.003 171.935 174.900 0.063 0.000 1.359 616 G CA 0.403 45.598 45.100 0.159 0.000 1.232 616 G HN 0.233 8.931 8.290 0.679 0.000 0.597 617 L N 3.373 124.457 121.223 -0.232 0.000 2.292 617 L HA 0.578 nan 4.340 nan 0.000 0.284 617 L C -0.633 176.214 176.870 -0.037 0.000 1.065 617 L CA -0.407 54.283 54.840 -0.250 0.000 0.806 617 L CB 1.189 42.997 42.059 -0.418 0.000 1.175 617 L HN 0.264 8.349 8.230 -0.242 0.000 0.431 618 T N 6.321 120.912 114.554 0.062 0.000 2.892 618 T HA 0.283 nan 4.350 nan 0.000 0.311 618 T C -1.303 173.445 174.700 0.081 0.000 1.033 618 T CA -0.661 61.489 62.100 0.083 0.000 0.991 618 T CB 0.902 69.858 68.868 0.147 0.000 0.981 618 T HN 0.446 8.639 8.240 0.115 0.116 0.457 619 D N 6.183 126.605 120.400 0.036 0.000 2.371 619 D HA 0.044 nan 4.640 nan 0.000 0.256 619 D C -0.726 175.607 176.300 0.055 0.000 1.193 619 D CA -0.167 53.852 54.000 0.031 0.000 0.881 619 D CB 0.273 41.061 40.800 -0.021 0.000 1.143 619 D HN 0.212 8.593 8.370 0.018 0.000 0.473 620 I N -3.724 116.900 120.570 0.090 0.000 2.785 620 I HA 0.482 nan 4.170 nan 0.000 0.302 620 I C -1.459 174.728 176.117 0.116 0.000 1.069 620 I CA -2.872 58.474 61.300 0.078 0.000 1.045 620 I CB 3.397 41.426 38.000 0.049 0.000 1.236 620 I HN -0.437 7.843 8.210 0.117 0.000 0.429 621 K N 1.196 121.634 120.400 0.063 0.000 2.118 621 K HA 0.749 nan 4.320 nan 0.000 0.254 621 K C -1.008 175.583 176.600 -0.014 0.000 0.961 621 K CA -2.337 53.999 56.287 0.082 0.000 0.876 621 K CB 1.821 34.349 32.500 0.047 0.000 1.077 621 K HN 0.427 8.582 8.250 0.026 0.111 0.440 622 I N 1.117 121.686 120.570 -0.002 0.000 2.498 622 I HA 0.553 nan 4.170 nan 0.000 0.290 622 I C -2.068 174.048 176.117 -0.003 0.000 1.032 622 I CA -0.974 60.265 61.300 -0.101 0.000 1.073 622 I CB 2.966 40.791 38.000 -0.291 0.000 1.251 622 I HN 0.720 9.005 8.210 0.125 0.000 0.426 623 K N 3.429 123.827 120.400 -0.004 0.000 2.471 623 K HA 0.554 nan 4.320 nan 0.000 0.252 623 K C -1.595 175.067 176.600 0.103 0.000 0.938 623 K CA -2.371 53.937 56.287 0.035 0.000 0.796 623 K CB 3.032 35.514 32.500 -0.030 0.000 1.161 623 K HN 0.510 8.741 8.250 -0.031 0.000 0.425 624 F N 6.654 126.621 119.950 0.029 0.000 2.502 624 F HA -0.047 nan 4.527 nan 0.000 0.371 624 F C -1.471 174.425 175.800 0.160 0.000 1.083 624 F CA -1.154 56.879 58.000 0.054 0.000 1.174 624 F CB 0.551 39.553 39.000 0.003 0.000 1.096 624 F HN 0.304 8.636 8.300 0.271 0.130 0.545 625 H N 10.815 129.519 119.070 -0.610 0.000 3.215 625 H HA -0.053 nan 4.556 nan 0.000 0.253 625 H C -0.304 174.378 175.328 -1.077 0.000 1.102 625 H CA -0.010 55.695 56.048 -0.572 0.000 1.482 625 H CB -0.181 29.356 29.762 -0.375 0.000 1.542 625 H HN 0.168 8.136 8.280 -0.346 0.104 0.498 626 G N 0.000 108.210 108.800 -0.983 0.000 5.446 626 G HA2 0.000 nan 3.960 nan 0.000 0.244 626 G HA3 0.000 nan 3.960 nan 0.000 0.244 626 G CA 0.000 44.668 45.100 -0.720 0.000 0.502 626 G HN 0.000 7.995 8.290 -0.492 0.000 0.925