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 3ixv_1_F 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 0.000 174.647 174.700 -0.088 0.000 1.109 1 T CA 0.000 62.066 62.100 -0.056 0.000 1.349 1 T CB 0.000 68.842 68.868 -0.044 0.000 0.612 2 V N 2.445 122.299 119.914 -0.101 0.000 2.343 2 V HA -0.168 nan 4.120 nan 0.000 0.247 2 V C 1.187 177.205 176.094 -0.126 0.000 1.051 2 V CA 3.368 65.585 62.300 -0.138 0.000 1.036 2 V CB -0.358 31.387 31.823 -0.129 0.000 0.654 2 V HN 0.609 8.748 8.190 -0.084 0.000 0.451 3 A N -1.153 121.614 122.820 -0.089 0.000 1.902 3 A HA -0.343 nan 4.320 nan 0.000 0.217 3 A C 1.029 178.578 177.584 -0.059 0.000 1.181 3 A CA 3.366 55.359 52.037 -0.073 0.000 0.623 3 A CB -0.916 18.055 19.000 -0.049 0.000 0.818 3 A HN -0.159 7.938 8.150 -0.077 0.007 0.443 4 D N -2.337 118.034 120.400 -0.047 0.000 2.117 4 D HA -0.232 nan 4.640 nan 0.000 0.197 4 D C 2.225 178.512 176.300 -0.021 0.000 0.987 4 D CA 3.198 57.186 54.000 -0.020 0.000 0.829 4 D CB -0.263 40.532 40.800 -0.008 0.000 0.961 4 D HN 0.022 8.233 8.370 -0.055 0.125 0.460 5 K N -0.251 120.099 120.400 -0.084 0.000 2.057 5 K HA -0.383 nan 4.320 nan 0.000 0.207 5 K C 2.454 179.007 176.600 -0.078 0.000 1.049 5 K CA 3.034 59.237 56.287 -0.140 0.000 0.931 5 K CB -0.067 32.203 32.500 -0.383 0.000 0.714 5 K HN -0.544 7.544 8.250 -0.108 0.097 0.440 6 Q N -1.843 117.895 119.800 -0.104 0.000 2.084 6 Q HA -0.308 nan 4.340 nan 0.000 0.202 6 Q C 2.444 178.417 176.000 -0.045 0.000 0.978 6 Q CA 2.946 58.690 55.803 -0.100 0.000 0.844 6 Q CB -0.258 28.397 28.738 -0.138 0.000 0.898 6 Q HN -0.012 8.082 8.270 -0.118 0.106 0.426 7 A N -1.111 121.701 122.820 -0.015 0.000 1.902 7 A HA -0.274 nan 4.320 nan 0.000 0.217 7 A C 1.270 178.901 177.584 0.079 0.000 1.181 7 A CA 2.714 54.767 52.037 0.027 0.000 0.623 7 A CB -0.709 18.315 19.000 0.040 0.000 0.818 7 A HN -0.252 7.794 8.150 -0.025 0.089 0.443 8 R N -3.157 117.411 120.500 0.113 0.000 2.096 8 R HA -0.257 nan 4.340 nan 0.000 0.235 8 R C 2.599 179.026 176.300 0.211 0.000 1.127 8 R CA 2.628 58.834 56.100 0.176 0.000 0.968 8 R CB 0.076 30.528 30.300 0.253 0.000 0.861 8 R HN -0.477 7.760 8.270 0.091 0.087 0.440 9 L N -1.035 120.328 121.223 0.234 0.000 2.083 9 L HA -0.298 nan 4.340 nan 0.000 0.209 9 L C 2.667 179.721 176.870 0.307 0.000 1.083 9 L CA 2.974 57.996 54.840 0.304 0.000 0.752 9 L CB -0.401 41.837 42.059 0.298 0.000 0.899 9 L HN -0.220 8.046 8.230 0.189 0.077 0.433 10 M N -1.114 118.557 119.600 0.117 0.000 2.086 10 M HA -0.257 nan 4.480 nan 0.000 0.261 10 M C -0.751 175.719 176.300 0.283 0.000 1.067 10 M CA 5.825 61.130 55.300 0.008 0.000 1.116 10 M CB -2.368 30.015 32.600 -0.362 0.000 1.348 10 M HN -0.282 8.040 8.290 0.052 0.000 0.407 11 P HA -0.161 nan 4.420 nan 0.000 0.225 11 P C 0.491 177.902 177.300 0.184 0.000 1.148 11 P CA 2.322 65.571 63.100 0.249 0.000 0.779 11 P CB -0.817 30.994 31.700 0.186 0.000 0.780 12 L N -3.152 118.162 121.223 0.150 0.000 2.083 12 L HA -0.352 nan 4.340 nan 0.000 0.209 12 L C 1.911 178.742 176.870 -0.066 0.000 1.083 12 L CA 2.665 57.507 54.840 0.004 0.000 0.752 12 L CB -0.280 41.737 42.059 -0.069 0.000 0.899 12 L HN -0.249 7.941 8.230 0.211 0.166 0.433 13 F N -4.817 115.275 119.950 0.237 0.000 2.558 13 F HA -0.219 nan 4.527 nan 0.000 0.298 13 F C 0.069 175.982 175.800 0.189 0.000 1.119 13 F CA 1.575 59.713 58.000 0.229 0.000 1.451 13 F CB -0.168 38.934 39.000 0.170 0.000 1.091 13 F HN -0.756 7.635 8.300 0.335 0.111 0.563 14 K N -2.110 118.493 120.400 0.339 0.000 2.144 14 K HA 0.038 nan 4.320 nan 0.000 0.270 14 K C -0.122 176.614 176.600 0.227 0.000 1.005 14 K CA -0.379 56.077 56.287 0.282 0.000 0.932 14 K CB 0.575 33.303 32.500 0.379 0.000 1.021 14 K HN -0.997 7.256 8.250 0.313 0.184 0.462 15 H N -0.462 118.650 119.070 0.070 0.000 2.692 15 H HA -0.345 nan 4.556 nan 0.000 0.316 15 H C 0.728 176.059 175.328 0.004 0.000 1.176 15 H CA 1.060 57.128 56.048 0.032 0.000 1.142 15 H CB -1.907 27.876 29.762 0.034 0.000 1.475 15 H HN 0.839 9.030 8.280 -0.147 0.000 0.423 16 L N -2.542 118.718 121.223 0.062 0.000 2.083 16 L HA -0.330 nan 4.340 nan 0.000 0.209 16 L C 1.653 178.562 176.870 0.066 0.000 1.083 16 L CA 2.912 57.780 54.840 0.047 0.000 0.752 16 L CB -1.106 41.035 42.059 0.136 0.000 0.899 16 L HN 0.238 8.472 8.230 0.007 0.000 0.433 17 T N -0.979 113.634 114.554 0.098 0.000 2.708 17 T HA -0.312 nan 4.350 nan 0.000 0.266 17 T C 2.159 176.902 174.700 0.071 0.000 1.037 17 T CA 3.972 66.136 62.100 0.108 0.000 1.146 17 T CB -0.710 68.225 68.868 0.112 0.000 0.865 17 T HN 0.186 8.462 8.240 0.079 0.011 0.435 18 A N 1.214 124.082 122.820 0.081 0.000 1.969 18 A HA -0.094 nan 4.320 nan 0.000 0.218 18 A C 1.231 178.824 177.584 0.014 0.000 1.169 18 A CA 1.962 54.034 52.037 0.058 0.000 0.635 18 A CB -0.855 18.201 19.000 0.094 0.000 0.810 18 A HN -0.159 8.047 8.150 0.112 0.011 0.445 19 L N -3.324 117.899 121.223 0.000 0.000 2.349 19 L HA -0.209 nan 4.340 nan 0.000 0.220 19 L C 0.621 177.446 176.870 -0.074 0.000 1.130 19 L CA 1.226 56.030 54.840 -0.060 0.000 0.791 19 L CB -0.161 41.816 42.059 -0.137 0.000 0.918 19 L HN -0.336 7.762 8.230 0.027 0.148 0.444 20 T N -0.689 113.839 114.554 -0.044 0.000 2.905 20 T HA -0.196 nan 4.350 nan 0.000 0.400 20 T C -0.945 173.733 174.700 -0.037 0.000 1.098 20 T CA 0.197 62.274 62.100 -0.039 0.000 1.095 20 T CB 0.171 69.033 68.868 -0.010 0.000 1.281 20 T HN -0.819 7.362 8.240 -0.021 0.046 0.515 21 R N 1.239 121.723 120.500 -0.027 0.000 2.080 21 R HA -0.285 nan 4.340 nan 0.000 0.362 21 R C -1.045 175.231 176.300 -0.040 0.000 1.156 21 R CA 1.079 57.162 56.100 -0.028 0.000 0.964 21 R CB -0.297 29.986 30.300 -0.028 0.000 2.865 21 R HN 0.190 8.450 8.270 -0.018 0.000 0.490 22 E N 4.993 125.171 120.200 -0.036 0.000 2.051 22 E HA -0.257 nan 4.350 nan 0.000 0.192 22 E C -0.695 175.878 176.600 -0.045 0.000 0.991 22 E CA 1.055 57.428 56.400 -0.044 0.000 0.799 22 E CB -0.227 29.453 29.700 -0.032 0.000 0.748 22 E HN 0.196 8.539 8.360 -0.028 0.000 0.449 23 K N -3.457 116.922 120.400 -0.035 0.000 3.088 23 K HA -0.272 nan 4.320 nan 0.000 0.273 23 K C -1.677 174.905 176.600 -0.031 0.000 1.111 23 K CA 0.311 56.578 56.287 -0.032 0.000 0.803 23 K CB -1.270 31.207 32.500 -0.039 0.000 1.226 23 K HN -0.273 7.959 8.250 -0.029 0.000 0.485 24 L N -1.303 119.903 121.223 -0.028 0.000 2.333 24 L HA 0.324 nan 4.340 nan 0.000 0.280 24 L C -1.515 175.346 176.870 -0.015 0.000 1.004 24 L CA -3.360 51.466 54.840 -0.023 0.000 0.820 24 L CB 1.021 43.064 42.059 -0.027 0.000 1.247 24 L HN -0.395 7.807 8.230 -0.026 0.012 0.416 25 P HA 0.026 nan 4.420 nan 0.000 0.217 25 P C -1.434 175.863 177.300 -0.005 0.000 1.151 25 P CA 1.316 64.412 63.100 -0.007 0.000 0.828 25 P CB 0.409 32.107 31.700 -0.004 0.000 0.788 26 L N -2.221 119.000 121.223 -0.004 0.000 2.592 26 L HA 0.140 nan 4.340 nan 0.000 0.258 26 L C -0.595 176.273 176.870 -0.002 0.000 0.926 26 L CA -0.811 54.027 54.840 -0.003 0.000 0.885 26 L CB 2.582 44.640 42.059 -0.000 0.000 1.380 26 L HN -0.789 7.438 8.230 -0.005 0.000 0.415 27 D N 0.887 121.285 120.400 -0.003 0.000 2.317 27 D HA -0.212 nan 4.640 nan 0.000 0.211 27 D C 0.943 177.243 176.300 0.001 0.000 0.966 27 D CA 2.238 56.237 54.000 -0.003 0.000 0.876 27 D CB 0.043 40.840 40.800 -0.004 0.000 0.927 27 D HN 0.291 8.659 8.370 -0.003 0.000 0.519 28 Q N -0.755 119.047 119.800 0.002 0.000 2.135 28 Q HA -0.276 nan 4.340 nan 0.000 0.204 28 Q C 0.927 176.930 176.000 0.005 0.000 0.981 28 Q CA 1.886 57.691 55.803 0.003 0.000 0.856 28 Q CB -1.145 27.595 28.738 0.003 0.000 0.902 28 Q HN 0.115 8.358 8.270 0.001 0.028 0.425 29 R N -2.197 118.307 120.500 0.007 0.000 2.091 29 R HA -0.127 nan 4.340 nan 0.000 0.238 29 R C 0.008 176.316 176.300 0.013 0.000 1.136 29 R CA 1.811 57.917 56.100 0.010 0.000 0.959 29 R CB -0.330 29.979 30.300 0.014 0.000 0.856 29 R HN 0.062 8.335 8.270 0.006 -0.001 0.437 30 D N 0.384 120.792 120.400 0.013 0.000 2.470 30 D HA 0.096 nan 4.640 nan 0.000 0.226 30 D C -0.772 175.533 176.300 0.009 0.000 1.196 30 D CA 0.433 54.442 54.000 0.015 0.000 0.979 30 D CB -1.349 39.457 40.800 0.009 0.000 1.059 30 D HN -0.345 7.914 8.370 0.009 0.117 0.515 31 E N 2.880 123.086 120.200 0.010 0.000 2.106 31 E HA -0.316 nan 4.350 nan 0.000 0.192 31 E C 2.177 178.783 176.600 0.009 0.000 0.984 31 E CA 3.163 59.568 56.400 0.008 0.000 0.806 31 E CB 0.085 29.790 29.700 0.008 0.000 0.750 31 E HN -0.071 8.249 8.360 0.011 0.047 0.458 32 R N -0.774 119.733 120.500 0.011 0.000 2.081 32 R HA -0.254 nan 4.340 nan 0.000 0.235 32 R C 2.331 178.635 176.300 0.007 0.000 1.131 32 R CA 2.702 58.808 56.100 0.011 0.000 0.960 32 R CB -0.497 29.810 30.300 0.012 0.000 0.856 32 R HN 0.255 8.516 8.270 0.012 0.017 0.436 33 L N -4.330 116.895 121.223 0.003 0.000 2.465 33 L HA -0.152 nan 4.340 nan 0.000 0.224 33 L C 1.096 177.967 176.870 0.000 0.000 1.145 33 L CA 1.822 56.661 54.840 -0.003 0.000 0.834 33 L CB -1.160 40.893 42.059 -0.009 0.000 0.944 33 L HN -0.073 8.022 8.230 0.005 0.139 0.451 34 K N 0.046 120.448 120.400 0.004 0.000 2.074 34 K HA -0.318 nan 4.320 nan 0.000 0.209 34 K C 1.792 178.395 176.600 0.006 0.000 1.048 34 K CA 2.795 59.085 56.287 0.005 0.000 0.926 34 K CB -1.170 31.334 32.500 0.006 0.000 0.713 34 K HN -0.241 7.823 8.250 0.005 0.188 0.444 35 G N -1.511 107.293 108.800 0.007 0.000 2.432 35 G HA2 -0.182 nan 3.960 nan 0.000 0.219 35 G HA3 -0.182 nan 3.960 nan 0.000 0.219 35 G C -0.941 173.964 174.900 0.009 0.000 1.135 35 G CA 0.502 45.607 45.100 0.009 0.000 0.767 35 G HN 0.051 8.320 8.290 0.007 0.025 0.550 36 V N -1.616 118.301 119.914 0.005 0.000 3.093 36 V HA 0.244 nan 4.120 nan 0.000 0.320 36 V C -0.578 175.521 176.094 0.009 0.000 1.093 36 V CA -1.366 60.938 62.300 0.007 0.000 1.016 36 V CB 1.398 33.221 31.823 -0.000 0.000 1.096 36 V HN -0.580 7.569 8.190 0.003 0.043 0.452 37 G N 2.316 111.126 108.800 0.017 0.000 2.154 37 G HA2 -0.311 nan 3.960 nan 0.000 0.186 37 G HA3 -0.311 nan 3.960 nan 0.000 0.186 37 G C 0.003 174.915 174.900 0.021 0.000 1.000 37 G CA 0.494 45.605 45.100 0.017 0.000 0.664 37 G HN 0.420 8.724 8.290 0.023 0.000 0.513 38 I N -4.043 116.539 120.570 0.021 0.000 2.233 38 I HA 0.031 nan 4.170 nan 0.000 0.243 38 I C -0.013 176.119 176.117 0.025 0.000 1.093 38 I CA 1.132 62.441 61.300 0.015 0.000 1.380 38 I CB 0.286 38.287 38.000 0.002 0.000 1.067 38 I HN -0.304 7.919 8.210 0.022 0.000 0.413 39 L N 2.693 123.944 121.223 0.047 0.000 2.410 39 L HA 0.320 nan 4.340 nan 0.000 0.273 39 L C -2.388 174.535 176.870 0.089 0.000 1.152 39 L CA -2.215 52.674 54.840 0.081 0.000 0.855 39 L CB 0.048 42.212 42.059 0.176 0.000 1.129 39 L HN -0.732 7.759 8.230 0.055 -0.227 0.463 40 P HA 0.184 nan 4.420 nan 0.000 0.274 40 P C 0.123 177.474 177.300 0.087 0.000 1.237 40 P CA -0.341 62.801 63.100 0.070 0.000 0.793 40 P CB 0.615 32.350 31.700 0.058 0.000 0.977 41 R N 3.270 123.809 120.500 0.065 0.000 2.088 41 R HA -0.330 nan 4.340 nan 0.000 0.232 41 R C 2.537 178.888 176.300 0.085 0.000 1.136 41 R CA 3.491 59.632 56.100 0.069 0.000 0.926 41 R CB -0.886 29.439 30.300 0.043 0.000 0.837 41 R HN 0.543 8.842 8.270 0.048 0.000 0.429 42 G N -1.453 107.388 108.800 0.069 0.000 2.432 42 G HA2 -0.181 nan 3.960 nan 0.000 0.219 42 G HA3 -0.181 nan 3.960 nan 0.000 0.219 42 G C -0.036 174.911 174.900 0.077 0.000 1.135 42 G CA 0.549 45.689 45.100 0.066 0.000 0.767 42 G HN 0.311 8.635 8.290 0.057 0.000 0.550 43 T N -0.947 113.664 114.554 0.095 0.000 2.906 43 T HA -0.211 nan 4.350 nan 0.000 0.320 43 T C -0.259 174.514 174.700 0.123 0.000 1.088 43 T CA -0.381 61.786 62.100 0.112 0.000 1.120 43 T CB 0.866 69.822 68.868 0.146 0.000 1.000 43 T HN -0.883 7.366 8.240 0.096 0.049 0.550 44 L N 0.585 121.862 121.223 0.090 0.000 2.397 44 L HA 0.168 nan 4.340 nan 0.000 0.271 44 L C 0.092 177.013 176.870 0.085 0.000 1.148 44 L CA -0.147 54.738 54.840 0.074 0.000 0.825 44 L CB 0.485 42.552 42.059 0.014 0.000 1.117 44 L HN 0.078 8.357 8.230 0.082 0.000 0.456 45 F N 3.565 123.499 119.950 -0.028 0.000 2.404 45 F HA 0.065 nan 4.527 nan 0.000 0.339 45 F C -1.102 174.574 175.800 -0.207 0.000 1.105 45 F CA -0.987 56.956 58.000 -0.095 0.000 1.087 45 F CB 2.325 41.353 39.000 0.048 0.000 1.143 45 F HN -0.136 8.325 8.300 0.268 0.000 0.491 46 S N 5.601 120.480 115.700 -1.367 0.000 2.437 46 S HA 0.159 nan 4.470 nan 0.000 0.305 46 S C 0.151 174.155 174.600 -0.994 0.000 1.109 46 S CA -1.356 56.322 58.200 -0.870 0.000 1.099 46 S CB 1.509 64.303 63.200 -0.676 0.000 1.004 46 S HN -0.126 6.852 8.310 -2.220 0.000 0.475 47 C N 7.005 125.972 119.300 -0.554 0.000 2.450 47 C HA 0.067 nan 4.460 nan 0.000 0.279 47 C C 0.666 175.182 174.990 -0.791 0.000 1.335 47 C CA 1.469 60.121 59.018 -0.610 0.000 1.749 47 C CB -0.317 26.997 27.740 -0.711 0.000 1.963 47 C HN 0.152 8.179 8.230 -0.339 0.000 0.501 48 F N -4.785 115.021 119.950 -0.239 0.000 2.219 48 F HA -0.074 nan 4.527 nan 0.000 0.294 48 F C -0.067 175.554 175.800 -0.297 0.000 1.086 48 F CA 1.742 59.609 58.000 -0.221 0.000 1.330 48 F CB 0.092 38.980 39.000 -0.187 0.000 1.047 48 F HN -0.930 7.126 8.300 -0.363 0.026 0.495 49 H N 0.334 119.273 119.070 -0.218 0.000 2.897 49 H HA -0.075 nan 4.556 nan 0.000 0.347 49 H C 0.648 175.845 175.328 -0.218 0.000 1.068 49 H CA 0.222 56.113 56.048 -0.262 0.000 1.426 49 H CB 2.034 31.795 29.762 -0.002 0.000 1.410 49 H HN -0.700 7.545 8.280 -0.059 0.000 0.597 50 A N 6.839 129.284 122.820 -0.625 0.000 1.877 50 A HA -0.293 nan 4.320 nan 0.000 0.216 50 A C 1.630 179.205 177.584 -0.016 0.000 1.186 50 A CA 3.592 55.456 52.037 -0.287 0.000 0.620 50 A CB -0.088 18.742 19.000 -0.283 0.000 0.822 50 A HN 0.706 8.074 8.150 -1.304 0.000 0.443 51 R N -2.332 118.293 120.500 0.209 0.000 2.096 51 R HA -0.339 nan 4.340 nan 0.000 0.235 51 R C 2.367 178.682 176.300 0.025 0.000 1.127 51 R CA 3.038 59.217 56.100 0.131 0.000 0.968 51 R CB -0.907 29.453 30.300 0.100 0.000 0.861 51 R HN -0.549 7.900 8.270 0.298 0.000 0.440 52 H N -0.062 119.052 119.070 0.072 0.000 2.353 52 H HA -0.170 nan 4.556 nan 0.000 0.300 52 H C 2.582 177.932 175.328 0.037 0.000 1.090 52 H CA 3.758 59.775 56.048 -0.051 0.000 1.327 52 H CB 0.110 29.554 29.762 -0.531 0.000 1.383 52 H HN -0.638 7.810 8.280 0.315 0.021 0.508 53 L N -1.325 119.946 121.223 0.080 0.000 2.083 53 L HA -0.368 nan 4.340 nan 0.000 0.209 53 L C 1.900 178.825 176.870 0.091 0.000 1.083 53 L CA 2.770 57.646 54.840 0.060 0.000 0.752 53 L CB -0.632 41.415 42.059 -0.020 0.000 0.899 53 L HN -0.199 7.963 8.230 0.051 0.099 0.433 54 A N -0.904 121.957 122.820 0.068 0.000 1.902 54 A HA -0.386 nan 4.320 nan 0.000 0.217 54 A C 2.099 179.721 177.584 0.062 0.000 1.181 54 A CA 3.360 55.433 52.037 0.060 0.000 0.623 54 A CB -1.110 17.915 19.000 0.042 0.000 0.818 54 A HN 0.297 8.386 8.150 0.054 0.094 0.443 55 E N -1.286 118.956 120.200 0.069 0.000 2.077 55 E HA -0.404 nan 4.350 nan 0.000 0.193 55 E C 2.361 178.963 176.600 0.004 0.000 0.989 55 E CA 2.842 59.273 56.400 0.051 0.000 0.800 55 E CB -0.101 29.652 29.700 0.088 0.000 0.746 55 E HN -0.479 7.929 8.360 0.079 0.000 0.452 56 A N -1.335 121.492 122.820 0.012 0.000 1.902 56 A HA -0.261 nan 4.320 nan 0.000 0.217 56 A C 2.068 179.410 177.584 -0.404 0.000 1.181 56 A CA 3.367 55.256 52.037 -0.247 0.000 0.623 56 A CB -0.866 18.003 19.000 -0.217 0.000 0.818 56 A HN -0.063 8.088 8.150 0.130 0.077 0.443 57 T N -0.241 114.366 114.554 0.087 0.000 2.746 57 T HA -0.309 nan 4.350 nan 0.000 0.267 57 T C 1.766 176.601 174.700 0.224 0.000 1.039 57 T CA 4.519 66.869 62.100 0.417 0.000 1.142 57 T CB -0.478 68.551 68.868 0.269 0.000 0.866 57 T HN 0.122 8.352 8.240 0.119 0.081 0.444 58 E N 1.629 121.871 120.200 0.070 0.000 2.077 58 E HA -0.270 nan 4.350 nan 0.000 0.193 58 E C 1.942 178.556 176.600 0.023 0.000 0.989 58 E CA 2.813 59.241 56.400 0.046 0.000 0.800 58 E CB -0.574 29.139 29.700 0.021 0.000 0.746 58 E HN -0.353 7.949 8.360 0.049 0.087 0.452 59 L N -1.328 119.852 121.223 -0.072 0.000 2.046 59 L HA -0.390 nan 4.340 nan 0.000 0.208 59 L C 2.308 179.154 176.870 -0.040 0.000 1.077 59 L CA 3.205 57.983 54.840 -0.104 0.000 0.747 59 L CB -0.264 41.666 42.059 -0.215 0.000 0.896 59 L HN -0.205 7.855 8.230 -0.121 0.098 0.432 60 Y N -3.090 117.267 120.300 0.096 0.000 2.181 60 Y HA -0.445 nan 4.550 nan 0.000 0.288 60 Y C 2.289 178.356 175.900 0.278 0.000 1.146 60 Y CA 4.163 62.379 58.100 0.193 0.000 1.164 60 Y CB -1.168 37.497 38.460 0.342 0.000 0.982 60 Y HN -0.282 7.766 8.280 -0.235 0.091 0.515 61 V N -4.377 115.765 119.914 0.380 0.000 2.332 61 V HA -0.443 nan 4.120 nan 0.000 0.248 61 V C 1.575 177.796 176.094 0.212 0.000 1.055 61 V CA 3.566 66.027 62.300 0.269 0.000 1.038 61 V CB -1.616 30.278 31.823 0.117 0.000 0.651 61 V HN 0.114 8.493 8.190 0.325 0.006 0.450 62 A N 0.284 123.180 122.820 0.126 0.000 1.902 62 A HA -0.279 nan 4.320 nan 0.000 0.217 62 A C 1.912 179.535 177.584 0.066 0.000 1.181 62 A CA 3.067 55.145 52.037 0.069 0.000 0.623 62 A CB -0.908 18.102 19.000 0.015 0.000 0.818 62 A HN -0.581 7.534 8.150 0.111 0.103 0.443 63 L N -2.358 118.895 121.223 0.051 0.000 2.046 63 L HA -0.400 nan 4.340 nan 0.000 0.208 63 L C 2.228 179.146 176.870 0.080 0.000 1.077 63 L CA 3.180 58.029 54.840 0.015 0.000 0.747 63 L CB -0.687 41.367 42.059 -0.008 0.000 0.896 63 L HN -0.479 7.706 8.230 0.073 0.089 0.432 64 Y N -2.668 117.739 120.300 0.177 0.000 2.181 64 Y HA -0.413 nan 4.550 nan 0.000 0.288 64 Y C 2.920 178.881 175.900 0.101 0.000 1.146 64 Y CA 3.353 61.533 58.100 0.134 0.000 1.164 64 Y CB -0.440 38.052 38.460 0.053 0.000 0.982 64 Y HN 0.328 8.586 8.280 0.276 0.187 0.515 65 G N -2.463 106.469 108.800 0.221 0.000 2.448 65 G HA2 -0.314 nan 3.960 nan 0.000 0.219 65 G HA3 -0.314 nan 3.960 nan 0.000 0.219 65 G C -0.441 174.526 174.900 0.111 0.000 1.127 65 G CA 0.185 45.366 45.100 0.136 0.000 0.766 65 G HN -0.053 8.166 8.290 0.227 0.208 0.552 66 A N 1.002 123.893 122.820 0.118 0.000 2.580 66 A HA -0.170 nan 4.320 nan 0.000 0.244 66 A C -0.186 177.461 177.584 0.106 0.000 1.045 66 A CA 0.123 52.222 52.037 0.104 0.000 0.761 66 A CB 0.094 19.179 19.000 0.142 0.000 0.962 66 A HN -0.641 7.435 8.150 0.131 0.153 0.512 67 K N 3.480 123.926 120.400 0.078 0.000 2.026 67 K HA -0.259 nan 4.320 nan 0.000 0.208 67 K C -0.702 175.949 176.600 0.085 0.000 1.048 67 K CA 2.328 58.658 56.287 0.071 0.000 0.929 67 K CB 0.380 32.909 32.500 0.050 0.000 0.713 67 K HN 0.348 8.807 8.250 0.063 -0.171 0.439 68 D N -5.422 115.036 120.400 0.096 0.000 2.636 68 D HA -0.038 nan 4.640 nan 0.000 0.275 68 D C -0.264 176.133 176.300 0.162 0.000 1.130 68 D CA -1.700 52.375 54.000 0.125 0.000 1.031 68 D CB 0.784 41.650 40.800 0.110 0.000 1.451 68 D HN -0.526 7.896 8.370 0.087 0.000 0.505 69 F N -0.033 119.958 119.950 0.068 0.000 2.134 69 F HA -0.285 nan 4.527 nan 0.000 0.299 69 F C 0.690 176.593 175.800 0.171 0.000 1.097 69 F CA 3.741 61.789 58.000 0.081 0.000 1.264 69 F CB 0.378 39.379 39.000 0.002 0.000 1.001 69 F HN 0.115 8.567 8.300 0.294 0.025 0.479 70 N N -2.258 116.562 118.700 0.199 0.000 2.120 70 N HA -0.323 nan 4.740 nan 0.000 0.188 70 N C 2.439 177.983 175.510 0.058 0.000 1.024 70 N CA 3.284 56.411 53.050 0.128 0.000 0.852 70 N CB -1.251 37.308 38.487 0.119 0.000 1.003 70 N HN 0.074 8.578 8.380 0.232 0.015 0.424 71 D N 0.460 120.894 120.400 0.058 0.000 2.144 71 D HA -0.230 nan 4.640 nan 0.000 0.199 71 D C 1.767 178.080 176.300 0.022 0.000 0.984 71 D CA 2.648 56.674 54.000 0.044 0.000 0.834 71 D CB -0.146 40.679 40.800 0.042 0.000 0.955 71 D HN -0.047 8.545 8.370 0.079 -0.175 0.465 72 F N 1.570 121.405 119.950 -0.191 0.000 2.102 72 F HA -0.336 nan 4.527 nan 0.000 0.298 72 F C 1.697 177.315 175.800 -0.303 0.000 1.105 72 F CA 3.399 61.222 58.000 -0.295 0.000 1.239 72 F CB 0.294 38.969 39.000 -0.541 0.000 0.991 72 F HN -0.177 8.092 8.300 0.084 0.082 0.474 73 I N -2.201 118.252 120.570 -0.196 0.000 2.226 73 I HA -0.556 nan 4.170 nan 0.000 0.245 73 I C 1.947 177.972 176.117 -0.154 0.000 1.100 73 I CA 2.588 63.788 61.300 -0.166 0.000 1.374 73 I CB -1.742 36.245 38.000 -0.022 0.000 1.057 73 I HN 0.204 8.231 8.210 -0.172 0.080 0.413 74 H N 1.471 120.455 119.070 -0.144 0.000 2.293 74 H HA -0.311 nan 4.556 nan 0.000 0.300 74 H C 2.271 177.516 175.328 -0.139 0.000 1.082 74 H CA 4.548 60.532 56.048 -0.107 0.000 1.308 74 H CB 0.342 30.064 29.762 -0.066 0.000 1.375 74 H HN -0.358 7.873 8.280 0.051 0.080 0.495 75 L N -1.542 119.631 121.223 -0.083 0.000 2.083 75 L HA -0.285 nan 4.340 nan 0.000 0.209 75 L C 1.639 178.369 176.870 -0.233 0.000 1.083 75 L CA 3.111 57.870 54.840 -0.135 0.000 0.752 75 L CB -0.699 41.299 42.059 -0.103 0.000 0.899 75 L HN -0.100 8.104 8.230 -0.043 0.000 0.433 76 C N -0.225 118.870 119.300 -0.342 0.000 2.432 76 C HA -0.486 nan 4.460 nan 0.000 0.277 76 C C 1.666 176.558 174.990 -0.163 0.000 1.249 76 C CA 4.155 63.018 59.018 -0.258 0.000 1.725 76 C CB -1.977 25.495 27.740 -0.447 0.000 2.028 76 C HN -0.183 7.769 8.230 -0.436 0.015 0.477 77 E N -0.563 119.495 120.200 -0.236 0.000 2.085 77 E HA -0.505 nan 4.350 nan 0.000 0.194 77 E C 2.411 178.851 176.600 -0.267 0.000 0.994 77 E CA 3.215 59.472 56.400 -0.237 0.000 0.801 77 E CB -0.290 29.269 29.700 -0.236 0.000 0.743 77 E HN 0.149 8.160 8.360 -0.267 0.189 0.453 78 Q N -0.850 118.762 119.800 -0.313 0.000 2.083 78 Q HA -0.218 nan 4.340 nan 0.000 0.198 78 Q C 2.718 178.613 176.000 -0.174 0.000 0.969 78 Q CA 2.673 58.325 55.803 -0.252 0.000 0.838 78 Q CB 0.107 28.688 28.738 -0.262 0.000 0.900 78 Q HN -0.248 7.718 8.270 -0.387 0.071 0.436 79 A N 0.770 123.505 122.820 -0.142 0.000 1.933 79 A HA -0.279 nan 4.320 nan 0.000 0.218 79 A C 1.488 179.004 177.584 -0.114 0.000 1.175 79 A CA 2.991 54.982 52.037 -0.078 0.000 0.628 79 A CB -0.871 18.123 19.000 -0.009 0.000 0.814 79 A HN 0.628 8.489 8.150 -0.159 0.193 0.444 80 R N -2.985 117.353 120.500 -0.269 0.000 2.152 80 R HA -0.365 nan 4.340 nan 0.000 0.232 80 R C 1.589 177.672 176.300 -0.362 0.000 1.117 80 R CA 3.048 58.773 56.100 -0.625 0.000 0.981 80 R CB -0.133 29.471 30.300 -1.159 0.000 0.870 80 R HN -0.181 7.926 8.270 -0.242 0.018 0.451 81 Q N -2.874 116.784 119.800 -0.236 0.000 2.050 81 Q HA -0.257 nan 4.340 nan 0.000 0.202 81 Q C 1.496 177.431 176.000 -0.108 0.000 0.980 81 Q CA 2.377 58.084 55.803 -0.160 0.000 0.840 81 Q CB 0.137 28.801 28.738 -0.124 0.000 0.898 81 Q HN -0.611 7.373 8.270 -0.222 0.152 0.424 82 I N -3.659 116.860 120.570 -0.084 0.000 2.339 82 I HA -0.143 nan 4.170 nan 0.000 0.245 82 I C 0.227 176.330 176.117 -0.023 0.000 1.096 82 I CA 0.992 62.265 61.300 -0.044 0.000 1.408 82 I CB 1.386 39.367 38.000 -0.032 0.000 1.092 82 I HN -0.717 7.436 8.210 -0.094 0.000 0.423 83 V N -4.430 115.473 119.914 -0.018 0.000 3.185 83 V HA 0.062 nan 4.120 nan 0.000 0.305 83 V C -1.042 175.077 176.094 0.042 0.000 1.090 83 V CA -1.879 60.435 62.300 0.024 0.000 1.107 83 V CB -0.062 31.791 31.823 0.049 0.000 1.061 83 V HN -0.457 7.710 8.190 -0.039 0.000 0.480 84 N N 0.801 119.547 118.700 0.078 0.000 2.454 84 N HA -0.174 nan 4.740 nan 0.000 0.254 84 N C 1.282 176.861 175.510 0.114 0.000 1.228 84 N CA 0.200 53.313 53.050 0.105 0.000 0.900 84 N CB 1.119 39.707 38.487 0.167 0.000 1.089 84 N HN -0.058 8.372 8.380 0.084 0.000 0.449 85 E N 3.138 123.418 120.200 0.133 0.000 2.106 85 E HA -0.322 nan 4.350 nan 0.000 0.192 85 E C 1.735 178.494 176.600 0.265 0.000 0.984 85 E CA 3.007 59.525 56.400 0.196 0.000 0.806 85 E CB -0.869 28.959 29.700 0.213 0.000 0.750 85 E HN 0.246 8.682 8.360 0.126 0.000 0.458 86 G N -0.320 108.585 108.800 0.176 0.000 2.418 86 G HA2 -0.304 nan 3.960 nan 0.000 0.217 86 G HA3 -0.304 nan 3.960 nan 0.000 0.217 86 G C 1.127 175.947 174.900 -0.134 0.000 1.158 86 G CA 1.583 46.757 45.100 0.123 0.000 0.771 86 G HN -0.324 8.123 8.290 0.168 -0.056 0.545 87 M N 2.713 122.054 119.600 -0.431 0.000 2.117 87 M HA -0.357 nan 4.480 nan 0.000 0.262 87 M C 0.866 177.001 176.300 -0.274 0.000 1.065 87 M CA 3.304 58.106 55.300 -0.830 0.000 1.114 87 M CB 0.061 32.377 32.600 -0.474 0.000 1.361 87 M HN 0.098 8.630 8.290 -0.162 -0.339 0.408 88 F N -0.595 119.267 119.950 -0.146 0.000 2.102 88 F HA -0.405 nan 4.527 nan 0.000 0.298 88 F C 1.113 176.934 175.800 0.035 0.000 1.105 88 F CA 4.205 62.164 58.000 -0.069 0.000 1.239 88 F CB -0.081 38.890 39.000 -0.048 0.000 0.991 88 F HN -0.370 7.924 8.300 0.145 0.093 0.474 89 V N -0.276 119.759 119.914 0.201 0.000 2.407 89 V HA -0.469 nan 4.120 nan 0.000 0.248 89 V C 1.022 177.270 176.094 0.257 0.000 1.055 89 V CA 4.027 66.501 62.300 0.290 0.000 1.049 89 V CB -1.000 31.202 31.823 0.633 0.000 0.662 89 V HN 0.035 8.462 8.190 0.395 0.000 0.455 90 Y N 0.532 120.890 120.300 0.096 0.000 2.145 90 Y HA -0.476 nan 4.550 nan 0.000 0.286 90 Y C 1.341 177.251 175.900 0.017 0.000 1.145 90 Y CA 3.779 61.905 58.100 0.043 0.000 1.148 90 Y CB -0.318 38.029 38.460 -0.188 0.000 0.981 90 Y HN -0.426 7.877 8.280 0.208 0.102 0.507 91 A N -1.686 121.148 122.820 0.023 0.000 1.898 91 A HA -0.367 nan 4.320 nan 0.000 0.216 91 A C 2.125 179.726 177.584 0.030 0.000 1.181 91 A CA 3.143 55.071 52.037 -0.181 0.000 0.620 91 A CB -0.652 18.083 19.000 -0.442 0.000 0.819 91 A HN 0.189 8.271 8.150 -0.113 0.000 0.442 92 V N -4.524 115.259 119.914 -0.217 0.000 2.358 92 V HA -0.391 nan 4.120 nan 0.000 0.246 92 V C 1.831 178.038 176.094 0.189 0.000 1.047 92 V CA 3.855 66.068 62.300 -0.145 0.000 1.035 92 V CB -1.286 30.201 31.823 -0.561 0.000 0.658 92 V HN 0.162 8.090 8.190 -0.435 0.000 0.452 93 S N 0.243 116.098 115.700 0.258 0.000 2.382 93 S HA -0.272 nan 4.470 nan 0.000 0.228 93 S C 1.953 176.707 174.600 0.256 0.000 1.027 93 S CA 3.472 61.854 58.200 0.303 0.000 0.991 93 S CB -0.274 63.105 63.200 0.299 0.000 0.823 93 S HN -0.306 8.124 8.310 0.200 0.000 0.469 94 V N 1.487 121.605 119.914 0.340 0.000 2.343 94 V HA -0.392 nan 4.120 nan 0.000 0.247 94 V C 1.852 178.248 176.094 0.502 0.000 1.051 94 V CA 3.984 66.565 62.300 0.468 0.000 1.036 94 V CB -1.062 31.118 31.823 0.595 0.000 0.654 94 V HN -0.444 7.965 8.190 0.365 0.000 0.451 95 A N -0.676 122.326 122.820 0.302 0.000 1.902 95 A HA -0.289 nan 4.320 nan 0.000 0.217 95 A C 1.852 179.432 177.584 -0.006 0.000 1.181 95 A CA 3.575 55.572 52.037 -0.066 0.000 0.623 95 A CB -0.820 18.215 19.000 0.057 0.000 0.818 95 A HN -0.248 8.030 8.150 0.339 0.075 0.443 96 V N -0.046 119.923 119.914 0.092 0.000 2.407 96 V HA -0.426 nan 4.120 nan 0.000 0.248 96 V C 1.618 177.714 176.094 0.002 0.000 1.055 96 V CA 4.294 66.610 62.300 0.027 0.000 1.049 96 V CB -0.938 30.955 31.823 0.116 0.000 0.662 96 V HN 0.177 8.480 8.190 0.189 0.000 0.455 97 L N -1.321 119.916 121.223 0.024 0.000 2.005 97 L HA -0.434 nan 4.340 nan 0.000 0.207 97 L C 1.638 178.376 176.870 -0.220 0.000 1.072 97 L CA 3.406 58.158 54.840 -0.146 0.000 0.744 97 L CB 0.010 41.905 42.059 -0.273 0.000 0.895 97 L HN -0.207 7.999 8.230 0.111 0.091 0.433 98 H N -4.776 114.406 119.070 0.186 0.000 2.384 98 H HA 0.014 nan 4.556 nan 0.000 0.300 98 H C 1.136 176.605 175.328 0.236 0.000 1.057 98 H CA 2.547 58.758 56.048 0.272 0.000 1.370 98 H CB 0.676 30.755 29.762 0.529 0.000 1.417 98 H HN -0.498 7.985 8.280 0.339 0.000 0.527 99 R N 1.157 121.816 120.500 0.266 0.000 2.351 99 R HA -0.118 nan 4.340 nan 0.000 0.318 99 R C 0.697 177.032 176.300 0.058 0.000 1.055 99 R CA -0.008 56.178 56.100 0.145 0.000 0.968 99 R CB 0.164 30.421 30.300 -0.072 0.000 0.974 99 R HN 0.036 8.399 8.270 0.155 0.000 0.439 100 E N 5.295 125.544 120.200 0.082 0.000 2.097 100 E HA -0.396 nan 4.350 nan 0.000 0.196 100 E C 1.188 177.786 176.600 -0.002 0.000 1.000 100 E CA 3.531 59.955 56.400 0.040 0.000 0.804 100 E CB -0.572 29.159 29.700 0.051 0.000 0.740 100 E HN 0.433 8.869 8.360 0.126 0.000 0.454 101 D N -0.402 120.011 120.400 0.021 0.000 2.133 101 D HA -0.229 nan 4.640 nan 0.000 0.195 101 D C 1.664 177.892 176.300 -0.119 0.000 0.997 101 D CA 2.795 56.807 54.000 0.020 0.000 0.840 101 D CB -0.484 40.430 40.800 0.189 0.000 0.947 101 D HN -0.002 8.381 8.370 0.051 0.017 0.452 102 C N -0.376 118.868 119.300 -0.094 0.000 2.420 102 C HA -0.090 nan 4.460 nan 0.000 0.373 102 C C 0.500 175.392 174.990 -0.163 0.000 1.356 102 C CA -1.062 57.842 59.018 -0.190 0.000 1.531 102 C CB -2.483 25.190 27.740 -0.111 0.000 1.613 102 C HN -0.137 7.989 8.230 -0.029 0.086 0.597 103 K N 3.061 123.375 120.400 -0.143 0.000 3.256 103 K HA -0.148 nan 4.320 nan 0.000 0.285 103 K C -0.102 176.405 176.600 -0.155 0.000 1.086 103 K CA -0.132 56.084 56.287 -0.118 0.000 1.125 103 K CB -2.425 30.024 32.500 -0.085 0.000 1.292 103 K HN -0.125 7.871 8.250 -0.129 0.176 0.312 104 G N -3.196 105.489 108.800 -0.191 0.000 3.941 104 G HA2 0.145 nan 3.960 nan 0.000 0.222 104 G HA3 0.145 nan 3.960 nan 0.000 0.222 104 G C -1.284 173.478 174.900 -0.229 0.000 1.118 104 G CA -0.125 44.844 45.100 -0.217 0.000 0.880 104 G HN -0.034 8.086 8.290 -0.181 0.061 0.546 105 I N 0.915 121.348 120.570 -0.229 0.000 2.651 105 I HA 0.085 nan 4.170 nan 0.000 0.287 105 I C -1.569 174.386 176.117 -0.271 0.000 1.244 105 I CA -0.947 60.206 61.300 -0.246 0.000 1.061 105 I CB 2.691 40.571 38.000 -0.200 0.000 1.286 105 I HN -0.267 7.825 8.210 -0.197 0.000 0.434 106 T N 5.939 120.260 114.554 -0.389 0.000 2.847 106 T HA 0.082 nan 4.350 nan 0.000 0.279 106 T C -1.309 173.231 174.700 -0.266 0.000 0.984 106 T CA -0.802 61.065 62.100 -0.389 0.000 0.988 106 T CB 1.208 69.744 68.868 -0.553 0.000 1.040 106 T HN 0.076 8.253 8.240 -0.372 -0.160 0.528 107 V N 2.162 121.930 119.914 -0.243 0.000 2.630 107 V HA 0.335 nan 4.120 nan 0.000 0.305 107 V C -1.770 174.034 176.094 -0.484 0.000 1.046 107 V CA -3.520 58.548 62.300 -0.387 0.000 0.934 107 V CB 0.510 32.170 31.823 -0.272 0.000 1.003 107 V HN 0.378 8.461 8.190 -0.177 0.000 0.451 108 P HA 0.256 nan 4.420 nan 0.000 0.269 108 P C -2.623 174.496 177.300 -0.302 0.000 1.215 108 P CA -1.290 61.473 63.100 -0.562 0.000 0.780 108 P CB -0.143 31.201 31.700 -0.594 0.000 0.898 109 P HA 0.031 nan 4.420 nan 0.000 0.268 109 P C 0.446 177.689 177.300 -0.095 0.000 1.204 109 P CA -0.304 62.750 63.100 -0.076 0.000 0.768 109 P CB 0.455 32.117 31.700 -0.062 0.000 0.842 110 I N -0.710 119.803 120.570 -0.095 0.000 2.252 110 I HA -0.458 nan 4.170 nan 0.000 0.245 110 I C 1.323 177.367 176.117 -0.121 0.000 1.102 110 I CA 3.925 65.144 61.300 -0.135 0.000 1.385 110 I CB -0.128 37.682 38.000 -0.317 0.000 1.064 110 I HN 0.320 8.527 8.210 -0.005 0.000 0.414 111 Q N 0.715 120.164 119.800 -0.585 0.000 2.084 111 Q HA -0.339 nan 4.340 nan 0.000 0.202 111 Q C 1.303 177.049 176.000 -0.422 0.000 0.978 111 Q CA 3.613 58.611 55.803 -1.342 0.000 0.844 111 Q CB -1.172 26.718 28.738 -1.413 0.000 0.898 111 Q HN 0.298 8.286 8.270 -0.469 0.000 0.426 112 E N -2.768 117.294 120.200 -0.230 0.000 2.107 112 E HA -0.207 nan 4.350 nan 0.000 0.191 112 E C 1.815 178.386 176.600 -0.049 0.000 0.982 112 E CA 2.269 58.623 56.400 -0.077 0.000 0.809 112 E CB -0.035 29.654 29.700 -0.018 0.000 0.756 112 E HN 0.014 8.135 8.360 -0.236 0.097 0.459 113 V N -4.669 115.196 119.914 -0.081 0.000 2.307 113 V HA -0.161 nan 4.120 nan 0.000 0.245 113 V C 0.655 176.471 176.094 -0.464 0.000 1.045 113 V CA 2.233 64.390 62.300 -0.238 0.000 1.024 113 V CB 0.085 31.746 31.823 -0.269 0.000 0.651 113 V HN -0.127 7.806 8.190 -0.076 0.211 0.449 114 F N -1.245 118.759 119.950 0.089 0.000 2.449 114 F HA 0.610 nan 4.527 nan 0.000 0.344 114 F C -1.119 174.828 175.800 0.245 0.000 1.180 114 F CA -3.088 54.999 58.000 0.145 0.000 1.209 114 F CB 0.438 39.519 39.000 0.134 0.000 1.440 114 F HN -0.053 8.242 8.300 0.167 0.106 0.526 115 P HA -0.222 nan 4.420 nan 0.000 0.220 115 P C 0.189 177.683 177.300 0.324 0.000 1.148 115 P CA 2.567 65.825 63.100 0.263 0.000 0.803 115 P CB -0.148 31.631 31.700 0.131 0.000 0.782 116 D N -3.565 117.009 120.400 0.290 0.000 2.178 116 D HA -0.273 nan 4.640 nan 0.000 0.202 116 D C 1.536 177.972 176.300 0.226 0.000 0.974 116 D CA 2.704 56.846 54.000 0.237 0.000 0.841 116 D CB -1.034 39.896 40.800 0.216 0.000 0.953 116 D HN 0.494 8.999 8.370 0.316 0.055 0.478 117 R N -2.196 118.441 120.500 0.228 0.000 2.115 117 R HA -0.198 nan 4.340 nan 0.000 0.226 117 R C 1.467 177.623 176.300 -0.240 0.000 1.100 117 R CA 2.163 58.258 56.100 -0.009 0.000 0.980 117 R CB -0.729 29.475 30.300 -0.159 0.000 0.875 117 R HN -0.481 7.977 8.270 0.342 0.018 0.445 118 F N -2.534 117.446 119.950 0.051 0.000 2.234 118 F HA -0.073 nan 4.527 nan 0.000 0.296 118 F C -0.297 175.505 175.800 0.004 0.000 1.089 118 F CA 2.265 60.261 58.000 -0.007 0.000 1.343 118 F CB 0.775 39.748 39.000 -0.044 0.000 1.040 118 F HN -0.804 7.638 8.300 0.463 0.137 0.498 119 V N -7.270 112.770 119.914 0.210 0.000 2.815 119 V HA 0.462 nan 4.120 nan 0.000 0.314 119 V C -2.853 173.328 176.094 0.144 0.000 1.064 119 V CA -4.569 57.828 62.300 0.162 0.000 0.952 119 V CB 0.239 32.163 31.823 0.168 0.000 1.020 119 V HN -0.569 7.764 8.190 0.238 0.000 0.439 120 P HA 0.049 nan 4.420 nan 0.000 0.269 120 P C -0.329 177.050 177.300 0.131 0.000 1.215 120 P CA -0.409 62.772 63.100 0.135 0.000 0.780 120 P CB 0.612 32.378 31.700 0.109 0.000 0.898 121 A N 3.489 126.397 122.820 0.147 0.000 1.909 121 A HA -0.473 nan 4.320 nan 0.000 0.221 121 A C 2.099 179.745 177.584 0.102 0.000 1.223 121 A CA 3.610 55.725 52.037 0.130 0.000 0.658 121 A CB -0.586 18.504 19.000 0.150 0.000 0.831 121 A HN 0.660 8.916 8.150 0.176 0.000 0.462 122 E N -3.071 117.185 120.200 0.092 0.000 2.033 122 E HA -0.412 nan 4.350 nan 0.000 0.199 122 E C 2.252 178.896 176.600 0.073 0.000 1.011 122 E CA 3.417 59.860 56.400 0.073 0.000 0.815 122 E CB -0.468 29.266 29.700 0.057 0.000 0.755 122 E HN 0.383 8.801 8.360 0.096 0.000 0.451 123 T N 0.942 115.545 114.554 0.083 0.000 3.035 123 T HA -0.063 nan 4.350 nan 0.000 0.268 123 T C 2.500 177.251 174.700 0.084 0.000 1.109 123 T CA 2.739 64.889 62.100 0.083 0.000 1.119 123 T CB -0.759 68.167 68.868 0.096 0.000 0.900 123 T HN -0.500 7.794 8.240 0.089 0.000 0.503 124 I N 2.811 123.435 120.570 0.091 0.000 2.133 124 I HA -0.584 nan 4.170 nan 0.000 0.238 124 I C 0.896 177.055 176.117 0.070 0.000 1.074 124 I CA 4.315 65.667 61.300 0.087 0.000 1.342 124 I CB -0.333 37.727 38.000 0.099 0.000 1.053 124 I HN -0.183 8.062 8.210 0.098 0.024 0.404 125 N N -0.232 118.509 118.700 0.067 0.000 2.036 125 N HA -0.432 nan 4.740 nan 0.000 0.195 125 N C 2.244 177.784 175.510 0.049 0.000 1.037 125 N CA 3.889 56.972 53.050 0.055 0.000 0.855 125 N CB 0.250 38.768 38.487 0.053 0.000 1.033 125 N HN -0.050 8.374 8.380 0.074 0.000 0.423 126 R N -0.960 119.572 120.500 0.053 0.000 2.080 126 R HA -0.364 nan 4.340 nan 0.000 0.236 126 R C 1.917 178.245 176.300 0.048 0.000 1.137 126 R CA 3.344 59.473 56.100 0.049 0.000 0.943 126 R CB -0.277 30.053 30.300 0.050 0.000 0.846 126 R HN 0.455 8.760 8.270 0.058 0.000 0.431 127 A N -1.425 121.425 122.820 0.051 0.000 1.883 127 A HA -0.317 nan 4.320 nan 0.000 0.217 127 A C 2.390 180.000 177.584 0.043 0.000 1.186 127 A CA 3.106 55.172 52.037 0.048 0.000 0.624 127 A CB -0.870 18.161 19.000 0.052 0.000 0.822 127 A HN -0.460 7.723 8.150 0.056 0.000 0.444 128 N N -2.115 116.610 118.700 0.042 0.000 2.120 128 N HA -0.310 nan 4.740 nan 0.000 0.188 128 N C 2.193 177.720 175.510 0.027 0.000 1.024 128 N CA 2.787 55.856 53.050 0.032 0.000 0.852 128 N CB -0.506 37.999 38.487 0.031 0.000 1.003 128 N HN -0.274 8.134 8.380 0.047 0.000 0.424 129 K N 1.208 121.627 120.400 0.032 0.000 2.057 129 K HA -0.348 nan 4.320 nan 0.000 0.207 129 K C 2.144 178.766 176.600 0.037 0.000 1.049 129 K CA 3.487 59.792 56.287 0.029 0.000 0.931 129 K CB 0.022 32.541 32.500 0.033 0.000 0.714 129 K HN 0.272 8.342 8.250 0.037 0.203 0.440 130 E N -1.277 118.952 120.200 0.048 0.000 2.153 130 E HA -0.351 nan 4.350 nan 0.000 0.194 130 E C 2.302 178.939 176.600 0.061 0.000 0.988 130 E CA 2.808 59.247 56.400 0.065 0.000 0.811 130 E CB -0.249 29.486 29.700 0.058 0.000 0.746 130 E HN 0.212 8.414 8.360 0.045 0.185 0.466 131 A N -1.109 121.736 122.820 0.043 0.000 1.877 131 A HA -0.220 nan 4.320 nan 0.000 0.216 131 A C 1.526 179.124 177.584 0.022 0.000 1.186 131 A CA 3.182 55.240 52.037 0.035 0.000 0.620 131 A CB -0.487 18.527 19.000 0.023 0.000 0.822 131 A HN -0.183 7.903 8.150 0.039 0.088 0.443 132 S N -1.962 113.743 115.700 0.008 0.000 2.395 132 S HA -0.150 nan 4.470 nan 0.000 0.225 132 S C 1.652 176.232 174.600 -0.034 0.000 1.027 132 S CA 2.088 60.279 58.200 -0.014 0.000 0.965 132 S CB 0.370 63.559 63.200 -0.019 0.000 0.812 132 S HN -0.411 7.906 8.310 0.011 0.000 0.482 133 N N 1.201 119.891 118.700 -0.016 0.000 2.025 133 N HA -0.231 nan 4.740 nan 0.000 0.194 133 N C 0.168 175.529 175.510 -0.248 0.000 1.044 133 N CA 2.535 55.537 53.050 -0.081 0.000 0.851 133 N CB 0.592 39.121 38.487 0.070 0.000 1.036 133 N HN -0.037 8.121 8.380 0.021 0.235 0.422 134 H N -1.969 117.104 119.070 0.005 0.000 2.906 134 H HA 0.333 nan 4.556 nan 0.000 0.324 134 H C -2.402 172.929 175.328 0.004 0.000 0.973 134 H CA -2.277 53.773 56.048 0.004 0.000 1.321 134 H CB 1.398 31.163 29.762 0.005 0.000 1.535 134 H HN -0.601 7.764 8.280 0.142 0.000 0.518 135 P HA -0.010 nan 4.420 nan 0.000 0.271 135 P C -1.654 175.687 177.300 0.069 0.000 1.220 135 P CA -0.100 63.031 63.100 0.052 0.000 0.768 135 P CB 0.482 32.193 31.700 0.018 0.000 0.848 136 D N 2.891 123.325 120.400 0.057 0.000 2.751 136 D HA -0.024 nan 4.640 nan 0.000 0.236 136 D C -0.047 176.278 176.300 0.041 0.000 1.196 136 D CA -0.026 54.002 54.000 0.047 0.000 0.741 136 D CB 1.461 42.290 40.800 0.048 0.000 1.474 136 D HN -0.411 7.991 8.370 0.053 0.000 0.452 137 Q N 1.425 121.245 119.800 0.032 0.000 2.224 137 Q HA -0.200 nan 4.340 nan 0.000 0.203 137 Q C -0.054 175.961 176.000 0.024 0.000 0.970 137 Q CA 2.174 57.995 55.803 0.031 0.000 0.865 137 Q CB 0.250 29.001 28.738 0.022 0.000 0.922 137 Q HN 0.138 8.425 8.270 0.028 0.000 0.445 138 Q N -1.471 118.340 119.800 0.019 0.000 2.354 138 Q HA -0.237 nan 4.340 nan 0.000 0.310 138 Q C -0.863 175.144 176.000 0.012 0.000 1.104 138 Q CA 0.904 56.713 55.803 0.010 0.000 0.968 138 Q CB 0.443 29.183 28.738 0.004 0.000 1.251 138 Q HN -0.264 8.159 8.270 0.020 -0.141 0.411 139 S N 2.461 118.163 115.700 0.003 0.000 2.592 139 S HA 0.351 nan 4.470 nan 0.000 0.271 139 S C -0.744 173.859 174.600 0.005 0.000 1.326 139 S CA 0.095 58.295 58.200 0.001 0.000 1.024 139 S CB 0.785 63.979 63.200 -0.010 0.000 0.921 139 S HN 0.107 8.416 8.310 -0.002 0.000 0.527 140 I N 2.444 123.020 120.570 0.009 0.000 2.474 140 I HA 0.324 nan 4.170 nan 0.000 0.294 140 I C -2.137 173.986 176.117 0.009 0.000 1.005 140 I CA -0.546 60.763 61.300 0.014 0.000 1.113 140 I CB 2.466 40.482 38.000 0.026 0.000 1.289 140 I HN 0.115 8.330 8.210 0.008 0.000 0.436 141 V N 6.688 126.607 119.914 0.008 0.000 2.656 141 V HA 0.661 nan 4.120 nan 0.000 0.307 141 V C -1.711 174.392 176.094 0.014 0.000 1.051 141 V CA -1.769 60.534 62.300 0.004 0.000 0.893 141 V CB 2.347 34.165 31.823 -0.008 0.000 0.999 141 V HN 0.131 8.327 8.190 0.010 0.000 0.426 142 V N 7.642 127.569 119.914 0.022 0.000 2.588 142 V HA 0.393 nan 4.120 nan 0.000 0.304 142 V C -1.911 174.205 176.094 0.037 0.000 1.042 142 V CA -1.210 61.111 62.300 0.035 0.000 0.877 142 V CB 3.557 35.409 31.823 0.049 0.000 0.996 142 V HN 0.605 8.806 8.190 0.020 0.000 0.425 143 E N 6.372 126.598 120.200 0.043 0.000 2.052 143 E HA 0.178 nan 4.350 nan 0.000 0.283 143 E C 0.261 176.919 176.600 0.096 0.000 1.071 143 E CA -1.055 55.379 56.400 0.057 0.000 0.851 143 E CB 0.697 30.438 29.700 0.068 0.000 1.066 143 E HN 0.476 8.861 8.360 0.042 0.000 0.396 144 A N 8.120 131.012 122.820 0.120 0.000 2.070 144 A HA -0.190 nan 4.320 nan 0.000 0.220 144 A C 0.944 178.630 177.584 0.169 0.000 1.159 144 A CA 2.551 54.677 52.037 0.148 0.000 0.656 144 A CB -0.471 18.642 19.000 0.188 0.000 0.800 144 A HN 0.819 8.937 8.150 0.109 0.097 0.453 145 E N -2.108 118.223 120.200 0.219 0.000 2.233 145 E HA -0.239 nan 4.350 nan 0.000 0.199 145 E C 0.014 176.697 176.600 0.139 0.000 1.004 145 E CA 1.083 57.620 56.400 0.228 0.000 0.819 145 E CB 0.142 30.012 29.700 0.283 0.000 0.738 145 E HN 0.099 8.559 8.360 0.235 0.041 0.478 146 E N -3.461 116.798 120.200 0.099 0.000 8.077 146 E HA -0.289 nan 4.350 nan 0.000 0.162 146 E C -1.088 175.532 176.600 0.032 0.000 1.458 146 E CA 0.845 57.278 56.400 0.055 0.000 2.527 146 E CB -0.019 29.703 29.700 0.037 0.000 1.500 146 E HN -0.262 8.122 8.360 0.105 0.039 0.455 147 T N -0.142 114.415 114.554 0.005 0.000 3.109 147 T HA 0.550 nan 4.350 nan 0.000 0.311 147 T C -1.069 173.607 174.700 -0.039 0.000 1.011 147 T CA 0.061 62.152 62.100 -0.015 0.000 1.026 147 T CB 1.846 70.709 68.868 -0.008 0.000 1.047 147 T HN 0.431 8.671 8.240 -0.001 0.000 0.448 148 G N 1.891 110.647 108.800 -0.073 0.000 2.684 148 G HA2 0.132 nan 3.960 nan 0.000 0.290 148 G HA3 0.132 nan 3.960 nan 0.000 0.290 148 G C -2.167 172.661 174.900 -0.120 0.000 1.425 148 G CA -0.045 44.997 45.100 -0.097 0.000 0.822 148 G HN -0.234 8.007 8.290 -0.082 0.000 0.482 149 N N 0.014 118.652 118.700 -0.104 0.000 2.472 149 N HA 0.052 nan 4.740 nan 0.000 0.277 149 N C -0.115 175.307 175.510 -0.147 0.000 1.081 149 N CA -0.410 52.580 53.050 -0.099 0.000 0.973 149 N CB 0.963 39.415 38.487 -0.058 0.000 1.105 149 N HN -0.010 8.318 8.380 -0.087 0.000 0.470 150 I N 5.341 125.812 120.570 -0.164 0.000 2.276 150 I HA 0.044 nan 4.170 nan 0.000 0.290 150 I C -0.003 176.058 176.117 -0.093 0.000 1.109 150 I CA -0.024 61.141 61.300 -0.224 0.000 1.229 150 I CB -0.314 37.527 38.000 -0.265 0.000 1.452 150 I HN 0.298 8.436 8.210 -0.121 0.000 0.497 151 L N 6.118 127.309 121.223 -0.053 0.000 2.068 151 L HA -0.105 nan 4.340 nan 0.000 0.204 151 L C 0.415 177.304 176.870 0.032 0.000 1.076 151 L CA 1.437 56.275 54.840 -0.003 0.000 0.753 151 L CB -0.298 41.766 42.059 0.009 0.000 0.910 151 L HN 0.191 8.381 8.230 -0.066 0.000 0.439 152 D N -1.682 118.759 120.400 0.068 0.000 2.210 152 D HA 0.283 nan 4.640 nan 0.000 0.249 152 D C -0.851 175.533 176.300 0.140 0.000 1.078 152 D CA -2.583 51.481 54.000 0.107 0.000 0.875 152 D CB 1.204 42.089 40.800 0.141 0.000 1.175 152 D HN -0.547 7.863 8.370 0.066 0.000 0.440 153 P HA -0.081 nan 4.420 nan 0.000 0.226 153 P C 0.507 177.884 177.300 0.129 0.000 1.153 153 P CA 1.272 64.438 63.100 0.111 0.000 0.777 153 P CB 0.320 32.061 31.700 0.069 0.000 0.794 154 E N -0.517 119.768 120.200 0.142 0.000 2.265 154 E HA -0.276 nan 4.350 nan 0.000 0.196 154 E C 1.486 178.170 176.600 0.140 0.000 0.996 154 E CA 2.244 58.722 56.400 0.131 0.000 0.832 154 E CB -0.614 29.183 29.700 0.161 0.000 0.756 154 E HN -0.281 8.419 8.360 0.144 -0.254 0.491 155 Y N 0.562 120.918 120.300 0.092 0.000 2.256 155 Y HA -0.381 nan 4.550 nan 0.000 0.288 155 Y C 1.579 177.531 175.900 0.087 0.000 1.155 155 Y CA 3.292 61.451 58.100 0.099 0.000 1.203 155 Y CB 0.035 38.544 38.460 0.082 0.000 0.980 155 Y HN -0.496 7.828 8.280 0.313 0.144 0.530 156 K N -2.191 118.299 120.400 0.151 0.000 2.103 156 K HA -0.341 nan 4.320 nan 0.000 0.207 156 K C 2.339 178.947 176.600 0.014 0.000 1.048 156 K CA 2.311 58.673 56.287 0.125 0.000 0.930 156 K CB -0.847 31.725 32.500 0.119 0.000 0.716 156 K HN -0.252 7.963 8.250 0.198 0.154 0.444 157 L N -2.285 118.853 121.223 -0.142 0.000 2.376 157 L HA -0.165 nan 4.340 nan 0.000 0.219 157 L C 1.452 178.045 176.870 -0.461 0.000 1.133 157 L CA 1.382 55.995 54.840 -0.378 0.000 0.816 157 L CB -0.842 41.087 42.059 -0.218 0.000 0.933 157 L HN -0.453 7.603 8.230 -0.067 0.134 0.449 158 S N 0.904 116.406 115.700 -0.331 0.000 2.402 158 S HA -0.398 nan 4.470 nan 0.000 0.233 158 S C 1.767 176.259 174.600 -0.180 0.000 1.030 158 S CA 3.894 61.929 58.200 -0.274 0.000 1.003 158 S CB -0.330 62.565 63.200 -0.509 0.000 0.813 158 S HN 0.087 8.007 8.310 -0.335 0.189 0.477 159 Y N -0.556 119.726 120.300 -0.031 0.000 2.181 159 Y HA -0.364 nan 4.550 nan 0.000 0.288 159 Y C 1.085 177.050 175.900 0.109 0.000 1.146 159 Y CA 1.697 59.828 58.100 0.051 0.000 1.164 159 Y CB -0.968 37.531 38.460 0.066 0.000 0.982 159 Y HN -0.780 7.386 8.280 -0.154 0.022 0.515 160 F N 0.288 119.855 119.950 -0.639 0.000 2.098 160 F HA -0.241 nan 4.527 nan 0.000 0.294 160 F C 2.350 178.084 175.800 -0.110 0.000 1.107 160 F CA 2.839 60.689 58.000 -0.249 0.000 1.234 160 F CB 0.627 39.419 39.000 -0.345 0.000 1.002 160 F HN -0.345 7.112 8.300 -1.236 0.102 0.472 161 R N -1.622 118.950 120.500 0.119 0.000 2.075 161 R HA -0.268 nan 4.340 nan 0.000 0.232 161 R C 1.843 178.087 176.300 -0.093 0.000 1.126 161 R CA 2.810 58.967 56.100 0.095 0.000 0.963 161 R CB -0.123 30.232 30.300 0.092 0.000 0.858 161 R HN -0.217 8.088 8.270 0.058 0.000 0.435 162 E N -3.776 116.379 120.200 -0.075 0.000 2.427 162 E HA -0.022 nan 4.350 nan 0.000 0.196 162 E C -0.531 176.022 176.600 -0.078 0.000 1.028 162 E CA 0.339 56.703 56.400 -0.060 0.000 0.864 162 E CB 0.347 30.044 29.700 -0.004 0.000 0.813 162 E HN -0.372 7.834 8.360 -0.064 0.115 0.514 163 D N 0.441 120.777 120.400 -0.107 0.000 2.525 163 D HA -0.152 nan 4.640 nan 0.000 0.235 163 D C 0.579 176.826 176.300 -0.088 0.000 1.137 163 D CA 0.818 54.770 54.000 -0.079 0.000 0.868 163 D CB 0.910 41.659 40.800 -0.085 0.000 1.180 163 D HN -0.909 7.204 8.370 -0.148 0.167 0.465 164 I N 6.214 126.741 120.570 -0.071 0.000 2.252 164 I HA -0.226 nan 4.170 nan 0.000 0.245 164 I C 1.055 177.223 176.117 0.085 0.000 1.102 164 I CA 2.952 64.289 61.300 0.062 0.000 1.385 164 I CB 0.500 38.405 38.000 -0.159 0.000 1.064 164 I HN 0.425 8.551 8.210 -0.140 0.000 0.414 165 G N -0.893 107.908 108.800 0.003 0.000 2.418 165 G HA2 -0.283 nan 3.960 nan 0.000 0.217 165 G HA3 -0.283 nan 3.960 nan 0.000 0.217 165 G C 1.391 176.211 174.900 -0.134 0.000 1.158 165 G CA 2.247 47.336 45.100 -0.018 0.000 0.771 165 G HN -0.226 8.266 8.290 0.009 -0.197 0.545 166 I N 2.164 122.547 120.570 -0.313 0.000 2.179 166 I HA -0.460 nan 4.170 nan 0.000 0.242 166 I C 1.772 177.778 176.117 -0.185 0.000 1.088 166 I CA 2.663 63.651 61.300 -0.520 0.000 1.357 166 I CB -1.036 36.556 38.000 -0.681 0.000 1.051 166 I HN -0.364 7.938 8.210 -0.271 -0.254 0.409 167 N N -0.076 118.577 118.700 -0.080 0.000 2.120 167 N HA -0.293 nan 4.740 nan 0.000 0.188 167 N C 2.201 177.825 175.510 0.189 0.000 1.024 167 N CA 3.472 56.529 53.050 0.011 0.000 0.852 167 N CB -0.359 38.062 38.487 -0.110 0.000 1.003 167 N HN -0.590 7.722 8.380 -0.114 0.000 0.424 168 A N -0.006 122.974 122.820 0.266 0.000 1.902 168 A HA -0.270 nan 4.320 nan 0.000 0.217 168 A C 1.842 179.595 177.584 0.283 0.000 1.181 168 A CA 3.059 55.254 52.037 0.263 0.000 0.623 168 A CB -0.729 18.431 19.000 0.267 0.000 0.818 168 A HN -0.151 8.038 8.150 0.234 0.102 0.443 169 H N 0.191 119.408 119.070 0.245 0.000 2.321 169 H HA -0.405 nan 4.556 nan 0.000 0.300 169 H C 1.798 177.365 175.328 0.398 0.000 1.087 169 H CA 3.999 60.252 56.048 0.341 0.000 1.319 169 H CB 0.090 29.940 29.762 0.147 0.000 1.379 169 H HN -0.084 8.372 8.280 0.294 0.000 0.501 170 H N -0.404 118.807 119.070 0.235 0.000 2.387 170 H HA -0.364 nan 4.556 nan 0.000 0.299 170 H C 2.555 178.100 175.328 0.362 0.000 1.090 170 H CA 3.195 59.387 56.048 0.241 0.000 1.332 170 H CB 0.347 30.229 29.762 0.199 0.000 1.386 170 H HN -0.451 8.079 8.280 0.416 0.000 0.516 171 W N 0.386 121.741 121.300 0.091 0.000 2.355 171 W HA -0.413 nan 4.660 nan 0.000 0.309 171 W C 1.605 178.101 176.519 -0.039 0.000 1.206 171 W CA 4.135 61.469 57.345 -0.019 0.000 1.284 171 W CB -0.325 29.040 29.460 -0.158 0.000 1.145 171 W HN -0.200 8.240 8.180 0.434 0.000 0.502 172 H N -2.464 116.798 119.070 0.319 0.000 2.387 172 H HA -0.363 nan 4.556 nan 0.000 0.299 172 H C 2.214 177.554 175.328 0.020 0.000 1.090 172 H CA 4.232 60.375 56.048 0.158 0.000 1.332 172 H CB -0.261 29.602 29.762 0.169 0.000 1.386 172 H HN -0.309 7.969 8.280 0.121 0.075 0.516 173 W N 0.286 121.533 121.300 -0.088 0.000 2.358 173 W HA -0.455 nan 4.660 nan 0.000 0.303 173 W C 1.782 178.269 176.519 -0.053 0.000 1.208 173 W CA 4.908 62.184 57.345 -0.115 0.000 1.274 173 W CB -0.121 29.171 29.460 -0.281 0.000 1.138 173 W HN 0.533 8.804 8.180 0.151 0.000 0.515 174 H N -2.839 116.404 119.070 0.288 0.000 2.421 174 H HA -0.313 nan 4.556 nan 0.000 0.298 174 H C 2.506 177.809 175.328 -0.042 0.000 1.087 174 H CA 4.334 60.505 56.048 0.206 0.000 1.330 174 H CB -0.218 29.597 29.762 0.089 0.000 1.388 174 H HN -0.658 7.796 8.280 0.292 0.000 0.526 175 I N -0.787 119.711 120.570 -0.121 0.000 2.252 175 I HA -0.314 nan 4.170 nan 0.000 0.245 175 I C 1.633 177.698 176.117 -0.087 0.000 1.102 175 I CA 2.690 63.882 61.300 -0.179 0.000 1.385 175 I CB -0.238 37.627 38.000 -0.226 0.000 1.064 175 I HN -0.725 7.275 8.210 -0.147 0.122 0.414 176 V N -4.423 115.360 119.914 -0.218 0.000 2.427 176 V HA -0.218 nan 4.120 nan 0.000 0.248 176 V C 0.185 175.838 176.094 -0.736 0.000 1.051 176 V CA 2.876 64.919 62.300 -0.428 0.000 1.048 176 V CB 0.041 31.548 31.823 -0.527 0.000 0.666 176 V HN -0.551 7.434 8.190 -0.195 0.087 0.456 177 Y N -1.743 118.211 120.300 -0.575 0.000 2.842 177 Y HA 0.455 nan 4.550 nan 0.000 0.334 177 Y C -2.355 173.397 175.900 -0.247 0.000 1.019 177 Y CA -3.166 54.597 58.100 -0.562 0.000 1.258 177 Y CB -0.014 37.930 38.460 -0.861 0.000 1.106 177 Y HN -0.299 7.671 8.280 -0.516 0.000 0.545 178 P HA 0.075 nan 4.420 nan 0.000 0.278 178 P C -0.270 177.141 177.300 0.185 0.000 1.238 178 P CA -0.737 62.469 63.100 0.176 0.000 0.794 178 P CB 0.421 32.219 31.700 0.163 0.000 0.955 179 A N 3.538 126.470 122.820 0.188 0.000 1.930 179 A HA -0.205 nan 4.320 nan 0.000 0.217 179 A C 1.076 178.725 177.584 0.109 0.000 1.175 179 A CA 3.128 55.245 52.037 0.133 0.000 0.627 179 A CB -0.478 18.578 19.000 0.093 0.000 0.815 179 A HN 0.570 8.848 8.150 0.213 0.000 0.443 180 T N -5.807 108.809 114.554 0.105 0.000 3.035 180 T HA -0.204 nan 4.350 nan 0.000 0.268 180 T C 0.851 175.587 174.700 0.061 0.000 1.109 180 T CA 0.135 62.284 62.100 0.082 0.000 1.119 180 T CB -0.451 68.494 68.868 0.128 0.000 0.900 180 T HN 0.019 8.301 8.240 0.114 0.026 0.503 181 W N 3.505 124.731 121.300 -0.123 0.000 2.513 181 W HA -0.383 nan 4.660 nan 0.000 0.339 181 W C -1.773 174.669 176.519 -0.128 0.000 1.257 181 W CA 1.289 58.522 57.345 -0.188 0.000 1.280 181 W CB -0.176 29.175 29.460 -0.182 0.000 1.214 181 W HN -0.748 7.375 8.180 0.235 0.198 0.567 182 N N 8.029 126.380 118.700 -0.581 0.000 2.479 182 N HA 0.341 nan 4.740 nan 0.000 0.261 182 N C -1.662 173.472 175.510 -0.625 0.000 0.979 182 N CA -3.078 49.731 53.050 -0.402 0.000 0.930 182 N CB 1.990 40.306 38.487 -0.286 0.000 1.172 182 N HN -0.057 7.796 8.380 -0.877 0.000 0.499 183 P HA -0.057 nan 4.420 nan 0.000 0.221 183 P C 0.857 178.057 177.300 -0.167 0.000 1.150 183 P CA 1.753 64.758 63.100 -0.158 0.000 0.800 183 P CB 0.453 32.234 31.700 0.134 0.000 0.787 184 T N -4.954 109.515 114.554 -0.143 0.000 2.737 184 T HA -0.238 nan 4.350 nan 0.000 0.265 184 T C 1.550 176.159 174.700 -0.151 0.000 1.038 184 T CA 3.032 65.069 62.100 -0.106 0.000 1.144 184 T CB -0.526 68.297 68.868 -0.074 0.000 0.866 184 T HN 0.333 8.771 8.240 -0.137 -0.280 0.434 185 V N 1.473 121.254 119.914 -0.223 0.000 2.261 185 V HA -0.282 nan 4.120 nan 0.000 0.246 185 V C 1.945 177.870 176.094 -0.283 0.000 1.047 185 V CA 2.791 64.955 62.300 -0.228 0.000 1.015 185 V CB -0.240 31.427 31.823 -0.259 0.000 0.642 185 V HN -0.491 7.760 8.190 -0.239 -0.205 0.446 186 M N -2.421 116.893 119.600 -0.477 0.000 2.132 186 M HA -0.151 nan 4.480 nan 0.000 0.263 186 M C 1.439 177.603 176.300 -0.226 0.000 1.065 186 M CA 1.411 56.415 55.300 -0.494 0.000 1.122 186 M CB 0.366 32.452 32.600 -0.858 0.000 1.365 186 M HN -0.309 7.615 8.290 -0.610 0.000 0.411 187 G N -3.191 105.509 108.800 -0.166 0.000 2.345 187 G HA2 -0.397 nan 3.960 nan 0.000 0.218 187 G HA3 -0.397 nan 3.960 nan 0.000 0.218 187 G C -1.638 173.268 174.900 0.010 0.000 1.058 187 G CA 0.375 45.441 45.100 -0.057 0.000 0.632 187 G HN 0.132 8.086 8.290 -0.223 0.202 0.508 188 K N 0.834 121.266 120.400 0.053 0.000 2.087 188 K HA 0.165 nan 4.320 nan 0.000 0.255 188 K C -1.307 175.479 176.600 0.310 0.000 0.988 188 K CA -1.298 55.086 56.287 0.162 0.000 0.915 188 K CB 1.011 33.630 32.500 0.197 0.000 1.043 188 K HN -0.289 7.860 8.250 -0.003 0.098 0.457 189 E N -0.929 119.423 120.200 0.254 0.000 2.277 189 E HA 0.209 nan 4.350 nan 0.000 0.266 189 E C -0.890 175.756 176.600 0.078 0.000 0.901 189 E CA -1.973 54.599 56.400 0.287 0.000 0.782 189 E CB 2.197 32.009 29.700 0.187 0.000 1.228 189 E HN 0.045 8.505 8.360 0.166 0.000 0.424 190 K N 1.120 121.450 120.400 -0.117 0.000 2.262 190 K HA 0.136 nan 4.320 nan 0.000 0.282 190 K C -0.663 175.943 176.600 0.010 0.000 1.066 190 K CA -1.501 54.656 56.287 -0.216 0.000 0.901 190 K CB 0.208 32.431 32.500 -0.462 0.000 1.089 190 K HN 0.386 8.593 8.250 -0.072 0.000 0.476 191 D N 4.158 124.598 120.400 0.066 0.000 2.425 191 D HA -0.081 nan 4.640 nan 0.000 0.247 191 D C 0.119 176.482 176.300 0.104 0.000 1.147 191 D CA 1.090 55.145 54.000 0.092 0.000 0.879 191 D CB 0.342 41.203 40.800 0.101 0.000 1.179 191 D HN 0.142 8.540 8.370 0.046 0.000 0.456 192 R N -0.291 120.249 120.500 0.067 0.000 3.416 192 R HA -0.506 nan 4.340 nan 0.000 0.263 192 R C 0.658 176.967 176.300 0.014 0.000 1.053 192 R CA 0.985 57.104 56.100 0.031 0.000 0.705 192 R CB -2.267 28.021 30.300 -0.020 0.000 1.124 192 R HN 0.738 9.049 8.270 0.069 0.000 0.444 193 K N -1.560 118.868 120.400 0.047 0.000 2.097 193 K HA -0.223 nan 4.320 nan 0.000 0.205 193 K C 1.669 178.310 176.600 0.069 0.000 1.050 193 K CA 2.782 59.067 56.287 -0.004 0.000 0.938 193 K CB -0.638 31.942 32.500 0.134 0.000 0.718 193 K HN -0.357 7.936 8.250 0.071 0.000 0.442 194 G N -0.672 108.192 108.800 0.106 0.000 2.418 194 G HA2 -0.322 nan 3.960 nan 0.000 0.217 194 G HA3 -0.322 nan 3.960 nan 0.000 0.217 194 G C 0.875 175.905 174.900 0.217 0.000 1.158 194 G CA 2.049 47.245 45.100 0.159 0.000 0.771 194 G HN -0.164 8.337 8.290 0.085 -0.161 0.545 195 E N 1.591 121.869 120.200 0.130 0.000 2.106 195 E HA -0.185 nan 4.350 nan 0.000 0.192 195 E C 1.890 178.594 176.600 0.172 0.000 0.984 195 E CA 2.184 58.663 56.400 0.133 0.000 0.806 195 E CB -0.248 29.471 29.700 0.031 0.000 0.750 195 E HN -0.608 7.900 8.360 0.083 -0.098 0.458 196 L N 0.027 121.303 121.223 0.089 0.000 2.083 196 L HA -0.334 nan 4.340 nan 0.000 0.209 196 L C 1.258 178.271 176.870 0.239 0.000 1.083 196 L CA 3.142 58.042 54.840 0.100 0.000 0.752 196 L CB -0.285 41.710 42.059 -0.107 0.000 0.899 196 L HN -0.039 8.134 8.230 0.030 0.075 0.433 197 F N 0.694 120.766 119.950 0.204 0.000 2.095 197 F HA -0.482 nan 4.527 nan 0.000 0.298 197 F C 1.163 176.970 175.800 0.011 0.000 1.104 197 F CA 4.171 62.293 58.000 0.204 0.000 1.232 197 F CB -0.064 39.064 39.000 0.213 0.000 0.987 197 F HN 0.221 8.683 8.300 0.407 0.082 0.475 198 F N 0.263 120.114 119.950 -0.166 0.000 2.102 198 F HA -0.484 nan 4.527 nan 0.000 0.298 198 F C 0.801 176.349 175.800 -0.420 0.000 1.105 198 F CA 3.731 61.364 58.000 -0.612 0.000 1.239 198 F CB -0.103 38.431 39.000 -0.777 0.000 0.991 198 F HN -0.477 7.939 8.300 0.331 0.083 0.474 199 Y N -0.114 119.839 120.300 -0.577 0.000 2.163 199 Y HA -0.530 nan 4.550 nan 0.000 0.288 199 Y C 1.515 177.057 175.900 -0.597 0.000 1.136 199 Y CA 3.804 61.539 58.100 -0.609 0.000 1.147 199 Y CB 0.108 38.459 38.460 -0.181 0.000 0.987 199 Y HN 0.081 8.332 8.280 0.080 0.077 0.509 200 M N -0.752 118.524 119.600 -0.540 0.000 2.086 200 M HA -0.469 nan 4.480 nan 0.000 0.261 200 M C 1.910 177.676 176.300 -0.890 0.000 1.067 200 M CA 2.734 57.574 55.300 -0.766 0.000 1.116 200 M CB -0.413 31.594 32.600 -0.988 0.000 1.348 200 M HN 0.330 8.445 8.290 -0.292 0.000 0.407 201 H N -1.639 116.935 119.070 -0.828 0.000 2.389 201 H HA -0.265 nan 4.556 nan 0.000 0.299 201 H C 2.503 177.522 175.328 -0.514 0.000 1.081 201 H CA 4.617 60.314 56.048 -0.585 0.000 1.345 201 H CB -0.334 29.106 29.762 -0.536 0.000 1.393 201 H HN -0.498 7.348 8.280 -0.725 0.000 0.520 202 Q N -0.562 118.848 119.800 -0.651 0.000 2.084 202 Q HA -0.354 nan 4.340 nan 0.000 0.202 202 Q C 2.393 178.080 176.000 -0.522 0.000 0.978 202 Q CA 3.329 58.771 55.803 -0.602 0.000 0.844 202 Q CB -0.350 27.823 28.738 -0.942 0.000 0.898 202 Q HN -0.194 7.446 8.270 -0.881 0.101 0.426 203 Q N -0.687 118.653 119.800 -0.767 0.000 2.124 203 Q HA -0.272 nan 4.340 nan 0.000 0.202 203 Q C 2.639 178.314 176.000 -0.541 0.000 0.977 203 Q CA 2.699 58.059 55.803 -0.739 0.000 0.850 203 Q CB -0.314 27.730 28.738 -1.158 0.000 0.901 203 Q HN 0.019 7.692 8.270 -0.996 0.000 0.429 204 M N -0.082 119.241 119.600 -0.463 0.000 2.117 204 M HA -0.393 nan 4.480 nan 0.000 0.262 204 M C 2.304 178.655 176.300 0.084 0.000 1.065 204 M CA 4.387 59.611 55.300 -0.127 0.000 1.114 204 M CB -0.080 32.523 32.600 0.005 0.000 1.361 204 M HN -0.141 7.734 8.290 -0.570 0.072 0.408 205 C N -1.008 118.325 119.300 0.055 0.000 2.446 205 C HA -0.341 nan 4.460 nan 0.000 0.277 205 C C 1.828 176.848 174.990 0.050 0.000 1.275 205 C CA 4.041 63.160 59.018 0.168 0.000 1.727 205 C CB -2.107 25.708 27.740 0.125 0.000 2.010 205 C HN -0.109 8.091 8.230 -0.050 0.000 0.486 206 A N -0.032 122.742 122.820 -0.077 0.000 1.902 206 A HA -0.339 nan 4.320 nan 0.000 0.217 206 A C 1.933 179.452 177.584 -0.109 0.000 1.181 206 A CA 3.371 55.348 52.037 -0.100 0.000 0.623 206 A CB -0.952 17.966 19.000 -0.136 0.000 0.818 206 A HN 0.572 8.465 8.150 -0.143 0.171 0.443 207 R N -1.965 118.461 120.500 -0.123 0.000 2.096 207 R HA -0.352 nan 4.340 nan 0.000 0.235 207 R C 2.269 178.409 176.300 -0.266 0.000 1.127 207 R CA 3.165 59.200 56.100 -0.109 0.000 0.968 207 R CB -0.047 30.263 30.300 0.015 0.000 0.861 207 R HN 0.228 8.294 8.270 -0.149 0.116 0.440 208 Y N 1.061 121.078 120.300 -0.472 0.000 2.181 208 Y HA -0.426 nan 4.550 nan 0.000 0.288 208 Y C 1.377 176.966 175.900 -0.519 0.000 1.146 208 Y CA 3.247 60.864 58.100 -0.804 0.000 1.164 208 Y CB -0.095 37.872 38.460 -0.822 0.000 0.982 208 Y HN -0.101 8.063 8.280 -0.056 0.083 0.515 209 D N -1.688 118.544 120.400 -0.282 0.000 2.178 209 D HA -0.340 nan 4.640 nan 0.000 0.201 209 D C 2.620 178.762 176.300 -0.263 0.000 0.980 209 D CA 3.334 57.178 54.000 -0.259 0.000 0.842 209 D CB -0.834 39.899 40.800 -0.112 0.000 0.948 209 D HN 0.190 8.432 8.370 -0.100 0.068 0.472 210 S N -1.240 114.339 115.700 -0.201 0.000 2.423 210 S HA -0.246 nan 4.470 nan 0.000 0.231 210 S C 1.921 176.464 174.600 -0.096 0.000 1.014 210 S CA 3.441 61.598 58.200 -0.072 0.000 0.965 210 S CB -0.240 62.965 63.200 0.008 0.000 0.785 210 S HN -0.302 7.803 8.310 -0.194 0.089 0.495 211 E N 1.451 121.479 120.200 -0.285 0.000 2.072 211 E HA -0.259 nan 4.350 nan 0.000 0.191 211 E C 2.605 179.045 176.600 -0.267 0.000 0.985 211 E CA 2.827 59.075 56.400 -0.252 0.000 0.801 211 E CB -0.455 28.952 29.700 -0.490 0.000 0.750 211 E HN -0.507 7.456 8.360 -0.441 0.132 0.452 212 R N -0.584 119.646 120.500 -0.450 0.000 2.081 212 R HA -0.280 nan 4.340 nan 0.000 0.235 212 R C 2.728 178.926 176.300 -0.170 0.000 1.131 212 R CA 3.313 59.209 56.100 -0.339 0.000 0.960 212 R CB -0.135 29.941 30.300 -0.373 0.000 0.856 212 R HN -0.458 7.356 8.270 -0.634 0.076 0.436 213 L N -1.174 119.967 121.223 -0.137 0.000 2.083 213 L HA -0.269 nan 4.340 nan 0.000 0.209 213 L C 2.732 179.579 176.870 -0.039 0.000 1.083 213 L CA 3.117 57.909 54.840 -0.080 0.000 0.752 213 L CB -0.573 41.440 42.059 -0.077 0.000 0.899 213 L HN -0.047 8.079 8.230 -0.172 0.000 0.433 214 S N 0.611 116.322 115.700 0.019 0.000 2.382 214 S HA -0.379 nan 4.470 nan 0.000 0.228 214 S C 1.632 176.243 174.600 0.019 0.000 1.027 214 S CA 3.961 62.209 58.200 0.078 0.000 0.991 214 S CB -0.430 62.852 63.200 0.138 0.000 0.823 214 S HN -0.017 8.190 8.310 0.003 0.104 0.469 215 N N -0.937 117.756 118.700 -0.010 0.000 2.331 215 N HA -0.206 nan 4.740 nan 0.000 0.180 215 N C 0.675 176.168 175.510 -0.027 0.000 1.019 215 N CA 1.395 54.436 53.050 -0.015 0.000 0.881 215 N CB 0.424 38.892 38.487 -0.031 0.000 0.972 215 N HN -0.223 8.034 8.380 -0.032 0.104 0.435 216 G N -2.686 106.088 108.800 -0.044 0.000 2.144 216 G HA2 -0.375 nan 3.960 nan 0.000 0.218 216 G HA3 -0.375 nan 3.960 nan 0.000 0.218 216 G C -0.877 173.996 174.900 -0.044 0.000 0.988 216 G CA -0.089 44.983 45.100 -0.046 0.000 0.659 216 G HN -0.340 7.733 8.290 -0.051 0.187 0.522 217 L N -0.786 120.403 121.223 -0.057 0.000 2.375 217 L HA 0.184 nan 4.340 nan 0.000 0.268 217 L C -0.886 175.947 176.870 -0.061 0.000 1.058 217 L CA -1.050 53.757 54.840 -0.054 0.000 0.803 217 L CB 1.519 43.537 42.059 -0.068 0.000 1.212 217 L HN 0.038 8.087 8.230 -0.070 0.140 0.451 218 Q N -2.326 117.450 119.800 -0.041 0.000 2.318 218 Q HA 0.090 nan 4.340 nan 0.000 0.222 218 Q C -0.354 175.619 176.000 -0.044 0.000 1.003 218 Q CA -0.710 55.071 55.803 -0.037 0.000 0.936 218 Q CB 1.391 30.119 28.738 -0.016 0.000 1.204 218 Q HN -0.038 8.216 8.270 -0.027 0.000 0.524 219 R N -0.806 119.671 120.500 -0.038 0.000 2.641 219 R HA -0.066 nan 4.340 nan 0.000 0.269 219 R C 0.108 176.419 176.300 0.019 0.000 1.074 219 R CA 0.076 56.157 56.100 -0.031 0.000 1.133 219 R CB 0.598 30.880 30.300 -0.029 0.000 1.029 219 R HN -0.262 8.183 8.270 -0.037 -0.197 0.488 220 M N 1.513 121.153 119.600 0.067 0.000 2.248 220 M HA -0.068 nan 4.480 nan 0.000 0.337 220 M C 0.488 176.852 176.300 0.105 0.000 1.121 220 M CA 0.285 55.663 55.300 0.129 0.000 1.155 220 M CB 0.582 33.317 32.600 0.226 0.000 1.514 220 M HN 0.082 8.593 8.290 0.062 -0.183 0.452 221 I N 2.850 123.487 120.570 0.111 0.000 2.525 221 I HA 0.449 nan 4.170 nan 0.000 0.301 221 I C -1.782 174.416 176.117 0.135 0.000 0.992 221 I CA -3.488 57.870 61.300 0.098 0.000 1.162 221 I CB 1.821 39.867 38.000 0.076 0.000 1.332 221 I HN -0.044 8.241 8.210 0.125 0.000 0.458 222 P HA 0.085 nan 4.420 nan 0.000 0.274 222 P C -1.419 176.010 177.300 0.215 0.000 1.231 222 P CA -0.867 62.346 63.100 0.189 0.000 0.790 222 P CB 0.600 32.412 31.700 0.186 0.000 0.951 223 F N 4.014 124.008 119.950 0.072 0.000 2.541 223 F HA 0.004 nan 4.527 nan 0.000 0.351 223 F C -1.235 174.447 175.800 -0.197 0.000 1.209 223 F CA -1.544 56.419 58.000 -0.061 0.000 1.277 223 F CB -0.709 38.221 39.000 -0.116 0.000 1.632 223 F HN -0.147 8.274 8.300 0.327 0.075 0.619 224 H N 5.651 124.572 119.070 -0.249 0.000 2.363 224 H HA -0.118 nan 4.556 nan 0.000 0.301 224 H C -0.789 174.320 175.328 -0.366 0.000 1.074 224 H CA 2.835 58.846 56.048 -0.062 0.000 1.354 224 H CB 0.786 30.591 29.762 0.073 0.000 1.397 224 H HN -0.529 7.715 8.280 0.031 0.054 0.516 225 N N -2.438 115.991 118.700 -0.451 0.000 2.426 225 N HA -0.059 nan 4.740 nan 0.000 0.275 225 N C 1.160 176.217 175.510 -0.755 0.000 1.019 225 N CA -1.123 51.735 53.050 -0.320 0.000 0.941 225 N CB 0.341 38.747 38.487 -0.135 0.000 1.123 225 N HN -0.413 7.602 8.380 -0.608 0.000 0.486 226 F N 5.116 124.847 119.950 -0.365 0.000 2.234 226 F HA -0.260 nan 4.527 nan 0.000 0.299 226 F C 0.964 176.773 175.800 0.014 0.000 1.087 226 F CA 3.053 61.017 58.000 -0.059 0.000 1.340 226 F CB 0.185 39.180 39.000 -0.008 0.000 1.031 226 F HN 0.668 9.186 8.300 0.363 0.000 0.500 227 D N -3.284 117.171 120.400 0.093 0.000 2.144 227 D HA -0.190 nan 4.640 nan 0.000 0.200 227 D C 0.951 177.275 176.300 0.039 0.000 0.978 227 D CA 2.277 56.308 54.000 0.051 0.000 0.833 227 D CB -0.002 40.810 40.800 0.020 0.000 0.961 227 D HN 0.142 8.915 8.370 0.090 -0.349 0.470 228 E N -0.304 119.890 120.200 -0.010 0.000 2.413 228 E HA 0.033 nan 4.350 nan 0.000 0.263 228 E C -1.835 174.861 176.600 0.160 0.000 1.015 228 E CA -1.102 55.321 56.400 0.038 0.000 0.916 228 E CB -0.867 28.816 29.700 -0.028 0.000 0.947 228 E HN -0.832 7.426 8.360 -0.125 0.027 0.440 229 P HA 0.157 nan 4.420 nan 0.000 0.275 229 P C -1.488 175.926 177.300 0.191 0.000 1.228 229 P CA -0.249 62.946 63.100 0.158 0.000 0.786 229 P CB 0.640 32.419 31.700 0.131 0.000 0.927 230 L N 1.231 122.562 121.223 0.181 0.000 2.399 230 L HA 0.159 nan 4.340 nan 0.000 0.265 230 L C -0.066 176.869 176.870 0.108 0.000 1.089 230 L CA -0.552 54.362 54.840 0.124 0.000 0.802 230 L CB 0.812 42.889 42.059 0.029 0.000 1.180 230 L HN 0.186 8.504 8.230 0.208 0.037 0.454 231 E N 0.564 120.816 120.200 0.087 0.000 2.366 231 E HA -0.024 nan 4.350 nan 0.000 0.266 231 E C 0.085 176.716 176.600 0.052 0.000 1.051 231 E CA 0.067 56.516 56.400 0.082 0.000 0.884 231 E CB 0.786 30.545 29.700 0.098 0.000 1.006 231 E HN 0.146 8.555 8.360 0.082 0.000 0.417 232 G N 0.151 108.975 108.800 0.039 0.000 2.476 232 G HA2 0.175 nan 3.960 nan 0.000 0.286 232 G HA3 0.175 nan 3.960 nan 0.000 0.286 232 G C -2.043 172.926 174.900 0.116 0.000 1.177 232 G CA -0.334 44.763 45.100 -0.004 0.000 0.870 232 G HN -0.053 8.269 8.290 0.052 0.000 0.528 233 Y N 1.531 121.800 120.300 -0.052 0.000 2.441 233 Y HA 0.089 nan 4.550 nan 0.000 0.334 233 Y C -2.267 173.615 175.900 -0.030 0.000 1.061 233 Y CA -0.215 57.880 58.100 -0.009 0.000 1.032 233 Y CB 3.745 42.208 38.460 0.005 0.000 1.266 233 Y HN 0.307 8.600 8.280 0.022 0.000 0.441 234 A N 7.968 130.312 122.820 -0.793 0.000 2.291 234 A HA 0.513 nan 4.320 nan 0.000 0.311 234 A C -1.661 175.421 177.584 -0.837 0.000 1.224 234 A CA -3.544 48.113 52.037 -0.632 0.000 0.821 234 A CB 0.600 19.286 19.000 -0.522 0.000 1.172 234 A HN 0.471 8.073 8.150 -0.914 0.000 0.494 235 P HA -0.109 nan 4.420 nan 0.000 0.220 235 P C -0.774 176.575 177.300 0.082 0.000 1.152 235 P CA 1.036 64.091 63.100 -0.074 0.000 0.812 235 P CB 0.351 32.120 31.700 0.114 0.000 0.792 236 H N -5.668 113.390 119.070 -0.019 0.000 2.756 236 H HA -0.327 nan 4.556 nan 0.000 0.315 236 H C -1.604 173.773 175.328 0.080 0.000 1.210 236 H CA 0.341 56.405 56.048 0.028 0.000 1.150 236 H CB -1.896 27.877 29.762 0.019 0.000 1.463 236 H HN 0.300 8.372 8.280 -0.345 0.000 0.427 237 L N -2.924 118.417 121.223 0.197 0.000 2.346 237 L HA 0.608 nan 4.340 nan 0.000 0.274 237 L C -0.515 176.487 176.870 0.221 0.000 1.007 237 L CA -0.848 54.134 54.840 0.237 0.000 0.818 237 L CB 2.439 44.704 42.059 0.344 0.000 1.284 237 L HN -0.329 8.003 8.230 0.170 0.000 0.424 238 T N -1.524 113.132 114.554 0.170 0.000 2.940 238 T HA 0.576 nan 4.350 nan 0.000 0.288 238 T C -0.389 174.362 174.700 0.086 0.000 1.033 238 T CA -2.221 59.940 62.100 0.103 0.000 1.033 238 T CB 2.193 71.114 68.868 0.087 0.000 1.079 238 T HN 0.307 8.653 8.240 0.178 0.000 0.496 239 S N 1.612 117.321 115.700 0.015 0.000 2.474 239 S HA 0.424 nan 4.470 nan 0.000 0.321 239 S C 1.548 176.178 174.600 0.050 0.000 1.080 239 S CA -2.070 56.143 58.200 0.021 0.000 1.106 239 S CB 1.088 64.246 63.200 -0.070 0.000 0.984 239 S HN 0.487 8.691 8.310 -0.009 0.101 0.464 240 L N 3.409 124.689 121.223 0.094 0.000 2.187 240 L HA -0.188 nan 4.340 nan 0.000 0.213 240 L C 0.748 177.666 176.870 0.079 0.000 1.100 240 L CA 2.449 57.343 54.840 0.089 0.000 0.765 240 L CB -0.728 41.397 42.059 0.110 0.000 0.904 240 L HN -0.082 8.471 8.230 0.126 -0.247 0.437 241 V N -6.200 113.770 119.914 0.094 0.000 2.380 241 V HA -0.248 nan 4.120 nan 0.000 0.251 241 V C 0.523 176.651 176.094 0.057 0.000 1.063 241 V CA 1.476 63.828 62.300 0.088 0.000 1.055 241 V CB -0.213 31.674 31.823 0.107 0.000 0.657 241 V HN 0.063 8.275 8.190 0.111 0.045 0.455 242 S N -1.206 114.520 115.700 0.042 0.000 2.903 242 S HA 0.206 nan 4.470 nan 0.000 0.314 242 S C -0.252 174.362 174.600 0.023 0.000 1.177 242 S CA -0.848 57.368 58.200 0.027 0.000 0.859 242 S CB 1.334 64.545 63.200 0.019 0.000 1.265 242 S HN -0.629 7.644 8.310 0.044 0.064 0.584 243 G N -1.166 107.644 108.800 0.016 0.000 2.744 243 G HA2 0.178 nan 3.960 nan 0.000 0.211 243 G HA3 0.178 nan 3.960 nan 0.000 0.211 243 G C 0.443 175.349 174.900 0.009 0.000 1.146 243 G CA 0.169 45.279 45.100 0.017 0.000 0.787 243 G HN 0.080 8.378 8.290 0.014 0.000 0.534 244 L N 0.411 121.632 121.223 -0.003 0.000 2.472 244 L HA 0.041 nan 4.340 nan 0.000 0.260 244 L C -0.952 175.887 176.870 -0.052 0.000 1.209 244 L CA 0.670 55.497 54.840 -0.020 0.000 0.817 244 L CB 0.863 42.908 42.059 -0.023 0.000 1.106 244 L HN -0.639 7.527 8.230 -0.001 0.064 0.479 245 Q N -2.930 116.830 119.800 -0.066 0.000 2.615 245 Q HA 0.327 nan 4.340 nan 0.000 0.298 245 Q C -1.658 174.268 176.000 -0.123 0.000 1.023 245 Q CA -1.974 53.783 55.803 -0.078 0.000 0.768 245 Q CB 3.247 31.997 28.738 0.019 0.000 1.500 245 Q HN -0.185 8.058 8.270 -0.045 0.000 0.441 246 Y N -0.468 119.850 120.300 0.030 0.000 2.442 246 Y HA -0.215 nan 4.550 nan 0.000 0.330 246 Y C -0.268 175.639 175.900 0.012 0.000 1.129 246 Y CA 0.788 58.907 58.100 0.031 0.000 1.365 246 Y CB 0.424 38.908 38.460 0.040 0.000 1.233 246 Y HN -0.448 7.930 8.280 0.163 0.000 0.529 247 A N 5.471 128.383 122.820 0.152 0.000 2.425 247 A HA 0.029 nan 4.320 nan 0.000 0.249 247 A C -1.341 176.278 177.584 0.059 0.000 1.084 247 A CA -0.211 51.875 52.037 0.083 0.000 0.781 247 A CB 0.839 19.890 19.000 0.085 0.000 1.019 247 A HN -0.262 7.980 8.150 0.154 0.000 0.490 248 S N 1.750 117.440 115.700 -0.015 0.000 2.645 248 S HA 0.331 nan 4.470 nan 0.000 0.266 248 S C -0.217 174.332 174.600 -0.084 0.000 1.258 248 S CA -0.476 57.679 58.200 -0.074 0.000 0.990 248 S CB 1.239 64.341 63.200 -0.163 0.000 0.967 248 S HN 0.098 8.393 8.310 -0.026 0.000 0.556 249 R N 0.362 120.782 120.500 -0.134 0.000 2.483 249 R HA 0.469 nan 4.340 nan 0.000 0.303 249 R C -2.212 173.888 176.300 -0.333 0.000 0.987 249 R CA -3.329 52.601 56.100 -0.283 0.000 0.881 249 R CB 2.669 32.815 30.300 -0.258 0.000 1.177 249 R HN 0.258 8.460 8.270 -0.113 0.000 0.451 250 P HA -0.114 nan 4.420 nan 0.000 0.271 250 P C -1.244 175.841 177.300 -0.357 0.000 1.238 250 P CA -0.253 62.660 63.100 -0.311 0.000 0.794 250 P CB 0.368 31.993 31.700 -0.126 0.000 0.959 251 E N -1.806 118.369 120.200 -0.043 0.000 2.418 251 E HA -0.290 nan 4.350 nan 0.000 0.261 251 E C 0.579 177.352 176.600 0.289 0.000 1.070 251 E CA -0.232 56.219 56.400 0.085 0.000 0.931 251 E CB -0.346 29.410 29.700 0.093 0.000 0.954 251 E HN -0.126 8.232 8.360 -0.003 0.000 0.439 252 G N 2.097 111.067 108.800 0.283 0.000 2.149 252 G HA2 -0.421 nan 3.960 nan 0.000 0.235 252 G HA3 -0.421 nan 3.960 nan 0.000 0.235 252 G C -1.483 173.618 174.900 0.335 0.000 1.018 252 G CA 0.086 45.350 45.100 0.274 0.000 0.728 252 G HN 0.115 8.528 8.290 0.205 0.000 0.508 253 Y N -0.117 120.226 120.300 0.073 0.000 2.385 253 Y HA 0.139 nan 4.550 nan 0.000 0.341 253 Y C -1.036 174.889 175.900 0.043 0.000 0.965 253 Y CA -2.494 55.659 58.100 0.089 0.000 1.180 253 Y CB -0.011 38.508 38.460 0.098 0.000 1.139 253 Y HN -0.866 7.703 8.280 0.481 0.000 0.502 254 S N 2.504 118.207 115.700 0.004 0.000 2.617 254 S HA 0.230 nan 4.470 nan 0.000 0.269 254 S C -1.477 172.984 174.600 -0.231 0.000 1.292 254 S CA -1.153 57.003 58.200 -0.074 0.000 1.010 254 S CB 1.311 64.434 63.200 -0.129 0.000 0.944 254 S HN 0.335 8.611 8.310 -0.057 0.000 0.536 255 I N 2.520 123.020 120.570 -0.117 0.000 2.496 255 I HA -0.105 nan 4.170 nan 0.000 0.285 255 I C -1.647 174.351 176.117 -0.200 0.000 1.080 255 I CA -0.494 60.756 61.300 -0.083 0.000 1.404 255 I CB 0.652 38.663 38.000 0.018 0.000 1.403 255 I HN -0.024 8.177 8.210 -0.015 0.000 0.539 256 H N 6.936 126.024 119.070 0.029 0.000 2.616 256 H HA 0.250 nan 4.556 nan 0.000 0.353 256 H C -1.177 174.147 175.328 -0.007 0.000 1.170 256 H CA -1.384 54.669 56.048 0.008 0.000 1.212 256 H CB 2.192 31.956 29.762 0.003 0.000 1.653 256 H HN 0.227 8.596 8.280 0.147 0.000 0.537 257 D N 0.804 121.265 120.400 0.102 0.000 2.399 257 D HA 0.152 nan 4.640 nan 0.000 0.241 257 D C -0.761 175.554 176.300 0.026 0.000 1.133 257 D CA 0.634 54.644 54.000 0.017 0.000 0.890 257 D CB 0.629 41.417 40.800 -0.021 0.000 1.201 257 D HN 0.136 8.578 8.370 0.119 0.000 0.432 258 L N 0.359 121.578 121.223 -0.007 0.000 2.304 258 L HA 0.401 nan 4.340 nan 0.000 0.268 258 L C 0.197 177.058 176.870 -0.014 0.000 1.010 258 L CA -1.572 53.273 54.840 0.009 0.000 0.813 258 L CB 2.437 44.525 42.059 0.049 0.000 1.315 258 L HN 0.565 8.767 8.230 -0.046 0.000 0.445 259 S N 0.442 116.146 115.700 0.007 0.000 2.368 259 S HA -0.258 nan 4.470 nan 0.000 0.225 259 S C 0.907 175.511 174.600 0.007 0.000 1.030 259 S CA 3.299 61.502 58.200 0.005 0.000 0.999 259 S CB 0.178 63.392 63.200 0.022 0.000 0.844 259 S HN 1.043 9.364 8.310 0.017 0.000 0.459 260 D N -1.744 118.689 120.400 0.056 0.000 2.117 260 D HA -0.047 nan 4.640 nan 0.000 0.198 260 D C -1.001 175.197 176.300 -0.170 0.000 0.982 260 D CA 1.742 55.795 54.000 0.088 0.000 0.828 260 D CB 0.540 41.596 40.800 0.426 0.000 0.967 260 D HN 0.127 8.554 8.370 0.091 -0.002 0.464 261 V N -2.457 117.285 119.914 -0.287 0.000 2.851 261 V HA 0.196 nan 4.120 nan 0.000 0.307 261 V C -2.276 173.639 176.094 -0.298 0.000 1.129 261 V CA -1.683 60.332 62.300 -0.474 0.000 0.932 261 V CB 3.749 34.966 31.823 -1.010 0.000 1.024 261 V HN -0.539 7.462 8.190 -0.154 0.097 0.426 262 D N 3.641 123.862 120.400 -0.298 0.000 2.210 262 D HA 0.276 nan 4.640 nan 0.000 0.249 262 D C 1.065 177.184 176.300 -0.301 0.000 1.078 262 D CA -0.520 53.336 54.000 -0.241 0.000 0.875 262 D CB 1.555 42.235 40.800 -0.200 0.000 1.175 262 D HN -0.042 8.131 8.370 -0.328 0.000 0.440 263 V N 3.132 122.924 119.914 -0.203 0.000 2.546 263 V HA -0.484 nan 4.120 nan 0.000 0.254 263 V C 1.769 177.660 176.094 -0.337 0.000 1.076 263 V CA 4.189 66.377 62.300 -0.187 0.000 1.087 263 V CB -0.919 30.871 31.823 -0.056 0.000 0.674 263 V HN 0.624 9.024 8.190 -0.141 -0.295 0.470 264 Q N -0.812 118.790 119.800 -0.330 0.000 2.123 264 Q HA -0.335 nan 4.340 nan 0.000 0.199 264 Q C 1.788 177.485 176.000 -0.505 0.000 0.966 264 Q CA 3.464 59.043 55.803 -0.372 0.000 0.845 264 Q CB -0.572 28.006 28.738 -0.266 0.000 0.907 264 Q HN 0.071 8.148 8.270 -0.265 0.033 0.439 265 D N 0.964 121.005 120.400 -0.599 0.000 2.149 265 D HA -0.308 nan 4.640 nan 0.000 0.198 265 D C 2.493 177.856 176.300 -1.561 0.000 0.990 265 D CA 3.348 56.769 54.000 -0.965 0.000 0.839 265 D CB -0.515 39.752 40.800 -0.888 0.000 0.948 265 D HN -0.452 7.875 8.370 -0.490 -0.250 0.460 266 M N -0.883 118.064 119.600 -1.089 0.000 2.065 266 M HA -0.349 nan 4.480 nan 0.000 0.259 266 M C 2.263 178.296 176.300 -0.444 0.000 1.069 266 M CA 3.259 58.223 55.300 -0.560 0.000 1.110 266 M CB -0.588 31.916 32.600 -0.160 0.000 1.328 266 M HN -0.564 7.230 8.290 -0.827 0.000 0.405 267 V N -0.734 118.802 119.914 -0.630 0.000 2.324 267 V HA -0.528 nan 4.120 nan 0.000 0.250 267 V C 2.317 178.206 176.094 -0.343 0.000 1.060 267 V CA 4.141 66.089 62.300 -0.585 0.000 1.042 267 V CB -1.284 30.196 31.823 -0.572 0.000 0.650 267 V HN 0.160 7.779 8.190 -0.644 0.185 0.450 268 R N -1.223 119.044 120.500 -0.388 0.000 2.097 268 R HA -0.415 nan 4.340 nan 0.000 0.236 268 R C 2.155 178.373 176.300 -0.137 0.000 1.135 268 R CA 3.609 59.534 56.100 -0.292 0.000 0.934 268 R CB -0.368 29.689 30.300 -0.405 0.000 0.846 268 R HN 0.310 8.177 8.270 -0.498 0.105 0.431 269 W N -2.174 119.049 121.300 -0.129 0.000 2.318 269 W HA -0.278 nan 4.660 nan 0.000 0.313 269 W C 2.248 178.752 176.519 -0.025 0.000 1.221 269 W CA 1.612 58.905 57.345 -0.086 0.000 1.266 269 W CB -1.058 28.407 29.460 0.009 0.000 1.150 269 W HN -0.495 7.368 8.180 -0.391 0.081 0.496 270 R N -1.363 119.280 120.500 0.237 0.000 2.096 270 R HA -0.484 nan 4.340 nan 0.000 0.240 270 R C 1.958 178.307 176.300 0.082 0.000 1.139 270 R CA 3.801 60.013 56.100 0.187 0.000 0.952 270 R CB -0.374 30.065 30.300 0.232 0.000 0.854 270 R HN -0.370 8.028 8.270 0.214 0.000 0.436 271 E N -1.747 118.470 120.200 0.029 0.000 2.106 271 E HA -0.243 nan 4.350 nan 0.000 0.192 271 E C 2.742 179.350 176.600 0.013 0.000 0.984 271 E CA 2.594 58.998 56.400 0.007 0.000 0.806 271 E CB -0.699 28.988 29.700 -0.022 0.000 0.750 271 E HN -0.406 7.867 8.360 0.002 0.089 0.458 272 R N -0.425 120.069 120.500 -0.010 0.000 2.073 272 R HA -0.278 nan 4.340 nan 0.000 0.234 272 R C 2.771 179.145 176.300 0.122 0.000 1.134 272 R CA 3.331 59.403 56.100 -0.046 0.000 0.952 272 R CB -0.066 29.973 30.300 -0.434 0.000 0.850 272 R HN -0.133 8.124 8.270 -0.022 0.000 0.433 273 I N -0.000 120.657 120.570 0.146 0.000 2.142 273 I HA -0.488 nan 4.170 nan 0.000 0.240 273 I C 1.814 177.936 176.117 0.009 0.000 1.078 273 I CA 4.078 65.445 61.300 0.112 0.000 1.343 273 I CB -0.085 37.936 38.000 0.034 0.000 1.046 273 I HN 0.057 8.337 8.210 0.117 0.000 0.405 274 L N -1.994 119.222 121.223 -0.012 0.000 2.131 274 L HA -0.471 nan 4.340 nan 0.000 0.210 274 L C 2.155 178.998 176.870 -0.047 0.000 1.092 274 L CA 2.938 57.750 54.840 -0.047 0.000 0.759 274 L CB -0.921 41.114 42.059 -0.039 0.000 0.903 274 L HN -0.063 8.171 8.230 0.008 0.000 0.435 275 D N -0.291 120.100 120.400 -0.014 0.000 2.097 275 D HA -0.266 nan 4.640 nan 0.000 0.197 275 D C 1.630 177.875 176.300 -0.092 0.000 0.984 275 D CA 3.174 57.156 54.000 -0.030 0.000 0.826 275 D CB -0.095 40.718 40.800 0.021 0.000 0.973 275 D HN -0.066 8.290 8.370 0.016 0.024 0.460 276 A N -0.915 121.878 122.820 -0.046 0.000 2.024 276 A HA -0.248 nan 4.320 nan 0.000 0.220 276 A C 2.353 179.820 177.584 -0.195 0.000 1.164 276 A CA 2.749 54.712 52.037 -0.123 0.000 0.643 276 A CB -0.700 18.347 19.000 0.079 0.000 0.806 276 A HN -0.512 7.586 8.150 0.045 0.078 0.451 277 I N -2.592 117.886 120.570 -0.153 0.000 2.113 277 I HA -0.621 nan 4.170 nan 0.000 0.238 277 I C 2.357 178.213 176.117 -0.434 0.000 1.070 277 I CA 4.185 65.374 61.300 -0.185 0.000 1.332 277 I CB -0.524 37.414 38.000 -0.104 0.000 1.044 277 I HN -0.230 7.899 8.210 -0.106 0.018 0.402 278 N N 0.261 118.777 118.700 -0.306 0.000 2.025 278 N HA -0.304 nan 4.740 nan 0.000 0.194 278 N C 2.034 177.412 175.510 -0.221 0.000 1.044 278 N CA 3.009 55.899 53.050 -0.266 0.000 0.851 278 N CB -0.569 37.845 38.487 -0.122 0.000 1.036 278 N HN -0.726 7.456 8.380 -0.203 0.076 0.422 279 M N -3.142 116.325 119.600 -0.223 0.000 2.530 279 M HA -0.307 nan 4.480 nan 0.000 0.261 279 M C -0.539 175.707 176.300 -0.091 0.000 1.067 279 M CA 2.514 57.686 55.300 -0.213 0.000 1.071 279 M CB -0.021 32.192 32.600 -0.645 0.000 1.405 279 M HN 0.013 8.161 8.290 -0.237 0.000 0.478 280 H N -6.784 112.201 119.070 -0.141 0.000 2.958 280 H HA -0.405 nan 4.556 nan 0.000 0.274 280 H C -1.514 173.872 175.328 0.098 0.000 1.184 280 H CA 1.524 57.560 56.048 -0.019 0.000 1.143 280 H CB -2.538 27.221 29.762 -0.005 0.000 1.297 280 H HN -0.430 7.463 8.280 -0.435 0.125 0.356 281 Y N -7.846 112.521 120.300 0.112 0.000 2.609 281 Y HA 0.816 nan 4.550 nan 0.000 0.336 281 Y C -2.889 173.081 175.900 0.116 0.000 1.129 281 Y CA -2.490 55.675 58.100 0.108 0.000 1.040 281 Y CB 2.907 41.423 38.460 0.095 0.000 1.310 281 Y HN -0.610 7.364 8.280 -0.446 0.039 0.460 282 I N -4.483 116.300 120.570 0.355 0.000 2.846 282 I HA 0.717 nan 4.170 nan 0.000 0.307 282 I C -1.549 174.831 176.117 0.438 0.000 1.053 282 I CA -2.516 58.990 61.300 0.343 0.000 1.050 282 I CB 4.169 42.252 38.000 0.138 0.000 1.239 282 I HN 0.478 8.898 8.210 0.349 0.000 0.439 283 V N -2.532 117.668 119.914 0.477 0.000 2.427 283 V HA 0.471 nan 4.120 nan 0.000 0.286 283 V C -0.690 175.563 176.094 0.266 0.000 1.034 283 V CA -2.231 60.238 62.300 0.282 0.000 0.893 283 V CB 0.124 32.013 31.823 0.110 0.000 0.982 283 V HN 0.045 8.648 8.190 0.689 0.000 0.452 284 D N 6.484 126.979 120.400 0.159 0.000 2.411 284 D HA 0.263 nan 4.640 nan 0.000 0.251 284 D C 0.656 177.012 176.300 0.094 0.000 1.201 284 D CA -0.653 53.428 54.000 0.134 0.000 0.996 284 D CB 1.433 42.284 40.800 0.085 0.000 1.101 284 D HN 0.002 8.444 8.370 0.119 0.000 0.504 285 K N 0.277 120.729 120.400 0.087 0.000 2.044 285 K HA -0.300 nan 4.320 nan 0.000 0.210 285 K C 1.054 177.673 176.600 0.033 0.000 1.049 285 K CA 2.849 59.172 56.287 0.060 0.000 0.927 285 K CB -0.006 32.529 32.500 0.058 0.000 0.713 285 K HN -0.037 8.273 8.250 0.100 0.000 0.443 286 D N -4.803 115.614 120.400 0.028 0.000 2.312 286 D HA -0.179 nan 4.640 nan 0.000 0.211 286 D C -0.461 175.841 176.300 0.003 0.000 0.964 286 D CA 0.655 54.663 54.000 0.014 0.000 0.877 286 D CB -0.510 40.298 40.800 0.013 0.000 0.924 286 D HN -0.067 8.325 8.370 0.037 0.000 0.515 287 N N -6.411 112.294 118.700 0.008 0.000 2.937 287 N HA -0.419 nan 4.740 nan 0.000 0.248 287 N C -1.221 174.279 175.510 -0.017 0.000 1.069 287 N CA 1.036 54.081 53.050 -0.009 0.000 0.822 287 N CB -1.895 36.572 38.487 -0.034 0.000 1.122 287 N HN 0.069 8.317 8.380 0.025 0.147 0.554 288 N N 0.787 119.483 118.700 -0.006 0.000 2.513 288 N HA 0.082 nan 4.740 nan 0.000 0.274 288 N C -1.031 174.476 175.510 -0.006 0.000 1.189 288 N CA 0.446 53.484 53.050 -0.019 0.000 0.975 288 N CB 1.443 39.923 38.487 -0.010 0.000 1.157 288 N HN -0.341 8.269 8.380 0.007 -0.226 0.465 289 K N 0.471 120.847 120.400 -0.040 0.000 2.118 289 K HA 0.672 nan 4.320 nan 0.000 0.254 289 K C -0.927 175.698 176.600 0.042 0.000 0.961 289 K CA -0.908 55.373 56.287 -0.009 0.000 0.876 289 K CB 1.296 33.650 32.500 -0.245 0.000 1.077 289 K HN 0.007 8.217 8.250 -0.066 0.000 0.440 290 I N -2.461 118.182 120.570 0.121 0.000 2.509 290 I HA 0.604 nan 4.170 nan 0.000 0.293 290 I C -2.446 173.765 176.117 0.156 0.000 1.020 290 I CA -3.520 57.837 61.300 0.095 0.000 1.088 290 I CB 2.523 40.565 38.000 0.069 0.000 1.267 290 I HN 0.530 8.853 8.210 0.189 0.000 0.430 291 P HA 0.205 nan 4.420 nan 0.000 0.275 291 P C -0.984 176.436 177.300 0.199 0.000 1.228 291 P CA -0.598 62.613 63.100 0.184 0.000 0.786 291 P CB 0.304 32.090 31.700 0.142 0.000 0.927 292 L N 3.403 124.781 121.223 0.259 0.000 2.387 292 L HA -0.042 nan 4.340 nan 0.000 0.267 292 L C -0.534 176.581 176.870 0.408 0.000 1.197 292 L CA -0.710 54.335 54.840 0.342 0.000 1.070 292 L CB -1.191 41.156 42.059 0.480 0.000 1.349 292 L HN 0.216 8.511 8.230 0.272 0.099 0.422 293 D N 4.349 124.964 120.400 0.359 0.000 2.357 293 D HA 0.000 nan 4.640 nan 0.000 0.242 293 D C 1.065 177.660 176.300 0.493 0.000 1.153 293 D CA -0.597 53.627 54.000 0.373 0.000 0.918 293 D CB 2.214 43.248 40.800 0.390 0.000 1.181 293 D HN -0.402 8.113 8.370 0.297 0.033 0.435 294 I N 2.626 123.485 120.570 0.482 0.000 2.226 294 I HA -0.430 nan 4.170 nan 0.000 0.245 294 I C 1.463 177.668 176.117 0.147 0.000 1.100 294 I CA 3.501 65.092 61.300 0.485 0.000 1.374 294 I CB 0.034 38.258 38.000 0.372 0.000 1.057 294 I HN 0.147 8.587 8.210 0.384 0.000 0.413 295 E N -1.318 118.953 120.200 0.118 0.000 2.028 295 E HA -0.209 nan 4.350 nan 0.000 0.191 295 E C 1.585 178.103 176.600 -0.137 0.000 0.988 295 E CA 2.583 58.938 56.400 -0.075 0.000 0.799 295 E CB -0.148 29.415 29.700 -0.229 0.000 0.755 295 E HN 0.309 8.931 8.360 0.193 -0.146 0.447 296 H N -2.099 117.027 119.070 0.094 0.000 2.470 296 H HA -0.013 nan 4.556 nan 0.000 0.289 296 H C 1.853 177.228 175.328 0.077 0.000 1.033 296 H CA 1.588 57.683 56.048 0.079 0.000 1.331 296 H CB -0.283 29.530 29.762 0.085 0.000 1.414 296 H HN -0.053 8.359 8.280 0.221 0.000 0.545 297 G N -1.000 107.956 108.800 0.260 0.000 2.476 297 G HA2 -0.411 nan 3.960 nan 0.000 0.218 297 G HA3 -0.411 nan 3.960 nan 0.000 0.218 297 G C 0.723 175.575 174.900 -0.080 0.000 1.164 297 G CA 2.707 47.936 45.100 0.214 0.000 0.768 297 G HN 0.330 8.669 8.290 0.302 0.132 0.560 298 T N 3.310 117.830 114.554 -0.057 0.000 2.746 298 T HA -0.327 nan 4.350 nan 0.000 0.267 298 T C 1.751 176.440 174.700 -0.018 0.000 1.039 298 T CA 4.949 66.983 62.100 -0.111 0.000 1.142 298 T CB -0.538 68.266 68.868 -0.106 0.000 0.866 298 T HN -0.051 8.193 8.240 0.007 0.000 0.444 299 D N 1.922 122.334 120.400 0.020 0.000 2.097 299 D HA -0.182 nan 4.640 nan 0.000 0.195 299 D C 1.623 177.954 176.300 0.051 0.000 0.989 299 D CA 2.932 56.966 54.000 0.056 0.000 0.827 299 D CB -0.326 40.514 40.800 0.067 0.000 0.966 299 D HN -0.448 7.915 8.370 0.023 0.021 0.456 300 I N -2.712 117.877 120.570 0.032 0.000 2.226 300 I HA -0.380 nan 4.170 nan 0.000 0.245 300 I C 1.670 177.749 176.117 -0.063 0.000 1.100 300 I CA 3.364 64.664 61.300 -0.001 0.000 1.374 300 I CB -0.287 37.715 38.000 0.005 0.000 1.057 300 I HN -0.510 7.730 8.210 0.049 0.000 0.413 301 L N 0.421 121.583 121.223 -0.102 0.000 2.093 301 L HA -0.212 nan 4.340 nan 0.000 0.208 301 L C 1.869 178.747 176.870 0.014 0.000 1.085 301 L CA 2.736 57.488 54.840 -0.147 0.000 0.755 301 L CB -0.655 41.249 42.059 -0.258 0.000 0.904 301 L HN -0.109 7.967 8.230 -0.111 0.088 0.435 302 G N -2.411 106.495 108.800 0.177 0.000 2.418 302 G HA2 -0.493 nan 3.960 nan 0.000 0.217 302 G HA3 -0.493 nan 3.960 nan 0.000 0.217 302 G C 0.616 175.551 174.900 0.057 0.000 1.158 302 G CA 2.612 47.891 45.100 0.297 0.000 0.771 302 G HN 0.288 8.532 8.290 0.122 0.119 0.545 303 D N 1.231 121.639 120.400 0.013 0.000 2.144 303 D HA -0.304 nan 4.640 nan 0.000 0.200 303 D C 2.372 178.629 176.300 -0.072 0.000 0.978 303 D CA 2.833 56.814 54.000 -0.031 0.000 0.833 303 D CB -0.478 40.324 40.800 0.003 0.000 0.961 303 D HN -0.274 8.117 8.370 0.035 0.000 0.470 304 I N 0.001 120.510 120.570 -0.101 0.000 2.252 304 I HA -0.360 nan 4.170 nan 0.000 0.245 304 I C 1.735 177.784 176.117 -0.113 0.000 1.102 304 I CA 3.658 64.868 61.300 -0.149 0.000 1.385 304 I CB 0.053 37.853 38.000 -0.333 0.000 1.064 304 I HN -0.715 7.436 8.210 -0.100 0.000 0.414 305 I N -0.926 119.590 120.570 -0.090 0.000 2.252 305 I HA -0.417 nan 4.170 nan 0.000 0.245 305 I C 1.086 177.210 176.117 0.012 0.000 1.102 305 I CA 1.714 63.001 61.300 -0.021 0.000 1.385 305 I CB -0.313 37.689 38.000 0.003 0.000 1.064 305 I HN 0.008 8.168 8.210 -0.084 0.000 0.414 306 E N -0.489 119.604 120.200 -0.179 0.000 2.023 306 E HA -0.391 nan 4.350 nan 0.000 0.196 306 E C -0.977 175.598 176.600 -0.042 0.000 1.003 306 E CA 3.880 60.065 56.400 -0.358 0.000 0.809 306 E CB 0.090 29.355 29.700 -0.725 0.000 0.755 306 E HN -0.442 7.795 8.360 -0.204 0.000 0.449 307 S N -3.890 111.769 115.700 -0.068 0.000 2.638 307 S HA 0.440 nan 4.470 nan 0.000 0.298 307 S C -0.612 173.938 174.600 -0.083 0.000 1.111 307 S CA -2.031 56.107 58.200 -0.104 0.000 1.027 307 S CB 2.392 65.541 63.200 -0.084 0.000 1.064 307 S HN -0.729 7.546 8.310 -0.059 0.000 0.525 308 S N 0.450 116.112 115.700 -0.064 0.000 2.738 308 S HA 0.440 nan 4.470 nan 0.000 0.284 308 S C 1.173 175.779 174.600 0.010 0.000 1.146 308 S CA -0.970 57.224 58.200 -0.009 0.000 0.997 308 S CB 2.194 65.409 63.200 0.025 0.000 1.081 308 S HN 0.625 8.773 8.310 -0.073 0.118 0.553 309 D N 1.419 121.842 120.400 0.038 0.000 2.219 309 D HA -0.099 nan 4.640 nan 0.000 0.205 309 D C 1.174 177.498 176.300 0.041 0.000 0.970 309 D CA 2.821 56.842 54.000 0.035 0.000 0.851 309 D CB -0.192 40.629 40.800 0.034 0.000 0.943 309 D HN 0.129 8.534 8.370 0.057 0.000 0.488 310 E N -1.767 118.467 120.200 0.056 0.000 2.338 310 E HA -0.165 nan 4.350 nan 0.000 0.197 310 E C -0.275 176.350 176.600 0.041 0.000 1.007 310 E CA 0.629 57.065 56.400 0.060 0.000 0.849 310 E CB -0.118 29.629 29.700 0.079 0.000 0.774 310 E HN -0.585 7.760 8.360 0.064 0.053 0.506 311 S N -1.127 114.588 115.700 0.025 0.000 2.573 311 S HA -0.268 nan 4.470 nan 0.000 0.297 311 S C 0.367 174.998 174.600 0.051 0.000 1.280 311 S CA 0.249 58.459 58.200 0.016 0.000 1.061 311 S CB 0.420 63.628 63.200 0.012 0.000 0.812 311 S HN -0.708 7.445 8.310 0.019 0.168 0.500 312 K N 3.468 123.900 120.400 0.054 0.000 2.097 312 K HA -0.207 nan 4.320 nan 0.000 0.205 312 K C -0.243 176.454 176.600 0.162 0.000 1.050 312 K CA 2.104 58.448 56.287 0.094 0.000 0.938 312 K CB 0.504 33.056 32.500 0.086 0.000 0.718 312 K HN -0.050 8.345 8.250 0.008 -0.139 0.442 313 N N -3.470 115.393 118.700 0.273 0.000 2.430 313 N HA 0.179 nan 4.740 nan 0.000 0.290 313 N C 0.062 175.738 175.510 0.277 0.000 1.063 313 N CA -1.272 51.955 53.050 0.294 0.000 0.883 313 N CB 1.874 40.569 38.487 0.346 0.000 1.465 313 N HN -0.747 7.813 8.380 0.300 0.000 0.493 314 V N 0.086 120.088 119.914 0.146 0.000 2.535 314 V HA 0.025 nan 4.120 nan 0.000 0.246 314 V C 1.079 177.209 176.094 0.060 0.000 1.045 314 V CA 2.324 64.672 62.300 0.080 0.000 1.058 314 V CB -0.142 31.712 31.823 0.051 0.000 0.689 314 V HN 0.534 8.800 8.190 0.127 0.000 0.461 315 E N 0.496 120.756 120.200 0.099 0.000 2.060 315 E HA -0.314 nan 4.350 nan 0.000 0.189 315 E C 1.642 178.330 176.600 0.148 0.000 0.974 315 E CA 2.256 58.727 56.400 0.118 0.000 0.808 315 E CB -0.260 29.510 29.700 0.116 0.000 0.768 315 E HN -0.365 8.258 8.360 0.114 -0.195 0.453 316 Y N 0.689 120.960 120.300 -0.048 0.000 2.114 316 Y HA -0.399 nan 4.550 nan 0.000 0.284 316 Y C 1.944 177.738 175.900 -0.177 0.000 1.143 316 Y CA 3.198 61.187 58.100 -0.185 0.000 1.135 316 Y CB 0.305 38.486 38.460 -0.464 0.000 0.980 316 Y HN -0.675 7.960 8.280 0.179 -0.248 0.499 317 Y N -4.246 116.029 120.300 -0.041 0.000 2.365 317 Y HA -0.206 nan 4.550 nan 0.000 0.293 317 Y C 0.439 176.002 175.900 -0.561 0.000 1.119 317 Y CA 2.209 60.182 58.100 -0.212 0.000 1.203 317 Y CB 0.594 38.996 38.460 -0.097 0.000 1.026 317 Y HN -0.822 7.476 8.280 0.030 0.000 0.549 318 G N -1.967 106.518 108.800 -0.524 0.000 2.584 318 G HA2 -0.316 nan 3.960 nan 0.000 0.229 318 G HA3 -0.316 nan 3.960 nan 0.000 0.229 318 G C -2.683 171.792 174.900 -0.707 0.000 1.320 318 G CA -0.293 44.097 45.100 -1.183 0.000 0.891 318 G HN -0.284 7.775 8.290 -0.195 0.113 0.573 319 S N -1.316 113.957 115.700 -0.712 0.000 2.389 319 S HA 0.311 nan 4.470 nan 0.000 0.201 319 S C -0.435 174.214 174.600 0.081 0.000 1.422 319 S CA -1.302 56.774 58.200 -0.206 0.000 1.216 319 S CB 1.075 64.158 63.200 -0.195 0.000 1.130 319 S HN -0.033 7.530 8.310 -1.246 0.000 0.465 320 L N 5.977 127.315 121.223 0.193 0.000 1.994 320 L HA -0.272 nan 4.340 nan 0.000 0.208 320 L C 0.533 177.746 176.870 0.572 0.000 1.071 320 L CA 2.832 57.985 54.840 0.521 0.000 0.745 320 L CB 0.007 42.392 42.059 0.545 0.000 0.892 320 L HN 0.345 8.623 8.230 0.079 0.000 0.431 321 H N -0.365 118.956 119.070 0.418 0.000 2.293 321 H HA -0.403 nan 4.556 nan 0.000 0.300 321 H C 2.217 177.679 175.328 0.223 0.000 1.082 321 H CA 4.399 60.752 56.048 0.509 0.000 1.308 321 H CB 0.078 30.091 29.762 0.419 0.000 1.375 321 H HN -0.241 8.318 8.280 0.465 0.000 0.495 322 N N -0.858 117.984 118.700 0.236 0.000 2.120 322 N HA -0.335 nan 4.740 nan 0.000 0.188 322 N C 2.316 177.723 175.510 -0.170 0.000 1.024 322 N CA 3.006 56.099 53.050 0.071 0.000 0.852 322 N CB -0.527 37.987 38.487 0.045 0.000 1.003 322 N HN -0.235 8.331 8.380 0.310 0.000 0.424 323 W N -0.783 120.509 121.300 -0.013 0.000 2.374 323 W HA -0.206 nan 4.660 nan 0.000 0.288 323 W C 1.840 178.204 176.519 -0.259 0.000 1.218 323 W CA 2.858 60.183 57.345 -0.034 0.000 1.245 323 W CB -0.204 29.339 29.460 0.138 0.000 1.126 323 W HN -0.207 8.026 8.180 0.089 0.000 0.545 324 G N -2.006 106.566 108.800 -0.379 0.000 2.418 324 G HA2 -0.430 nan 3.960 nan 0.000 0.217 324 G HA3 -0.430 nan 3.960 nan 0.000 0.217 324 G C 0.996 175.292 174.900 -1.007 0.000 1.158 324 G CA 2.235 46.640 45.100 -1.158 0.000 0.771 324 G HN 0.191 8.265 8.290 -0.216 0.086 0.545 325 H N 2.286 120.787 119.070 -0.949 0.000 2.353 325 H HA -0.212 nan 4.556 nan 0.000 0.300 325 H C 2.551 177.668 175.328 -0.351 0.000 1.090 325 H CA 3.971 59.562 56.048 -0.761 0.000 1.327 325 H CB 0.126 29.156 29.762 -1.221 0.000 1.383 325 H HN -0.625 7.096 8.280 -0.732 0.120 0.508 326 V N 0.144 120.023 119.914 -0.059 0.000 2.295 326 V HA -0.456 nan 4.120 nan 0.000 0.246 326 V C 2.115 178.247 176.094 0.064 0.000 1.049 326 V CA 4.688 67.044 62.300 0.093 0.000 1.024 326 V CB -0.750 31.233 31.823 0.267 0.000 0.648 326 V HN -0.326 7.693 8.190 -0.098 0.112 0.447 327 M N -2.280 117.331 119.600 0.019 0.000 2.117 327 M HA -0.354 nan 4.480 nan 0.000 0.262 327 M C 1.955 178.211 176.300 -0.075 0.000 1.065 327 M CA 3.630 58.926 55.300 -0.006 0.000 1.114 327 M CB -0.056 32.516 32.600 -0.047 0.000 1.361 327 M HN 0.042 8.224 8.290 -0.003 0.106 0.408 328 M N -1.963 117.511 119.600 -0.211 0.000 2.175 328 M HA -0.204 nan 4.480 nan 0.000 0.264 328 M C 2.710 178.960 176.300 -0.085 0.000 1.063 328 M CA 2.730 57.904 55.300 -0.210 0.000 1.119 328 M CB 0.329 32.708 32.600 -0.368 0.000 1.377 328 M HN -0.371 7.728 8.290 -0.318 0.000 0.415 329 A N -1.208 121.581 122.820 -0.052 0.000 1.933 329 A HA -0.240 nan 4.320 nan 0.000 0.218 329 A C 0.668 178.282 177.584 0.050 0.000 1.175 329 A CA 2.878 54.928 52.037 0.022 0.000 0.628 329 A CB -0.292 18.744 19.000 0.059 0.000 0.814 329 A HN 0.239 8.248 8.150 -0.084 0.090 0.444 330 N N -4.198 114.531 118.700 0.048 0.000 2.538 330 N HA 0.065 nan 4.740 nan 0.000 0.291 330 N C 0.159 175.731 175.510 0.102 0.000 1.323 330 N CA -1.756 51.332 53.050 0.063 0.000 0.934 330 N CB -0.836 37.661 38.487 0.018 0.000 1.255 330 N HN -0.448 7.955 8.380 0.038 0.000 0.509 331 I N -0.446 120.203 120.570 0.132 0.000 2.286 331 I HA -0.265 nan 4.170 nan 0.000 0.248 331 I C 1.028 177.325 176.117 0.300 0.000 1.115 331 I CA 2.240 63.681 61.300 0.235 0.000 1.392 331 I CB 0.185 38.342 38.000 0.263 0.000 1.065 331 I HN -0.499 7.680 8.210 0.092 0.087 0.418 332 T N -0.893 113.819 114.554 0.264 0.000 2.788 332 T HA -0.227 nan 4.350 nan 0.000 0.268 332 T C -0.159 174.706 174.700 0.275 0.000 1.044 332 T CA 2.359 64.641 62.100 0.302 0.000 1.139 332 T CB 0.104 69.098 68.868 0.211 0.000 0.867 332 T HN 0.195 8.515 8.240 0.190 0.034 0.454 333 D N -1.224 119.300 120.400 0.207 0.000 2.621 333 D HA 0.489 nan 4.640 nan 0.000 0.274 333 D C -0.907 175.424 176.300 0.052 0.000 1.215 333 D CA -3.025 51.086 54.000 0.184 0.000 0.810 333 D CB 0.398 41.358 40.800 0.266 0.000 1.248 333 D HN -0.853 7.521 8.370 0.165 0.095 0.517 334 P HA -0.240 nan 4.420 nan 0.000 0.219 334 P C 0.204 177.485 177.300 -0.032 0.000 1.146 334 P CA 2.022 65.126 63.100 0.006 0.000 0.808 334 P CB 0.410 32.122 31.700 0.020 0.000 0.779 335 D N -4.912 115.436 120.400 -0.086 0.000 2.360 335 D HA -0.101 nan 4.640 nan 0.000 0.210 335 D C 0.088 176.366 176.300 -0.036 0.000 1.047 335 D CA -0.542 53.399 54.000 -0.098 0.000 0.854 335 D CB 0.478 41.161 40.800 -0.195 0.000 0.936 335 D HN -0.629 7.745 8.370 -0.128 -0.081 0.514 336 H N -1.929 117.059 119.070 -0.136 0.000 3.612 336 H HA -0.255 nan 4.556 nan 0.000 0.212 336 H C -0.002 175.239 175.328 -0.145 0.000 1.041 336 H CA 1.536 57.525 56.048 -0.098 0.000 1.205 336 H CB -1.431 28.308 29.762 -0.039 0.000 1.159 336 H HN -0.316 8.018 8.280 0.012 -0.047 0.323 337 R N -2.998 117.372 120.500 -0.215 0.000 2.096 337 R HA -0.248 nan 4.340 nan 0.000 0.240 337 R C 0.957 177.142 176.300 -0.191 0.000 1.139 337 R CA 2.542 58.462 56.100 -0.300 0.000 0.952 337 R CB -0.494 29.527 30.300 -0.465 0.000 0.854 337 R HN 0.020 8.023 8.270 -0.273 0.103 0.436 338 F N -1.370 118.590 119.950 0.017 0.000 2.558 338 F HA -0.018 nan 4.527 nan 0.000 0.298 338 F C 0.012 175.805 175.800 -0.011 0.000 1.119 338 F CA -0.261 57.744 58.000 0.009 0.000 1.451 338 F CB 0.086 39.104 39.000 0.029 0.000 1.091 338 F HN -0.756 7.583 8.300 -0.499 -0.338 0.563 339 Q N -4.225 115.624 119.800 0.082 0.000 2.456 339 Q HA -0.441 nan 4.340 nan 0.000 0.325 339 Q C -1.396 174.646 176.000 0.070 0.000 1.453 339 Q CA 0.867 56.612 55.803 -0.098 0.000 0.848 339 Q CB -2.084 26.536 28.738 -0.197 0.000 1.123 339 Q HN -0.380 7.950 8.270 0.062 -0.024 0.374 340 E N -1.534 118.804 120.200 0.231 0.000 2.244 340 E HA 0.234 nan 4.350 nan 0.000 0.266 340 E C -1.262 175.467 176.600 0.215 0.000 0.914 340 E CA -1.262 55.253 56.400 0.191 0.000 0.794 340 E CB 2.737 32.552 29.700 0.190 0.000 1.210 340 E HN -0.420 8.154 8.360 0.357 0.000 0.414 341 N N 1.862 120.635 118.700 0.122 0.000 2.467 341 N HA 0.327 nan 4.740 nan 0.000 0.262 341 N C -1.695 173.871 175.510 0.093 0.000 1.234 341 N CA -1.720 51.381 53.050 0.084 0.000 0.952 341 N CB -0.441 38.034 38.487 -0.020 0.000 1.158 341 N HN 0.284 8.715 8.380 0.086 0.000 0.463 342 P HA 0.026 nan 4.420 nan 0.000 0.274 342 P C -0.781 176.653 177.300 0.224 0.000 1.256 342 P CA -0.427 62.744 63.100 0.119 0.000 0.795 342 P CB 0.880 32.632 31.700 0.086 0.000 1.038 343 G N -1.283 107.639 108.800 0.202 0.000 2.535 343 G HA2 0.201 nan 3.960 nan 0.000 0.282 343 G HA3 0.201 nan 3.960 nan 0.000 0.282 343 G C 0.562 175.592 174.900 0.216 0.000 1.350 343 G CA -1.610 43.625 45.100 0.225 0.000 1.039 343 G HN -0.267 7.999 8.290 0.138 0.107 0.509 344 V N -5.595 114.320 119.914 0.001 0.000 2.720 344 V HA -0.328 nan 4.120 nan 0.000 0.256 344 V C 1.860 177.944 176.094 -0.016 0.000 1.082 344 V CA 2.825 64.983 62.300 -0.237 0.000 1.101 344 V CB -0.415 31.272 31.823 -0.227 0.000 0.693 344 V HN 0.550 8.766 8.190 0.043 0.000 0.479 345 M N 0.533 120.179 119.600 0.078 0.000 2.279 345 M HA -0.307 nan 4.480 nan 0.000 0.264 345 M C 1.601 178.083 176.300 0.303 0.000 1.062 345 M CA 2.241 57.645 55.300 0.173 0.000 1.099 345 M CB -0.936 31.687 32.600 0.038 0.000 1.394 345 M HN -0.262 8.010 8.290 0.063 0.056 0.426 346 S N -0.615 115.224 115.700 0.233 0.000 2.447 346 S HA -0.282 nan 4.470 nan 0.000 0.233 346 S C -0.743 174.011 174.600 0.257 0.000 1.006 346 S CA 3.441 61.790 58.200 0.248 0.000 0.957 346 S CB 0.162 63.462 63.200 0.167 0.000 0.773 346 S HN -0.559 7.818 8.310 0.180 0.041 0.507 347 D N -2.555 117.994 120.400 0.249 0.000 2.350 347 D HA 0.342 nan 4.640 nan 0.000 0.245 347 D C -0.387 176.081 176.300 0.279 0.000 1.036 347 D CA -1.128 53.012 54.000 0.234 0.000 0.848 347 D CB 2.939 43.878 40.800 0.231 0.000 1.307 347 D HN -0.652 7.704 8.370 0.209 0.140 0.469 348 T N 4.060 118.771 114.554 0.261 0.000 2.915 348 T HA -0.078 nan 4.350 nan 0.000 0.269 348 T C 2.203 177.215 174.700 0.520 0.000 1.071 348 T CA 3.689 66.016 62.100 0.379 0.000 1.132 348 T CB -0.236 68.622 68.868 -0.016 0.000 0.878 348 T HN 0.351 8.722 8.240 0.219 0.000 0.479 349 S N 1.489 117.447 115.700 0.431 0.000 2.371 349 S HA -0.178 nan 4.470 nan 0.000 0.224 349 S C 0.973 175.539 174.600 -0.055 0.000 1.029 349 S CA 3.608 61.924 58.200 0.194 0.000 0.978 349 S CB 0.023 63.219 63.200 -0.007 0.000 0.833 349 S HN -0.254 8.620 8.310 0.492 -0.269 0.466 350 T N -5.151 109.353 114.554 -0.084 0.000 3.035 350 T HA 0.228 nan 4.350 nan 0.000 0.259 350 T C 2.392 176.998 174.700 -0.156 0.000 1.078 350 T CA 1.331 63.301 62.100 -0.216 0.000 1.132 350 T CB -0.070 68.555 68.868 -0.405 0.000 0.900 350 T HN -0.144 8.098 8.240 0.003 0.000 0.480 351 S N 4.313 120.001 115.700 -0.020 0.000 2.400 351 S HA -0.343 nan 4.470 nan 0.000 0.232 351 S C 2.075 176.531 174.600 -0.241 0.000 1.025 351 S CA 3.599 61.821 58.200 0.038 0.000 0.993 351 S CB -1.143 62.300 63.200 0.405 0.000 0.808 351 S HN 0.160 8.529 8.310 0.097 0.000 0.478 352 L N 1.681 122.590 121.223 -0.524 0.000 2.201 352 L HA -0.223 nan 4.340 nan 0.000 0.212 352 L C 1.687 178.306 176.870 -0.419 0.000 1.105 352 L CA 2.150 56.507 54.840 -0.805 0.000 0.775 352 L CB -0.762 40.906 42.059 -0.651 0.000 0.913 352 L HN -0.328 7.637 8.230 -0.388 0.032 0.440 353 R N -2.832 117.491 120.500 -0.296 0.000 2.092 353 R HA -0.278 nan 4.340 nan 0.000 0.231 353 R C 0.021 176.041 176.300 -0.466 0.000 1.119 353 R CA 2.176 58.124 56.100 -0.253 0.000 0.970 353 R CB -0.335 29.878 30.300 -0.146 0.000 0.864 353 R HN -0.120 7.944 8.270 -0.278 0.039 0.440 354 D N 0.713 120.828 120.400 -0.476 0.000 2.351 354 D HA 0.268 nan 4.640 nan 0.000 0.251 354 D C -0.783 175.345 176.300 -0.287 0.000 1.137 354 D CA -2.633 51.005 54.000 -0.603 0.000 0.879 354 D CB 0.796 41.437 40.800 -0.264 0.000 1.181 354 D HN -0.760 7.389 8.370 -0.319 0.029 0.448 355 P HA -0.027 nan 4.420 nan 0.000 0.223 355 P C 0.735 178.094 177.300 0.099 0.000 1.151 355 P CA 1.538 64.666 63.100 0.047 0.000 0.787 355 P CB 0.029 31.764 31.700 0.058 0.000 0.788 356 I N -5.122 115.448 120.570 -0.000 0.000 2.454 356 I HA -0.410 nan 4.170 nan 0.000 0.254 356 I C 1.009 177.111 176.117 -0.025 0.000 1.156 356 I CA 2.934 64.222 61.300 -0.021 0.000 1.433 356 I CB -0.550 37.388 38.000 -0.104 0.000 1.082 356 I HN -0.576 7.857 8.210 -0.056 -0.257 0.432 357 F N 1.996 121.796 119.950 -0.250 0.000 2.091 357 F HA -0.488 nan 4.527 nan 0.000 0.299 357 F C 1.137 176.796 175.800 -0.234 0.000 1.103 357 F CA 4.544 62.361 58.000 -0.305 0.000 1.228 357 F CB -0.039 38.577 39.000 -0.640 0.000 0.984 357 F HN -0.510 7.644 8.300 -0.000 0.147 0.477 358 Y N -3.197 117.216 120.300 0.189 0.000 2.242 358 Y HA -0.426 nan 4.550 nan 0.000 0.291 358 Y C 2.089 178.029 175.900 0.066 0.000 1.137 358 Y CA 4.025 62.158 58.100 0.055 0.000 1.181 358 Y CB -0.675 37.591 38.460 -0.323 0.000 0.989 358 Y HN -0.761 7.443 8.280 -0.095 0.018 0.527 359 R N -0.390 120.226 120.500 0.194 0.000 2.073 359 R HA -0.419 nan 4.340 nan 0.000 0.234 359 R C 2.247 178.651 176.300 0.173 0.000 1.134 359 R CA 3.530 59.746 56.100 0.192 0.000 0.952 359 R CB -0.159 30.258 30.300 0.196 0.000 0.850 359 R HN -0.623 7.668 8.270 0.177 0.085 0.433 360 W N -0.036 121.192 121.300 -0.121 0.000 2.381 360 W HA -0.330 nan 4.660 nan 0.000 0.301 360 W C 1.703 178.126 176.519 -0.159 0.000 1.205 360 W CA 3.721 60.925 57.345 -0.234 0.000 1.285 360 W CB 0.072 29.180 29.460 -0.586 0.000 1.133 360 W HN 0.078 8.322 8.180 0.107 0.000 0.521 361 H N -0.962 117.971 119.070 -0.229 0.000 2.423 361 H HA -0.281 nan 4.556 nan 0.000 0.297 361 H C 2.870 178.139 175.328 -0.098 0.000 1.075 361 H CA 5.083 61.004 56.048 -0.211 0.000 1.342 361 H CB -0.091 29.529 29.762 -0.237 0.000 1.395 361 H HN -0.113 8.174 8.280 0.012 0.000 0.530 362 R N -0.697 119.849 120.500 0.077 0.000 2.092 362 R HA -0.288 nan 4.340 nan 0.000 0.231 362 R C 2.052 178.359 176.300 0.012 0.000 1.119 362 R CA 2.485 58.632 56.100 0.078 0.000 0.970 362 R CB -0.847 29.524 30.300 0.119 0.000 0.864 362 R HN 0.332 8.568 8.270 0.119 0.105 0.440 363 F N 1.507 121.331 119.950 -0.210 0.000 2.102 363 F HA -0.317 nan 4.527 nan 0.000 0.298 363 F C 1.674 177.279 175.800 -0.325 0.000 1.105 363 F CA 3.532 61.352 58.000 -0.301 0.000 1.239 363 F CB 0.102 38.768 39.000 -0.557 0.000 0.991 363 F HN -0.599 7.641 8.300 0.040 0.084 0.474 364 I N -4.978 115.340 120.570 -0.420 0.000 2.315 364 I HA -0.548 nan 4.170 nan 0.000 0.248 364 I C 1.496 177.666 176.117 0.089 0.000 1.117 364 I CA 3.345 64.496 61.300 -0.249 0.000 1.404 364 I CB -0.633 37.353 38.000 -0.023 0.000 1.071 364 I HN -0.113 7.792 8.210 -0.508 0.000 0.419 365 D N 0.401 120.909 120.400 0.180 0.000 2.149 365 D HA -0.327 nan 4.640 nan 0.000 0.198 365 D C 2.174 178.645 176.300 0.285 0.000 0.990 365 D CA 3.199 57.435 54.000 0.394 0.000 0.839 365 D CB -0.326 40.581 40.800 0.178 0.000 0.948 365 D HN 0.163 8.351 8.370 0.042 0.208 0.460 366 N N -0.986 117.711 118.700 -0.006 0.000 2.149 366 N HA -0.268 nan 4.740 nan 0.000 0.188 366 N C 2.412 177.840 175.510 -0.136 0.000 1.019 366 N CA 3.068 56.068 53.050 -0.083 0.000 0.857 366 N CB -0.156 38.203 38.487 -0.214 0.000 0.997 366 N HN -0.110 8.102 8.380 -0.093 0.112 0.426 367 I N -0.262 120.128 120.570 -0.301 0.000 2.226 367 I HA -0.522 nan 4.170 nan 0.000 0.245 367 I C 1.636 177.555 176.117 -0.330 0.000 1.100 367 I CA 3.710 64.772 61.300 -0.397 0.000 1.374 367 I CB -0.166 37.474 38.000 -0.601 0.000 1.057 367 I HN -0.431 7.422 8.210 -0.342 0.152 0.413 368 F N -1.712 118.203 119.950 -0.058 0.000 2.171 368 F HA -0.424 nan 4.527 nan 0.000 0.300 368 F C 2.324 178.081 175.800 -0.072 0.000 1.090 368 F CA 4.051 61.968 58.000 -0.138 0.000 1.293 368 F CB -0.777 38.030 39.000 -0.321 0.000 1.013 368 F HN -0.833 7.339 8.300 -0.086 0.077 0.486 369 Q N -1.893 118.014 119.800 0.179 0.000 2.124 369 Q HA -0.356 nan 4.340 nan 0.000 0.202 369 Q C 2.754 178.801 176.000 0.078 0.000 0.977 369 Q CA 3.026 58.908 55.803 0.133 0.000 0.850 369 Q CB -0.880 27.927 28.738 0.115 0.000 0.901 369 Q HN 0.175 8.478 8.270 0.221 0.100 0.429 370 E N -0.587 119.629 120.200 0.028 0.000 2.110 370 E HA -0.376 nan 4.350 nan 0.000 0.193 370 E C 2.371 178.993 176.600 0.037 0.000 0.988 370 E CA 2.824 59.226 56.400 0.003 0.000 0.804 370 E CB -0.230 29.444 29.700 -0.045 0.000 0.745 370 E HN -0.144 8.128 8.360 -0.005 0.085 0.458 371 H N 0.513 119.574 119.070 -0.015 0.000 2.353 371 H HA -0.256 nan 4.556 nan 0.000 0.300 371 H C 2.357 177.849 175.328 0.274 0.000 1.090 371 H CA 3.744 59.836 56.048 0.074 0.000 1.327 371 H CB 0.151 29.951 29.762 0.062 0.000 1.383 371 H HN -0.702 7.581 8.280 0.121 0.069 0.508 372 K N -1.800 118.739 120.400 0.232 0.000 2.147 372 K HA -0.295 nan 4.320 nan 0.000 0.205 372 K C 2.984 179.703 176.600 0.198 0.000 1.049 372 K CA 2.366 58.775 56.287 0.202 0.000 0.936 372 K CB -0.738 31.823 32.500 0.102 0.000 0.722 372 K HN -0.091 8.193 8.250 0.203 0.088 0.446 373 K N -0.503 119.950 120.400 0.088 0.000 2.097 373 K HA -0.235 nan 4.320 nan 0.000 0.206 373 K C 1.584 178.157 176.600 -0.045 0.000 1.049 373 K CA 2.707 59.004 56.287 0.017 0.000 0.933 373 K CB -0.316 32.178 32.500 -0.009 0.000 0.717 373 K HN 0.077 8.248 8.250 0.081 0.128 0.442 374 S N -1.489 114.153 115.700 -0.096 0.000 2.447 374 S HA -0.198 nan 4.470 nan 0.000 0.233 374 S C 0.399 174.749 174.600 -0.416 0.000 1.006 374 S CA 2.280 60.333 58.200 -0.245 0.000 0.957 374 S CB 0.729 63.762 63.200 -0.278 0.000 0.773 374 S HN -0.519 7.630 8.310 -0.064 0.122 0.507 375 F N 1.207 121.038 119.950 -0.198 0.000 2.382 375 F HA 0.013 nan 4.527 nan 0.000 0.331 375 F C 0.169 175.835 175.800 -0.222 0.000 1.121 375 F CA 1.085 58.983 58.000 -0.169 0.000 1.183 375 F CB 1.017 39.941 39.000 -0.126 0.000 1.207 375 F HN -0.695 7.546 8.300 0.200 0.179 0.555 376 H N 1.695 120.786 119.070 0.035 0.000 2.607 376 H HA 0.161 nan 4.556 nan 0.000 0.367 376 H C -1.619 173.641 175.328 -0.113 0.000 1.181 376 H CA -0.601 55.427 56.048 -0.034 0.000 1.402 376 H CB 0.290 30.032 29.762 -0.034 0.000 1.474 376 H HN 0.065 8.501 8.280 0.258 0.000 0.596 377 P HA 0.063 nan 4.420 nan 0.000 0.277 377 P C -1.433 175.798 177.300 -0.115 0.000 1.276 377 P CA -0.258 62.794 63.100 -0.080 0.000 0.788 377 P CB 0.648 32.374 31.700 0.044 0.000 1.114 378 Y N -0.766 119.635 120.300 0.168 0.000 2.320 378 Y HA 0.098 nan 4.550 nan 0.000 0.334 378 Y C 0.435 176.401 175.900 0.110 0.000 1.055 378 Y CA 0.255 58.453 58.100 0.164 0.000 1.143 378 Y CB 0.952 39.541 38.460 0.216 0.000 1.193 378 Y HN 0.235 8.618 8.280 0.171 0.000 0.477 379 T N 4.878 119.579 114.554 0.245 0.000 2.816 379 T HA 0.235 nan 4.350 nan 0.000 0.282 379 T C 0.550 175.304 174.700 0.090 0.000 0.993 379 T CA -0.746 61.429 62.100 0.124 0.000 0.994 379 T CB 1.320 70.243 68.868 0.091 0.000 1.025 379 T HN 0.250 8.655 8.240 0.276 0.000 0.529 380 K N 1.184 121.596 120.400 0.019 0.000 2.147 380 K HA -0.345 nan 4.320 nan 0.000 0.205 380 K C 2.279 178.889 176.600 0.018 0.000 1.049 380 K CA 3.146 59.420 56.287 -0.021 0.000 0.936 380 K CB 0.008 32.486 32.500 -0.037 0.000 0.722 380 K HN 0.305 8.562 8.250 0.012 0.000 0.446 381 E N -1.570 118.652 120.200 0.038 0.000 2.058 381 E HA -0.310 nan 4.350 nan 0.000 0.194 381 E C 1.129 177.772 176.600 0.071 0.000 0.997 381 E CA 2.847 59.273 56.400 0.043 0.000 0.801 381 E CB -0.627 29.099 29.700 0.043 0.000 0.746 381 E HN 0.089 8.458 8.360 0.036 0.012 0.450 382 E N -2.116 118.153 120.200 0.115 0.000 2.072 382 E HA -0.165 nan 4.350 nan 0.000 0.191 382 E C 1.740 178.422 176.600 0.137 0.000 0.985 382 E CA 2.191 58.673 56.400 0.137 0.000 0.801 382 E CB -0.158 29.700 29.700 0.264 0.000 0.750 382 E HN -0.617 7.732 8.360 0.133 0.091 0.452 383 L N -3.128 118.180 121.223 0.141 0.000 2.044 383 L HA -0.231 nan 4.340 nan 0.000 0.205 383 L C 0.819 177.763 176.870 0.124 0.000 1.075 383 L CA 2.013 56.939 54.840 0.144 0.000 0.747 383 L CB 0.363 42.423 42.059 0.002 0.000 0.903 383 L HN -0.674 7.629 8.230 0.123 0.000 0.435 384 S N -3.150 112.595 115.700 0.075 0.000 2.572 384 S HA -0.079 nan 4.470 nan 0.000 0.279 384 S C -1.062 173.630 174.600 0.152 0.000 1.341 384 S CA 1.675 59.922 58.200 0.079 0.000 1.043 384 S CB 0.741 63.951 63.200 0.017 0.000 0.887 384 S HN -0.275 7.970 8.310 0.058 0.100 0.516 385 F N 6.021 125.974 119.950 0.005 0.000 2.434 385 F HA 0.358 nan 4.527 nan 0.000 0.355 385 F C -2.712 173.088 175.800 -0.000 0.000 1.115 385 F CA -3.471 54.534 58.000 0.008 0.000 1.010 385 F CB 2.788 41.795 39.000 0.011 0.000 1.234 385 F HN -0.376 8.238 8.300 0.213 -0.186 0.439 386 P HA 0.060 nan 4.420 nan 0.000 0.275 386 P C -0.587 176.468 177.300 -0.408 0.000 1.228 386 P CA -0.045 62.851 63.100 -0.339 0.000 0.786 386 P CB 0.469 32.021 31.700 -0.247 0.000 0.927 387 G N 0.535 109.223 108.800 -0.187 0.000 2.253 387 G HA2 -0.307 nan 3.960 nan 0.000 0.251 387 G HA3 -0.307 nan 3.960 nan 0.000 0.251 387 G C -1.201 173.678 174.900 -0.036 0.000 0.998 387 G CA 0.549 45.577 45.100 -0.121 0.000 0.621 387 G HN 0.091 8.304 8.290 -0.128 0.000 0.524 388 V N 1.492 121.416 119.914 0.017 0.000 2.435 388 V HA 0.403 nan 4.120 nan 0.000 0.290 388 V C -1.420 174.722 176.094 0.081 0.000 1.030 388 V CA -0.770 61.612 62.300 0.138 0.000 0.881 388 V CB 0.672 32.724 31.823 0.382 0.000 0.983 388 V HN -0.727 7.353 8.190 -0.040 0.086 0.445 389 E N 6.951 127.179 120.200 0.046 0.000 2.272 389 E HA 0.437 nan 4.350 nan 0.000 0.269 389 E C -1.586 175.018 176.600 0.006 0.000 0.877 389 E CA -1.640 54.772 56.400 0.020 0.000 0.755 389 E CB 4.742 34.446 29.700 0.007 0.000 1.192 389 E HN 0.335 8.722 8.360 0.045 0.000 0.422 390 V N 6.746 126.654 119.914 -0.011 0.000 2.348 390 V HA 0.275 nan 4.120 nan 0.000 0.270 390 V C -0.103 175.978 176.094 -0.022 0.000 1.037 390 V CA -0.011 62.271 62.300 -0.030 0.000 0.872 390 V CB -0.597 31.188 31.823 -0.063 0.000 1.002 390 V HN 0.308 8.491 8.190 -0.011 0.000 0.464 391 V N 8.083 127.988 119.914 -0.016 0.000 2.323 391 V HA -0.015 nan 4.120 nan 0.000 0.244 391 V C 0.189 176.279 176.094 -0.007 0.000 1.041 391 V CA 1.783 64.078 62.300 -0.008 0.000 1.025 391 V CB 0.471 32.292 31.823 -0.004 0.000 0.656 391 V HN 0.670 8.850 8.190 -0.017 0.000 0.451 392 G N -4.536 104.258 108.800 -0.010 0.000 2.489 392 G HA2 0.151 nan 3.960 nan 0.000 0.291 392 G HA3 0.151 nan 3.960 nan 0.000 0.291 392 G C -3.243 171.656 174.900 -0.000 0.000 1.487 392 G CA 0.632 45.731 45.100 -0.002 0.000 0.795 392 G HN -0.821 7.459 8.290 -0.017 0.000 0.513 393 V N -0.921 119.002 119.914 0.015 0.000 2.925 393 V HA 0.704 nan 4.120 nan 0.000 0.311 393 V C -1.448 174.683 176.094 0.061 0.000 1.104 393 V CA -1.577 60.745 62.300 0.037 0.000 0.954 393 V CB 3.500 35.342 31.823 0.031 0.000 1.022 393 V HN 0.280 8.482 8.190 0.020 0.000 0.427 394 S N 2.484 118.238 115.700 0.090 0.000 2.546 394 S HA 0.690 nan 4.470 nan 0.000 0.274 394 S C -1.883 172.785 174.600 0.113 0.000 1.121 394 S CA -1.084 57.165 58.200 0.080 0.000 0.887 394 S CB 3.507 66.737 63.200 0.051 0.000 1.094 394 S HN 0.310 8.683 8.310 0.105 0.000 0.474 395 I N -1.592 119.022 120.570 0.073 0.000 2.404 395 I HA 0.651 nan 4.170 nan 0.000 0.293 395 I C -1.793 174.323 176.117 -0.001 0.000 0.992 395 I CA -2.107 59.208 61.300 0.024 0.000 1.149 395 I CB 1.279 39.238 38.000 -0.067 0.000 1.315 395 I HN 0.358 8.893 8.210 0.053 -0.294 0.446 396 N N 8.146 126.851 118.700 0.009 0.000 2.400 396 N HA 0.439 nan 4.740 nan 0.000 0.288 396 N C -1.459 174.079 175.510 0.048 0.000 1.024 396 N CA 0.194 53.257 53.050 0.022 0.000 0.894 396 N CB 2.239 40.739 38.487 0.021 0.000 1.173 396 N HN 0.576 8.847 8.380 0.001 0.109 0.487 397 S N 2.748 118.469 115.700 0.034 0.000 2.929 397 S HA 0.197 nan 4.470 nan 0.000 0.311 397 S C -0.709 173.903 174.600 0.020 0.000 1.213 397 S CA -0.412 57.817 58.200 0.048 0.000 0.908 397 S CB 2.271 65.495 63.200 0.040 0.000 1.287 397 S HN 0.024 8.345 8.310 0.017 0.000 0.594 398 K N 1.998 122.404 120.400 0.010 0.000 2.032 398 K HA -0.149 nan 4.320 nan 0.000 0.209 398 K C 0.006 176.602 176.600 -0.007 0.000 1.048 398 K CA 1.837 58.121 56.287 -0.005 0.000 0.927 398 K CB 0.282 32.770 32.500 -0.020 0.000 0.712 398 K HN 0.060 8.660 8.250 0.015 -0.340 0.441 399 T N 0.426 114.975 114.554 -0.009 0.000 2.807 399 T HA 0.186 nan 4.350 nan 0.000 0.279 399 T C -1.536 173.160 174.700 -0.007 0.000 0.993 399 T CA -0.676 61.419 62.100 -0.009 0.000 0.970 399 T CB 1.973 70.833 68.868 -0.013 0.000 0.950 399 T HN -0.167 8.072 8.240 -0.010 -0.005 0.441 400 A N 4.005 126.825 122.820 -0.002 0.000 2.462 400 A HA -0.084 nan 4.320 nan 0.000 0.243 400 A C 0.159 177.741 177.584 -0.003 0.000 1.076 400 A CA 0.778 52.815 52.037 0.000 0.000 0.773 400 A CB 0.034 19.039 19.000 0.008 0.000 1.010 400 A HN 0.319 8.469 8.150 0.000 0.000 0.493 401 N N -2.424 116.269 118.700 -0.011 0.000 2.800 401 N HA -0.425 nan 4.740 nan 0.000 0.250 401 N C -1.542 173.955 175.510 -0.022 0.000 1.078 401 N CA 1.188 54.231 53.050 -0.011 0.000 0.804 401 N CB -1.515 36.981 38.487 0.015 0.000 1.135 401 N HN 0.269 8.534 8.380 -0.015 0.105 0.565 402 V N -8.417 111.475 119.914 -0.037 0.000 2.709 402 V HA 0.787 nan 4.120 nan 0.000 0.308 402 V C -2.172 173.882 176.094 -0.067 0.000 1.062 402 V CA -2.299 59.979 62.300 -0.037 0.000 0.901 402 V CB 3.091 34.902 31.823 -0.020 0.000 1.003 402 V HN -0.603 7.512 8.190 -0.036 0.054 0.425 403 I N 4.135 124.653 120.570 -0.086 0.000 2.474 403 I HA 0.464 nan 4.170 nan 0.000 0.294 403 I C -1.915 174.185 176.117 -0.027 0.000 1.005 403 I CA -1.829 59.415 61.300 -0.095 0.000 1.113 403 I CB 3.733 41.598 38.000 -0.224 0.000 1.289 403 I HN 0.708 8.878 8.210 -0.067 0.000 0.436 404 T N 9.157 123.717 114.554 0.010 0.000 2.859 404 T HA 0.545 nan 4.350 nan 0.000 0.281 404 T C -1.942 172.790 174.700 0.054 0.000 1.005 404 T CA -0.811 61.290 62.100 0.002 0.000 1.025 404 T CB 1.869 70.709 68.868 -0.047 0.000 0.977 404 T HN 0.219 8.484 8.240 0.042 0.000 0.458 405 T N 5.890 120.476 114.554 0.053 0.000 2.876 405 T HA 0.964 nan 4.350 nan 0.000 0.289 405 T C -2.369 172.279 174.700 -0.086 0.000 1.014 405 T CA -1.691 60.495 62.100 0.144 0.000 0.986 405 T CB 1.315 70.375 68.868 0.320 0.000 1.021 405 T HN 0.240 8.491 8.240 0.017 0.000 0.458 406 L N 3.975 125.190 121.223 -0.014 0.000 2.510 406 L HA 0.745 nan 4.340 nan 0.000 0.252 406 L C -1.921 175.039 176.870 0.149 0.000 1.091 406 L CA -1.053 53.670 54.840 -0.195 0.000 0.888 406 L CB 4.285 46.253 42.059 -0.152 0.000 1.507 406 L HN 1.000 9.195 8.230 0.128 0.112 0.407 407 I N -0.843 119.807 120.570 0.133 0.000 2.412 407 I HA 0.505 nan 4.170 nan 0.000 0.296 407 I C -1.934 174.180 176.117 -0.006 0.000 0.987 407 I CA -2.506 58.873 61.300 0.131 0.000 1.180 407 I CB 1.603 39.718 38.000 0.192 0.000 1.340 407 I HN 0.203 8.437 8.210 0.041 0.000 0.455 408 K N 8.038 128.320 120.400 -0.197 0.000 2.371 408 K HA 0.433 nan 4.320 nan 0.000 0.251 408 K C -1.739 174.661 176.600 -0.334 0.000 0.934 408 K CA -2.143 53.980 56.287 -0.273 0.000 0.798 408 K CB 3.412 35.682 32.500 -0.383 0.000 1.204 408 K HN 0.869 8.815 8.250 -0.332 0.105 0.427 409 E N 3.163 123.232 120.200 -0.218 0.000 2.313 409 E HA 0.450 nan 4.350 nan 0.000 0.272 409 E C -1.197 175.151 176.600 -0.420 0.000 1.038 409 E CA -0.852 55.312 56.400 -0.394 0.000 0.863 409 E CB 1.163 30.662 29.700 -0.336 0.000 1.060 409 E HN 0.295 8.567 8.360 -0.145 0.000 0.402 410 S N 1.465 116.768 115.700 -0.662 0.000 2.607 410 S HA 0.399 nan 4.470 nan 0.000 0.273 410 S C -2.152 171.951 174.600 -0.827 0.000 1.148 410 S CA -1.271 56.534 58.200 -0.658 0.000 0.833 410 S CB 2.505 65.329 63.200 -0.626 0.000 1.130 410 S HN 0.727 8.530 8.310 -0.846 0.000 0.470 411 L N 0.829 121.785 121.223 -0.445 0.000 2.370 411 L HA 0.769 nan 4.340 nan 0.000 0.266 411 L C -1.553 175.305 176.870 -0.019 0.000 1.002 411 L CA -1.525 53.174 54.840 -0.235 0.000 0.818 411 L CB 3.077 45.061 42.059 -0.125 0.000 1.325 411 L HN 0.286 8.336 8.230 -0.302 0.000 0.418 412 L N 1.717 123.010 121.223 0.116 0.000 2.365 412 L HA 0.431 nan 4.340 nan 0.000 0.273 412 L C -2.032 174.879 176.870 0.068 0.000 1.000 412 L CA -1.627 53.302 54.840 0.147 0.000 0.819 412 L CB 4.606 46.789 42.059 0.207 0.000 1.284 412 L HN 0.884 9.065 8.230 0.103 0.111 0.418 413 E N 5.087 125.312 120.200 0.042 0.000 2.115 413 E HA 0.312 nan 4.350 nan 0.000 0.282 413 E C 0.039 176.647 176.600 0.013 0.000 0.987 413 E CA -0.598 55.813 56.400 0.018 0.000 0.797 413 E CB 0.728 30.436 29.700 0.013 0.000 1.086 413 E HN 0.334 8.721 8.360 0.045 0.000 0.397 414 L N 5.876 127.098 121.223 -0.002 0.000 2.240 414 L HA -0.098 nan 4.340 nan 0.000 0.211 414 L C 1.516 178.352 176.870 -0.057 0.000 1.106 414 L CA 2.300 57.139 54.840 -0.001 0.000 0.793 414 L CB -0.024 42.050 42.059 0.025 0.000 0.927 414 L HN 0.872 9.101 8.230 -0.001 0.000 0.446 415 S N -0.972 114.642 115.700 -0.144 0.000 2.387 415 S HA -0.411 nan 4.470 nan 0.000 0.230 415 S C 1.630 176.014 174.600 -0.361 0.000 1.035 415 S CA 3.182 61.236 58.200 -0.243 0.000 1.014 415 S CB -0.270 62.670 63.200 -0.434 0.000 0.836 415 S HN -0.044 8.186 8.310 -0.134 0.000 0.466 416 H N -0.994 117.901 119.070 -0.291 0.000 2.389 416 H HA -0.110 nan 4.556 nan 0.000 0.299 416 H C 1.717 176.869 175.328 -0.294 0.000 1.081 416 H CA 2.800 58.596 56.048 -0.420 0.000 1.345 416 H CB 0.021 29.395 29.762 -0.647 0.000 1.393 416 H HN -0.070 7.984 8.280 -0.347 0.017 0.520 417 G N -3.040 105.700 108.800 -0.099 0.000 2.394 417 G HA2 -0.107 nan 3.960 nan 0.000 0.214 417 G HA3 -0.107 nan 3.960 nan 0.000 0.214 417 G C -0.566 174.256 174.900 -0.130 0.000 1.176 417 G CA 0.960 45.978 45.100 -0.138 0.000 0.786 417 G HN -0.293 7.963 8.290 -0.057 0.000 0.533 418 I N -5.340 115.189 120.570 -0.069 0.000 2.797 418 I HA 0.455 nan 4.170 nan 0.000 0.307 418 I C -1.915 174.196 176.117 -0.009 0.000 1.033 418 I CA -3.556 57.726 61.300 -0.031 0.000 1.071 418 I CB 2.305 40.316 38.000 0.017 0.000 1.255 418 I HN -0.629 7.546 8.210 -0.058 0.000 0.445 419 N N 2.619 121.312 118.700 -0.013 0.000 2.434 419 N HA -0.193 nan 4.740 nan 0.000 0.268 419 N C -0.416 175.048 175.510 -0.076 0.000 1.256 419 N CA 0.723 53.744 53.050 -0.048 0.000 0.914 419 N CB -0.287 38.154 38.487 -0.078 0.000 1.088 419 N HN 0.018 8.394 8.380 -0.007 0.000 0.478 420 F N 1.188 121.122 119.950 -0.028 0.000 2.163 420 F HA -0.019 nan 4.527 nan 0.000 0.297 420 F C 0.202 175.993 175.800 -0.015 0.000 1.094 420 F CA 0.302 58.277 58.000 -0.041 0.000 1.290 420 F CB -0.028 38.924 39.000 -0.080 0.000 1.017 420 F HN -0.318 8.172 8.300 0.317 0.000 0.483 421 G N 0.329 108.606 108.800 -0.872 0.000 2.531 421 G HA2 -0.545 nan 3.960 nan 0.000 0.274 421 G HA3 -0.545 nan 3.960 nan 0.000 0.274 421 G C 0.546 175.394 174.900 -0.087 0.000 1.159 421 G CA 1.070 45.918 45.100 -0.420 0.000 0.969 421 G HN -0.407 6.924 8.290 -1.787 -0.114 0.554 422 T N 0.974 115.539 114.554 0.018 0.000 2.857 422 T HA -0.088 nan 4.350 nan 0.000 0.266 422 T C 0.630 175.414 174.700 0.139 0.000 1.048 422 T CA 0.597 62.747 62.100 0.084 0.000 1.139 422 T CB -0.081 68.814 68.868 0.044 0.000 0.874 422 T HN 0.608 8.839 8.240 -0.016 0.000 0.455 423 D N 1.963 122.445 120.400 0.137 0.000 2.443 423 D HA -0.062 nan 4.640 nan 0.000 0.239 423 D C 0.189 176.553 176.300 0.105 0.000 1.136 423 D CA -0.048 54.015 54.000 0.105 0.000 0.879 423 D CB -0.188 40.659 40.800 0.078 0.000 1.195 423 D HN -0.705 7.739 8.370 0.124 0.000 0.443 424 Q N 2.639 122.454 119.800 0.026 0.000 2.079 424 Q HA -0.193 nan 4.340 nan 0.000 0.200 424 Q C 0.187 176.132 176.000 -0.092 0.000 0.974 424 Q CA 3.269 59.047 55.803 -0.041 0.000 0.840 424 Q CB 0.966 29.680 28.738 -0.039 0.000 0.898 424 Q HN -0.052 8.233 8.270 0.026 0.000 0.430 425 S N -4.763 110.906 115.700 -0.051 0.000 2.537 425 S HA 0.386 nan 4.470 nan 0.000 0.271 425 S C -2.713 171.870 174.600 -0.027 0.000 1.148 425 S CA -0.413 57.743 58.200 -0.073 0.000 0.868 425 S CB 2.149 65.302 63.200 -0.078 0.000 1.115 425 S HN -0.533 7.767 8.310 -0.017 0.000 0.461 426 V N -0.195 119.705 119.914 -0.024 0.000 2.444 426 V HA 0.826 nan 4.120 nan 0.000 0.294 426 V C -1.851 174.243 176.094 0.000 0.000 1.022 426 V CA -2.478 59.823 62.300 0.003 0.000 0.850 426 V CB 1.743 33.580 31.823 0.023 0.000 0.992 426 V HN 0.056 8.217 8.190 -0.048 0.000 0.426 427 K N 4.749 125.153 120.400 0.005 0.000 2.318 427 K HA 0.845 nan 4.320 nan 0.000 0.249 427 K C -2.271 174.345 176.600 0.026 0.000 0.942 427 K CA -2.461 53.832 56.287 0.010 0.000 0.808 427 K CB 3.487 35.981 32.500 -0.010 0.000 1.189 427 K HN 0.094 8.348 8.250 0.007 0.000 0.428 428 V N 1.906 121.854 119.914 0.056 0.000 2.513 428 V HA 0.624 nan 4.120 nan 0.000 0.299 428 V C -2.245 173.886 176.094 0.062 0.000 1.035 428 V CA -2.847 59.500 62.300 0.079 0.000 0.889 428 V CB 3.252 35.154 31.823 0.132 0.000 0.988 428 V HN 0.687 8.919 8.190 0.071 0.000 0.440 429 K N 9.259 129.661 120.400 0.004 0.000 2.183 429 K HA 0.732 nan 4.320 nan 0.000 0.274 429 K C -1.857 174.686 176.600 -0.094 0.000 1.009 429 K CA -1.365 54.836 56.287 -0.144 0.000 0.888 429 K CB 2.302 34.703 32.500 -0.164 0.000 1.078 429 K HN 0.897 9.065 8.250 0.030 0.099 0.459 430 Y N 2.946 123.154 120.300 -0.154 0.000 2.638 430 Y HA 0.464 nan 4.550 nan 0.000 0.339 430 Y C -2.348 173.380 175.900 -0.287 0.000 1.084 430 Y CA -2.624 55.411 58.100 -0.109 0.000 1.068 430 Y CB 2.279 40.761 38.460 0.038 0.000 1.294 430 Y HN 0.973 8.609 8.280 -0.885 0.114 0.480 431 H N -1.147 118.098 119.070 0.291 0.000 2.622 431 H HA 0.774 nan 4.556 nan 0.000 0.363 431 H C -0.506 174.975 175.328 0.256 0.000 1.151 431 H CA -1.672 54.448 56.048 0.120 0.000 1.184 431 H CB 3.704 33.509 29.762 0.071 0.000 1.643 431 H HN 0.202 8.788 8.280 0.510 0.000 0.531 432 H N -2.103 117.123 119.070 0.259 0.000 3.008 432 H HA 0.324 nan 4.556 nan 0.000 0.354 432 H C -2.246 173.177 175.328 0.159 0.000 1.252 432 H CA -2.151 53.999 56.048 0.170 0.000 1.117 432 H CB 2.667 32.394 29.762 -0.059 0.000 1.857 432 H HN 0.824 8.944 8.280 -0.267 0.000 0.547 433 L N -0.921 120.545 121.223 0.406 0.000 2.436 433 L HA 0.294 nan 4.340 nan 0.000 0.265 433 L C -0.496 176.670 176.870 0.493 0.000 1.168 433 L CA 0.282 55.337 54.840 0.358 0.000 0.815 433 L CB 0.878 43.121 42.059 0.308 0.000 1.109 433 L HN 0.332 8.856 8.230 0.490 0.000 0.462 434 D N 3.479 124.087 120.400 0.346 0.000 2.599 434 D HA 0.326 nan 4.640 nan 0.000 0.252 434 D C -2.507 173.920 176.300 0.212 0.000 1.232 434 D CA -1.034 53.136 54.000 0.284 0.000 0.819 434 D CB 3.880 44.789 40.800 0.181 0.000 1.401 434 D HN 0.735 9.287 8.370 0.304 0.000 0.429 435 H N -2.253 116.894 119.070 0.129 0.000 2.946 435 H HA 0.740 nan 4.556 nan 0.000 0.365 435 H C -1.482 173.842 175.328 -0.007 0.000 1.197 435 H CA -2.108 53.980 56.048 0.066 0.000 1.131 435 H CB 3.006 32.822 29.762 0.090 0.000 1.849 435 H HN 0.014 8.095 8.280 -0.332 0.000 0.555 436 E N 1.147 121.431 120.200 0.140 0.000 2.390 436 E HA 0.041 nan 4.350 nan 0.000 0.261 436 E C -1.613 175.031 176.600 0.073 0.000 1.076 436 E CA -1.915 54.517 56.400 0.054 0.000 0.905 436 E CB 1.182 30.917 29.700 0.058 0.000 0.984 436 E HN 0.058 8.529 8.360 0.185 0.000 0.427 437 P HA 0.099 nan 4.420 nan 0.000 0.275 437 P C -2.054 175.258 177.300 0.019 0.000 1.228 437 P CA 0.289 63.276 63.100 -0.189 0.000 0.786 437 P CB 0.598 32.393 31.700 0.159 0.000 0.927 438 F N -4.088 115.909 119.950 0.078 0.000 2.711 438 F HA 0.650 nan 4.527 nan 0.000 0.313 438 F C -2.170 173.558 175.800 -0.119 0.000 1.141 438 F CA -2.237 55.725 58.000 -0.063 0.000 0.941 438 F CB 2.267 41.159 39.000 -0.181 0.000 1.349 438 F HN -0.498 7.449 8.300 -0.588 0.000 0.464 439 T N -1.412 113.171 114.554 0.049 0.000 2.901 439 T HA 0.786 nan 4.350 nan 0.000 0.293 439 T C -2.119 172.477 174.700 -0.173 0.000 1.084 439 T CA -1.947 60.089 62.100 -0.107 0.000 1.008 439 T CB 3.155 71.996 68.868 -0.045 0.000 1.170 439 T HN 0.266 8.582 8.240 0.126 0.000 0.509 440 Y N 0.336 120.724 120.300 0.146 0.000 2.429 440 Y HA 0.610 nan 4.550 nan 0.000 0.342 440 Y C -1.770 174.156 175.900 0.043 0.000 1.004 440 Y CA -2.023 56.144 58.100 0.111 0.000 1.075 440 Y CB 3.292 41.825 38.460 0.122 0.000 1.214 440 Y HN 0.577 8.908 8.280 0.084 0.000 0.455 441 N N 1.870 120.682 118.700 0.186 0.000 2.448 441 N HA 0.459 nan 4.740 nan 0.000 0.279 441 N C -2.212 173.337 175.510 0.065 0.000 1.025 441 N CA -0.754 52.347 53.050 0.086 0.000 0.898 441 N CB 2.985 41.500 38.487 0.047 0.000 1.303 441 N HN 0.603 9.104 8.380 0.202 0.000 0.495 442 I N 6.656 127.237 120.570 0.019 0.000 2.406 442 I HA 0.590 nan 4.170 nan 0.000 0.290 442 I C -2.311 173.783 176.117 -0.038 0.000 0.999 442 I CA -2.384 58.909 61.300 -0.013 0.000 1.124 442 I CB 3.077 41.053 38.000 -0.041 0.000 1.289 442 I HN 0.580 8.786 8.210 -0.007 0.000 0.441 443 V N 9.776 129.675 119.914 -0.025 0.000 2.407 443 V HA 0.529 nan 4.120 nan 0.000 0.278 443 V C -1.549 174.530 176.094 -0.026 0.000 1.037 443 V CA -0.878 61.408 62.300 -0.023 0.000 0.900 443 V CB 0.457 32.274 31.823 -0.009 0.000 0.983 443 V HN 0.610 8.790 8.190 -0.016 0.000 0.459 444 V N 7.613 127.512 119.914 -0.025 0.000 2.735 444 V HA 0.581 nan 4.120 nan 0.000 0.310 444 V C -2.069 174.026 176.094 0.003 0.000 1.061 444 V CA -1.866 60.425 62.300 -0.015 0.000 0.913 444 V CB 3.623 35.432 31.823 -0.022 0.000 1.005 444 V HN 0.921 8.991 8.190 -0.024 0.106 0.428 445 E N 5.614 125.820 120.200 0.010 0.000 2.133 445 E HA 0.320 nan 4.350 nan 0.000 0.274 445 E C -2.036 174.580 176.600 0.027 0.000 0.930 445 E CA -2.209 54.200 56.400 0.015 0.000 0.770 445 E CB 2.500 32.205 29.700 0.009 0.000 1.104 445 E HN 0.733 9.099 8.360 0.009 0.000 0.403 446 N N 6.878 125.596 118.700 0.029 0.000 2.527 446 N HA 0.273 nan 4.740 nan 0.000 0.236 446 N C 0.588 176.110 175.510 0.020 0.000 0.999 446 N CA -1.577 51.497 53.050 0.040 0.000 0.935 446 N CB 0.528 39.041 38.487 0.044 0.000 1.132 446 N HN 0.247 8.641 8.380 0.023 0.000 0.511 447 N N 7.618 126.323 118.700 0.010 0.000 2.270 447 N HA -0.164 nan 4.740 nan 0.000 0.181 447 N C 0.481 175.985 175.510 -0.010 0.000 1.016 447 N CA 1.895 54.941 53.050 -0.006 0.000 0.870 447 N CB 0.099 38.574 38.487 -0.019 0.000 0.979 447 N HN 0.837 9.133 8.380 0.014 0.093 0.431 448 S N 0.882 116.576 115.700 -0.010 0.000 2.589 448 S HA 0.015 nan 4.470 nan 0.000 0.265 448 S C 1.328 175.927 174.600 -0.001 0.000 1.342 448 S CA 0.451 58.643 58.200 -0.013 0.000 1.005 448 S CB 0.841 64.035 63.200 -0.011 0.000 0.909 448 S HN -0.332 8.201 8.310 -0.000 -0.223 0.555 449 G N -0.882 107.916 108.800 -0.002 0.000 2.421 449 G HA2 -0.167 nan 3.960 nan 0.000 0.217 449 G HA3 -0.167 nan 3.960 nan 0.000 0.217 449 G C -1.104 173.799 174.900 0.005 0.000 1.143 449 G CA 0.411 45.512 45.100 0.001 0.000 0.784 449 G HN 0.416 8.702 8.290 -0.007 0.000 0.541 450 A N -0.582 122.244 122.820 0.010 0.000 2.288 450 A HA 0.282 nan 4.320 nan 0.000 0.328 450 A C -1.719 175.867 177.584 0.004 0.000 1.123 450 A CA -1.057 50.987 52.037 0.012 0.000 0.861 450 A CB 2.135 21.150 19.000 0.025 0.000 1.272 450 A HN -0.822 7.296 8.150 0.011 0.039 0.490 451 E N -0.391 119.797 120.200 -0.020 0.000 2.373 451 E HA -0.063 nan 4.350 nan 0.000 0.267 451 E C -0.978 175.554 176.600 -0.114 0.000 1.032 451 E CA 0.474 56.828 56.400 -0.076 0.000 0.889 451 E CB 0.596 30.223 29.700 -0.122 0.000 0.984 451 E HN 0.100 8.453 8.360 -0.012 0.000 0.425 452 K N 1.283 121.603 120.400 -0.133 0.000 2.295 452 K HA 0.446 nan 4.320 nan 0.000 0.239 452 K C -1.447 174.965 176.600 -0.314 0.000 0.991 452 K CA -2.545 53.697 56.287 -0.075 0.000 0.845 452 K CB 3.332 35.950 32.500 0.197 0.000 1.197 452 K HN 0.694 8.771 8.250 -0.115 0.104 0.441 453 H N -0.359 118.763 119.070 0.087 0.000 2.547 453 H HA 0.815 nan 4.556 nan 0.000 0.342 453 H C -0.668 174.608 175.328 -0.085 0.000 1.048 453 H CA -0.984 55.104 56.048 0.066 0.000 1.204 453 H CB 2.534 32.602 29.762 0.509 0.000 1.493 453 H HN 0.475 8.873 8.280 0.198 0.000 0.511 454 S N 2.608 118.150 115.700 -0.263 0.000 2.570 454 S HA 0.633 nan 4.470 nan 0.000 0.286 454 S C -1.150 173.324 174.600 -0.210 0.000 1.099 454 S CA -1.607 56.433 58.200 -0.266 0.000 0.913 454 S CB 2.519 65.513 63.200 -0.343 0.000 1.085 454 S HN 0.931 8.857 8.310 -0.639 0.000 0.480 455 T N 3.547 118.041 114.554 -0.100 0.000 2.749 455 T HA 0.475 nan 4.350 nan 0.000 0.287 455 T C -0.956 173.591 174.700 -0.255 0.000 0.970 455 T CA -0.002 62.054 62.100 -0.073 0.000 0.980 455 T CB 0.724 69.621 68.868 0.048 0.000 0.924 455 T HN 0.232 8.396 8.240 -0.126 0.000 0.456 456 V N 8.116 127.706 119.914 -0.540 0.000 2.439 456 V HA 0.509 nan 4.120 nan 0.000 0.282 456 V C -1.284 174.544 176.094 -0.444 0.000 1.039 456 V CA -0.887 61.047 62.300 -0.611 0.000 0.913 456 V CB 0.828 32.003 31.823 -1.080 0.000 0.983 456 V HN 1.152 8.796 8.190 -0.741 0.102 0.460 457 R N 6.029 126.425 120.500 -0.174 0.000 2.480 457 R HA 0.854 nan 4.340 nan 0.000 0.306 457 R C -1.476 174.846 176.300 0.036 0.000 0.958 457 R CA -1.448 54.655 56.100 0.004 0.000 0.861 457 R CB 2.671 33.136 30.300 0.275 0.000 1.171 457 R HN 0.944 9.127 8.270 -0.144 0.000 0.445 458 I N 2.931 123.444 120.570 -0.095 0.000 2.498 458 I HA 0.678 nan 4.170 nan 0.000 0.290 458 I C -1.714 174.289 176.117 -0.190 0.000 1.032 458 I CA -0.978 60.286 61.300 -0.060 0.000 1.073 458 I CB 3.120 40.991 38.000 -0.215 0.000 1.251 458 I HN 0.758 8.842 8.210 -0.210 0.000 0.426 459 F N 4.962 125.056 119.950 0.240 0.000 2.620 459 F HA 0.804 nan 4.527 nan 0.000 0.320 459 F C -2.205 173.750 175.800 0.259 0.000 1.069 459 F CA -1.560 56.590 58.000 0.249 0.000 0.953 459 F CB 4.555 43.699 39.000 0.240 0.000 1.322 459 F HN 0.579 9.182 8.300 0.504 0.000 0.479 460 L N 0.525 121.997 121.223 0.415 0.000 2.386 460 L HA 0.858 nan 4.340 nan 0.000 0.271 460 L C -2.498 174.537 176.870 0.275 0.000 0.993 460 L CA -1.686 53.331 54.840 0.295 0.000 0.819 460 L CB 4.187 46.307 42.059 0.102 0.000 1.294 460 L HN 0.635 9.101 8.230 0.394 0.000 0.414 461 A N 4.725 127.675 122.820 0.218 0.000 2.515 461 A HA 0.759 nan 4.320 nan 0.000 0.298 461 A C -3.601 174.010 177.584 0.044 0.000 1.059 461 A CA -2.764 49.194 52.037 -0.132 0.000 0.698 461 A CB 2.345 20.758 19.000 -0.979 0.000 1.289 461 A HN 0.802 9.130 8.150 0.296 0.000 0.404 462 P HA 0.089 nan 4.420 nan 0.000 0.271 462 P C -1.124 175.987 177.300 -0.315 0.000 1.216 462 P CA -0.551 62.361 63.100 -0.314 0.000 0.771 462 P CB 0.457 31.992 31.700 -0.275 0.000 0.864 463 K N 1.034 121.216 120.400 -0.364 0.000 2.076 463 K HA -0.076 nan 4.320 nan 0.000 0.204 463 K C 0.125 176.452 176.600 -0.455 0.000 1.051 463 K CA 2.283 58.350 56.287 -0.367 0.000 0.949 463 K CB 1.054 33.300 32.500 -0.423 0.000 0.726 463 K HN -0.117 7.831 8.250 -0.503 0.000 0.443 464 Y N -4.618 115.531 120.300 -0.252 0.000 2.310 464 Y HA -0.014 nan 4.550 nan 0.000 0.326 464 Y C -0.325 175.474 175.900 -0.169 0.000 1.151 464 Y CA 0.681 58.672 58.100 -0.183 0.000 1.195 464 Y CB 0.755 39.112 38.460 -0.173 0.000 1.210 464 Y HN -0.591 7.627 8.280 -0.104 0.000 0.483 465 D N 2.594 123.006 120.400 0.019 0.000 2.530 465 D HA 0.104 nan 4.640 nan 0.000 0.282 465 D C -0.184 176.121 176.300 0.008 0.000 1.204 465 D CA -1.528 52.461 54.000 -0.018 0.000 1.093 465 D CB 1.835 42.613 40.800 -0.038 0.000 1.154 465 D HN -0.348 8.043 8.370 0.035 0.000 0.593 466 E N -1.851 118.342 120.200 -0.012 0.000 2.479 466 E HA 0.056 nan 4.350 nan 0.000 0.193 466 E C -0.089 176.509 176.600 -0.003 0.000 1.049 466 E CA 0.798 57.191 56.400 -0.012 0.000 0.870 466 E CB 0.283 29.971 29.700 -0.020 0.000 0.944 466 E HN 0.319 8.665 8.360 -0.023 0.000 0.492 467 L N -1.083 120.142 121.223 0.003 0.000 2.471 467 L HA 0.213 nan 4.340 nan 0.000 0.186 467 L C 0.665 177.550 176.870 0.024 0.000 1.191 467 L CA 1.342 56.185 54.840 0.006 0.000 0.835 467 L CB -0.380 41.678 42.059 -0.002 0.000 1.092 467 L HN -0.145 8.016 8.230 0.002 0.071 0.495 468 N N -3.666 115.056 118.700 0.037 0.000 3.449 468 N HA -0.005 nan 4.740 nan 0.000 0.312 468 N C -1.865 173.688 175.510 0.071 0.000 1.582 468 N CA -0.647 52.453 53.050 0.084 0.000 0.850 468 N CB 1.535 40.056 38.487 0.056 0.000 1.822 468 N HN -0.557 7.835 8.380 0.019 0.000 0.577 469 N N 0.003 118.729 118.700 0.043 0.000 2.423 469 N HA -0.176 nan 4.740 nan 0.000 0.275 469 N C -1.287 174.106 175.510 -0.195 0.000 1.283 469 N CA 1.292 54.191 53.050 -0.250 0.000 0.932 469 N CB 0.072 38.372 38.487 -0.311 0.000 1.185 469 N HN 0.250 8.700 8.380 0.116 0.000 0.483 470 K N 4.557 124.844 120.400 -0.188 0.000 2.740 470 K HA 0.228 nan 4.320 nan 0.000 0.246 470 K C -1.174 175.354 176.600 -0.120 0.000 1.021 470 K CA -1.122 55.092 56.287 -0.122 0.000 1.021 470 K CB 1.241 33.698 32.500 -0.072 0.000 1.233 470 K HN -0.275 7.843 8.250 -0.220 0.000 0.497 471 L N 6.273 127.431 121.223 -0.109 0.000 2.416 471 L HA 0.030 nan 4.340 nan 0.000 0.243 471 L C -0.984 175.863 176.870 -0.038 0.000 1.373 471 L CA -0.608 54.182 54.840 -0.083 0.000 1.227 471 L CB -1.271 40.756 42.059 -0.054 0.000 1.428 471 L HN 0.687 8.856 8.230 -0.101 0.000 0.425 472 E N 2.193 122.362 120.200 -0.052 0.000 2.044 472 E HA 0.205 nan 4.350 nan 0.000 0.282 472 E C -1.397 175.191 176.600 -0.019 0.000 1.031 472 E CA -2.524 53.861 56.400 -0.025 0.000 0.824 472 E CB 0.023 29.705 29.700 -0.030 0.000 1.076 472 E HN -0.158 8.112 8.360 -0.080 0.043 0.395 473 P HA -0.256 nan 4.420 nan 0.000 0.219 473 P C 0.710 178.026 177.300 0.027 0.000 1.146 473 P CA 2.527 65.651 63.100 0.040 0.000 0.808 473 P CB 0.173 31.880 31.700 0.011 0.000 0.779 474 D N -1.629 118.775 120.400 0.006 0.000 2.097 474 D HA -0.258 nan 4.640 nan 0.000 0.195 474 D C 2.553 178.853 176.300 0.000 0.000 0.989 474 D CA 3.095 57.099 54.000 0.006 0.000 0.827 474 D CB -0.378 40.424 40.800 0.004 0.000 0.966 474 D HN 0.308 8.657 8.370 0.005 0.024 0.456 475 E N -0.531 119.652 120.200 -0.029 0.000 2.106 475 E HA -0.305 nan 4.350 nan 0.000 0.192 475 E C 2.639 179.172 176.600 -0.111 0.000 0.984 475 E CA 2.596 58.960 56.400 -0.059 0.000 0.806 475 E CB -0.107 29.548 29.700 -0.075 0.000 0.750 475 E HN -0.485 7.857 8.360 -0.030 0.000 0.458 476 Q N -1.667 118.046 119.800 -0.145 0.000 2.234 476 Q HA -0.312 nan 4.340 nan 0.000 0.206 476 Q C 2.067 177.858 176.000 -0.347 0.000 0.980 476 Q CA 2.804 58.364 55.803 -0.405 0.000 0.869 476 Q CB -0.361 28.134 28.738 -0.404 0.000 0.912 476 Q HN -0.223 7.880 8.270 -0.079 0.120 0.436 477 R N -1.719 118.817 120.500 0.060 0.000 2.091 477 R HA -0.293 nan 4.340 nan 0.000 0.238 477 R C 1.955 178.285 176.300 0.052 0.000 1.136 477 R CA 2.692 58.904 56.100 0.188 0.000 0.959 477 R CB -0.548 29.840 30.300 0.147 0.000 0.856 477 R HN -0.671 7.501 8.270 0.063 0.136 0.437 478 R N -3.150 117.331 120.500 -0.032 0.000 2.075 478 R HA -0.114 nan 4.340 nan 0.000 0.232 478 R C 2.003 178.240 176.300 -0.104 0.000 1.126 478 R CA 1.484 57.559 56.100 -0.043 0.000 0.963 478 R CB -0.190 30.087 30.300 -0.039 0.000 0.858 478 R HN -0.531 7.717 8.270 -0.037 0.000 0.435 479 L N -1.723 119.372 121.223 -0.214 0.000 2.156 479 L HA -0.186 nan 4.340 nan 0.000 0.208 479 L C 0.615 177.318 176.870 -0.278 0.000 1.095 479 L CA 1.538 56.216 54.840 -0.271 0.000 0.770 479 L CB 0.093 41.906 42.059 -0.411 0.000 0.914 479 L HN -0.741 7.194 8.230 -0.266 0.135 0.439 480 F N -2.573 117.207 119.950 -0.284 0.000 2.608 480 F HA -0.198 nan 4.527 nan 0.000 0.380 480 F C 0.250 176.008 175.800 -0.070 0.000 1.083 480 F CA 1.717 59.523 58.000 -0.323 0.000 1.266 480 F CB 0.154 38.587 39.000 -0.945 0.000 1.076 480 F HN -0.627 7.408 8.300 -0.441 0.000 0.574 481 I N -1.448 119.286 120.570 0.274 0.000 2.530 481 I HA 0.484 nan 4.170 nan 0.000 0.297 481 I C -1.736 174.575 176.117 0.323 0.000 1.011 481 I CA -2.247 59.189 61.300 0.226 0.000 1.107 481 I CB 3.438 41.481 38.000 0.072 0.000 1.285 481 I HN 0.667 9.044 8.210 0.279 0.000 0.436 482 E N 4.762 125.082 120.200 0.199 0.000 2.152 482 E HA 0.135 nan 4.350 nan 0.000 0.285 482 E C -0.245 176.245 176.600 -0.183 0.000 1.043 482 E CA -1.066 55.160 56.400 -0.290 0.000 0.839 482 E CB 1.247 30.880 29.700 -0.112 0.000 1.069 482 E HN -0.209 8.548 8.360 0.258 -0.242 0.399 483 L N 5.935 127.017 121.223 -0.235 0.000 2.095 483 L HA -0.035 nan 4.340 nan 0.000 0.204 483 L C -0.455 176.381 176.870 -0.058 0.000 1.080 483 L CA 1.864 56.670 54.840 -0.057 0.000 0.759 483 L CB 0.441 42.522 42.059 0.037 0.000 0.914 483 L HN 0.452 8.444 8.230 -0.397 0.000 0.439 484 D N -5.459 114.858 120.400 -0.139 0.000 2.720 484 D HA 0.142 nan 4.640 nan 0.000 0.239 484 D C -2.793 173.504 176.300 -0.004 0.000 1.218 484 D CA -0.095 53.905 54.000 -0.001 0.000 0.748 484 D CB 3.286 44.183 40.800 0.162 0.000 1.387 484 D HN -0.636 7.556 8.370 -0.297 0.000 0.438 485 K N 2.269 122.728 120.400 0.099 0.000 2.535 485 K HA 0.762 nan 4.320 nan 0.000 0.250 485 K C -1.916 174.802 176.600 0.198 0.000 0.948 485 K CA -0.577 55.741 56.287 0.052 0.000 0.796 485 K CB 2.988 35.509 32.500 0.035 0.000 1.216 485 K HN -0.259 8.078 8.250 0.145 0.000 0.432 486 F N 1.304 121.280 119.950 0.043 0.000 2.713 486 F HA 0.318 nan 4.527 nan 0.000 0.311 486 F C -3.118 172.759 175.800 0.129 0.000 1.141 486 F CA -1.932 56.117 58.000 0.082 0.000 0.939 486 F CB 1.964 41.002 39.000 0.062 0.000 1.325 486 F HN 0.177 8.183 8.300 -0.491 0.000 0.453 487 F N 0.159 120.222 119.950 0.189 0.000 2.421 487 F HA 0.689 nan 4.527 nan 0.000 0.337 487 F C -2.197 173.723 175.800 0.200 0.000 1.105 487 F CA -1.124 56.898 58.000 0.036 0.000 1.049 487 F CB 2.143 41.038 39.000 -0.175 0.000 1.139 487 F HN -0.199 8.419 8.300 0.530 0.000 0.479 488 Y N 7.539 127.087 120.300 -1.254 0.000 2.562 488 Y HA 0.225 nan 4.550 nan 0.000 0.345 488 Y C -2.469 172.779 175.900 -1.087 0.000 1.045 488 Y CA -0.741 56.884 58.100 -0.791 0.000 1.028 488 Y CB 4.785 43.096 38.460 -0.249 0.000 1.297 488 Y HN 0.719 8.243 8.280 -1.259 0.000 0.463 489 T N 5.386 119.346 114.554 -0.989 0.000 2.823 489 T HA 0.640 nan 4.350 nan 0.000 0.279 489 T C -1.465 173.066 174.700 -0.282 0.000 0.998 489 T CA -0.617 61.158 62.100 -0.542 0.000 0.994 489 T CB 0.942 69.612 68.868 -0.330 0.000 0.960 489 T HN -0.003 7.259 8.240 -1.629 0.000 0.448 490 L N 6.321 127.455 121.223 -0.148 0.000 2.346 490 L HA 0.446 nan 4.340 nan 0.000 0.276 490 L C -0.534 176.310 176.870 -0.043 0.000 1.006 490 L CA -1.421 53.416 54.840 -0.005 0.000 0.817 490 L CB 2.446 44.524 42.059 0.031 0.000 1.272 490 L HN 1.024 9.000 8.230 -0.229 0.117 0.421 491 T N 0.023 114.573 114.554 -0.006 0.000 2.862 491 T HA 0.492 nan 4.350 nan 0.000 0.276 491 T C -2.155 172.548 174.700 0.004 0.000 0.974 491 T CA -3.142 58.950 62.100 -0.013 0.000 0.966 491 T CB -0.482 68.384 68.868 -0.003 0.000 1.072 491 T HN -0.247 8.171 8.240 0.027 -0.162 0.538 492 P HA -0.014 nan 4.420 nan 0.000 0.274 492 P C -0.896 176.411 177.300 0.011 0.000 1.231 492 P CA -0.018 63.087 63.100 0.009 0.000 0.790 492 P CB 0.268 31.971 31.700 0.005 0.000 0.951 493 G N 2.052 110.858 108.800 0.011 0.000 2.627 493 G HA2 -0.364 nan 3.960 nan 0.000 0.214 493 G HA3 -0.364 nan 3.960 nan 0.000 0.214 493 G C -1.748 173.161 174.900 0.014 0.000 1.331 493 G CA -0.582 44.525 45.100 0.011 0.000 0.891 493 G HN 0.046 8.343 8.290 0.012 0.000 0.539 494 K N 1.088 121.495 120.400 0.012 0.000 2.237 494 K HA 0.273 nan 4.320 nan 0.000 0.270 494 K C -0.717 175.893 176.600 0.017 0.000 1.015 494 K CA 0.510 56.804 56.287 0.012 0.000 0.949 494 K CB 0.826 33.331 32.500 0.008 0.000 0.976 494 K HN 0.103 8.360 8.250 0.011 0.000 0.472 495 N N 2.320 121.029 118.700 0.015 0.000 2.242 495 N HA 0.313 nan 4.740 nan 0.000 0.292 495 N C -2.231 173.274 175.510 -0.007 0.000 1.125 495 N CA -0.680 52.383 53.050 0.022 0.000 0.783 495 N CB 5.093 43.609 38.487 0.050 0.000 1.558 495 N HN 0.313 8.697 8.380 0.007 0.000 0.472 496 T N -2.327 112.218 114.554 -0.016 0.000 2.840 496 T HA 0.582 nan 4.350 nan 0.000 0.287 496 T C -0.879 173.750 174.700 -0.118 0.000 0.991 496 T CA -1.436 60.636 62.100 -0.048 0.000 0.964 496 T CB 1.143 69.999 68.868 -0.020 0.000 0.954 496 T HN 0.126 8.373 8.240 0.011 0.000 0.438 497 I N 6.813 127.260 120.570 -0.204 0.000 2.378 497 I HA 0.338 nan 4.170 nan 0.000 0.291 497 I C -1.400 174.611 176.117 -0.176 0.000 0.992 497 I CA -0.851 60.210 61.300 -0.398 0.000 1.154 497 I CB 2.510 40.144 38.000 -0.611 0.000 1.315 497 I HN 0.773 8.786 8.210 -0.145 0.110 0.448 498 V N 7.400 127.230 119.914 -0.139 0.000 2.555 498 V HA 0.554 nan 4.120 nan 0.000 0.302 498 V C -1.247 174.793 176.094 -0.090 0.000 1.038 498 V CA -1.524 60.745 62.300 -0.053 0.000 0.887 498 V CB 1.818 33.622 31.823 -0.031 0.000 0.991 498 V HN 0.282 8.371 8.190 -0.167 0.000 0.434 499 R N 7.730 128.204 120.500 -0.043 0.000 2.725 499 R HA 0.474 nan 4.340 nan 0.000 0.277 499 R C -2.293 173.970 176.300 -0.062 0.000 0.987 499 R CA -2.566 53.445 56.100 -0.149 0.000 0.901 499 R CB 4.149 34.236 30.300 -0.355 0.000 1.207 499 R HN 0.221 8.529 8.270 0.063 0.000 0.463 500 N N 3.490 122.097 118.700 -0.154 0.000 2.466 500 N HA 0.358 nan 4.740 nan 0.000 0.294 500 N C 1.135 176.486 175.510 -0.265 0.000 1.129 500 N CA -1.412 51.512 53.050 -0.210 0.000 0.931 500 N CB 1.476 39.815 38.487 -0.247 0.000 1.193 500 N HN 0.354 8.613 8.380 -0.201 0.000 0.500 501 H N 0.522 119.318 119.070 -0.457 0.000 2.421 501 H HA -0.310 nan 4.556 nan 0.000 0.298 501 H C 2.130 177.314 175.328 -0.241 0.000 1.087 501 H CA 3.720 59.458 56.048 -0.517 0.000 1.330 501 H CB -0.044 28.951 29.762 -1.277 0.000 1.388 501 H HN 0.580 8.594 8.280 -0.443 0.000 0.526 502 Q N -1.160 117.940 119.800 -1.167 0.000 2.135 502 Q HA -0.335 nan 4.340 nan 0.000 0.204 502 Q C 0.795 176.596 176.000 -0.331 0.000 0.981 502 Q CA 2.609 57.943 55.803 -0.782 0.000 0.856 502 Q CB -0.837 27.531 28.738 -0.618 0.000 0.902 502 Q HN 0.341 7.857 8.270 -1.200 0.033 0.425 503 D N -2.565 117.672 120.400 -0.271 0.000 2.310 503 D HA -0.012 nan 4.640 nan 0.000 0.212 503 D C 0.482 176.721 176.300 -0.103 0.000 0.965 503 D CA 0.543 54.439 54.000 -0.172 0.000 0.879 503 D CB 0.163 40.848 40.800 -0.193 0.000 0.921 503 D HN -0.604 7.646 8.370 -0.321 -0.073 0.510 504 S N 0.711 116.373 115.700 -0.062 0.000 2.715 504 S HA -0.351 nan 4.470 nan 0.000 0.318 504 S C 0.807 175.399 174.600 -0.013 0.000 1.242 504 S CA 0.611 58.816 58.200 0.008 0.000 1.044 504 S CB 0.343 63.584 63.200 0.069 0.000 0.760 504 S HN -0.473 7.589 8.310 -0.094 0.192 0.501 505 S N 8.697 124.391 115.700 -0.010 0.000 2.453 505 S HA -0.171 nan 4.470 nan 0.000 0.231 505 S C 1.624 176.162 174.600 -0.103 0.000 1.005 505 S CA 3.247 61.430 58.200 -0.030 0.000 0.949 505 S CB 0.108 63.307 63.200 -0.002 0.000 0.774 505 S HN 0.138 8.752 8.310 0.022 -0.290 0.510 506 V N -6.268 113.530 119.914 -0.193 0.000 2.719 506 V HA 0.046 nan 4.120 nan 0.000 0.252 506 V C -0.525 175.486 176.094 -0.139 0.000 1.065 506 V CA 1.431 63.465 62.300 -0.443 0.000 1.086 506 V CB -0.836 30.615 31.823 -0.619 0.000 0.700 506 V HN -0.630 7.448 8.190 -0.135 0.031 0.467 507 T N -3.842 110.713 114.554 0.001 0.000 2.945 507 T HA 0.536 nan 4.350 nan 0.000 0.286 507 T C -1.404 173.330 174.700 0.056 0.000 1.025 507 T CA -2.697 59.459 62.100 0.092 0.000 1.039 507 T CB 2.423 71.359 68.868 0.113 0.000 1.068 507 T HN -0.710 7.480 8.240 -0.017 0.040 0.497 508 I N 2.285 122.894 120.570 0.064 0.000 2.416 508 I HA 0.065 nan 4.170 nan 0.000 0.288 508 I C -0.007 176.099 176.117 -0.019 0.000 1.051 508 I CA -2.032 59.278 61.300 0.018 0.000 1.375 508 I CB 1.745 39.761 38.000 0.026 0.000 1.407 508 I HN 0.125 8.386 8.210 0.085 0.000 0.516 509 S N 9.410 125.075 115.700 -0.058 0.000 2.383 509 S HA -0.227 nan 4.470 nan 0.000 0.227 509 S C -0.141 174.416 174.600 -0.073 0.000 1.026 509 S CA 2.358 60.517 58.200 -0.070 0.000 0.981 509 S CB 0.466 63.610 63.200 -0.093 0.000 0.818 509 S HN 0.426 8.949 8.310 -0.071 -0.255 0.472 510 K N -1.350 118.984 120.400 -0.109 0.000 2.589 510 K HA -0.007 nan 4.320 nan 0.000 0.265 510 K C -2.310 174.208 176.600 -0.137 0.000 0.935 510 K CA -0.059 56.169 56.287 -0.098 0.000 0.850 510 K CB 2.161 34.603 32.500 -0.097 0.000 1.372 510 K HN -0.805 7.357 8.250 -0.147 0.000 0.420 511 V N 2.082 121.952 119.914 -0.072 0.000 2.417 511 V HA 0.181 nan 4.120 nan 0.000 0.291 511 V C -0.793 175.300 176.094 -0.001 0.000 1.024 511 V CA -1.828 60.440 62.300 -0.055 0.000 0.861 511 V CB 1.504 33.316 31.823 -0.018 0.000 0.985 511 V HN 0.104 8.270 8.190 -0.041 0.000 0.436 512 R N 6.841 127.386 120.500 0.075 0.000 2.390 512 R HA 0.170 nan 4.340 nan 0.000 0.291 512 R C -0.112 176.219 176.300 0.051 0.000 1.070 512 R CA -0.797 55.362 56.100 0.100 0.000 1.014 512 R CB 0.234 30.663 30.300 0.214 0.000 1.007 512 R HN 0.047 8.401 8.270 0.140 0.000 0.466 513 T N 1.905 116.479 114.554 0.034 0.000 2.868 513 T HA 0.205 nan 4.350 nan 0.000 0.292 513 T C 0.971 175.693 174.700 0.037 0.000 1.028 513 T CA -0.763 61.354 62.100 0.029 0.000 1.059 513 T CB 1.649 70.541 68.868 0.039 0.000 0.991 513 T HN 0.045 8.306 8.240 0.036 0.000 0.531 514 F N 5.581 125.395 119.950 -0.225 0.000 2.192 514 F HA -0.380 nan 4.527 nan 0.000 0.301 514 F C 1.266 176.941 175.800 -0.210 0.000 1.079 514 F CA 3.461 61.251 58.000 -0.350 0.000 1.303 514 F CB 0.205 38.679 39.000 -0.875 0.000 1.024 514 F HN 0.365 9.016 8.300 0.056 -0.318 0.494 515 D N -1.988 118.507 120.400 0.159 0.000 2.092 515 D HA -0.341 nan 4.640 nan 0.000 0.193 515 D C 2.495 178.844 176.300 0.083 0.000 0.994 515 D CA 3.472 57.556 54.000 0.140 0.000 0.828 515 D CB -0.755 40.113 40.800 0.114 0.000 0.963 515 D HN -0.432 8.019 8.370 0.122 -0.008 0.450 516 Q N -0.800 119.032 119.800 0.053 0.000 2.030 516 Q HA -0.293 nan 4.340 nan 0.000 0.204 516 Q C 2.969 178.975 176.000 0.011 0.000 0.986 516 Q CA 2.790 58.612 55.803 0.031 0.000 0.843 516 Q CB 0.111 28.869 28.738 0.033 0.000 0.904 516 Q HN -0.585 7.627 8.270 0.055 0.090 0.420 517 L N -1.337 119.877 121.223 -0.015 0.000 2.129 517 L HA -0.317 nan 4.340 nan 0.000 0.212 517 L C 2.182 179.020 176.870 -0.054 0.000 1.087 517 L CA 2.244 57.034 54.840 -0.083 0.000 0.757 517 L CB -0.778 41.167 42.059 -0.190 0.000 0.896 517 L HN 0.276 8.503 8.230 -0.005 0.000 0.434 518 G N -2.086 106.730 108.800 0.026 0.000 2.450 518 G HA2 -0.309 nan 3.960 nan 0.000 0.220 518 G HA3 -0.309 nan 3.960 nan 0.000 0.220 518 G C -0.205 174.711 174.900 0.028 0.000 1.130 518 G CA 0.976 46.114 45.100 0.064 0.000 0.760 518 G HN -0.064 8.055 8.290 0.066 0.211 0.557 519 A N 1.147 123.975 122.820 0.013 0.000 2.109 519 A HA 0.273 nan 4.320 nan 0.000 0.220 519 A C -0.475 177.098 177.584 -0.017 0.000 1.613 519 A CA 0.333 52.371 52.037 0.002 0.000 0.620 519 A CB 1.174 20.177 19.000 0.005 0.000 1.212 519 A HN -0.211 7.820 8.150 0.017 0.130 0.508 520 G N -1.776 107.010 108.800 -0.024 0.000 2.141 520 G HA2 -0.107 nan 3.960 nan 0.000 0.177 520 G HA3 -0.107 nan 3.960 nan 0.000 0.177 520 G C -2.094 172.790 174.900 -0.027 0.000 1.510 520 G CA -0.502 44.574 45.100 -0.039 0.000 1.082 520 G HN -0.142 8.139 8.290 -0.015 0.000 0.622 521 E N 3.956 124.141 120.200 -0.024 0.000 2.402 521 E HA 0.181 nan 4.350 nan 0.000 0.244 521 E C -0.294 176.314 176.600 0.013 0.000 0.945 521 E CA -0.807 55.595 56.400 0.004 0.000 0.774 521 E CB 1.296 31.016 29.700 0.033 0.000 1.296 521 E HN 0.139 8.472 8.360 -0.045 0.000 0.414 522 G N 2.744 111.543 108.800 -0.003 0.000 2.661 522 G HA2 -0.162 nan 3.960 nan 0.000 0.292 522 G HA3 -0.162 nan 3.960 nan 0.000 0.292 522 G C -0.743 174.178 174.900 0.036 0.000 0.781 522 G CA 0.436 45.539 45.100 0.006 0.000 1.860 522 G HN 0.563 8.845 8.290 -0.014 0.000 0.512 523 V N 4.357 124.327 119.914 0.093 0.000 2.231 523 V HA -0.164 nan 4.120 nan 0.000 0.240 523 V C 0.636 176.761 176.094 0.052 0.000 1.039 523 V CA 2.181 64.524 62.300 0.072 0.000 0.998 523 V CB 0.400 32.273 31.823 0.083 0.000 0.639 523 V HN 0.176 8.426 8.190 0.149 0.030 0.451 524 S N -1.283 114.475 115.700 0.097 0.000 2.776 524 S HA 0.173 nan 4.470 nan 0.000 0.306 524 S C -2.159 172.484 174.600 0.071 0.000 1.114 524 S CA -0.858 57.379 58.200 0.061 0.000 0.973 524 S CB 2.583 65.809 63.200 0.044 0.000 1.250 524 S HN 0.023 8.430 8.310 0.161 0.000 0.549 525 E N 0.433 120.631 120.200 -0.004 0.000 2.546 525 E HA 0.195 nan 4.350 nan 0.000 0.227 525 E C -1.072 175.487 176.600 -0.067 0.000 1.009 525 E CA -1.321 55.035 56.400 -0.073 0.000 0.813 525 E CB -0.389 29.234 29.700 -0.128 0.000 1.269 525 E HN 0.084 8.432 8.360 -0.019 0.000 0.432 526 D N 3.595 123.985 120.400 -0.017 0.000 2.463 526 D HA 0.205 nan 4.640 nan 0.000 0.247 526 D C -0.430 175.829 176.300 -0.069 0.000 1.240 526 D CA 0.039 54.017 54.000 -0.037 0.000 1.151 526 D CB 2.209 43.003 40.800 -0.009 0.000 1.180 526 D HN 0.126 8.534 8.370 0.065 0.000 0.532 527 S N -0.776 114.900 115.700 -0.040 0.000 4.019 527 S HA 0.312 nan 4.470 nan 0.000 0.199 527 S C 1.396 175.973 174.600 -0.038 0.000 1.177 527 S CA 0.910 59.066 58.200 -0.073 0.000 1.478 527 S CB 1.700 64.847 63.200 -0.088 0.000 1.580 527 S HN 0.182 8.484 8.310 -0.014 0.000 0.766 528 T N 3.454 117.978 114.554 -0.051 0.000 3.072 528 T HA -0.111 nan 4.350 nan 0.000 0.266 528 T C 1.396 176.068 174.700 -0.046 0.000 1.127 528 T CA 3.717 65.806 62.100 -0.017 0.000 1.107 528 T CB -0.456 68.432 68.868 0.033 0.000 0.910 528 T HN 0.544 8.739 8.240 -0.075 0.000 0.513 529 E N 1.540 121.708 120.200 -0.053 0.000 2.268 529 E HA -0.312 nan 4.350 nan 0.000 0.195 529 E C 1.736 178.305 176.600 -0.053 0.000 0.995 529 E CA 2.375 58.747 56.400 -0.047 0.000 0.836 529 E CB -0.928 28.751 29.700 -0.035 0.000 0.763 529 E HN -0.117 8.158 8.360 -0.059 0.050 0.491 530 Y N 0.614 120.823 120.300 -0.152 0.000 2.053 530 Y HA -0.411 nan 4.550 nan 0.000 0.277 530 Y C -0.373 175.460 175.900 -0.111 0.000 1.159 530 Y CA 4.097 62.126 58.100 -0.119 0.000 1.125 530 Y CB 0.305 38.692 38.460 -0.122 0.000 0.969 530 Y HN -0.155 7.971 8.280 0.062 0.190 0.492 531 C N -7.093 112.116 119.300 -0.152 0.000 3.730 531 C HA 0.240 nan 4.460 nan 0.000 0.397 531 C C 0.475 175.369 174.990 -0.161 0.000 1.468 531 C CA -2.160 56.678 59.018 -0.300 0.000 1.931 531 C CB 0.479 28.118 27.740 -0.168 0.000 2.773 531 C HN 0.050 8.298 8.230 0.031 0.000 0.692 532 S N 2.776 118.330 115.700 -0.244 0.000 2.361 532 S HA -0.222 nan 4.470 nan 0.000 0.214 532 S C 0.481 174.970 174.600 -0.184 0.000 1.034 532 S CA 2.642 60.519 58.200 -0.539 0.000 1.025 532 S CB 0.132 62.477 63.200 -1.426 0.000 0.996 532 S HN -0.270 7.898 8.310 -0.237 0.000 0.422 533 C N -0.562 118.653 119.300 -0.142 0.000 2.876 533 C HA -0.107 nan 4.460 nan 0.000 0.276 533 C C 0.132 175.355 174.990 0.389 0.000 1.582 533 C CA 1.525 60.695 59.018 0.254 0.000 2.061 533 C CB 0.467 28.321 27.740 0.190 0.000 2.044 533 C HN -0.337 7.641 8.230 -0.236 0.111 0.647 534 G N -0.584 108.564 108.800 0.579 0.000 2.728 534 G HA2 -0.334 nan 3.960 nan 0.000 0.686 534 G HA3 -0.334 nan 3.960 nan 0.000 0.686 534 G C -1.418 173.689 174.900 0.345 0.000 1.337 534 G CA -0.546 44.803 45.100 0.415 0.000 0.861 534 G HN 0.129 8.822 8.290 0.672 0.000 0.597 535 W N 2.037 123.317 121.300 -0.034 0.000 2.190 535 W HA 0.033 nan 4.660 nan 0.000 0.330 535 W C -1.320 175.155 176.519 -0.072 0.000 1.299 535 W CA -1.771 55.481 57.345 -0.155 0.000 1.215 535 W CB 1.181 30.686 29.460 0.075 0.000 1.147 535 W HN 0.641 8.974 8.180 0.414 0.095 0.563 536 P HA -0.175 nan 4.420 nan 0.000 0.266 536 P C -1.006 176.138 177.300 -0.260 0.000 1.195 536 P CA 0.346 63.242 63.100 -0.339 0.000 0.768 536 P CB 0.381 31.732 31.700 -0.581 0.000 0.838 537 E N 4.009 124.147 120.200 -0.104 0.000 2.077 537 E HA -0.396 nan 4.350 nan 0.000 0.193 537 E C 2.048 178.684 176.600 0.059 0.000 0.989 537 E CA 3.455 59.883 56.400 0.047 0.000 0.800 537 E CB 0.050 29.796 29.700 0.076 0.000 0.746 537 E HN 0.718 9.038 8.360 -0.066 0.000 0.452 538 H N -3.321 115.775 119.070 0.044 0.000 2.421 538 H HA -0.167 nan 4.556 nan 0.000 0.298 538 H C 1.801 177.280 175.328 0.252 0.000 1.087 538 H CA 2.417 58.511 56.048 0.078 0.000 1.330 538 H CB -0.741 29.060 29.762 0.065 0.000 1.388 538 H HN 0.225 8.459 8.280 -0.077 0.000 0.526 539 M N -1.999 117.519 119.600 -0.138 0.000 2.630 539 M HA -0.093 nan 4.480 nan 0.000 0.254 539 M C 1.707 178.217 176.300 0.350 0.000 1.092 539 M CA -0.375 54.982 55.300 0.096 0.000 1.087 539 M CB -1.534 30.967 32.600 -0.166 0.000 1.453 539 M HN -0.699 7.175 8.290 -0.615 0.047 0.509 540 L N -0.031 121.419 121.223 0.379 0.000 2.043 540 L HA -0.276 nan 4.340 nan 0.000 0.212 540 L C -0.455 176.538 176.870 0.205 0.000 1.075 540 L CA 2.942 57.993 54.840 0.351 0.000 0.752 540 L CB 0.231 42.532 42.059 0.403 0.000 0.891 540 L HN -0.511 7.773 8.230 0.384 0.176 0.432 541 I N -4.628 116.004 120.570 0.104 0.000 2.797 541 I HA 0.200 nan 4.170 nan 0.000 0.307 541 I C -1.989 174.150 176.117 0.036 0.000 1.033 541 I CA -3.558 57.718 61.300 -0.040 0.000 1.071 541 I CB 0.834 38.688 38.000 -0.242 0.000 1.255 541 I HN -0.520 7.795 8.210 0.189 0.008 0.445 542 P HA 0.073 nan 4.420 nan 0.000 0.272 542 P C -1.425 175.892 177.300 0.029 0.000 1.240 542 P CA -0.623 62.476 63.100 -0.003 0.000 0.791 542 P CB 0.640 32.274 31.700 -0.110 0.000 0.978 543 R N 0.288 120.847 120.500 0.098 0.000 2.081 543 R HA -0.290 nan 4.340 nan 0.000 0.235 543 R C 0.692 177.051 176.300 0.098 0.000 1.131 543 R CA 1.123 57.249 56.100 0.043 0.000 0.960 543 R CB 0.582 30.752 30.300 -0.216 0.000 0.856 543 R HN -0.110 8.495 8.270 0.164 -0.236 0.436 544 G N -2.128 106.752 108.800 0.132 0.000 2.593 544 G HA2 -0.357 nan 3.960 nan 0.000 0.237 544 G HA3 -0.357 nan 3.960 nan 0.000 0.237 544 G C -1.008 173.986 174.900 0.156 0.000 1.312 544 G CA -0.323 44.913 45.100 0.225 0.000 0.896 544 G HN -0.666 7.707 8.290 0.140 0.000 0.574 545 S N -0.557 115.245 115.700 0.169 0.000 2.685 545 S HA 0.306 nan 4.470 nan 0.000 0.282 545 S C 0.207 174.925 174.600 0.197 0.000 1.159 545 S CA -1.580 56.712 58.200 0.153 0.000 0.833 545 S CB 2.846 66.098 63.200 0.087 0.000 1.151 545 S HN -0.400 8.020 8.310 0.183 0.000 0.485 546 H N 4.135 123.286 119.070 0.135 0.000 2.421 546 H HA -0.224 nan 4.556 nan 0.000 0.298 546 H C -0.558 174.811 175.328 0.068 0.000 1.087 546 H CA 3.200 59.318 56.048 0.116 0.000 1.330 546 H CB 0.336 30.147 29.762 0.082 0.000 1.388 546 H HN 0.703 9.156 8.280 0.287 0.000 0.526 547 K N -5.590 114.893 120.400 0.139 0.000 2.211 547 K HA -0.183 nan 4.320 nan 0.000 0.203 547 K C 0.162 176.773 176.600 0.018 0.000 1.050 547 K CA 0.301 56.627 56.287 0.065 0.000 0.945 547 K CB -0.143 32.374 32.500 0.029 0.000 0.732 547 K HN -0.222 8.119 8.250 0.171 0.012 0.451 548 G N 0.838 109.659 108.800 0.034 0.000 2.894 548 G HA2 -0.325 nan 3.960 nan 0.000 0.263 548 G HA3 -0.325 nan 3.960 nan 0.000 0.263 548 G C -1.388 173.550 174.900 0.063 0.000 1.013 548 G CA -0.533 44.596 45.100 0.048 0.000 1.226 548 G HN -0.424 7.720 8.290 0.061 0.183 0.563 549 M N 2.117 121.784 119.600 0.112 0.000 2.243 549 M HA -0.045 nan 4.480 nan 0.000 0.341 549 M C -1.496 174.877 176.300 0.121 0.000 1.130 549 M CA 0.535 55.875 55.300 0.066 0.000 1.162 549 M CB 2.198 34.857 32.600 0.098 0.000 1.497 549 M HN 0.082 8.471 8.290 0.165 0.000 0.456 550 E N 3.243 123.459 120.200 0.028 0.000 2.227 550 E HA 0.545 nan 4.350 nan 0.000 0.282 550 E C -0.932 175.550 176.600 -0.197 0.000 1.015 550 E CA -0.180 56.269 56.400 0.081 0.000 0.823 550 E CB 1.319 31.134 29.700 0.192 0.000 1.081 550 E HN 0.225 8.596 8.360 0.017 0.000 0.396 551 F N 3.100 123.086 119.950 0.060 0.000 2.576 551 F HA 0.540 nan 4.527 nan 0.000 0.313 551 F C -1.594 174.231 175.800 0.042 0.000 1.078 551 F CA -1.376 56.644 58.000 0.032 0.000 0.921 551 F CB 4.356 43.369 39.000 0.021 0.000 1.232 551 F HN 0.594 9.075 8.300 0.300 0.000 0.459 552 E N 1.523 121.853 120.200 0.217 0.000 2.313 552 E HA 0.433 nan 4.350 nan 0.000 0.276 552 E C -1.837 174.934 176.600 0.286 0.000 1.031 552 E CA -0.836 55.693 56.400 0.214 0.000 0.857 552 E CB 2.404 32.229 29.700 0.208 0.000 1.040 552 E HN 0.818 9.179 8.360 0.156 0.093 0.408 553 L N 6.902 128.278 121.223 0.254 0.000 2.305 553 L HA 0.639 nan 4.340 nan 0.000 0.284 553 L C -2.268 174.776 176.870 0.290 0.000 1.013 553 L CA -0.794 54.191 54.840 0.242 0.000 0.819 553 L CB 2.353 44.507 42.059 0.158 0.000 1.227 553 L HN 0.403 8.659 8.230 0.212 0.101 0.417 554 F N 9.501 129.567 119.950 0.194 0.000 2.482 554 F HA 0.673 nan 4.527 nan 0.000 0.331 554 F C -2.411 173.474 175.800 0.141 0.000 1.115 554 F CA -1.922 56.193 58.000 0.191 0.000 0.955 554 F CB 3.545 42.709 39.000 0.273 0.000 1.136 554 F HN 0.767 9.329 8.300 0.437 0.000 0.452 555 V N 8.457 128.005 119.914 -0.609 0.000 2.588 555 V HA 0.721 nan 4.120 nan 0.000 0.304 555 V C -2.530 173.141 176.094 -0.705 0.000 1.042 555 V CA -1.440 60.595 62.300 -0.441 0.000 0.877 555 V CB 2.951 34.609 31.823 -0.275 0.000 0.996 555 V HN 0.989 8.691 8.190 -0.813 0.000 0.425 556 M N 5.542 124.924 119.600 -0.364 0.000 2.457 556 M HA 0.856 nan 4.480 nan 0.000 0.300 556 M C -2.647 173.578 176.300 -0.125 0.000 1.141 556 M CA -1.288 53.872 55.300 -0.235 0.000 0.901 556 M CB 4.398 37.017 32.600 0.032 0.000 1.687 556 M HN 0.672 8.854 8.290 -0.178 0.000 0.449 557 L N 5.236 126.396 121.223 -0.105 0.000 2.346 557 L HA 0.691 nan 4.340 nan 0.000 0.276 557 L C -1.708 175.099 176.870 -0.105 0.000 1.006 557 L CA -0.750 54.008 54.840 -0.137 0.000 0.817 557 L CB 1.947 43.910 42.059 -0.161 0.000 1.272 557 L HN 0.439 8.614 8.230 -0.091 0.000 0.421 558 T N 2.226 116.679 114.554 -0.168 0.000 2.916 558 T HA 0.343 nan 4.350 nan 0.000 0.292 558 T C -1.924 172.542 174.700 -0.390 0.000 1.064 558 T CA -1.675 60.333 62.100 -0.153 0.000 1.011 558 T CB 3.252 72.106 68.868 -0.023 0.000 1.152 558 T HN -0.005 8.115 8.240 -0.200 0.000 0.510 559 D N 1.168 121.360 120.400 -0.345 0.000 2.358 559 D HA 0.044 nan 4.640 nan 0.000 0.258 559 D C 0.398 176.662 176.300 -0.061 0.000 1.223 559 D CA -0.539 53.264 54.000 -0.327 0.000 0.886 559 D CB 0.554 41.481 40.800 0.212 0.000 1.120 559 D HN 0.379 8.701 8.370 -0.080 0.000 0.482 560 H N 8.660 127.702 119.070 -0.046 0.000 2.389 560 H HA -0.331 nan 4.556 nan 0.000 0.299 560 H C 1.729 177.081 175.328 0.041 0.000 1.081 560 H CA 4.090 60.186 56.048 0.081 0.000 1.345 560 H CB 0.633 30.613 29.762 0.363 0.000 1.393 560 H HN 0.246 8.572 8.280 0.077 0.000 0.520 561 D N -1.477 118.994 120.400 0.119 0.000 2.123 561 D HA -0.284 nan 4.640 nan 0.000 0.196 561 D C 1.902 178.165 176.300 -0.061 0.000 0.992 561 D CA 3.166 57.185 54.000 0.032 0.000 0.833 561 D CB -0.503 40.361 40.800 0.107 0.000 0.954 561 D HN -0.038 8.753 8.370 0.218 -0.290 0.455 562 E N -1.290 118.891 120.200 -0.033 0.000 2.047 562 E HA -0.211 nan 4.350 nan 0.000 0.191 562 E C 0.962 177.481 176.600 -0.134 0.000 0.987 562 E CA 2.116 58.481 56.400 -0.058 0.000 0.799 562 E CB 0.155 29.839 29.700 -0.028 0.000 0.752 562 E HN -0.549 7.819 8.360 0.021 0.004 0.449 563 D N -2.235 118.048 120.400 -0.195 0.000 2.144 563 D HA -0.140 nan 4.640 nan 0.000 0.199 563 D C 0.675 176.802 176.300 -0.288 0.000 0.984 563 D CA 2.043 55.904 54.000 -0.232 0.000 0.834 563 D CB 0.684 41.350 40.800 -0.223 0.000 0.955 563 D HN -0.329 7.877 8.370 -0.167 0.064 0.465 564 T N -5.467 108.811 114.554 -0.460 0.000 2.768 564 T HA 0.367 nan 4.350 nan 0.000 0.268 564 T C -0.568 173.997 174.700 -0.224 0.000 0.969 564 T CA -1.587 60.302 62.100 -0.352 0.000 1.008 564 T CB 2.602 71.212 68.868 -0.430 0.000 1.371 564 T HN -0.182 7.706 8.240 -0.587 0.000 0.587 565 V N 0.392 120.213 119.914 -0.155 0.000 2.713 565 V HA 0.244 nan 4.120 nan 0.000 0.307 565 V C -0.213 175.822 176.094 -0.098 0.000 1.052 565 V CA -1.584 60.655 62.300 -0.101 0.000 0.967 565 V CB 1.936 33.718 31.823 -0.069 0.000 1.019 565 V HN 0.458 8.561 8.190 -0.146 0.000 0.459 566 A N 2.777 125.551 122.820 -0.077 0.000 2.537 566 A HA 0.003 nan 4.320 nan 0.000 0.260 566 A C -0.100 177.437 177.584 -0.079 0.000 1.082 566 A CA 1.166 53.156 52.037 -0.078 0.000 0.765 566 A CB -0.255 18.709 19.000 -0.059 0.000 1.019 566 A HN 0.420 8.532 8.150 -0.064 0.000 0.507 567 G N 2.103 110.842 108.800 -0.102 0.000 2.712 567 G HA2 -0.235 nan 3.960 nan 0.000 0.686 567 G HA3 -0.235 nan 3.960 nan 0.000 0.686 567 G C -2.426 172.418 174.900 -0.093 0.000 1.181 567 G CA -0.800 44.238 45.100 -0.103 0.000 0.762 567 G HN -0.041 8.176 8.290 -0.120 0.000 0.641 568 L N -1.460 119.700 121.223 -0.104 0.000 2.334 568 L HA 0.446 nan 4.340 nan 0.000 0.270 568 L C 0.379 177.208 176.870 -0.068 0.000 1.018 568 L CA -0.680 54.109 54.840 -0.086 0.000 0.811 568 L CB 1.667 43.662 42.059 -0.106 0.000 1.271 568 L HN 0.085 8.246 8.230 -0.114 0.000 0.443 569 S N 0.886 116.552 115.700 -0.056 0.000 2.669 569 S HA 0.131 nan 4.470 nan 0.000 0.270 569 S C -0.085 174.491 174.600 -0.040 0.000 1.225 569 S CA -1.037 57.137 58.200 -0.044 0.000 0.991 569 S CB 1.487 64.665 63.200 -0.036 0.000 0.987 569 S HN 0.267 8.543 8.310 -0.057 0.000 0.552 570 E N 1.435 121.616 120.200 -0.032 0.000 1.939 570 E HA -0.122 nan 4.350 nan 0.000 0.259 570 E C -0.934 175.650 176.600 -0.026 0.000 1.259 570 E CA 0.088 56.471 56.400 -0.028 0.000 0.971 570 E CB -1.120 28.567 29.700 -0.022 0.000 1.055 570 E HN 0.327 8.670 8.360 -0.029 0.000 0.420 571 N N 4.319 123.001 118.700 -0.029 0.000 2.406 571 N HA 0.001 nan 4.740 nan 0.000 0.251 571 N C -0.669 174.827 175.510 -0.023 0.000 1.069 571 N CA -0.232 52.802 53.050 -0.027 0.000 0.947 571 N CB 0.960 39.430 38.487 -0.029 0.000 1.111 571 N HN -0.052 8.286 8.380 -0.032 0.023 0.497 572 A N 3.910 126.718 122.820 -0.019 0.000 2.448 572 A HA 0.134 nan 4.320 nan 0.000 0.239 572 A C -0.483 177.092 177.584 -0.016 0.000 1.080 572 A CA 0.183 52.211 52.037 -0.015 0.000 0.779 572 A CB 1.009 20.002 19.000 -0.011 0.000 1.026 572 A HN 0.460 8.598 8.150 -0.020 0.000 0.499 573 V N -0.268 119.638 119.914 -0.013 0.000 2.157 573 V HA -0.069 nan 4.120 nan 0.000 0.241 573 V C 0.066 176.136 176.094 -0.040 0.000 1.349 573 V CA 1.080 63.364 62.300 -0.026 0.000 1.319 573 V CB -3.155 28.652 31.823 -0.026 0.000 1.421 573 V HN 0.206 8.393 8.190 -0.005 0.000 0.501 574 C N 5.337 124.615 119.300 -0.037 0.000 5.278 574 C HA -0.019 nan 4.460 nan 0.000 0.454 574 C C 1.288 176.268 174.990 -0.016 0.000 1.082 574 C CA 1.237 60.234 59.018 -0.035 0.000 2.434 574 C CB 1.258 28.989 27.740 -0.015 0.000 2.963 574 C HN 0.867 9.044 8.230 -0.030 0.035 0.426 575 S N 2.414 118.104 115.700 -0.015 0.000 2.488 575 S HA -0.362 nan 4.470 nan 0.000 0.246 575 S C 1.441 176.035 174.600 -0.010 0.000 0.992 575 S CA 3.990 62.183 58.200 -0.012 0.000 0.963 575 S CB -0.579 62.608 63.200 -0.022 0.000 0.754 575 S HN 0.223 8.522 8.310 -0.018 0.000 0.519 576 D N 2.931 123.320 120.400 -0.018 0.000 2.370 576 D HA -0.345 nan 4.640 nan 0.000 0.190 576 D C 0.212 176.509 176.300 -0.006 0.000 1.019 576 D CA 2.829 56.816 54.000 -0.022 0.000 0.869 576 D CB -0.067 40.708 40.800 -0.041 0.000 0.944 576 D HN 0.341 8.664 8.370 -0.027 0.032 0.456 577 A N -2.869 119.961 122.820 0.017 0.000 2.462 577 A HA 0.299 nan 4.320 nan 0.000 0.261 577 A C 1.311 178.945 177.584 0.083 0.000 1.323 577 A CA -0.648 51.420 52.037 0.052 0.000 0.913 577 A CB -0.084 18.981 19.000 0.109 0.000 1.028 577 A HN -0.564 7.579 8.150 0.016 0.017 0.511 578 V N -2.941 116.999 119.914 0.043 0.000 2.370 578 V HA -0.542 nan 4.120 nan 0.000 0.252 578 V C 1.908 178.076 176.094 0.124 0.000 1.068 578 V CA 3.434 65.760 62.300 0.043 0.000 1.061 578 V CB -1.368 30.412 31.823 -0.072 0.000 0.656 578 V HN -0.204 7.911 8.190 0.015 0.084 0.455 579 S N 2.142 117.880 115.700 0.063 0.000 2.374 579 S HA -0.342 nan 4.470 nan 0.000 0.227 579 S C 2.109 176.948 174.600 0.398 0.000 1.037 579 S CA 3.919 62.188 58.200 0.114 0.000 1.024 579 S CB -0.050 63.045 63.200 -0.174 0.000 0.861 579 S HN -0.454 7.819 8.310 -0.016 0.027 0.456 580 Y N -1.330 119.177 120.300 0.345 0.000 2.558 580 Y HA 0.160 nan 4.550 nan 0.000 0.273 580 Y C 1.549 177.754 175.900 0.508 0.000 1.100 580 Y CA 0.191 58.540 58.100 0.415 0.000 1.276 580 Y CB -0.005 38.654 38.460 0.332 0.000 1.196 580 Y HN -0.716 7.683 8.280 0.235 0.022 0.527 581 C N -3.725 115.931 119.300 0.594 0.000 2.504 581 C HA 0.093 nan 4.460 nan 0.000 0.279 581 C C 0.305 175.544 174.990 0.414 0.000 1.358 581 C CA 1.862 61.178 59.018 0.496 0.000 1.747 581 C CB -0.066 27.898 27.740 0.374 0.000 2.037 581 C HN -0.330 8.190 8.230 0.483 0.000 0.503 582 G N -1.124 107.908 108.800 0.385 0.000 2.660 582 G HA2 -0.317 nan 3.960 nan 0.000 0.215 582 G HA3 -0.317 nan 3.960 nan 0.000 0.215 582 G C -2.382 172.603 174.900 0.141 0.000 1.345 582 G CA -0.579 44.719 45.100 0.331 0.000 0.877 582 G HN -0.317 8.068 8.290 0.371 0.128 0.549 583 A N -0.237 122.631 122.820 0.079 0.000 2.380 583 A HA 0.307 nan 4.320 nan 0.000 0.315 583 A C -0.921 176.666 177.584 0.004 0.000 1.101 583 A CA -1.462 50.584 52.037 0.016 0.000 0.771 583 A CB 2.502 21.488 19.000 -0.023 0.000 1.287 583 A HN 0.206 8.426 8.150 0.116 0.000 0.436 584 R N 1.957 122.445 120.500 -0.021 0.000 2.484 584 R HA -0.258 nan 4.340 nan 0.000 0.293 584 R C 0.064 176.345 176.300 -0.032 0.000 1.023 584 R CA 0.953 57.025 56.100 -0.047 0.000 1.037 584 R CB -0.438 29.834 30.300 -0.047 0.000 0.951 584 R HN 0.619 8.879 8.270 -0.017 0.000 0.418 585 D N 4.385 124.763 120.400 -0.037 0.000 2.701 585 D HA -0.276 nan 4.640 nan 0.000 0.235 585 D C -1.600 174.702 176.300 0.004 0.000 1.155 585 D CA 1.598 55.594 54.000 -0.006 0.000 0.649 585 D CB -0.425 40.382 40.800 0.011 0.000 1.050 585 D HN 0.295 8.624 8.370 -0.069 0.000 0.425 586 D N -2.111 118.293 120.400 0.006 0.000 2.570 586 D HA 0.203 nan 4.640 nan 0.000 0.244 586 D C -1.842 174.480 176.300 0.036 0.000 1.178 586 D CA -0.868 53.140 54.000 0.012 0.000 0.881 586 D CB 2.334 43.131 40.800 -0.006 0.000 1.453 586 D HN -0.680 7.684 8.370 0.004 0.008 0.447 587 R N 2.035 122.556 120.500 0.036 0.000 2.582 587 R HA 0.010 nan 4.340 nan 0.000 0.271 587 R C -0.879 175.471 176.300 0.084 0.000 1.078 587 R CA -0.151 55.990 56.100 0.068 0.000 1.127 587 R CB 1.214 31.543 30.300 0.048 0.000 1.038 587 R HN 0.092 8.374 8.270 0.019 0.000 0.500 588 Y N 3.607 123.918 120.300 0.019 0.000 2.632 588 Y HA -0.088 nan 4.550 nan 0.000 0.329 588 Y C -1.708 174.189 175.900 -0.004 0.000 1.174 588 Y CA -1.532 56.579 58.100 0.019 0.000 1.469 588 Y CB 0.922 39.391 38.460 0.015 0.000 1.242 588 Y HN 0.227 8.659 8.280 0.253 0.000 0.540 589 P HA -0.073 nan 4.420 nan 0.000 0.239 589 P C -2.021 175.154 177.300 -0.209 0.000 1.184 589 P CA 0.743 63.676 63.100 -0.278 0.000 0.760 589 P CB 0.272 31.806 31.700 -0.276 0.000 0.884 590 D N -3.546 116.779 120.400 -0.126 0.000 2.505 590 D HA 0.092 nan 4.640 nan 0.000 0.249 590 D C -0.898 175.461 176.300 0.098 0.000 1.082 590 D CA -1.628 52.381 54.000 0.015 0.000 0.839 590 D CB 2.326 43.190 40.800 0.107 0.000 1.317 590 D HN -0.941 7.334 8.370 -0.050 0.065 0.497 591 K N 3.998 124.384 120.400 -0.024 0.000 2.097 591 K HA -0.219 nan 4.320 nan 0.000 0.205 591 K C 0.994 177.551 176.600 -0.070 0.000 1.050 591 K CA 1.182 57.441 56.287 -0.047 0.000 0.938 591 K CB 0.501 32.943 32.500 -0.096 0.000 0.718 591 K HN 0.251 8.354 8.250 -0.080 0.100 0.442 592 K N -0.901 119.426 120.400 -0.122 0.000 2.380 592 K HA -0.183 nan 4.320 nan 0.000 0.267 592 K C -0.354 176.200 176.600 -0.076 0.000 0.990 592 K CA -0.026 56.130 56.287 -0.218 0.000 0.946 592 K CB 0.323 32.588 32.500 -0.393 0.000 0.937 592 K HN -0.607 7.863 8.250 -0.116 -0.290 0.491 593 A N 1.108 123.898 122.820 -0.049 0.000 2.483 593 A HA 0.108 nan 4.320 nan 0.000 0.238 593 A C 0.364 177.979 177.584 0.052 0.000 1.070 593 A CA 0.295 52.344 52.037 0.020 0.000 0.770 593 A CB 0.455 19.513 19.000 0.096 0.000 1.008 593 A HN 0.210 8.297 8.150 -0.105 0.000 0.497 594 M N 2.633 122.203 119.600 -0.049 0.000 2.246 594 M HA -0.312 nan 4.480 nan 0.000 0.350 594 M C 0.809 177.151 176.300 0.070 0.000 1.406 594 M CA 2.179 57.355 55.300 -0.207 0.000 1.089 594 M CB -0.035 32.177 32.600 -0.648 0.000 1.782 594 M HN -0.215 8.271 8.290 -0.058 -0.230 0.457 595 G N 0.991 109.910 108.800 0.199 0.000 2.176 595 G HA2 -0.319 nan 3.960 nan 0.000 0.232 595 G HA3 -0.319 nan 3.960 nan 0.000 0.232 595 G C -0.717 174.297 174.900 0.190 0.000 0.986 595 G CA -0.427 44.913 45.100 0.400 0.000 0.643 595 G HN 0.294 8.677 8.290 0.155 0.000 0.522 596 F N 3.320 123.282 119.950 0.020 0.000 2.602 596 F HA -0.033 nan 4.527 nan 0.000 0.367 596 F C -2.196 173.425 175.800 -0.298 0.000 1.126 596 F CA -0.964 56.948 58.000 -0.146 0.000 1.321 596 F CB 1.125 40.042 39.000 -0.138 0.000 1.094 596 F HN -0.517 7.910 8.300 0.324 0.067 0.594 597 P HA -0.048 nan 4.420 nan 0.000 0.245 597 P C 0.017 176.636 177.300 -1.134 0.000 1.212 597 P CA 0.981 62.931 63.100 -1.916 0.000 0.774 597 P CB -0.072 30.579 31.700 -1.748 0.000 0.999 598 F N -0.801 118.775 119.950 -0.623 0.000 2.407 598 F HA -0.339 nan 4.527 nan 0.000 0.299 598 F C 0.521 176.233 175.800 -0.147 0.000 1.097 598 F CA 2.873 60.591 58.000 -0.470 0.000 1.422 598 F CB -0.928 37.746 39.000 -0.544 0.000 1.067 598 F HN -0.044 7.638 8.300 -0.891 0.083 0.539 599 D N -2.836 117.638 120.400 0.124 0.000 2.178 599 D HA -0.318 nan 4.640 nan 0.000 0.201 599 D C 0.367 176.760 176.300 0.155 0.000 0.980 599 D CA 2.175 56.295 54.000 0.200 0.000 0.842 599 D CB -0.454 40.489 40.800 0.239 0.000 0.948 599 D HN 0.024 8.387 8.370 0.071 0.049 0.472 600 R N -1.586 119.008 120.500 0.157 0.000 2.691 600 R HA 0.156 nan 4.340 nan 0.000 0.259 600 R C -0.364 175.953 176.300 0.029 0.000 1.048 600 R CA -1.210 54.917 56.100 0.045 0.000 1.086 600 R CB 1.503 31.704 30.300 -0.165 0.000 1.166 600 R HN -0.897 7.531 8.270 0.263 0.000 0.526 601 K N 0.913 121.319 120.400 0.010 0.000 2.436 601 K HA -0.113 nan 4.320 nan 0.000 0.275 601 K C -0.658 175.955 176.600 0.022 0.000 0.999 601 K CA 0.526 56.822 56.287 0.014 0.000 0.980 601 K CB 0.381 32.886 32.500 0.008 0.000 0.919 601 K HN 0.261 8.508 8.250 -0.004 0.000 0.484 602 I N 5.012 125.589 120.570 0.011 0.000 2.362 602 I HA -0.048 nan 4.170 nan 0.000 0.289 602 I C -0.785 175.371 176.117 0.066 0.000 0.994 602 I CA -0.689 60.630 61.300 0.031 0.000 1.158 602 I CB 1.020 38.965 38.000 -0.090 0.000 1.315 602 I HN 0.135 8.348 8.210 0.005 0.000 0.451 603 E N 7.052 127.318 120.200 0.111 0.000 2.106 603 E HA -0.183 nan 4.350 nan 0.000 0.192 603 E C -0.227 176.423 176.600 0.083 0.000 0.984 603 E CA 1.858 58.310 56.400 0.087 0.000 0.806 603 E CB 0.441 30.197 29.700 0.093 0.000 0.750 603 E HN 0.379 8.837 8.360 0.164 0.000 0.458 604 A N -3.006 119.887 122.820 0.121 0.000 2.407 604 A HA 0.045 nan 4.320 nan 0.000 0.248 604 A C 0.641 178.269 177.584 0.074 0.000 1.082 604 A CA 0.304 52.405 52.037 0.106 0.000 0.785 604 A CB 0.547 19.640 19.000 0.154 0.000 1.020 604 A HN -0.410 7.819 8.150 0.175 0.026 0.489 605 R N -0.185 120.348 120.500 0.055 0.000 2.090 605 R HA -0.143 nan 4.340 nan 0.000 0.228 605 R C -0.007 176.315 176.300 0.036 0.000 1.110 605 R CA 1.308 57.429 56.100 0.036 0.000 0.973 605 R CB 0.311 30.627 30.300 0.026 0.000 0.869 605 R HN 0.471 8.774 8.270 0.056 0.000 0.440 606 T N -4.002 110.585 114.554 0.055 0.000 2.908 606 T HA 0.290 nan 4.350 nan 0.000 0.290 606 T C -0.620 174.138 174.700 0.098 0.000 1.034 606 T CA -2.120 60.013 62.100 0.056 0.000 1.010 606 T CB 2.796 71.691 68.868 0.046 0.000 1.068 606 T HN -0.934 7.345 8.240 0.066 0.000 0.481 607 A N 4.955 127.836 122.820 0.102 0.000 1.933 607 A HA -0.168 nan 4.320 nan 0.000 0.218 607 A C 1.604 179.312 177.584 0.206 0.000 1.175 607 A CA 3.101 55.230 52.037 0.154 0.000 0.628 607 A CB -0.186 18.914 19.000 0.166 0.000 0.814 607 A HN 0.428 8.621 8.150 0.072 0.000 0.444 608 A N -2.274 120.638 122.820 0.154 0.000 1.940 608 A HA -0.270 nan 4.320 nan 0.000 0.219 608 A C 2.376 180.044 177.584 0.141 0.000 1.176 608 A CA 2.740 54.864 52.037 0.146 0.000 0.631 608 A CB -0.640 18.416 19.000 0.095 0.000 0.814 608 A HN -0.342 7.857 8.150 0.116 0.021 0.446 609 E N -1.887 118.389 120.200 0.128 0.000 2.153 609 E HA -0.320 nan 4.350 nan 0.000 0.194 609 E C 1.051 177.718 176.600 0.112 0.000 0.988 609 E CA 1.956 58.416 56.400 0.100 0.000 0.811 609 E CB -0.193 29.561 29.700 0.089 0.000 0.746 609 E HN -0.561 7.760 8.360 0.124 0.113 0.466 610 F N -2.748 117.225 119.950 0.039 0.000 2.186 610 F HA -0.225 nan 4.527 nan 0.000 0.299 610 F C -0.289 175.532 175.800 0.035 0.000 1.090 610 F CA 1.411 59.424 58.000 0.023 0.000 1.307 610 F CB 0.625 39.621 39.000 -0.006 0.000 1.019 610 F HN -0.681 7.644 8.300 0.312 0.163 0.489 611 L N -1.014 120.292 121.223 0.138 0.000 2.525 611 L HA -0.128 nan 4.340 nan 0.000 0.278 611 L C 0.387 177.222 176.870 -0.059 0.000 1.218 611 L CA 0.854 55.756 54.840 0.103 0.000 0.878 611 L CB -0.153 42.000 42.059 0.157 0.000 1.127 611 L HN -0.709 7.498 8.230 0.216 0.153 0.492 612 T N -0.362 114.150 114.554 -0.070 0.000 2.910 612 T HA 0.476 nan 4.350 nan 0.000 0.279 612 T C -0.605 174.082 174.700 -0.022 0.000 0.989 612 T CA -3.109 58.947 62.100 -0.074 0.000 0.968 612 T CB 0.479 69.297 68.868 -0.084 0.000 1.135 612 T HN -0.522 7.711 8.240 -0.012 0.000 0.562 613 P HA -0.031 nan 4.420 nan 0.000 0.223 613 P C -0.756 176.545 177.300 0.001 0.000 1.151 613 P CA 1.934 65.030 63.100 -0.006 0.000 0.787 613 P CB 0.136 31.832 31.700 -0.006 0.000 0.788 614 N N -4.043 114.667 118.700 0.016 0.000 2.327 614 N HA 0.017 nan 4.740 nan 0.000 0.231 614 N C -1.595 173.887 175.510 -0.046 0.000 1.130 614 N CA -0.829 52.232 53.050 0.018 0.000 0.845 614 N CB -0.278 38.267 38.487 0.096 0.000 1.073 614 N HN -0.459 7.891 8.380 0.018 0.041 0.496 615 M N -1.142 118.414 119.600 -0.073 0.000 2.619 615 M HA 0.588 nan 4.480 nan 0.000 0.297 615 M C -1.415 174.765 176.300 -0.199 0.000 1.229 615 M CA -0.417 54.764 55.300 -0.198 0.000 0.860 615 M CB 5.269 37.877 32.600 0.013 0.000 1.741 615 M HN -0.693 7.480 8.290 -0.040 0.093 0.462 616 G N -1.028 107.545 108.800 -0.379 0.000 2.742 616 G HA2 0.242 nan 3.960 nan 0.000 0.296 616 G HA3 0.242 nan 3.960 nan 0.000 0.296 616 G C -3.575 171.245 174.900 -0.134 0.000 1.436 616 G CA 0.130 45.130 45.100 -0.167 0.000 0.928 616 G HN 0.470 8.278 8.290 -0.803 0.000 0.520 617 L N 0.167 121.420 121.223 0.050 0.000 2.381 617 L HA 0.755 nan 4.340 nan 0.000 0.274 617 L C -0.878 176.053 176.870 0.103 0.000 0.988 617 L CA -0.615 54.315 54.840 0.149 0.000 0.824 617 L CB 3.027 45.233 42.059 0.246 0.000 1.263 617 L HN 0.053 8.317 8.230 0.056 0.000 0.410 618 T N 5.750 120.369 114.554 0.108 0.000 2.824 618 T HA 0.368 nan 4.350 nan 0.000 0.282 618 T C -1.981 172.782 174.700 0.106 0.000 0.993 618 T CA -1.187 60.965 62.100 0.088 0.000 0.967 618 T CB 2.132 71.046 68.868 0.077 0.000 0.960 618 T HN 0.744 8.951 8.240 0.133 0.113 0.441 619 D N 4.554 125.006 120.400 0.088 0.000 2.249 619 D HA 0.651 nan 4.640 nan 0.000 0.246 619 D C -1.026 175.327 176.300 0.088 0.000 1.114 619 D CA -0.930 53.126 54.000 0.093 0.000 0.854 619 D CB 0.494 41.335 40.800 0.068 0.000 1.132 619 D HN 0.057 8.470 8.370 0.072 0.000 0.461 620 I N -4.501 116.135 120.570 0.111 0.000 3.108 620 I HA 0.749 nan 4.170 nan 0.000 0.312 620 I C -1.877 174.315 176.117 0.126 0.000 1.095 620 I CA -2.569 58.782 61.300 0.084 0.000 1.000 620 I CB 3.829 41.855 38.000 0.042 0.000 1.229 620 I HN 0.393 8.691 8.210 0.147 0.000 0.454 621 K N -0.638 119.816 120.400 0.090 0.000 2.259 621 K HA 0.764 nan 4.320 nan 0.000 0.249 621 K C -1.578 175.080 176.600 0.097 0.000 0.942 621 K CA -2.226 54.136 56.287 0.126 0.000 0.816 621 K CB 3.060 35.605 32.500 0.075 0.000 1.155 621 K HN 0.266 8.541 8.250 0.042 0.000 0.428 622 I N 2.693 123.363 120.570 0.166 0.000 2.389 622 I HA 0.528 nan 4.170 nan 0.000 0.288 622 I C -2.040 174.143 176.117 0.111 0.000 0.999 622 I CA -0.985 60.366 61.300 0.085 0.000 1.129 622 I CB 1.946 39.966 38.000 0.034 0.000 1.288 622 I HN 0.702 9.080 8.210 0.280 0.000 0.444 623 K N 5.121 125.558 120.400 0.062 0.000 2.345 623 K HA 0.611 nan 4.320 nan 0.000 0.255 623 K C -1.776 174.873 176.600 0.082 0.000 0.934 623 K CA -2.342 53.974 56.287 0.049 0.000 0.801 623 K CB 2.772 35.243 32.500 -0.050 0.000 1.137 623 K HN 0.569 8.839 8.250 0.033 0.000 0.424 624 F N 4.897 124.846 119.950 -0.001 0.000 2.375 624 F HA 0.344 nan 4.527 nan 0.000 0.333 624 F C -1.650 174.196 175.800 0.077 0.000 1.104 624 F CA -0.975 57.047 58.000 0.038 0.000 1.149 624 F CB 2.672 41.692 39.000 0.033 0.000 1.190 624 F HN 0.543 8.824 8.300 0.253 0.171 0.533 625 H N 7.110 125.536 119.070 -1.073 0.000 2.481 625 H HA 0.309 nan 4.556 nan 0.000 0.333 625 H C -1.223 173.671 175.328 -0.722 0.000 1.066 625 H CA -1.697 53.988 56.048 -0.605 0.000 1.209 625 H CB 3.244 32.741 29.762 -0.441 0.000 1.445 625 H HN 0.331 7.501 8.280 -1.850 0.000 0.488 626 G N 0.000 108.526 108.800 -0.457 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 45.009 45.100 -0.151 0.000 0.502 626 G HN 0.000 8.008 8.290 -0.470 0.000 0.925