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_M 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 0.000 174.644 174.700 -0.094 0.000 1.109 1 T CA 0.000 62.063 62.100 -0.062 0.000 1.349 1 T CB 0.000 68.839 68.868 -0.049 0.000 0.612 2 V N 2.442 122.292 119.914 -0.107 0.000 2.407 2 V HA -0.170 nan 4.120 nan 0.000 0.248 2 V C 1.176 177.193 176.094 -0.129 0.000 1.055 2 V CA 3.372 65.585 62.300 -0.144 0.000 1.049 2 V CB -0.363 31.378 31.823 -0.136 0.000 0.662 2 V HN 0.634 8.770 8.190 -0.090 0.000 0.455 3 A N -1.057 121.708 122.820 -0.091 0.000 1.902 3 A HA -0.345 nan 4.320 nan 0.000 0.217 3 A C 1.038 178.589 177.584 -0.056 0.000 1.181 3 A CA 3.371 55.364 52.037 -0.072 0.000 0.623 3 A CB -0.936 18.034 19.000 -0.050 0.000 0.818 3 A HN -0.024 8.077 8.150 -0.080 0.000 0.443 4 D N -2.343 118.028 120.400 -0.048 0.000 2.117 4 D HA -0.232 nan 4.640 nan 0.000 0.197 4 D C 2.222 178.510 176.300 -0.020 0.000 0.987 4 D CA 3.189 57.177 54.000 -0.021 0.000 0.829 4 D CB -0.264 40.530 40.800 -0.011 0.000 0.961 4 D HN 0.019 8.237 8.370 -0.057 0.119 0.460 5 K N -0.245 120.105 120.400 -0.084 0.000 2.057 5 K HA -0.383 nan 4.320 nan 0.000 0.207 5 K C 2.460 179.019 176.600 -0.069 0.000 1.049 5 K CA 3.017 59.219 56.287 -0.141 0.000 0.931 5 K CB -0.062 32.205 32.500 -0.389 0.000 0.714 5 K HN -0.554 7.530 8.250 -0.111 0.099 0.440 6 Q N -1.860 117.887 119.800 -0.088 0.000 2.084 6 Q HA -0.309 nan 4.340 nan 0.000 0.202 6 Q C 2.434 178.443 176.000 0.015 0.000 0.978 6 Q CA 2.959 58.724 55.803 -0.062 0.000 0.844 6 Q CB -0.261 28.418 28.738 -0.098 0.000 0.898 6 Q HN 0.056 8.168 8.270 -0.111 0.092 0.426 7 A N -1.088 121.747 122.820 0.024 0.000 1.902 7 A HA -0.272 nan 4.320 nan 0.000 0.217 7 A C 1.267 178.915 177.584 0.106 0.000 1.181 7 A CA 2.710 54.784 52.037 0.061 0.000 0.623 7 A CB -0.712 18.317 19.000 0.047 0.000 0.818 7 A HN -0.274 7.777 8.150 -0.001 0.098 0.443 8 R N -3.151 117.425 120.500 0.127 0.000 2.096 8 R HA -0.257 nan 4.340 nan 0.000 0.235 8 R C 2.599 179.028 176.300 0.214 0.000 1.127 8 R CA 2.634 58.839 56.100 0.176 0.000 0.968 8 R CB 0.076 30.523 30.300 0.246 0.000 0.861 8 R HN -0.477 7.767 8.270 0.102 0.087 0.440 9 L N -1.017 120.357 121.223 0.252 0.000 2.083 9 L HA -0.298 nan 4.340 nan 0.000 0.209 9 L C 2.667 179.758 176.870 0.369 0.000 1.083 9 L CA 2.974 58.007 54.840 0.321 0.000 0.752 9 L CB -0.395 41.856 42.059 0.320 0.000 0.899 9 L HN -0.222 8.059 8.230 0.213 0.077 0.433 10 M N -1.114 118.652 119.600 0.278 0.000 2.086 10 M HA -0.257 nan 4.480 nan 0.000 0.261 10 M C -0.740 175.774 176.300 0.357 0.000 1.067 10 M CA 5.833 61.338 55.300 0.341 0.000 1.116 10 M CB -2.369 30.390 32.600 0.265 0.000 1.348 10 M HN -0.255 8.152 8.290 0.195 0.000 0.407 11 P HA -0.159 nan 4.420 nan 0.000 0.225 11 P C 0.485 177.856 177.300 0.119 0.000 1.148 11 P CA 2.258 65.464 63.100 0.176 0.000 0.779 11 P CB -0.794 30.982 31.700 0.127 0.000 0.780 12 L N -3.197 118.070 121.223 0.073 0.000 2.083 12 L HA -0.358 nan 4.340 nan 0.000 0.209 12 L C 1.681 178.399 176.870 -0.253 0.000 1.083 12 L CA 2.675 57.427 54.840 -0.147 0.000 0.752 12 L CB -0.287 41.580 42.059 -0.319 0.000 0.899 12 L HN -0.211 7.950 8.230 0.158 0.164 0.433 13 F N -4.903 115.101 119.950 0.091 0.000 2.558 13 F HA -0.222 nan 4.527 nan 0.000 0.298 13 F C 0.094 175.942 175.800 0.081 0.000 1.119 13 F CA 1.611 59.668 58.000 0.096 0.000 1.451 13 F CB -0.224 38.856 39.000 0.134 0.000 1.091 13 F HN -0.739 7.597 8.300 0.251 0.115 0.563 14 K N -2.017 118.516 120.400 0.221 0.000 2.144 14 K HA -0.023 nan 4.320 nan 0.000 0.270 14 K C -0.116 176.592 176.600 0.180 0.000 1.005 14 K CA -0.159 56.224 56.287 0.159 0.000 0.932 14 K CB 0.528 33.160 32.500 0.219 0.000 1.021 14 K HN -0.995 7.200 8.250 0.208 0.181 0.462 15 H N -1.046 118.043 119.070 0.033 0.000 2.692 15 H HA -0.328 nan 4.556 nan 0.000 0.316 15 H C 0.764 176.115 175.328 0.038 0.000 1.176 15 H CA 0.983 57.050 56.048 0.032 0.000 1.142 15 H CB -2.040 27.746 29.762 0.040 0.000 1.475 15 H HN 0.794 8.954 8.280 -0.201 0.000 0.423 16 L N -2.571 118.707 121.223 0.092 0.000 2.083 16 L HA -0.332 nan 4.340 nan 0.000 0.209 16 L C 1.637 178.598 176.870 0.152 0.000 1.083 16 L CA 2.932 57.846 54.840 0.123 0.000 0.752 16 L CB -1.113 41.045 42.059 0.164 0.000 0.899 16 L HN 0.240 8.474 8.230 0.008 0.000 0.433 17 T N -0.987 113.657 114.554 0.149 0.000 2.708 17 T HA -0.314 nan 4.350 nan 0.000 0.266 17 T C 2.133 176.910 174.700 0.128 0.000 1.037 17 T CA 4.056 66.250 62.100 0.156 0.000 1.146 17 T CB -0.716 68.238 68.868 0.143 0.000 0.865 17 T HN 0.192 8.488 8.240 0.112 0.011 0.435 18 A N 1.145 124.045 122.820 0.133 0.000 1.969 18 A HA -0.096 nan 4.320 nan 0.000 0.218 18 A C 1.216 178.851 177.584 0.085 0.000 1.169 18 A CA 2.004 54.106 52.037 0.109 0.000 0.635 18 A CB -0.884 18.195 19.000 0.132 0.000 0.810 18 A HN -0.154 8.073 8.150 0.158 0.018 0.445 19 L N -3.346 117.938 121.223 0.101 0.000 2.349 19 L HA -0.206 nan 4.340 nan 0.000 0.220 19 L C 0.584 177.489 176.870 0.059 0.000 1.130 19 L CA 1.241 56.126 54.840 0.075 0.000 0.791 19 L CB -0.179 41.929 42.059 0.082 0.000 0.918 19 L HN -0.370 7.777 8.230 0.127 0.159 0.444 20 T N -0.251 114.343 114.554 0.066 0.000 2.905 20 T HA -0.218 nan 4.350 nan 0.000 0.400 20 T C -0.677 174.041 174.700 0.030 0.000 1.098 20 T CA 0.199 62.329 62.100 0.051 0.000 1.095 20 T CB 0.197 69.100 68.868 0.057 0.000 1.281 20 T HN -0.869 7.387 8.240 0.083 0.034 0.515 21 R N 1.058 121.571 120.500 0.021 0.000 2.080 21 R HA -0.298 nan 4.340 nan 0.000 0.362 21 R C -1.025 175.277 176.300 0.004 0.000 1.156 21 R CA 1.256 57.362 56.100 0.011 0.000 0.964 21 R CB -0.381 29.924 30.300 0.008 0.000 2.865 21 R HN 0.315 8.599 8.270 0.024 0.000 0.490 22 E N 4.860 125.058 120.200 -0.003 0.000 2.051 22 E HA -0.263 nan 4.350 nan 0.000 0.192 22 E C -0.768 175.824 176.600 -0.013 0.000 0.991 22 E CA 1.362 57.754 56.400 -0.013 0.000 0.799 22 E CB -0.118 29.571 29.700 -0.020 0.000 0.748 22 E HN 0.348 8.707 8.360 -0.002 0.000 0.449 23 K N -3.231 117.163 120.400 -0.010 0.000 3.088 23 K HA -0.296 nan 4.320 nan 0.000 0.273 23 K C -1.526 175.067 176.600 -0.011 0.000 1.111 23 K CA 0.334 56.615 56.287 -0.009 0.000 0.803 23 K CB -1.090 31.405 32.500 -0.009 0.000 1.226 23 K HN -0.265 7.981 8.250 -0.008 0.000 0.485 24 L N -0.869 120.346 121.223 -0.014 0.000 2.333 24 L HA 0.369 nan 4.340 nan 0.000 0.280 24 L C -1.762 175.102 176.870 -0.010 0.000 1.004 24 L CA -2.799 52.033 54.840 -0.014 0.000 0.820 24 L CB 1.108 43.154 42.059 -0.022 0.000 1.247 24 L HN -0.277 7.943 8.230 -0.014 0.001 0.416 25 P HA 0.008 nan 4.420 nan 0.000 0.217 25 P C -1.623 175.674 177.300 -0.006 0.000 1.151 25 P CA 0.976 64.074 63.100 -0.004 0.000 0.828 25 P CB 0.284 31.983 31.700 -0.001 0.000 0.788 26 L N -3.064 118.155 121.223 -0.007 0.000 2.592 26 L HA 0.156 nan 4.340 nan 0.000 0.258 26 L C -0.453 176.411 176.870 -0.011 0.000 0.926 26 L CA -0.849 53.986 54.840 -0.009 0.000 0.885 26 L CB 2.710 44.766 42.059 -0.005 0.000 1.380 26 L HN -0.751 7.476 8.230 -0.005 0.000 0.415 27 D N 0.878 121.267 120.400 -0.018 0.000 2.317 27 D HA -0.213 nan 4.640 nan 0.000 0.211 27 D C 0.940 177.231 176.300 -0.016 0.000 0.966 27 D CA 2.237 56.223 54.000 -0.023 0.000 0.876 27 D CB 0.042 40.821 40.800 -0.035 0.000 0.927 27 D HN 0.288 8.647 8.370 -0.019 0.000 0.519 28 Q N -0.769 119.024 119.800 -0.011 0.000 2.135 28 Q HA -0.276 nan 4.340 nan 0.000 0.204 28 Q C 0.923 176.921 176.000 -0.003 0.000 0.981 28 Q CA 1.886 57.684 55.803 -0.008 0.000 0.856 28 Q CB -1.145 27.589 28.738 -0.006 0.000 0.902 28 Q HN 0.113 8.352 8.270 -0.012 0.024 0.425 29 R N -2.205 118.295 120.500 0.001 0.000 2.091 29 R HA -0.128 nan 4.340 nan 0.000 0.238 29 R C 0.012 176.318 176.300 0.010 0.000 1.136 29 R CA 1.818 57.922 56.100 0.007 0.000 0.959 29 R CB -0.330 29.979 30.300 0.014 0.000 0.856 29 R HN 0.061 8.328 8.270 -0.000 0.003 0.437 30 D N 0.379 120.784 120.400 0.008 0.000 2.470 30 D HA 0.095 nan 4.640 nan 0.000 0.226 30 D C -0.772 175.527 176.300 -0.001 0.000 1.196 30 D CA 0.439 54.444 54.000 0.009 0.000 0.979 30 D CB -1.342 39.458 40.800 -0.001 0.000 1.059 30 D HN -0.347 7.907 8.370 0.001 0.117 0.515 31 E N 2.861 123.064 120.200 0.004 0.000 2.106 31 E HA -0.315 nan 4.350 nan 0.000 0.192 31 E C 2.180 178.780 176.600 0.000 0.000 0.984 31 E CA 3.149 59.549 56.400 0.000 0.000 0.806 31 E CB 0.087 29.789 29.700 0.003 0.000 0.750 31 E HN -0.072 8.246 8.360 0.008 0.047 0.458 32 R N -0.767 119.738 120.500 0.008 0.000 2.081 32 R HA -0.254 nan 4.340 nan 0.000 0.235 32 R C 2.328 178.628 176.300 0.000 0.000 1.131 32 R CA 2.701 58.809 56.100 0.014 0.000 0.960 32 R CB -0.495 29.823 30.300 0.030 0.000 0.856 32 R HN 0.256 8.522 8.270 0.013 0.013 0.436 33 L N -4.234 116.980 121.223 -0.015 0.000 2.465 33 L HA -0.156 nan 4.340 nan 0.000 0.224 33 L C 0.989 177.824 176.870 -0.058 0.000 1.145 33 L CA 1.835 56.645 54.840 -0.050 0.000 0.834 33 L CB -1.178 40.839 42.059 -0.069 0.000 0.944 33 L HN -0.072 8.017 8.230 -0.008 0.136 0.451 34 K N 0.136 120.514 120.400 -0.036 0.000 2.074 34 K HA -0.309 nan 4.320 nan 0.000 0.209 34 K C 1.815 178.390 176.600 -0.042 0.000 1.048 34 K CA 2.782 59.048 56.287 -0.036 0.000 0.926 34 K CB -1.189 31.297 32.500 -0.022 0.000 0.713 34 K HN -0.250 7.797 8.250 -0.024 0.189 0.444 35 G N -2.015 106.762 108.800 -0.039 0.000 2.586 35 G HA2 -0.169 nan 3.960 nan 0.000 0.215 35 G HA3 -0.169 nan 3.960 nan 0.000 0.215 35 G C -0.856 174.010 174.900 -0.056 0.000 1.128 35 G CA 0.300 45.376 45.100 -0.039 0.000 0.774 35 G HN 0.095 8.341 8.290 -0.033 0.024 0.543 36 V N -2.182 117.683 119.914 -0.081 0.000 3.426 36 V HA 0.318 nan 4.120 nan 0.000 0.305 36 V C -0.753 175.268 176.094 -0.121 0.000 1.350 36 V CA -1.771 60.464 62.300 -0.109 0.000 1.013 36 V CB 2.344 34.077 31.823 -0.149 0.000 1.191 36 V HN -0.479 7.581 8.190 -0.084 0.080 0.479 37 G N -0.910 107.801 108.800 -0.149 0.000 2.155 37 G HA2 -0.402 nan 3.960 nan 0.000 0.257 37 G HA3 -0.402 nan 3.960 nan 0.000 0.257 37 G C -0.196 174.662 174.900 -0.071 0.000 0.983 37 G CA 1.606 46.637 45.100 -0.115 0.000 0.676 37 G HN 0.517 8.691 8.290 -0.193 0.000 0.528 38 I N -6.155 114.376 120.570 -0.066 0.000 2.406 38 I HA -0.011 nan 4.170 nan 0.000 0.249 38 I C 0.158 176.244 176.117 -0.051 0.000 1.122 38 I CA 0.983 62.251 61.300 -0.054 0.000 1.431 38 I CB 0.371 38.339 38.000 -0.054 0.000 1.087 38 I HN -0.456 7.667 8.210 -0.074 0.042 0.424 39 L N 2.831 124.025 121.223 -0.048 0.000 2.313 39 L HA 0.383 nan 4.340 nan 0.000 0.282 39 L C -2.614 174.261 176.870 0.009 0.000 1.092 39 L CA -2.496 52.325 54.840 -0.032 0.000 0.831 39 L CB 0.292 42.345 42.059 -0.009 0.000 1.159 39 L HN -0.763 7.605 8.230 -0.045 -0.165 0.442 40 P HA 0.102 nan 4.420 nan 0.000 0.268 40 P C -0.035 177.301 177.300 0.060 0.000 1.205 40 P CA -0.007 63.111 63.100 0.030 0.000 0.771 40 P CB 0.588 32.305 31.700 0.029 0.000 0.858 41 R N 5.162 125.696 120.500 0.056 0.000 2.122 41 R HA -0.422 nan 4.340 nan 0.000 0.236 41 R C 2.146 178.505 176.300 0.098 0.000 1.129 41 R CA 3.311 59.458 56.100 0.078 0.000 0.925 41 R CB -1.032 29.308 30.300 0.065 0.000 0.850 41 R HN 0.479 8.773 8.270 0.040 0.000 0.431 42 G N -1.793 107.056 108.800 0.081 0.000 2.432 42 G HA2 -0.175 nan 3.960 nan 0.000 0.219 42 G HA3 -0.175 nan 3.960 nan 0.000 0.219 42 G C 0.073 175.026 174.900 0.087 0.000 1.135 42 G CA 0.340 45.489 45.100 0.081 0.000 0.767 42 G HN 0.223 8.553 8.290 0.067 0.000 0.550 43 T N -0.534 114.079 114.554 0.097 0.000 2.906 43 T HA -0.206 nan 4.350 nan 0.000 0.320 43 T C -0.272 174.510 174.700 0.136 0.000 1.088 43 T CA -0.094 62.072 62.100 0.109 0.000 1.120 43 T CB 0.808 69.751 68.868 0.126 0.000 1.000 43 T HN -0.683 7.576 8.240 0.092 0.037 0.550 44 L N 0.779 122.064 121.223 0.103 0.000 2.397 44 L HA 0.166 nan 4.340 nan 0.000 0.271 44 L C 0.060 177.020 176.870 0.149 0.000 1.148 44 L CA 0.007 54.905 54.840 0.096 0.000 0.825 44 L CB 0.537 42.604 42.059 0.013 0.000 1.117 44 L HN 0.057 8.333 8.230 0.076 0.000 0.456 45 F N 3.370 123.332 119.950 0.019 0.000 2.404 45 F HA 0.059 nan 4.527 nan 0.000 0.339 45 F C -1.083 174.558 175.800 -0.265 0.000 1.105 45 F CA -1.111 56.863 58.000 -0.043 0.000 1.087 45 F CB 2.329 41.378 39.000 0.082 0.000 1.143 45 F HN -0.289 8.173 8.300 0.270 0.000 0.491 46 S N 5.653 120.428 115.700 -1.542 0.000 2.437 46 S HA 0.151 nan 4.470 nan 0.000 0.305 46 S C 0.191 174.082 174.600 -1.181 0.000 1.109 46 S CA -1.189 56.396 58.200 -1.025 0.000 1.099 46 S CB 1.553 64.264 63.200 -0.814 0.000 1.004 46 S HN -0.239 6.553 8.310 -2.530 0.000 0.475 47 C N 7.065 125.923 119.300 -0.737 0.000 2.450 47 C HA 0.020 nan 4.460 nan 0.000 0.279 47 C C 0.679 175.122 174.990 -0.911 0.000 1.335 47 C CA 1.336 59.859 59.018 -0.825 0.000 1.749 47 C CB -0.328 26.883 27.740 -0.882 0.000 1.963 47 C HN 0.215 8.159 8.230 -0.478 0.000 0.501 48 F N -4.794 114.954 119.950 -0.337 0.000 2.219 48 F HA -0.072 nan 4.527 nan 0.000 0.294 48 F C -0.071 175.505 175.800 -0.373 0.000 1.086 48 F CA 1.713 59.537 58.000 -0.293 0.000 1.330 48 F CB 0.086 38.939 39.000 -0.246 0.000 1.047 48 F HN -0.928 7.076 8.300 -0.456 0.023 0.495 49 H N 0.365 119.239 119.070 -0.327 0.000 2.897 49 H HA -0.075 nan 4.556 nan 0.000 0.347 49 H C 0.649 175.793 175.328 -0.307 0.000 1.068 49 H CA 0.223 56.044 56.048 -0.378 0.000 1.426 49 H CB 2.017 31.654 29.762 -0.209 0.000 1.410 49 H HN -0.704 7.465 8.280 -0.186 0.000 0.597 50 A N 6.908 129.322 122.820 -0.677 0.000 1.877 50 A HA -0.297 nan 4.320 nan 0.000 0.216 50 A C 1.640 179.203 177.584 -0.034 0.000 1.186 50 A CA 3.573 55.418 52.037 -0.319 0.000 0.620 50 A CB -0.107 18.710 19.000 -0.305 0.000 0.822 50 A HN 0.684 8.027 8.150 -1.345 0.000 0.443 51 R N -2.630 118.002 120.500 0.221 0.000 2.096 51 R HA -0.336 nan 4.340 nan 0.000 0.235 51 R C 2.236 178.588 176.300 0.088 0.000 1.127 51 R CA 3.037 59.245 56.100 0.179 0.000 0.968 51 R CB -1.003 29.414 30.300 0.195 0.000 0.861 51 R HN -0.676 7.758 8.270 0.272 0.000 0.440 52 H N -0.150 118.933 119.070 0.022 0.000 2.423 52 H HA -0.141 nan 4.556 nan 0.000 0.297 52 H C 2.658 177.970 175.328 -0.026 0.000 1.075 52 H CA 3.675 59.652 56.048 -0.118 0.000 1.342 52 H CB 0.282 29.681 29.762 -0.605 0.000 1.395 52 H HN -0.577 7.905 8.280 0.375 0.023 0.530 53 L N -1.879 119.361 121.223 0.029 0.000 2.240 53 L HA -0.219 nan 4.340 nan 0.000 0.211 53 L C 1.575 178.435 176.870 -0.016 0.000 1.106 53 L CA 1.943 56.786 54.840 0.006 0.000 0.793 53 L CB -0.512 41.517 42.059 -0.050 0.000 0.927 53 L HN -0.341 7.787 8.230 0.002 0.104 0.446 54 A N 0.210 123.026 122.820 -0.006 0.000 1.855 54 A HA -0.335 nan 4.320 nan 0.000 0.215 54 A C 1.629 179.188 177.584 -0.042 0.000 1.191 54 A CA 3.512 55.535 52.037 -0.023 0.000 0.613 54 A CB -0.950 18.047 19.000 -0.005 0.000 0.829 54 A HN 0.331 8.365 8.150 0.012 0.123 0.442 55 E N -2.172 118.018 120.200 -0.017 0.000 2.153 55 E HA -0.372 nan 4.350 nan 0.000 0.194 55 E C 2.209 178.773 176.600 -0.060 0.000 0.988 55 E CA 2.562 58.946 56.400 -0.026 0.000 0.811 55 E CB -0.401 29.297 29.700 -0.002 0.000 0.746 55 E HN -0.164 8.200 8.360 0.006 0.000 0.466 56 A N -1.456 121.325 122.820 -0.065 0.000 1.898 56 A HA -0.228 nan 4.320 nan 0.000 0.216 56 A C 1.931 179.083 177.584 -0.719 0.000 1.181 56 A CA 3.011 54.892 52.037 -0.261 0.000 0.620 56 A CB -1.053 17.866 19.000 -0.136 0.000 0.819 56 A HN -0.446 7.701 8.150 0.024 0.018 0.442 57 T N 0.426 114.679 114.554 -0.502 0.000 2.684 57 T HA -0.343 nan 4.350 nan 0.000 0.267 57 T C 1.695 176.257 174.700 -0.231 0.000 1.036 57 T CA 4.747 66.597 62.100 -0.417 0.000 1.148 57 T CB -0.501 68.284 68.868 -0.138 0.000 0.863 57 T HN -0.173 7.818 8.240 -0.276 0.083 0.436 58 E N 0.436 120.551 120.200 -0.141 0.000 2.209 58 E HA -0.257 nan 4.350 nan 0.000 0.196 58 E C 2.185 178.786 176.600 0.001 0.000 0.993 58 E CA 2.821 59.188 56.400 -0.055 0.000 0.819 58 E CB -0.505 29.165 29.700 -0.049 0.000 0.745 58 E HN -0.385 7.890 8.360 -0.141 0.000 0.477 59 L N -1.485 119.734 121.223 -0.008 0.000 2.068 59 L HA -0.278 nan 4.340 nan 0.000 0.204 59 L C 2.023 179.091 176.870 0.331 0.000 1.076 59 L CA 2.586 57.539 54.840 0.189 0.000 0.753 59 L CB -0.176 42.084 42.059 0.334 0.000 0.910 59 L HN -0.868 7.138 8.230 -0.130 0.146 0.439 60 Y N -2.181 118.265 120.300 0.244 0.000 2.014 60 Y HA -0.495 nan 4.550 nan 0.000 0.272 60 Y C 2.520 178.626 175.900 0.344 0.000 1.164 60 Y CA 1.979 60.280 58.100 0.335 0.000 1.114 60 Y CB -1.788 36.774 38.460 0.170 0.000 0.961 60 Y HN -0.281 7.985 8.280 -0.023 0.000 0.489 61 V N -5.389 114.678 119.914 0.256 0.000 2.392 61 V HA -0.459 nan 4.120 nan 0.000 0.249 61 V C 1.834 178.046 176.094 0.197 0.000 1.059 61 V CA 3.335 65.705 62.300 0.116 0.000 1.051 61 V CB -1.730 30.086 31.823 -0.013 0.000 0.658 61 V HN 0.058 8.358 8.190 0.184 0.000 0.455 62 A N 0.039 122.971 122.820 0.187 0.000 1.898 62 A HA -0.215 nan 4.320 nan 0.000 0.216 62 A C 1.697 179.397 177.584 0.193 0.000 1.181 62 A CA 3.135 55.267 52.037 0.158 0.000 0.620 62 A CB -0.653 18.421 19.000 0.123 0.000 0.819 62 A HN -0.474 7.779 8.150 0.173 0.000 0.442 63 L N -2.975 118.402 121.223 0.258 0.000 2.395 63 L HA -0.239 nan 4.340 nan 0.000 0.218 63 L C 1.533 178.584 176.870 0.301 0.000 1.130 63 L CA 2.157 57.118 54.840 0.202 0.000 0.826 63 L CB -0.498 41.616 42.059 0.092 0.000 0.941 63 L HN -0.374 7.963 8.230 0.330 0.091 0.451 64 Y N -1.757 118.657 120.300 0.190 0.000 2.286 64 Y HA -0.356 nan 4.550 nan 0.000 0.293 64 Y C 2.252 178.219 175.900 0.112 0.000 1.124 64 Y CA 2.496 60.685 58.100 0.147 0.000 1.178 64 Y CB -0.111 38.398 38.460 0.081 0.000 1.010 64 Y HN -0.030 8.559 8.280 0.695 0.107 0.536 65 G N -3.120 105.833 108.800 0.256 0.000 2.471 65 G HA2 -0.262 nan 3.960 nan 0.000 0.219 65 G HA3 -0.262 nan 3.960 nan 0.000 0.219 65 G C -0.487 174.487 174.900 0.124 0.000 1.125 65 G CA 0.034 45.226 45.100 0.153 0.000 0.775 65 G HN -0.199 8.090 8.290 0.288 0.174 0.548 66 A N 0.024 122.925 122.820 0.135 0.000 2.546 66 A HA -0.083 nan 4.320 nan 0.000 0.243 66 A C -0.230 177.421 177.584 0.110 0.000 1.063 66 A CA 0.429 52.531 52.037 0.109 0.000 0.757 66 A CB 0.684 19.747 19.000 0.106 0.000 0.991 66 A HN -0.468 7.755 8.150 0.162 0.024 0.503 67 K N 2.604 123.053 120.400 0.082 0.000 2.062 67 K HA -0.236 nan 4.320 nan 0.000 0.205 67 K C -0.567 176.081 176.600 0.081 0.000 1.051 67 K CA 2.105 58.435 56.287 0.072 0.000 0.941 67 K CB 0.387 32.918 32.500 0.051 0.000 0.719 67 K HN 0.080 8.651 8.250 0.070 -0.279 0.440 68 D N -6.456 113.999 120.400 0.092 0.000 2.636 68 D HA 0.082 nan 4.640 nan 0.000 0.275 68 D C -0.378 176.013 176.300 0.151 0.000 1.130 68 D CA -1.335 52.735 54.000 0.116 0.000 1.031 68 D CB 0.922 41.783 40.800 0.103 0.000 1.451 68 D HN -0.717 7.705 8.370 0.087 0.000 0.505 69 F N 0.166 120.148 119.950 0.053 0.000 2.134 69 F HA -0.357 nan 4.527 nan 0.000 0.299 69 F C 0.549 176.445 175.800 0.158 0.000 1.097 69 F CA 3.873 61.911 58.000 0.063 0.000 1.264 69 F CB 0.483 39.472 39.000 -0.018 0.000 1.001 69 F HN -0.154 8.385 8.300 0.281 -0.070 0.479 70 N N -2.312 116.502 118.700 0.190 0.000 2.120 70 N HA -0.324 nan 4.740 nan 0.000 0.188 70 N C 2.433 177.976 175.510 0.055 0.000 1.024 70 N CA 3.266 56.389 53.050 0.122 0.000 0.852 70 N CB -1.246 37.311 38.487 0.115 0.000 1.003 70 N HN 0.059 8.556 8.380 0.222 0.016 0.424 71 D N 0.464 120.899 120.400 0.058 0.000 2.144 71 D HA -0.229 nan 4.640 nan 0.000 0.199 71 D C 1.757 178.076 176.300 0.031 0.000 0.984 71 D CA 2.647 56.677 54.000 0.050 0.000 0.834 71 D CB -0.140 40.690 40.800 0.050 0.000 0.955 71 D HN -0.040 8.570 8.370 0.077 -0.194 0.465 72 F N 1.575 121.411 119.950 -0.190 0.000 2.102 72 F HA -0.336 nan 4.527 nan 0.000 0.298 72 F C 1.688 177.299 175.800 -0.316 0.000 1.105 72 F CA 3.430 61.253 58.000 -0.295 0.000 1.239 72 F CB 0.295 38.963 39.000 -0.553 0.000 0.991 72 F HN -0.126 8.157 8.300 0.086 0.069 0.474 73 I N -2.146 118.296 120.570 -0.214 0.000 2.226 73 I HA -0.556 nan 4.170 nan 0.000 0.245 73 I C 1.947 177.962 176.117 -0.169 0.000 1.100 73 I CA 2.573 63.755 61.300 -0.196 0.000 1.374 73 I CB -1.743 36.231 38.000 -0.045 0.000 1.057 73 I HN 0.133 8.147 8.210 -0.178 0.090 0.413 74 H N 1.473 120.457 119.070 -0.143 0.000 2.293 74 H HA -0.315 nan 4.556 nan 0.000 0.300 74 H C 2.248 177.511 175.328 -0.107 0.000 1.082 74 H CA 4.530 60.524 56.048 -0.091 0.000 1.308 74 H CB 0.347 30.079 29.762 -0.049 0.000 1.375 74 H HN -0.367 7.865 8.280 0.052 0.079 0.495 75 L N -1.756 119.441 121.223 -0.044 0.000 2.083 75 L HA -0.282 nan 4.340 nan 0.000 0.209 75 L C 1.561 178.358 176.870 -0.122 0.000 1.083 75 L CA 3.167 57.970 54.840 -0.061 0.000 0.752 75 L CB -0.691 41.357 42.059 -0.017 0.000 0.899 75 L HN -0.151 8.073 8.230 -0.009 0.000 0.433 76 C N -0.872 118.242 119.300 -0.311 0.000 2.432 76 C HA -0.422 nan 4.460 nan 0.000 0.277 76 C C 2.328 177.216 174.990 -0.170 0.000 1.249 76 C CA 3.819 62.618 59.018 -0.364 0.000 1.725 76 C CB -1.932 25.390 27.740 -0.695 0.000 2.028 76 C HN -0.249 7.707 8.230 -0.436 0.013 0.477 77 E N -0.013 120.059 120.200 -0.213 0.000 2.038 77 E HA -0.426 nan 4.350 nan 0.000 0.195 77 E C 2.733 179.265 176.600 -0.112 0.000 1.000 77 E CA 3.246 59.551 56.400 -0.158 0.000 0.803 77 E CB -0.291 29.296 29.700 -0.189 0.000 0.750 77 E HN 0.178 8.190 8.360 -0.263 0.190 0.448 78 Q N -0.595 119.093 119.800 -0.187 0.000 2.020 78 Q HA -0.254 nan 4.340 nan 0.000 0.202 78 Q C 2.545 178.516 176.000 -0.048 0.000 0.982 78 Q CA 2.898 58.614 55.803 -0.145 0.000 0.838 78 Q CB 0.179 28.803 28.738 -0.190 0.000 0.899 78 Q HN -0.284 7.812 8.270 -0.290 0.000 0.423 79 A N -3.633 119.192 122.820 0.008 0.000 2.235 79 A HA -0.067 nan 4.320 nan 0.000 0.208 79 A C 0.490 178.016 177.584 -0.097 0.000 1.172 79 A CA 1.289 53.252 52.037 -0.123 0.000 0.786 79 A CB -0.562 18.258 19.000 -0.301 0.000 0.804 79 A HN -0.369 7.821 8.150 0.066 0.000 0.479 80 R N -2.356 118.304 120.500 0.267 0.000 2.334 80 R HA -0.064 nan 4.340 nan 0.000 0.220 80 R C 0.722 177.097 176.300 0.126 0.000 0.917 80 R CA 1.014 57.327 56.100 0.355 0.000 1.073 80 R CB -0.174 30.359 30.300 0.389 0.000 1.056 80 R HN -0.487 7.887 8.270 0.244 0.043 0.506 81 Q N -2.306 117.521 119.800 0.045 0.000 2.200 81 Q HA -0.162 nan 4.340 nan 0.000 0.197 81 Q C 0.801 176.795 176.000 -0.010 0.000 0.953 81 Q CA 2.206 58.020 55.803 0.017 0.000 0.851 81 Q CB 0.776 29.512 28.738 -0.002 0.000 0.938 81 Q HN -0.556 7.667 8.270 0.029 0.064 0.488 82 I N -3.616 116.924 120.570 -0.051 0.000 2.296 82 I HA -0.180 nan 4.170 nan 0.000 0.242 82 I C -0.494 175.555 176.117 -0.112 0.000 1.087 82 I CA 1.497 62.752 61.300 -0.075 0.000 1.393 82 I CB 1.661 39.611 38.000 -0.084 0.000 1.093 82 I HN -0.785 7.390 8.210 -0.059 0.000 0.421 83 V N -2.123 117.659 119.914 -0.221 0.000 2.567 83 V HA 0.209 nan 4.120 nan 0.000 0.289 83 V C -0.922 175.069 176.094 -0.172 0.000 1.049 83 V CA -3.161 58.966 62.300 -0.288 0.000 0.969 83 V CB 1.318 32.794 31.823 -0.578 0.000 0.995 83 V HN -0.288 7.621 8.190 -0.263 0.123 0.471 84 N N 5.233 123.896 118.700 -0.061 0.000 2.503 84 N HA 0.038 nan 4.740 nan 0.000 0.267 84 N C 0.970 176.562 175.510 0.136 0.000 1.214 84 N CA -0.713 52.364 53.050 0.045 0.000 0.959 84 N CB 1.510 40.030 38.487 0.055 0.000 1.142 84 N HN 0.072 8.404 8.380 -0.080 0.000 0.455 85 E N 1.594 121.887 120.200 0.155 0.000 2.160 85 E HA -0.390 nan 4.350 nan 0.000 0.195 85 E C 1.700 178.448 176.600 0.246 0.000 0.991 85 E CA 3.187 59.712 56.400 0.208 0.000 0.810 85 E CB -0.703 29.113 29.700 0.194 0.000 0.742 85 E HN 0.546 8.981 8.360 0.126 0.000 0.466 86 G N -0.832 108.095 108.800 0.212 0.000 2.404 86 G HA2 -0.182 nan 3.960 nan 0.000 0.213 86 G HA3 -0.182 nan 3.960 nan 0.000 0.213 86 G C 1.142 176.127 174.900 0.142 0.000 1.189 86 G CA 1.177 46.406 45.100 0.215 0.000 0.796 86 G HN -0.032 8.542 8.290 0.184 -0.173 0.532 87 M N 1.950 121.600 119.600 0.083 0.000 2.229 87 M HA -0.263 nan 4.480 nan 0.000 0.264 87 M C 1.062 177.400 176.300 0.063 0.000 1.063 87 M CA 2.990 58.165 55.300 -0.208 0.000 1.114 87 M CB 0.237 32.839 32.600 0.005 0.000 1.387 87 M HN -0.105 8.679 8.290 0.171 -0.391 0.420 88 F N -0.480 119.472 119.950 0.002 0.000 2.234 88 F HA -0.135 nan 4.527 nan 0.000 0.296 88 F C 1.428 177.275 175.800 0.078 0.000 1.089 88 F CA 1.513 59.528 58.000 0.025 0.000 1.343 88 F CB -0.289 38.714 39.000 0.004 0.000 1.040 88 F HN 0.370 8.643 8.300 0.280 0.196 0.498 89 V N -0.168 119.878 119.914 0.220 0.000 2.546 89 V HA -0.459 nan 4.120 nan 0.000 0.254 89 V C 1.318 177.596 176.094 0.308 0.000 1.076 89 V CA 4.046 66.487 62.300 0.235 0.000 1.087 89 V CB -0.919 31.169 31.823 0.441 0.000 0.674 89 V HN 0.017 8.371 8.190 0.274 0.000 0.470 90 Y N 0.586 120.978 120.300 0.153 0.000 2.176 90 Y HA -0.337 nan 4.550 nan 0.000 0.291 90 Y C 0.902 176.932 175.900 0.216 0.000 1.122 90 Y CA 4.088 62.266 58.100 0.129 0.000 1.128 90 Y CB 0.214 38.507 38.460 -0.277 0.000 1.005 90 Y HN -0.765 7.532 8.280 0.255 0.136 0.509 91 A N -1.777 121.280 122.820 0.394 0.000 1.969 91 A HA -0.315 nan 4.320 nan 0.000 0.218 91 A C 2.228 180.001 177.584 0.314 0.000 1.169 91 A CA 2.845 55.193 52.037 0.518 0.000 0.635 91 A CB -0.608 18.699 19.000 0.512 0.000 0.810 91 A HN 0.183 8.526 8.150 0.321 0.000 0.445 92 V N -4.653 115.176 119.914 -0.140 0.000 2.244 92 V HA -0.429 nan 4.120 nan 0.000 0.244 92 V C 1.643 177.778 176.094 0.068 0.000 1.042 92 V CA 4.090 66.236 62.300 -0.257 0.000 1.006 92 V CB -1.168 30.270 31.823 -0.641 0.000 0.641 92 V HN 0.543 8.583 8.190 -0.250 0.000 0.446 93 S N 0.148 115.947 115.700 0.165 0.000 2.365 93 S HA -0.414 nan 4.470 nan 0.000 0.225 93 S C 1.811 176.512 174.600 0.169 0.000 1.039 93 S CA 4.078 62.463 58.200 0.310 0.000 1.033 93 S CB -0.117 63.303 63.200 0.368 0.000 0.887 93 S HN -0.653 7.741 8.310 0.141 0.000 0.447 94 V N -0.310 119.646 119.914 0.070 0.000 2.427 94 V HA -0.348 nan 4.120 nan 0.000 0.248 94 V C 1.633 177.830 176.094 0.172 0.000 1.051 94 V CA 3.739 66.043 62.300 0.007 0.000 1.048 94 V CB -1.053 30.565 31.823 -0.341 0.000 0.666 94 V HN -0.554 7.684 8.190 0.082 0.000 0.456 95 A N -0.399 122.532 122.820 0.184 0.000 1.855 95 A HA -0.259 nan 4.320 nan 0.000 0.215 95 A C 1.749 179.327 177.584 -0.010 0.000 1.191 95 A CA 3.413 55.528 52.037 0.131 0.000 0.613 95 A CB -0.988 18.185 19.000 0.288 0.000 0.829 95 A HN -0.419 7.739 8.150 0.197 0.110 0.442 96 V N -0.379 119.642 119.914 0.180 0.000 2.311 96 V HA -0.438 nan 4.120 nan 0.000 0.256 96 V C 1.689 177.738 176.094 -0.075 0.000 1.077 96 V CA 3.709 66.073 62.300 0.106 0.000 1.067 96 V CB -0.925 31.086 31.823 0.313 0.000 0.659 96 V HN 0.082 8.336 8.190 0.276 0.102 0.451 97 L N -3.010 118.154 121.223 -0.099 0.000 1.948 97 L HA -0.283 nan 4.340 nan 0.000 0.212 97 L C 1.382 178.116 176.870 -0.226 0.000 1.074 97 L CA 2.719 57.406 54.840 -0.255 0.000 0.753 97 L CB 0.227 41.947 42.059 -0.565 0.000 0.888 97 L HN -0.626 7.587 8.230 -0.029 0.000 0.432 98 H N -5.440 113.575 119.070 -0.091 0.000 2.544 98 H HA 0.016 nan 4.556 nan 0.000 0.269 98 H C 0.157 175.457 175.328 -0.047 0.000 0.970 98 H CA 1.355 57.423 56.048 0.033 0.000 1.219 98 H CB 0.355 30.351 29.762 0.390 0.000 1.421 98 H HN -0.480 7.722 8.280 0.022 0.091 0.555 99 R N 0.079 120.434 120.500 -0.241 0.000 2.340 99 R HA 0.066 nan 4.340 nan 0.000 0.300 99 R C 1.072 177.320 176.300 -0.086 0.000 1.069 99 R CA -1.345 54.645 56.100 -0.182 0.000 0.984 99 R CB -0.201 29.869 30.300 -0.385 0.000 1.003 99 R HN -0.927 7.107 8.270 -0.393 0.000 0.459 100 E N 5.756 125.959 120.200 0.005 0.000 2.026 100 E HA -0.475 nan 4.350 nan 0.000 0.206 100 E C 0.823 177.406 176.600 -0.029 0.000 1.028 100 E CA 3.432 59.834 56.400 0.003 0.000 0.845 100 E CB -0.366 29.353 29.700 0.032 0.000 0.772 100 E HN 0.468 8.858 8.360 0.051 0.000 0.462 101 D N -3.681 116.714 120.400 -0.009 0.000 2.403 101 D HA -0.168 nan 4.640 nan 0.000 0.227 101 D C 1.686 177.946 176.300 -0.066 0.000 0.995 101 D CA 1.315 55.303 54.000 -0.019 0.000 0.928 101 D CB -1.007 39.812 40.800 0.030 0.000 0.887 101 D HN -0.009 8.370 8.370 0.015 0.000 0.529 102 C N -0.591 118.670 119.300 -0.065 0.000 2.413 102 C HA -0.303 nan 4.460 nan 0.000 0.277 102 C C 0.944 175.771 174.990 -0.272 0.000 1.265 102 C CA 2.156 61.073 59.018 -0.169 0.000 1.752 102 C CB -1.296 26.339 27.740 -0.175 0.000 1.998 102 C HN -0.297 7.840 8.230 -0.060 0.057 0.489 103 K N 0.182 120.471 120.400 -0.186 0.000 2.569 103 K HA -0.400 nan 4.320 nan 0.000 0.280 103 K C -0.058 176.420 176.600 -0.205 0.000 0.984 103 K CA 1.746 57.931 56.287 -0.170 0.000 1.064 103 K CB 0.188 32.620 32.500 -0.113 0.000 0.866 103 K HN -0.495 7.639 8.250 -0.139 0.032 0.492 104 G N 2.796 111.481 108.800 -0.192 0.000 2.789 104 G HA2 -0.107 nan 3.960 nan 0.000 0.218 104 G HA3 -0.107 nan 3.960 nan 0.000 0.218 104 G C -1.450 173.307 174.900 -0.238 0.000 0.980 104 G CA -0.477 44.506 45.100 -0.196 0.000 0.848 104 G HN 0.037 8.219 8.290 -0.180 0.000 0.591 105 I N 1.783 122.202 120.570 -0.253 0.000 2.531 105 I HA 0.137 nan 4.170 nan 0.000 0.283 105 I C -1.687 174.257 176.117 -0.289 0.000 1.083 105 I CA -1.592 59.551 61.300 -0.261 0.000 1.071 105 I CB 1.524 39.389 38.000 -0.223 0.000 1.210 105 I HN -0.292 7.734 8.210 -0.224 0.049 0.450 106 T N 5.461 119.783 114.554 -0.387 0.000 2.902 106 T HA 0.270 nan 4.350 nan 0.000 0.280 106 T C -1.129 173.390 174.700 -0.303 0.000 0.992 106 T CA -1.112 60.739 62.100 -0.417 0.000 1.015 106 T CB 1.319 69.810 68.868 -0.628 0.000 1.044 106 T HN 0.026 8.037 8.240 -0.382 0.000 0.520 107 V N 2.423 122.148 119.914 -0.316 0.000 2.667 107 V HA 0.341 nan 4.120 nan 0.000 0.308 107 V C -1.969 173.745 176.094 -0.633 0.000 1.048 107 V CA -3.484 58.535 62.300 -0.468 0.000 0.928 107 V CB 0.658 32.265 31.823 -0.361 0.000 1.004 107 V HN 0.412 8.446 8.190 -0.260 0.000 0.444 108 P HA 0.176 nan 4.420 nan 0.000 0.269 108 P C -2.523 174.298 177.300 -0.800 0.000 1.215 108 P CA -1.406 61.040 63.100 -1.090 0.000 0.780 108 P CB -0.075 31.027 31.700 -0.997 0.000 0.898 109 P HA 0.069 nan 4.420 nan 0.000 0.268 109 P C 0.979 178.134 177.300 -0.241 0.000 1.204 109 P CA -0.398 62.469 63.100 -0.387 0.000 0.768 109 P CB 0.575 32.081 31.700 -0.323 0.000 0.842 110 I N -0.749 119.709 120.570 -0.188 0.000 2.252 110 I HA -0.460 nan 4.170 nan 0.000 0.245 110 I C 1.324 177.360 176.117 -0.136 0.000 1.102 110 I CA 3.973 65.164 61.300 -0.181 0.000 1.385 110 I CB -0.135 37.654 38.000 -0.352 0.000 1.064 110 I HN 0.329 8.477 8.210 -0.102 0.000 0.414 111 Q N 0.710 120.151 119.800 -0.599 0.000 2.084 111 Q HA -0.339 nan 4.340 nan 0.000 0.202 111 Q C 1.302 177.069 176.000 -0.389 0.000 0.978 111 Q CA 3.614 58.615 55.803 -1.337 0.000 0.844 111 Q CB -1.173 26.718 28.738 -1.411 0.000 0.898 111 Q HN 0.297 8.265 8.270 -0.504 0.000 0.426 112 E N -2.767 117.331 120.200 -0.170 0.000 2.107 112 E HA -0.208 nan 4.350 nan 0.000 0.191 112 E C 1.817 178.496 176.600 0.132 0.000 0.982 112 E CA 2.274 58.723 56.400 0.083 0.000 0.809 112 E CB -0.036 29.837 29.700 0.290 0.000 0.756 112 E HN 0.015 8.146 8.360 -0.217 0.099 0.459 113 V N -4.675 115.278 119.914 0.064 0.000 2.307 113 V HA -0.161 nan 4.120 nan 0.000 0.245 113 V C 0.655 176.495 176.094 -0.423 0.000 1.045 113 V CA 2.231 64.445 62.300 -0.143 0.000 1.024 113 V CB 0.083 31.770 31.823 -0.228 0.000 0.651 113 V HN -0.131 7.851 8.190 0.005 0.211 0.449 114 F N -1.243 118.778 119.950 0.117 0.000 2.449 114 F HA 0.610 nan 4.527 nan 0.000 0.344 114 F C -1.118 174.841 175.800 0.265 0.000 1.180 114 F CA -3.087 55.011 58.000 0.163 0.000 1.209 114 F CB 0.438 39.525 39.000 0.146 0.000 1.440 114 F HN -0.051 8.260 8.300 0.195 0.106 0.526 115 P HA -0.222 nan 4.420 nan 0.000 0.220 115 P C 0.189 177.693 177.300 0.340 0.000 1.148 115 P CA 2.571 65.843 63.100 0.286 0.000 0.803 115 P CB -0.149 31.645 31.700 0.156 0.000 0.782 116 D N -3.572 117.010 120.400 0.304 0.000 2.178 116 D HA -0.274 nan 4.640 nan 0.000 0.202 116 D C 1.518 177.960 176.300 0.237 0.000 0.974 116 D CA 2.694 56.844 54.000 0.249 0.000 0.841 116 D CB -1.032 39.904 40.800 0.227 0.000 0.953 116 D HN 0.491 9.005 8.370 0.331 0.055 0.478 117 R N -2.226 118.418 120.500 0.239 0.000 2.115 117 R HA -0.198 nan 4.340 nan 0.000 0.226 117 R C 1.469 177.630 176.300 -0.232 0.000 1.100 117 R CA 2.154 58.254 56.100 0.001 0.000 0.980 117 R CB -0.725 29.486 30.300 -0.150 0.000 0.875 117 R HN -0.482 7.982 8.270 0.354 0.018 0.445 118 F N -2.540 117.446 119.950 0.060 0.000 2.234 118 F HA -0.072 nan 4.527 nan 0.000 0.296 118 F C -0.280 175.527 175.800 0.012 0.000 1.089 118 F CA 2.256 60.257 58.000 0.001 0.000 1.343 118 F CB 0.766 39.744 39.000 -0.036 0.000 1.040 118 F HN -0.802 7.646 8.300 0.475 0.137 0.498 119 V N -7.316 112.730 119.914 0.220 0.000 2.815 119 V HA 0.462 nan 4.120 nan 0.000 0.314 119 V C -2.867 173.319 176.094 0.153 0.000 1.064 119 V CA -4.552 57.850 62.300 0.171 0.000 0.952 119 V CB 0.243 32.174 31.823 0.179 0.000 1.020 119 V HN -0.568 7.772 8.190 0.249 0.000 0.439 120 P HA 0.057 nan 4.420 nan 0.000 0.271 120 P C -0.188 177.196 177.300 0.140 0.000 1.218 120 P CA -0.412 62.775 63.100 0.145 0.000 0.780 120 P CB 0.521 32.292 31.700 0.119 0.000 0.901 121 A N 4.564 127.477 122.820 0.155 0.000 1.944 121 A HA -0.485 nan 4.320 nan 0.000 0.222 121 A C 2.162 179.813 177.584 0.111 0.000 1.237 121 A CA 3.574 55.693 52.037 0.138 0.000 0.668 121 A CB -0.585 18.509 19.000 0.157 0.000 0.830 121 A HN 0.547 8.806 8.150 0.182 0.000 0.471 122 E N -3.249 117.014 120.200 0.104 0.000 2.031 122 E HA -0.368 nan 4.350 nan 0.000 0.193 122 E C 2.175 178.825 176.600 0.083 0.000 0.994 122 E CA 3.390 59.840 56.400 0.083 0.000 0.800 122 E CB -0.466 29.274 29.700 0.067 0.000 0.752 122 E HN 0.300 8.712 8.360 0.112 0.015 0.447 123 T N 1.470 116.079 114.554 0.092 0.000 2.995 123 T HA -0.071 nan 4.350 nan 0.000 0.269 123 T C 2.519 177.275 174.700 0.095 0.000 1.091 123 T CA 2.911 65.067 62.100 0.093 0.000 1.128 123 T CB -0.705 68.227 68.868 0.107 0.000 0.891 123 T HN -0.458 7.842 8.240 0.098 0.000 0.492 124 I N 2.377 123.008 120.570 0.103 0.000 2.113 124 I HA -0.623 nan 4.170 nan 0.000 0.238 124 I C 0.929 177.094 176.117 0.080 0.000 1.070 124 I CA 4.333 65.692 61.300 0.098 0.000 1.332 124 I CB -0.420 37.646 38.000 0.110 0.000 1.044 124 I HN 0.200 8.477 8.210 0.111 0.000 0.402 125 N N -0.232 118.514 118.700 0.077 0.000 2.018 125 N HA -0.427 nan 4.740 nan 0.000 0.196 125 N C 2.257 177.802 175.510 0.058 0.000 1.043 125 N CA 3.794 56.882 53.050 0.064 0.000 0.856 125 N CB 0.149 38.675 38.487 0.063 0.000 1.042 125 N HN -0.237 8.133 8.380 0.085 0.062 0.423 126 R N -0.991 119.545 120.500 0.060 0.000 2.094 126 R HA -0.376 nan 4.340 nan 0.000 0.239 126 R C 1.982 178.315 176.300 0.055 0.000 1.137 126 R CA 3.288 59.422 56.100 0.056 0.000 0.943 126 R CB -0.316 30.018 30.300 0.057 0.000 0.850 126 R HN 0.433 8.742 8.270 0.065 0.000 0.433 127 A N -1.370 121.485 122.820 0.058 0.000 1.883 127 A HA -0.316 nan 4.320 nan 0.000 0.217 127 A C 2.362 179.977 177.584 0.051 0.000 1.186 127 A CA 3.088 55.158 52.037 0.056 0.000 0.624 127 A CB -0.907 18.129 19.000 0.061 0.000 0.822 127 A HN -0.488 7.700 8.150 0.064 0.000 0.444 128 N N -2.025 116.705 118.700 0.050 0.000 2.104 128 N HA -0.335 nan 4.740 nan 0.000 0.190 128 N C 2.226 177.757 175.510 0.035 0.000 1.024 128 N CA 2.838 55.912 53.050 0.040 0.000 0.853 128 N CB -0.560 37.950 38.487 0.040 0.000 1.008 128 N HN -0.185 8.228 8.380 0.055 0.000 0.424 129 K N 1.113 121.537 120.400 0.039 0.000 2.057 129 K HA -0.346 nan 4.320 nan 0.000 0.207 129 K C 2.137 178.763 176.600 0.043 0.000 1.049 129 K CA 3.481 59.789 56.287 0.036 0.000 0.931 129 K CB -0.001 32.523 32.500 0.039 0.000 0.714 129 K HN 0.234 8.297 8.250 0.045 0.214 0.440 130 E N -1.223 119.009 120.200 0.054 0.000 2.153 130 E HA -0.349 nan 4.350 nan 0.000 0.194 130 E C 2.291 178.931 176.600 0.067 0.000 0.988 130 E CA 2.807 59.250 56.400 0.071 0.000 0.811 130 E CB -0.252 29.486 29.700 0.064 0.000 0.746 130 E HN 0.262 8.463 8.360 0.052 0.191 0.466 131 A N -1.053 121.796 122.820 0.049 0.000 1.877 131 A HA -0.218 nan 4.320 nan 0.000 0.216 131 A C 1.485 179.086 177.584 0.028 0.000 1.186 131 A CA 3.201 55.263 52.037 0.041 0.000 0.620 131 A CB -0.555 18.462 19.000 0.030 0.000 0.822 131 A HN -0.187 7.904 8.150 0.046 0.086 0.443 132 S N -1.985 113.723 115.700 0.014 0.000 2.395 132 S HA -0.157 nan 4.470 nan 0.000 0.225 132 S C 1.693 176.275 174.600 -0.029 0.000 1.027 132 S CA 2.210 60.404 58.200 -0.009 0.000 0.965 132 S CB 0.575 63.767 63.200 -0.013 0.000 0.812 132 S HN -0.398 7.923 8.310 0.018 0.000 0.482 133 N N 1.383 120.076 118.700 -0.011 0.000 2.025 133 N HA -0.234 nan 4.740 nan 0.000 0.194 133 N C 0.068 175.431 175.510 -0.244 0.000 1.044 133 N CA 2.524 55.528 53.050 -0.077 0.000 0.851 133 N CB 0.603 39.134 38.487 0.074 0.000 1.036 133 N HN 0.037 8.202 8.380 0.026 0.231 0.422 134 H N -1.966 117.109 119.070 0.009 0.000 2.906 134 H HA 0.332 nan 4.556 nan 0.000 0.324 134 H C -2.405 172.928 175.328 0.008 0.000 0.973 134 H CA -2.276 53.777 56.048 0.008 0.000 1.321 134 H CB 1.395 31.162 29.762 0.009 0.000 1.535 134 H HN -0.601 7.768 8.280 0.147 0.000 0.518 135 P HA -0.010 nan 4.420 nan 0.000 0.271 135 P C -1.656 175.688 177.300 0.072 0.000 1.220 135 P CA -0.102 63.032 63.100 0.056 0.000 0.768 135 P CB 0.482 32.195 31.700 0.022 0.000 0.848 136 D N 2.894 123.330 120.400 0.060 0.000 2.751 136 D HA -0.023 nan 4.640 nan 0.000 0.236 136 D C -0.040 176.287 176.300 0.044 0.000 1.196 136 D CA -0.025 54.005 54.000 0.051 0.000 0.741 136 D CB 1.458 42.288 40.800 0.051 0.000 1.474 136 D HN -0.412 7.992 8.370 0.057 0.000 0.452 137 Q N 1.446 121.268 119.800 0.036 0.000 2.224 137 Q HA -0.201 nan 4.340 nan 0.000 0.203 137 Q C -0.055 175.962 176.000 0.029 0.000 0.970 137 Q CA 2.176 57.999 55.803 0.034 0.000 0.865 137 Q CB 0.249 29.002 28.738 0.025 0.000 0.922 137 Q HN 0.139 8.428 8.270 0.031 0.000 0.445 138 Q N -1.445 118.368 119.800 0.023 0.000 2.352 138 Q HA -0.241 nan 4.340 nan 0.000 0.326 138 Q C -0.882 175.129 176.000 0.017 0.000 1.135 138 Q CA 0.921 56.733 55.803 0.014 0.000 1.000 138 Q CB 0.465 29.208 28.738 0.008 0.000 1.237 138 Q HN -0.265 8.161 8.270 0.024 -0.141 0.409 139 S N 2.376 118.081 115.700 0.008 0.000 2.592 139 S HA 0.370 nan 4.470 nan 0.000 0.271 139 S C -0.737 173.870 174.600 0.012 0.000 1.326 139 S CA 0.199 58.404 58.200 0.008 0.000 1.024 139 S CB 0.821 64.019 63.200 -0.003 0.000 0.921 139 S HN 0.098 8.410 8.310 0.003 0.000 0.527 140 I N 2.477 123.057 120.570 0.017 0.000 2.474 140 I HA 0.331 nan 4.170 nan 0.000 0.294 140 I C -2.100 174.027 176.117 0.017 0.000 1.005 140 I CA -0.534 60.779 61.300 0.022 0.000 1.113 140 I CB 2.420 40.440 38.000 0.034 0.000 1.289 140 I HN 0.131 8.351 8.210 0.016 0.000 0.436 141 V N 6.673 126.596 119.914 0.015 0.000 2.656 141 V HA 0.662 nan 4.120 nan 0.000 0.307 141 V C -1.711 174.396 176.094 0.022 0.000 1.051 141 V CA -1.768 60.539 62.300 0.012 0.000 0.893 141 V CB 2.352 34.175 31.823 -0.001 0.000 0.999 141 V HN 0.132 8.332 8.190 0.017 0.000 0.426 142 V N 7.639 127.570 119.914 0.030 0.000 2.588 142 V HA 0.393 nan 4.120 nan 0.000 0.304 142 V C -1.910 174.211 176.094 0.045 0.000 1.042 142 V CA -1.207 61.118 62.300 0.042 0.000 0.877 142 V CB 3.551 35.408 31.823 0.057 0.000 0.996 142 V HN 0.604 8.811 8.190 0.029 0.000 0.425 143 E N 6.379 126.609 120.200 0.049 0.000 2.052 143 E HA 0.178 nan 4.350 nan 0.000 0.283 143 E C 0.264 176.925 176.600 0.102 0.000 1.071 143 E CA -1.057 55.381 56.400 0.063 0.000 0.851 143 E CB 0.694 30.438 29.700 0.073 0.000 1.066 143 E HN 0.476 8.865 8.360 0.048 0.000 0.396 144 A N 8.118 131.014 122.820 0.127 0.000 2.070 144 A HA -0.193 nan 4.320 nan 0.000 0.220 144 A C 0.940 178.629 177.584 0.175 0.000 1.159 144 A CA 2.550 54.680 52.037 0.155 0.000 0.656 144 A CB -0.468 18.649 19.000 0.195 0.000 0.800 144 A HN 0.814 8.936 8.150 0.115 0.097 0.453 145 E N -2.106 118.229 120.200 0.224 0.000 2.233 145 E HA -0.242 nan 4.350 nan 0.000 0.199 145 E C 0.036 176.722 176.600 0.144 0.000 1.004 145 E CA 1.099 57.639 56.400 0.233 0.000 0.819 145 E CB 0.137 30.009 29.700 0.287 0.000 0.738 145 E HN 0.095 8.558 8.360 0.240 0.041 0.478 146 E N -3.437 116.825 120.200 0.104 0.000 6.574 146 E HA -0.289 nan 4.350 nan 0.000 0.171 146 E C -1.080 175.543 176.600 0.037 0.000 1.464 146 E CA 0.843 57.280 56.400 0.061 0.000 2.498 146 E CB -0.031 29.695 29.700 0.043 0.000 1.837 146 E HN -0.247 8.141 8.360 0.111 0.039 0.466 147 T N -0.329 114.231 114.554 0.009 0.000 3.172 147 T HA 0.583 nan 4.350 nan 0.000 0.320 147 T C -1.070 173.609 174.700 -0.035 0.000 1.085 147 T CA 0.042 62.135 62.100 -0.011 0.000 1.052 147 T CB 2.008 70.873 68.868 -0.005 0.000 1.107 147 T HN 0.475 8.718 8.240 0.004 0.000 0.458 148 G N 1.784 110.543 108.800 -0.068 0.000 2.608 148 G HA2 0.098 nan 3.960 nan 0.000 0.291 148 G HA3 0.098 nan 3.960 nan 0.000 0.291 148 G C -2.330 172.501 174.900 -0.116 0.000 1.425 148 G CA 0.032 45.079 45.100 -0.088 0.000 0.787 148 G HN -0.205 8.038 8.290 -0.079 0.000 0.484 149 N N 0.007 118.647 118.700 -0.100 0.000 2.472 149 N HA 0.061 nan 4.740 nan 0.000 0.277 149 N C 0.261 175.683 175.510 -0.146 0.000 1.081 149 N CA -0.256 52.737 53.050 -0.096 0.000 0.973 149 N CB 1.012 39.467 38.487 -0.054 0.000 1.105 149 N HN -0.011 8.320 8.380 -0.082 0.000 0.470 150 I N 5.942 126.412 120.570 -0.168 0.000 2.410 150 I HA 0.039 nan 4.170 nan 0.000 0.288 150 I C 0.108 176.166 176.117 -0.098 0.000 1.106 150 I CA -0.258 60.891 61.300 -0.252 0.000 1.389 150 I CB -0.836 36.993 38.000 -0.284 0.000 1.561 150 I HN 0.313 8.451 8.210 -0.121 0.000 0.605 151 L N 2.242 123.435 121.223 -0.050 0.000 2.012 151 L HA -0.267 nan 4.340 nan 0.000 0.210 151 L C 0.615 177.508 176.870 0.038 0.000 1.073 151 L CA 2.027 56.868 54.840 0.001 0.000 0.748 151 L CB -0.625 41.443 42.059 0.015 0.000 0.891 151 L HN -0.326 7.829 8.230 -0.063 0.037 0.431 152 D N -2.248 118.197 120.400 0.075 0.000 2.264 152 D HA 0.266 nan 4.640 nan 0.000 0.250 152 D C -0.795 175.593 176.300 0.146 0.000 1.113 152 D CA -2.732 51.337 54.000 0.115 0.000 0.871 152 D CB 0.957 41.848 40.800 0.152 0.000 1.167 152 D HN -0.525 7.888 8.370 0.072 0.000 0.447 153 P HA -0.131 nan 4.420 nan 0.000 0.225 153 P C 0.646 178.025 177.300 0.132 0.000 1.148 153 P CA 1.392 64.560 63.100 0.114 0.000 0.779 153 P CB 0.268 32.010 31.700 0.070 0.000 0.780 154 E N -0.458 119.830 120.200 0.146 0.000 2.265 154 E HA -0.279 nan 4.350 nan 0.000 0.196 154 E C 1.559 178.246 176.600 0.145 0.000 0.996 154 E CA 2.224 58.705 56.400 0.136 0.000 0.832 154 E CB -0.610 29.191 29.700 0.169 0.000 0.756 154 E HN -0.325 8.356 8.360 0.150 -0.232 0.491 155 Y N 0.650 121.009 120.300 0.098 0.000 2.256 155 Y HA -0.386 nan 4.550 nan 0.000 0.288 155 Y C 1.583 177.537 175.900 0.090 0.000 1.155 155 Y CA 3.342 61.504 58.100 0.105 0.000 1.203 155 Y CB 0.059 38.571 38.460 0.088 0.000 0.980 155 Y HN -0.333 7.982 8.280 0.318 0.155 0.530 156 K N -2.156 118.336 120.400 0.153 0.000 2.103 156 K HA -0.340 nan 4.320 nan 0.000 0.207 156 K C 2.339 178.948 176.600 0.015 0.000 1.048 156 K CA 2.313 58.676 56.287 0.127 0.000 0.930 156 K CB -0.841 31.730 32.500 0.119 0.000 0.716 156 K HN -0.250 7.966 8.250 0.201 0.154 0.444 157 L N -2.300 118.838 121.223 -0.141 0.000 2.376 157 L HA -0.164 nan 4.340 nan 0.000 0.219 157 L C 1.457 178.051 176.870 -0.461 0.000 1.133 157 L CA 1.376 55.989 54.840 -0.378 0.000 0.816 157 L CB -0.842 41.086 42.059 -0.218 0.000 0.933 157 L HN -0.441 7.614 8.230 -0.066 0.136 0.449 158 S N 0.913 116.415 115.700 -0.329 0.000 2.402 158 S HA -0.397 nan 4.470 nan 0.000 0.233 158 S C 1.765 176.258 174.600 -0.178 0.000 1.030 158 S CA 3.904 61.942 58.200 -0.271 0.000 1.003 158 S CB -0.332 62.565 63.200 -0.505 0.000 0.813 158 S HN 0.084 8.005 8.310 -0.332 0.189 0.477 159 Y N -0.554 119.728 120.300 -0.030 0.000 2.181 159 Y HA -0.364 nan 4.550 nan 0.000 0.288 159 Y C 1.084 177.049 175.900 0.109 0.000 1.146 159 Y CA 1.695 59.826 58.100 0.051 0.000 1.164 159 Y CB -0.969 37.530 38.460 0.066 0.000 0.982 159 Y HN -0.780 7.387 8.280 -0.152 0.022 0.515 160 F N 0.281 119.847 119.950 -0.640 0.000 2.098 160 F HA -0.241 nan 4.527 nan 0.000 0.294 160 F C 2.348 178.082 175.800 -0.111 0.000 1.107 160 F CA 2.842 60.692 58.000 -0.250 0.000 1.234 160 F CB 0.626 39.418 39.000 -0.347 0.000 1.002 160 F HN -0.344 7.111 8.300 -1.239 0.102 0.472 161 R N -1.631 118.941 120.500 0.119 0.000 2.075 161 R HA -0.268 nan 4.340 nan 0.000 0.232 161 R C 1.842 178.087 176.300 -0.092 0.000 1.126 161 R CA 2.807 58.964 56.100 0.094 0.000 0.963 161 R CB -0.122 30.234 30.300 0.092 0.000 0.858 161 R HN -0.219 8.084 8.270 0.056 0.000 0.435 162 E N -3.769 116.387 120.200 -0.074 0.000 2.427 162 E HA -0.023 nan 4.350 nan 0.000 0.196 162 E C -0.529 176.024 176.600 -0.077 0.000 1.028 162 E CA 0.342 56.708 56.400 -0.058 0.000 0.864 162 E CB 0.346 30.045 29.700 -0.001 0.000 0.813 162 E HN -0.373 7.834 8.360 -0.063 0.115 0.514 163 D N 0.441 120.776 120.400 -0.108 0.000 2.525 163 D HA -0.152 nan 4.640 nan 0.000 0.235 163 D C 0.579 176.825 176.300 -0.091 0.000 1.137 163 D CA 0.818 54.770 54.000 -0.080 0.000 0.868 163 D CB 0.911 41.658 40.800 -0.088 0.000 1.180 163 D HN -0.910 7.204 8.370 -0.149 0.168 0.465 164 I N 6.205 126.731 120.570 -0.073 0.000 2.252 164 I HA -0.227 nan 4.170 nan 0.000 0.245 164 I C 1.054 177.218 176.117 0.078 0.000 1.102 164 I CA 2.946 64.281 61.300 0.059 0.000 1.385 164 I CB 0.502 38.405 38.000 -0.161 0.000 1.064 164 I HN 0.424 8.549 8.210 -0.142 0.000 0.414 165 G N -0.904 107.893 108.800 -0.005 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 1.389 176.202 174.900 -0.146 0.000 1.158 165 G CA 2.245 47.328 45.100 -0.029 0.000 0.771 165 G HN -0.226 8.264 8.290 0.002 -0.199 0.545 166 I N 2.159 122.534 120.570 -0.325 0.000 2.179 166 I HA -0.459 nan 4.170 nan 0.000 0.242 166 I C 1.772 177.772 176.117 -0.195 0.000 1.088 166 I CA 2.663 63.641 61.300 -0.536 0.000 1.357 166 I CB -1.034 36.550 38.000 -0.693 0.000 1.051 166 I HN -0.359 7.939 8.210 -0.281 -0.256 0.409 167 N N -0.070 118.578 118.700 -0.086 0.000 2.120 167 N HA -0.292 nan 4.740 nan 0.000 0.188 167 N C 2.196 177.818 175.510 0.186 0.000 1.024 167 N CA 3.475 56.530 53.050 0.008 0.000 0.852 167 N CB -0.363 38.057 38.487 -0.111 0.000 1.003 167 N HN -0.589 7.719 8.380 -0.120 0.000 0.424 168 A N 0.014 122.989 122.820 0.258 0.000 1.902 168 A HA -0.271 nan 4.320 nan 0.000 0.217 168 A C 1.850 179.598 177.584 0.273 0.000 1.181 168 A CA 3.055 55.243 52.037 0.252 0.000 0.623 168 A CB -0.730 18.418 19.000 0.248 0.000 0.818 168 A HN -0.165 8.013 8.150 0.223 0.105 0.443 169 H N 0.170 119.381 119.070 0.235 0.000 2.321 169 H HA -0.405 nan 4.556 nan 0.000 0.300 169 H C 1.806 177.372 175.328 0.397 0.000 1.087 169 H CA 3.990 60.238 56.048 0.333 0.000 1.319 169 H CB 0.093 29.939 29.762 0.139 0.000 1.379 169 H HN -0.082 8.368 8.280 0.283 0.000 0.501 170 H N -0.414 118.798 119.070 0.236 0.000 2.387 170 H HA -0.363 nan 4.556 nan 0.000 0.299 170 H C 2.547 178.100 175.328 0.375 0.000 1.090 170 H CA 3.184 59.379 56.048 0.246 0.000 1.332 170 H CB 0.350 30.234 29.762 0.203 0.000 1.386 170 H HN -0.453 8.076 8.280 0.414 0.000 0.516 171 W N 0.391 121.755 121.300 0.107 0.000 2.355 171 W HA -0.414 nan 4.660 nan 0.000 0.309 171 W C 1.602 178.121 176.519 -0.000 0.000 1.206 171 W CA 4.145 61.499 57.345 0.014 0.000 1.284 171 W CB -0.329 29.050 29.460 -0.135 0.000 1.145 171 W HN -0.191 8.256 8.180 0.444 0.000 0.502 172 H N -2.470 116.800 119.070 0.335 0.000 2.353 172 H HA -0.362 nan 4.556 nan 0.000 0.300 172 H C 2.198 177.547 175.328 0.034 0.000 1.090 172 H CA 4.246 60.394 56.048 0.167 0.000 1.327 172 H CB -0.275 29.581 29.762 0.157 0.000 1.383 172 H HN -0.315 7.966 8.280 0.133 0.079 0.508 173 W N 0.328 121.582 121.300 -0.077 0.000 2.358 173 W HA -0.456 nan 4.660 nan 0.000 0.303 173 W C 1.779 178.273 176.519 -0.042 0.000 1.208 173 W CA 4.912 62.192 57.345 -0.107 0.000 1.274 173 W CB -0.127 29.167 29.460 -0.276 0.000 1.138 173 W HN 0.508 8.785 8.180 0.163 0.000 0.515 174 H N -3.468 115.786 119.070 0.306 0.000 2.421 174 H HA -0.258 nan 4.556 nan 0.000 0.298 174 H C 2.128 177.431 175.328 -0.041 0.000 1.087 174 H CA 3.846 60.019 56.048 0.208 0.000 1.330 174 H CB -0.153 29.658 29.762 0.083 0.000 1.388 174 H HN -0.716 7.753 8.280 0.316 0.000 0.526 175 I N -1.681 118.856 120.570 -0.055 0.000 2.252 175 I HA -0.286 nan 4.170 nan 0.000 0.245 175 I C 1.327 177.401 176.117 -0.072 0.000 1.102 175 I CA 2.273 63.509 61.300 -0.107 0.000 1.385 175 I CB 0.064 37.972 38.000 -0.152 0.000 1.064 175 I HN -0.789 7.256 8.210 -0.079 0.117 0.414 176 V N -5.120 114.671 119.914 -0.205 0.000 2.427 176 V HA -0.194 nan 4.120 nan 0.000 0.248 176 V C 0.863 176.521 176.094 -0.728 0.000 1.051 176 V CA 2.785 64.848 62.300 -0.395 0.000 1.048 176 V CB -0.321 31.200 31.823 -0.504 0.000 0.666 176 V HN -0.499 7.515 8.190 -0.175 0.071 0.456 177 Y N -1.169 118.786 120.300 -0.574 0.000 2.842 177 Y HA 0.413 nan 4.550 nan 0.000 0.334 177 Y C -2.329 173.428 175.900 -0.239 0.000 1.019 177 Y CA -2.998 54.767 58.100 -0.559 0.000 1.258 177 Y CB -0.124 37.823 38.460 -0.854 0.000 1.106 177 Y HN -0.272 7.704 8.280 -0.505 0.000 0.545 178 P HA 0.076 nan 4.420 nan 0.000 0.278 178 P C -0.319 177.141 177.300 0.268 0.000 1.238 178 P CA -0.757 62.478 63.100 0.225 0.000 0.794 178 P CB 0.428 32.301 31.700 0.289 0.000 0.955 179 A N 3.605 126.581 122.820 0.260 0.000 1.930 179 A HA -0.211 nan 4.320 nan 0.000 0.217 179 A C 0.994 178.689 177.584 0.185 0.000 1.175 179 A CA 3.157 55.308 52.037 0.190 0.000 0.627 179 A CB -0.489 18.588 19.000 0.128 0.000 0.815 179 A HN 0.578 8.894 8.150 0.277 0.000 0.443 180 T N -6.000 108.687 114.554 0.222 0.000 3.035 180 T HA -0.215 nan 4.350 nan 0.000 0.268 180 T C 0.773 175.597 174.700 0.206 0.000 1.109 180 T CA 0.133 62.346 62.100 0.189 0.000 1.119 180 T CB -0.504 68.490 68.868 0.210 0.000 0.900 180 T HN -0.055 8.322 8.240 0.261 0.019 0.503 181 W N 3.349 124.687 121.300 0.064 0.000 2.513 181 W HA -0.387 nan 4.660 nan 0.000 0.339 181 W C -1.759 174.754 176.519 -0.010 0.000 1.257 181 W CA 1.273 58.614 57.345 -0.007 0.000 1.280 181 W CB -0.167 29.269 29.460 -0.039 0.000 1.214 181 W HN -0.751 7.477 8.180 0.409 0.198 0.567 182 N N 8.034 126.452 118.700 -0.469 0.000 2.479 182 N HA 0.341 nan 4.740 nan 0.000 0.261 182 N C -1.659 173.523 175.510 -0.547 0.000 0.979 182 N CA -3.080 49.772 53.050 -0.329 0.000 0.930 182 N CB 1.986 40.329 38.487 -0.240 0.000 1.172 182 N HN -0.059 7.873 8.380 -0.746 0.000 0.499 183 P HA -0.058 nan 4.420 nan 0.000 0.221 183 P C 0.857 178.093 177.300 -0.106 0.000 1.150 183 P CA 1.754 64.801 63.100 -0.087 0.000 0.800 183 P CB 0.452 32.267 31.700 0.191 0.000 0.787 184 T N -4.957 109.540 114.554 -0.096 0.000 2.737 184 T HA -0.238 nan 4.350 nan 0.000 0.265 184 T C 1.549 176.184 174.700 -0.110 0.000 1.038 184 T CA 3.032 65.091 62.100 -0.068 0.000 1.144 184 T CB -0.526 68.314 68.868 -0.047 0.000 0.866 184 T HN 0.334 8.799 8.240 -0.094 -0.281 0.434 185 V N 1.477 121.281 119.914 -0.182 0.000 2.261 185 V HA -0.283 nan 4.120 nan 0.000 0.246 185 V C 1.944 177.906 176.094 -0.220 0.000 1.047 185 V CA 2.793 64.977 62.300 -0.192 0.000 1.015 185 V CB -0.240 31.436 31.823 -0.245 0.000 0.642 185 V HN -0.492 7.783 8.190 -0.200 -0.205 0.446 186 M N -2.421 116.954 119.600 -0.375 0.000 2.132 186 M HA -0.152 nan 4.480 nan 0.000 0.263 186 M C 1.440 177.678 176.300 -0.103 0.000 1.065 186 M CA 1.421 56.527 55.300 -0.323 0.000 1.122 186 M CB 0.369 32.606 32.600 -0.604 0.000 1.365 186 M HN -0.310 7.673 8.290 -0.512 0.000 0.411 187 G N -3.199 105.556 108.800 -0.076 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 -1.634 173.310 174.900 0.074 0.000 1.058 187 G CA 0.373 45.478 45.100 0.008 0.000 0.632 187 G HN 0.133 8.139 8.290 -0.137 0.202 0.508 188 K N 0.807 121.288 120.400 0.135 0.000 2.087 188 K HA 0.165 nan 4.320 nan 0.000 0.255 188 K C -1.311 175.517 176.600 0.380 0.000 0.988 188 K CA -1.299 55.125 56.287 0.228 0.000 0.915 188 K CB 1.015 33.669 32.500 0.256 0.000 1.043 188 K HN -0.289 7.927 8.250 0.105 0.097 0.457 189 E N -0.940 119.443 120.200 0.304 0.000 2.277 189 E HA 0.212 nan 4.350 nan 0.000 0.266 189 E C -0.888 175.781 176.600 0.114 0.000 0.901 189 E CA -1.974 54.628 56.400 0.335 0.000 0.782 189 E CB 2.198 32.033 29.700 0.225 0.000 1.228 189 E HN 0.043 8.526 8.360 0.206 0.000 0.424 190 K N 1.126 121.477 120.400 -0.081 0.000 2.262 190 K HA 0.137 nan 4.320 nan 0.000 0.282 190 K C -0.666 175.951 176.600 0.030 0.000 1.066 190 K CA -1.504 54.666 56.287 -0.195 0.000 0.901 190 K CB 0.214 32.447 32.500 -0.444 0.000 1.089 190 K HN 0.387 8.622 8.250 -0.026 0.000 0.476 191 D N 4.145 124.594 120.400 0.080 0.000 2.425 191 D HA -0.079 nan 4.640 nan 0.000 0.247 191 D C 0.118 176.488 176.300 0.116 0.000 1.147 191 D CA 1.085 55.148 54.000 0.105 0.000 0.879 191 D CB 0.345 41.213 40.800 0.112 0.000 1.179 191 D HN 0.142 8.547 8.370 0.059 0.000 0.456 192 R N -0.280 120.268 120.500 0.080 0.000 3.416 192 R HA -0.506 nan 4.340 nan 0.000 0.263 192 R C 0.656 176.971 176.300 0.025 0.000 1.053 192 R CA 0.984 57.109 56.100 0.042 0.000 0.705 192 R CB -2.264 28.029 30.300 -0.012 0.000 1.124 192 R HN 0.737 9.057 8.270 0.084 0.000 0.444 193 K N -1.559 118.877 120.400 0.061 0.000 2.097 193 K HA -0.222 nan 4.320 nan 0.000 0.205 193 K C 1.670 178.319 176.600 0.082 0.000 1.050 193 K CA 2.778 59.071 56.287 0.010 0.000 0.938 193 K CB -0.636 31.955 32.500 0.152 0.000 0.718 193 K HN -0.358 7.944 8.250 0.088 0.000 0.442 194 G N -0.667 108.204 108.800 0.119 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 0.874 175.910 174.900 0.226 0.000 1.158 194 G CA 2.050 47.252 45.100 0.170 0.000 0.771 194 G HN -0.162 8.349 8.290 0.100 -0.161 0.545 195 E N 1.592 121.875 120.200 0.138 0.000 2.106 195 E HA -0.186 nan 4.350 nan 0.000 0.192 195 E C 1.891 178.597 176.600 0.177 0.000 0.984 195 E CA 2.185 58.668 56.400 0.138 0.000 0.806 195 E CB -0.249 29.473 29.700 0.037 0.000 0.750 195 E HN -0.608 7.905 8.360 0.092 -0.098 0.458 196 L N 0.027 121.307 121.223 0.095 0.000 2.083 196 L HA -0.336 nan 4.340 nan 0.000 0.209 196 L C 1.261 178.276 176.870 0.242 0.000 1.083 196 L CA 3.147 58.050 54.840 0.105 0.000 0.752 196 L CB -0.285 41.713 42.059 -0.101 0.000 0.899 196 L HN -0.037 8.140 8.230 0.037 0.075 0.433 197 F N 0.683 120.758 119.950 0.208 0.000 2.095 197 F HA -0.482 nan 4.527 nan 0.000 0.298 197 F C 1.163 176.971 175.800 0.013 0.000 1.104 197 F CA 4.164 62.289 58.000 0.207 0.000 1.232 197 F CB -0.065 39.065 39.000 0.218 0.000 0.987 197 F HN 0.214 8.679 8.300 0.414 0.083 0.475 198 F N 0.268 120.120 119.950 -0.165 0.000 2.102 198 F HA -0.484 nan 4.527 nan 0.000 0.298 198 F C 0.804 176.352 175.800 -0.420 0.000 1.105 198 F CA 3.732 61.365 58.000 -0.612 0.000 1.239 198 F CB -0.103 38.431 39.000 -0.776 0.000 0.991 198 F HN -0.476 7.940 8.300 0.334 0.083 0.474 199 Y N -0.115 119.839 120.300 -0.577 0.000 2.163 199 Y HA -0.530 nan 4.550 nan 0.000 0.288 199 Y C 1.516 177.057 175.900 -0.598 0.000 1.136 199 Y CA 3.804 61.538 58.100 -0.609 0.000 1.147 199 Y CB 0.107 38.459 38.460 -0.180 0.000 0.987 199 Y HN 0.082 8.334 8.280 0.082 0.077 0.509 200 M N -0.755 118.521 119.600 -0.541 0.000 2.086 200 M HA -0.469 nan 4.480 nan 0.000 0.261 200 M C 1.907 177.671 176.300 -0.894 0.000 1.067 200 M CA 2.731 57.570 55.300 -0.768 0.000 1.116 200 M CB -0.414 31.592 32.600 -0.990 0.000 1.348 200 M HN 0.327 8.442 8.290 -0.292 0.000 0.407 201 H N -1.639 116.933 119.070 -0.830 0.000 2.389 201 H HA -0.264 nan 4.556 nan 0.000 0.299 201 H C 2.501 177.519 175.328 -0.518 0.000 1.081 201 H CA 4.618 60.313 56.048 -0.588 0.000 1.345 201 H CB -0.335 29.103 29.762 -0.540 0.000 1.393 201 H HN -0.498 7.345 8.280 -0.727 0.000 0.520 202 Q N -0.563 118.845 119.800 -0.654 0.000 2.084 202 Q HA -0.353 nan 4.340 nan 0.000 0.202 202 Q C 2.393 178.077 176.000 -0.525 0.000 0.978 202 Q CA 3.329 58.770 55.803 -0.605 0.000 0.844 202 Q CB -0.348 27.823 28.738 -0.945 0.000 0.898 202 Q HN -0.196 7.442 8.270 -0.884 0.101 0.426 203 Q N -0.678 118.660 119.800 -0.769 0.000 2.124 203 Q HA -0.271 nan 4.340 nan 0.000 0.202 203 Q C 2.640 178.313 176.000 -0.545 0.000 0.977 203 Q CA 2.698 58.056 55.803 -0.741 0.000 0.850 203 Q CB -0.312 27.731 28.738 -1.159 0.000 0.901 203 Q HN 0.019 7.690 8.270 -0.998 0.000 0.429 204 M N -0.079 119.239 119.600 -0.470 0.000 2.117 204 M HA -0.394 nan 4.480 nan 0.000 0.262 204 M C 2.304 178.651 176.300 0.078 0.000 1.065 204 M CA 4.389 59.608 55.300 -0.136 0.000 1.114 204 M CB -0.081 32.517 32.600 -0.003 0.000 1.361 204 M HN -0.138 7.734 8.290 -0.577 0.072 0.408 205 C N -1.003 118.327 119.300 0.050 0.000 2.446 205 C HA -0.342 nan 4.460 nan 0.000 0.277 205 C C 1.829 176.846 174.990 0.045 0.000 1.275 205 C CA 4.046 63.162 59.018 0.163 0.000 1.727 205 C CB -2.107 25.705 27.740 0.120 0.000 2.010 205 C HN -0.107 8.090 8.230 -0.055 0.000 0.486 206 A N -0.033 122.739 122.820 -0.080 0.000 1.902 206 A HA -0.339 nan 4.320 nan 0.000 0.217 206 A C 1.934 179.451 177.584 -0.112 0.000 1.181 206 A CA 3.372 55.347 52.037 -0.103 0.000 0.623 206 A CB -0.952 17.965 19.000 -0.138 0.000 0.818 206 A HN 0.573 8.464 8.150 -0.146 0.171 0.443 207 R N -1.964 118.460 120.500 -0.126 0.000 2.096 207 R HA -0.352 nan 4.340 nan 0.000 0.235 207 R C 2.269 178.407 176.300 -0.270 0.000 1.127 207 R CA 3.165 59.197 56.100 -0.113 0.000 0.968 207 R CB -0.047 30.259 30.300 0.010 0.000 0.861 207 R HN 0.228 8.292 8.270 -0.152 0.116 0.440 208 Y N 1.065 121.079 120.300 -0.476 0.000 2.181 208 Y HA -0.427 nan 4.550 nan 0.000 0.288 208 Y C 1.376 176.963 175.900 -0.522 0.000 1.146 208 Y CA 3.247 60.863 58.100 -0.808 0.000 1.164 208 Y CB -0.096 37.869 38.460 -0.825 0.000 0.982 208 Y HN -0.097 8.065 8.280 -0.060 0.082 0.515 209 D N -1.696 118.532 120.400 -0.285 0.000 2.178 209 D HA -0.340 nan 4.640 nan 0.000 0.201 209 D C 2.620 178.760 176.300 -0.267 0.000 0.980 209 D CA 3.332 57.175 54.000 -0.263 0.000 0.842 209 D CB -0.834 39.897 40.800 -0.116 0.000 0.948 209 D HN 0.192 8.431 8.370 -0.104 0.068 0.472 210 S N -1.238 114.339 115.700 -0.205 0.000 2.423 210 S HA -0.245 nan 4.470 nan 0.000 0.231 210 S C 1.921 176.460 174.600 -0.101 0.000 1.014 210 S CA 3.440 61.594 58.200 -0.076 0.000 0.965 210 S CB -0.240 62.964 63.200 0.005 0.000 0.785 210 S HN -0.301 7.802 8.310 -0.197 0.089 0.495 211 E N 1.459 121.485 120.200 -0.290 0.000 2.072 211 E HA -0.258 nan 4.350 nan 0.000 0.191 211 E C 2.603 179.040 176.600 -0.272 0.000 0.985 211 E CA 2.826 59.072 56.400 -0.257 0.000 0.801 211 E CB -0.454 28.950 29.700 -0.494 0.000 0.750 211 E HN -0.508 7.454 8.360 -0.445 0.132 0.452 212 R N -0.580 119.647 120.500 -0.455 0.000 2.073 212 R HA -0.280 nan 4.340 nan 0.000 0.234 212 R C 2.728 178.922 176.300 -0.177 0.000 1.134 212 R CA 3.316 59.209 56.100 -0.345 0.000 0.952 212 R CB -0.135 29.939 30.300 -0.378 0.000 0.850 212 R HN -0.457 7.355 8.270 -0.638 0.076 0.433 213 L N -1.180 119.956 121.223 -0.144 0.000 2.083 213 L HA -0.269 nan 4.340 nan 0.000 0.209 213 L C 2.733 179.571 176.870 -0.053 0.000 1.083 213 L CA 3.120 57.906 54.840 -0.091 0.000 0.752 213 L CB -0.575 41.432 42.059 -0.086 0.000 0.899 213 L HN -0.047 8.077 8.230 -0.178 0.000 0.433 214 S N 0.604 116.308 115.700 0.006 0.000 2.382 214 S HA -0.378 nan 4.470 nan 0.000 0.228 214 S C 1.634 176.237 174.600 0.005 0.000 1.027 214 S CA 3.962 62.200 58.200 0.064 0.000 0.991 214 S CB -0.429 62.847 63.200 0.128 0.000 0.823 214 S HN -0.018 8.183 8.310 -0.007 0.105 0.469 215 N N -2.075 116.612 118.700 -0.021 0.000 2.396 215 N HA -0.229 nan 4.740 nan 0.000 0.180 215 N C 0.312 175.800 175.510 -0.038 0.000 1.028 215 N CA 1.399 54.435 53.050 -0.024 0.000 0.893 215 N CB 0.305 38.770 38.487 -0.037 0.000 0.967 215 N HN -0.228 8.023 8.380 -0.041 0.104 0.440 216 G N -2.590 106.176 108.800 -0.056 0.000 2.144 216 G HA2 -0.265 nan 3.960 nan 0.000 0.218 216 G HA3 -0.265 nan 3.960 nan 0.000 0.218 216 G C -0.758 174.110 174.900 -0.053 0.000 0.988 216 G CA -0.106 44.958 45.100 -0.060 0.000 0.659 216 G HN -0.431 7.634 8.290 -0.064 0.187 0.522 217 L N -1.053 120.132 121.223 -0.064 0.000 2.375 217 L HA 0.293 nan 4.340 nan 0.000 0.268 217 L C -0.604 176.226 176.870 -0.066 0.000 1.058 217 L CA -1.282 53.522 54.840 -0.059 0.000 0.803 217 L CB 1.861 43.877 42.059 -0.072 0.000 1.212 217 L HN 0.201 8.244 8.230 -0.078 0.139 0.451 218 Q N -2.353 117.420 119.800 -0.045 0.000 2.318 218 Q HA 0.142 nan 4.340 nan 0.000 0.222 218 Q C -0.566 175.405 176.000 -0.048 0.000 1.003 218 Q CA -0.772 55.007 55.803 -0.040 0.000 0.936 218 Q CB 1.112 29.839 28.738 -0.019 0.000 1.204 218 Q HN 0.039 8.291 8.270 -0.030 0.000 0.524 219 R N -0.802 119.673 120.500 -0.042 0.000 2.641 219 R HA -0.067 nan 4.340 nan 0.000 0.269 219 R C 0.105 176.414 176.300 0.015 0.000 1.074 219 R CA 0.068 56.147 56.100 -0.035 0.000 1.133 219 R CB 0.583 30.863 30.300 -0.033 0.000 1.029 219 R HN -0.287 8.146 8.270 -0.041 -0.187 0.488 220 M N 1.493 121.131 119.600 0.063 0.000 2.248 220 M HA -0.067 nan 4.480 nan 0.000 0.337 220 M C 0.526 176.886 176.300 0.100 0.000 1.121 220 M CA 0.264 55.639 55.300 0.125 0.000 1.155 220 M CB 0.590 33.322 32.600 0.220 0.000 1.514 220 M HN 0.082 8.590 8.290 0.058 -0.184 0.452 221 I N 3.127 123.761 120.570 0.107 0.000 2.460 221 I HA 0.436 nan 4.170 nan 0.000 0.298 221 I C -1.639 174.557 176.117 0.133 0.000 0.989 221 I CA -3.449 57.908 61.300 0.095 0.000 1.173 221 I CB 1.698 39.745 38.000 0.078 0.000 1.338 221 I HN -0.042 8.241 8.210 0.121 0.000 0.456 222 P HA -0.020 nan 4.420 nan 0.000 0.268 222 P C -0.984 176.457 177.300 0.234 0.000 1.208 222 P CA -0.495 62.725 63.100 0.200 0.000 0.777 222 P CB 0.553 32.385 31.700 0.220 0.000 0.875 223 F N 3.519 123.492 119.950 0.039 0.000 2.666 223 F HA -0.073 nan 4.527 nan 0.000 0.362 223 F C -1.116 174.510 175.800 -0.291 0.000 1.190 223 F CA -1.426 56.496 58.000 -0.130 0.000 1.328 223 F CB -1.407 37.484 39.000 -0.182 0.000 1.682 223 F HN -0.069 8.332 8.300 0.297 0.077 0.623 224 H N 2.220 121.176 119.070 -0.189 0.000 2.357 224 H HA -0.165 nan 4.556 nan 0.000 0.301 224 H C -0.501 174.690 175.328 -0.230 0.000 1.082 224 H CA 2.758 58.802 56.048 -0.007 0.000 1.342 224 H CB 0.609 30.433 29.762 0.104 0.000 1.389 224 H HN -0.192 8.079 8.280 0.092 0.065 0.511 225 N N -3.065 115.403 118.700 -0.386 0.000 2.473 225 N HA -0.055 nan 4.740 nan 0.000 0.291 225 N C -0.647 174.384 175.510 -0.799 0.000 1.083 225 N CA -0.819 52.021 53.050 -0.350 0.000 0.951 225 N CB 0.632 39.023 38.487 -0.159 0.000 1.164 225 N HN -0.444 7.685 8.380 -0.417 0.000 0.480 226 F N 1.919 121.535 119.950 -0.556 0.000 2.473 226 F HA 0.034 nan 4.527 nan 0.000 0.294 226 F C 0.825 176.506 175.800 -0.198 0.000 1.103 226 F CA 2.355 60.101 58.000 -0.423 0.000 1.442 226 F CB 0.460 39.364 39.000 -0.159 0.000 1.097 226 F HN 0.349 8.711 8.300 0.103 0.000 0.547 227 D N -1.807 118.593 120.400 -0.000 0.000 2.144 227 D HA -0.222 nan 4.640 nan 0.000 0.199 227 D C 0.576 176.883 176.300 0.011 0.000 0.984 227 D CA 2.249 56.259 54.000 0.017 0.000 0.834 227 D CB -0.255 40.548 40.800 0.004 0.000 0.955 227 D HN -0.387 8.300 8.370 -0.003 -0.319 0.465 228 E N -0.466 119.698 120.200 -0.060 0.000 2.413 228 E HA 0.025 nan 4.350 nan 0.000 0.263 228 E C -1.647 175.035 176.600 0.137 0.000 1.015 228 E CA -1.714 54.693 56.400 0.011 0.000 0.916 228 E CB -0.549 29.132 29.700 -0.032 0.000 0.947 228 E HN -0.247 7.974 8.360 -0.186 0.028 0.440 229 P HA 0.201 nan 4.420 nan 0.000 0.275 229 P C -1.775 175.635 177.300 0.183 0.000 1.228 229 P CA -0.304 62.881 63.100 0.140 0.000 0.786 229 P CB 0.691 32.436 31.700 0.076 0.000 0.927 230 L N 1.136 122.465 121.223 0.178 0.000 2.399 230 L HA 0.160 nan 4.340 nan 0.000 0.265 230 L C -0.052 176.900 176.870 0.136 0.000 1.089 230 L CA -0.540 54.377 54.840 0.128 0.000 0.802 230 L CB 0.816 42.882 42.059 0.011 0.000 1.180 230 L HN -0.254 8.093 8.230 0.195 0.000 0.454 231 E N 0.586 120.854 120.200 0.114 0.000 2.366 231 E HA -0.014 nan 4.350 nan 0.000 0.266 231 E C 0.161 176.847 176.600 0.144 0.000 1.051 231 E CA 0.075 56.550 56.400 0.124 0.000 0.884 231 E CB 0.798 30.571 29.700 0.122 0.000 1.006 231 E HN 0.194 8.609 8.360 0.091 0.000 0.417 232 G N 0.625 109.522 108.800 0.162 0.000 2.476 232 G HA2 0.288 nan 3.960 nan 0.000 0.286 232 G HA3 0.288 nan 3.960 nan 0.000 0.286 232 G C -2.109 172.928 174.900 0.228 0.000 1.177 232 G CA -0.414 44.793 45.100 0.179 0.000 0.870 232 G HN 0.015 8.392 8.290 0.145 0.000 0.528 233 Y N 1.479 121.814 120.300 0.060 0.000 2.441 233 Y HA 0.085 nan 4.550 nan 0.000 0.334 233 Y C -2.288 173.635 175.900 0.038 0.000 1.061 233 Y CA -0.227 57.910 58.100 0.060 0.000 1.032 233 Y CB 3.706 42.194 38.460 0.048 0.000 1.266 233 Y HN 0.087 8.472 8.280 0.175 0.000 0.441 234 A N 7.940 130.316 122.820 -0.739 0.000 2.291 234 A HA 0.511 nan 4.320 nan 0.000 0.311 234 A C -1.624 175.476 177.584 -0.807 0.000 1.224 234 A CA -3.545 48.140 52.037 -0.586 0.000 0.821 234 A CB 0.587 19.301 19.000 -0.476 0.000 1.172 234 A HN 0.471 8.087 8.150 -0.890 0.000 0.494 235 P HA -0.108 nan 4.420 nan 0.000 0.220 235 P C -0.761 176.597 177.300 0.096 0.000 1.152 235 P CA 1.046 64.111 63.100 -0.059 0.000 0.812 235 P CB 0.352 32.127 31.700 0.124 0.000 0.792 236 H N -5.639 113.429 119.070 -0.004 0.000 2.756 236 H HA -0.330 nan 4.556 nan 0.000 0.315 236 H C -1.586 173.796 175.328 0.091 0.000 1.210 236 H CA 0.355 56.428 56.048 0.041 0.000 1.150 236 H CB -1.881 27.900 29.762 0.032 0.000 1.463 236 H HN 0.310 8.405 8.280 -0.308 0.000 0.427 237 L N -2.896 118.451 121.223 0.207 0.000 2.346 237 L HA 0.601 nan 4.340 nan 0.000 0.274 237 L C -0.519 176.488 176.870 0.229 0.000 1.007 237 L CA -0.845 54.142 54.840 0.246 0.000 0.818 237 L CB 2.429 44.698 42.059 0.350 0.000 1.284 237 L HN -0.327 8.011 8.230 0.180 0.000 0.424 238 T N -1.580 113.081 114.554 0.179 0.000 2.940 238 T HA 0.571 nan 4.350 nan 0.000 0.288 238 T C -0.378 174.378 174.700 0.094 0.000 1.033 238 T CA -2.227 59.940 62.100 0.111 0.000 1.033 238 T CB 2.191 71.116 68.868 0.096 0.000 1.079 238 T HN 0.327 8.678 8.240 0.186 0.000 0.496 239 S N 1.706 117.420 115.700 0.023 0.000 2.498 239 S HA 0.419 nan 4.470 nan 0.000 0.324 239 S C 1.578 176.215 174.600 0.061 0.000 1.071 239 S CA -2.080 56.138 58.200 0.030 0.000 1.113 239 S CB 0.899 64.062 63.200 -0.061 0.000 0.976 239 S HN 0.440 8.653 8.310 -0.002 0.096 0.462 240 L N 3.367 124.653 121.223 0.105 0.000 2.261 240 L HA -0.210 nan 4.340 nan 0.000 0.216 240 L C 0.632 177.555 176.870 0.089 0.000 1.114 240 L CA 2.472 57.372 54.840 0.100 0.000 0.777 240 L CB -0.740 41.391 42.059 0.120 0.000 0.910 240 L HN -0.105 8.449 8.230 0.137 -0.242 0.440 241 V N -6.883 113.093 119.914 0.105 0.000 2.392 241 V HA -0.183 nan 4.120 nan 0.000 0.249 241 V C 0.553 176.691 176.094 0.073 0.000 1.059 241 V CA 1.305 63.667 62.300 0.104 0.000 1.051 241 V CB -0.107 31.794 31.823 0.130 0.000 0.658 241 V HN -0.017 8.173 8.190 0.117 0.071 0.455 242 S N -1.112 114.622 115.700 0.056 0.000 2.903 242 S HA 0.276 nan 4.470 nan 0.000 0.314 242 S C 0.165 174.785 174.600 0.034 0.000 1.177 242 S CA -0.675 57.549 58.200 0.041 0.000 0.859 242 S CB 1.277 64.497 63.200 0.033 0.000 1.265 242 S HN -0.653 7.636 8.310 0.056 0.054 0.584 243 G N -0.231 108.585 108.800 0.026 0.000 2.744 243 G HA2 0.155 nan 3.960 nan 0.000 0.211 243 G HA3 0.155 nan 3.960 nan 0.000 0.211 243 G C 0.131 175.040 174.900 0.016 0.000 1.146 243 G CA 0.144 45.259 45.100 0.025 0.000 0.787 243 G HN 0.112 8.417 8.290 0.025 0.000 0.534 244 L N 0.309 121.535 121.223 0.005 0.000 2.482 244 L HA -0.061 nan 4.340 nan 0.000 0.273 244 L C -0.763 176.078 176.870 -0.048 0.000 1.228 244 L CA 0.795 55.626 54.840 -0.016 0.000 0.827 244 L CB 0.472 42.520 42.059 -0.019 0.000 1.099 244 L HN -0.806 7.385 8.230 0.009 0.044 0.494 245 Q N -2.319 117.443 119.800 -0.063 0.000 2.605 245 Q HA 0.350 nan 4.340 nan 0.000 0.296 245 Q C -1.646 174.279 176.000 -0.124 0.000 1.056 245 Q CA -1.978 53.780 55.803 -0.075 0.000 0.778 245 Q CB 3.251 32.003 28.738 0.024 0.000 1.497 245 Q HN -0.181 8.064 8.270 -0.041 0.000 0.443 246 Y N -0.625 119.692 120.300 0.029 0.000 2.442 246 Y HA -0.279 nan 4.550 nan 0.000 0.330 246 Y C -0.424 175.480 175.900 0.006 0.000 1.129 246 Y CA 1.242 59.357 58.100 0.024 0.000 1.365 246 Y CB 0.418 38.898 38.460 0.034 0.000 1.233 246 Y HN -0.436 7.942 8.280 0.164 0.000 0.529 247 A N 5.856 128.758 122.820 0.137 0.000 2.425 247 A HA 0.060 nan 4.320 nan 0.000 0.249 247 A C -1.312 176.307 177.584 0.057 0.000 1.084 247 A CA -0.148 51.931 52.037 0.071 0.000 0.781 247 A CB 1.128 20.160 19.000 0.054 0.000 1.019 247 A HN -0.132 8.097 8.150 0.132 0.000 0.490 248 S N 0.570 116.273 115.700 0.005 0.000 2.632 248 S HA 0.268 nan 4.470 nan 0.000 0.267 248 S C -0.574 174.025 174.600 -0.001 0.000 1.276 248 S CA -0.463 57.722 58.200 -0.025 0.000 0.998 248 S CB 1.311 64.451 63.200 -0.101 0.000 0.953 248 S HN -0.126 8.181 8.310 -0.005 0.000 0.547 249 R N 1.056 121.567 120.500 0.017 0.000 2.337 249 R HA 0.556 nan 4.340 nan 0.000 0.319 249 R C -2.256 174.131 176.300 0.145 0.000 0.954 249 R CA -2.963 53.151 56.100 0.024 0.000 0.840 249 R CB 1.416 31.708 30.300 -0.013 0.000 1.164 249 R HN 0.162 8.444 8.270 0.020 0.000 0.472 250 P HA -0.119 nan 4.420 nan 0.000 0.272 250 P C -1.518 175.960 177.300 0.297 0.000 1.254 250 P CA -0.412 62.851 63.100 0.272 0.000 0.795 250 P CB 0.447 32.318 31.700 0.286 0.000 1.022 251 E N -1.496 118.787 120.200 0.139 0.000 2.418 251 E HA -0.287 nan 4.350 nan 0.000 0.261 251 E C 0.573 177.165 176.600 -0.013 0.000 1.070 251 E CA -0.348 56.106 56.400 0.091 0.000 0.931 251 E CB -0.372 29.355 29.700 0.044 0.000 0.954 251 E HN -0.151 8.266 8.360 0.095 0.000 0.439 252 G N 1.726 110.536 108.800 0.018 0.000 2.165 252 G HA2 -0.419 nan 3.960 nan 0.000 0.226 252 G HA3 -0.419 nan 3.960 nan 0.000 0.226 252 G C -1.498 173.301 174.900 -0.169 0.000 1.035 252 G CA -0.040 45.017 45.100 -0.071 0.000 0.744 252 G HN 0.190 8.545 8.290 0.107 0.000 0.501 253 Y N -0.099 120.211 120.300 0.017 0.000 2.404 253 Y HA -0.014 nan 4.550 nan 0.000 0.344 253 Y C -0.892 174.976 175.900 -0.052 0.000 0.970 253 Y CA -1.171 56.915 58.100 -0.023 0.000 1.180 253 Y CB 0.495 38.927 38.460 -0.046 0.000 1.138 253 Y HN -0.862 7.550 8.280 0.219 0.000 0.510 254 S N 2.690 118.413 115.700 0.039 0.000 2.603 254 S HA 0.018 nan 4.470 nan 0.000 0.268 254 S C -0.873 173.612 174.600 -0.192 0.000 1.317 254 S CA -0.827 57.373 58.200 0.001 0.000 1.012 254 S CB 0.854 64.072 63.200 0.029 0.000 0.926 254 S HN 0.273 8.589 8.310 0.010 0.000 0.539 255 I N 4.263 124.793 120.570 -0.068 0.000 2.474 255 I HA 0.057 nan 4.170 nan 0.000 0.287 255 I C -1.681 174.399 176.117 -0.061 0.000 1.048 255 I CA -0.810 60.443 61.300 -0.077 0.000 1.383 255 I CB 0.971 39.050 38.000 0.131 0.000 1.412 255 I HN 0.279 8.511 8.210 0.037 0.000 0.531 256 H N 6.947 126.066 119.070 0.081 0.000 2.524 256 H HA 0.254 nan 4.556 nan 0.000 0.353 256 H C -1.261 174.078 175.328 0.018 0.000 1.136 256 H CA -1.477 54.602 56.048 0.052 0.000 1.193 256 H CB 2.240 32.041 29.762 0.065 0.000 1.558 256 H HN 0.180 8.438 8.280 -0.037 0.000 0.515 257 D N 2.694 123.166 120.400 0.121 0.000 2.399 257 D HA 0.120 nan 4.640 nan 0.000 0.241 257 D C -0.829 175.488 176.300 0.029 0.000 1.133 257 D CA 0.645 54.660 54.000 0.025 0.000 0.890 257 D CB 0.653 41.443 40.800 -0.018 0.000 1.201 257 D HN 0.218 8.672 8.370 0.140 0.000 0.432 258 L N 0.308 121.529 121.223 -0.004 0.000 2.304 258 L HA 0.399 nan 4.340 nan 0.000 0.268 258 L C 0.221 177.086 176.870 -0.009 0.000 1.010 258 L CA -1.543 53.306 54.840 0.015 0.000 0.813 258 L CB 2.443 44.533 42.059 0.052 0.000 1.315 258 L HN 0.551 8.755 8.230 -0.043 0.000 0.445 259 S N 0.416 116.125 115.700 0.015 0.000 2.368 259 S HA -0.257 nan 4.470 nan 0.000 0.225 259 S C 0.836 175.441 174.600 0.009 0.000 1.030 259 S CA 3.151 61.356 58.200 0.009 0.000 0.999 259 S CB 0.213 63.431 63.200 0.029 0.000 0.844 259 S HN 1.038 9.366 8.310 0.031 0.000 0.459 260 D N -1.872 118.563 120.400 0.058 0.000 2.117 260 D HA -0.038 nan 4.640 nan 0.000 0.198 260 D C -1.064 175.135 176.300 -0.169 0.000 0.982 260 D CA 1.640 55.693 54.000 0.087 0.000 0.828 260 D CB 0.561 41.614 40.800 0.421 0.000 0.967 260 D HN 0.089 8.516 8.370 0.093 -0.001 0.464 261 V N -3.618 116.125 119.914 -0.285 0.000 3.087 261 V HA 0.225 nan 4.120 nan 0.000 0.306 261 V C -2.224 173.693 176.094 -0.295 0.000 1.187 261 V CA -2.094 59.926 62.300 -0.468 0.000 0.999 261 V CB 4.167 35.395 31.823 -0.992 0.000 1.049 261 V HN -0.682 7.319 8.190 -0.152 0.097 0.431 262 D N 1.422 121.635 120.400 -0.311 0.000 2.228 262 D HA 0.487 nan 4.640 nan 0.000 0.247 262 D C 0.927 177.059 176.300 -0.281 0.000 0.995 262 D CA -1.621 52.239 54.000 -0.234 0.000 0.903 262 D CB 2.251 42.928 40.800 -0.206 0.000 1.205 262 D HN -0.110 8.033 8.370 -0.379 0.000 0.459 263 V N 1.223 121.027 119.914 -0.183 0.000 2.407 263 V HA -0.426 nan 4.120 nan 0.000 0.248 263 V C 1.711 177.604 176.094 -0.335 0.000 1.055 263 V CA 4.525 66.715 62.300 -0.184 0.000 1.049 263 V CB -0.566 31.218 31.823 -0.066 0.000 0.662 263 V HN 0.536 8.947 8.190 -0.115 -0.290 0.455 264 Q N -1.613 118.005 119.800 -0.305 0.000 2.135 264 Q HA -0.408 nan 4.340 nan 0.000 0.204 264 Q C 1.844 177.554 176.000 -0.483 0.000 0.981 264 Q CA 3.631 59.232 55.803 -0.337 0.000 0.856 264 Q CB -0.709 27.875 28.738 -0.256 0.000 0.902 264 Q HN 0.249 8.335 8.270 -0.247 0.036 0.425 265 D N -0.526 119.503 120.400 -0.620 0.000 2.144 265 D HA -0.223 nan 4.640 nan 0.000 0.199 265 D C 2.224 177.759 176.300 -1.276 0.000 0.984 265 D CA 3.134 56.501 54.000 -1.056 0.000 0.834 265 D CB -0.620 39.389 40.800 -1.319 0.000 0.955 265 D HN -0.425 7.768 8.370 -0.520 -0.135 0.465 266 M N -0.768 118.372 119.600 -0.767 0.000 2.117 266 M HA -0.265 nan 4.480 nan 0.000 0.262 266 M C 2.296 178.384 176.300 -0.353 0.000 1.065 266 M CA 2.785 57.908 55.300 -0.295 0.000 1.114 266 M CB -0.700 31.792 32.600 -0.179 0.000 1.361 266 M HN -0.402 7.377 8.290 -0.629 0.133 0.408 267 V N -0.028 119.527 119.914 -0.598 0.000 2.295 267 V HA -0.509 nan 4.120 nan 0.000 0.246 267 V C 1.964 177.901 176.094 -0.261 0.000 1.049 267 V CA 4.604 66.610 62.300 -0.491 0.000 1.024 267 V CB -1.208 30.345 31.823 -0.451 0.000 0.648 267 V HN -0.114 7.587 8.190 -0.626 0.114 0.447 268 R N -0.814 119.489 120.500 -0.329 0.000 2.081 268 R HA -0.361 nan 4.340 nan 0.000 0.235 268 R C 1.922 178.153 176.300 -0.114 0.000 1.131 268 R CA 3.680 59.633 56.100 -0.245 0.000 0.960 268 R CB 0.009 30.105 30.300 -0.339 0.000 0.856 268 R HN -0.116 7.814 8.270 -0.451 0.070 0.436 269 W N -2.020 119.214 121.300 -0.111 0.000 2.317 269 W HA -0.288 nan 4.660 nan 0.000 0.318 269 W C 2.323 178.829 176.519 -0.021 0.000 1.227 269 W CA 2.268 59.568 57.345 -0.076 0.000 1.269 269 W CB -0.856 28.602 29.460 -0.003 0.000 1.155 269 W HN 0.133 8.084 8.180 -0.381 0.000 0.484 270 R N -1.374 119.275 120.500 0.248 0.000 2.105 270 R HA -0.425 nan 4.340 nan 0.000 0.239 270 R C 2.098 178.456 176.300 0.098 0.000 1.135 270 R CA 3.439 59.657 56.100 0.198 0.000 0.967 270 R CB -0.358 30.110 30.300 0.280 0.000 0.861 270 R HN -0.298 8.104 8.270 0.220 0.000 0.442 271 E N -1.442 118.791 120.200 0.055 0.000 2.106 271 E HA -0.254 nan 4.350 nan 0.000 0.192 271 E C 2.723 179.347 176.600 0.040 0.000 0.984 271 E CA 2.825 59.242 56.400 0.029 0.000 0.806 271 E CB -0.565 29.134 29.700 -0.002 0.000 0.750 271 E HN -0.420 7.941 8.360 0.036 0.021 0.458 272 R N -0.499 120.031 120.500 0.050 0.000 2.094 272 R HA -0.325 nan 4.340 nan 0.000 0.239 272 R C 2.665 179.048 176.300 0.138 0.000 1.137 272 R CA 3.353 59.501 56.100 0.081 0.000 0.943 272 R CB -0.174 30.076 30.300 -0.084 0.000 0.850 272 R HN -0.495 7.795 8.270 0.034 0.000 0.433 273 I N -0.635 120.000 120.570 0.109 0.000 2.179 273 I HA -0.499 nan 4.170 nan 0.000 0.242 273 I C 1.996 178.083 176.117 -0.050 0.000 1.088 273 I CA 3.857 65.164 61.300 0.013 0.000 1.357 273 I CB -0.210 37.766 38.000 -0.041 0.000 1.051 273 I HN -0.466 7.730 8.210 0.106 0.078 0.409 274 L N -2.129 119.071 121.223 -0.039 0.000 2.083 274 L HA -0.492 nan 4.340 nan 0.000 0.209 274 L C 1.964 178.799 176.870 -0.058 0.000 1.083 274 L CA 3.297 58.100 54.840 -0.061 0.000 0.752 274 L CB -0.871 41.165 42.059 -0.039 0.000 0.899 274 L HN 0.028 8.254 8.230 -0.006 0.000 0.433 275 D N -0.649 119.736 120.400 -0.024 0.000 2.117 275 D HA -0.284 nan 4.640 nan 0.000 0.198 275 D C 1.780 178.024 176.300 -0.094 0.000 0.982 275 D CA 3.756 57.735 54.000 -0.035 0.000 0.828 275 D CB 0.433 41.243 40.800 0.018 0.000 0.967 275 D HN -0.129 8.157 8.370 0.006 0.087 0.464 276 A N -0.643 122.137 122.820 -0.067 0.000 2.067 276 A HA -0.179 nan 4.320 nan 0.000 0.219 276 A C 2.133 179.587 177.584 -0.217 0.000 1.158 276 A CA 2.756 54.706 52.037 -0.144 0.000 0.661 276 A CB -0.655 18.347 19.000 0.003 0.000 0.801 276 A HN -0.044 8.002 8.150 -0.004 0.101 0.452 277 I N -1.631 118.833 120.570 -0.176 0.000 2.133 277 I HA -0.648 nan 4.170 nan 0.000 0.238 277 I C 2.590 178.442 176.117 -0.443 0.000 1.074 277 I CA 4.186 65.365 61.300 -0.200 0.000 1.342 277 I CB -0.327 37.606 38.000 -0.111 0.000 1.053 277 I HN -0.365 7.740 8.210 -0.135 0.023 0.404 278 N N 0.661 119.173 118.700 -0.314 0.000 2.036 278 N HA -0.397 nan 4.740 nan 0.000 0.195 278 N C 2.179 177.545 175.510 -0.239 0.000 1.037 278 N CA 3.393 56.280 53.050 -0.271 0.000 0.855 278 N CB -0.066 38.347 38.487 -0.124 0.000 1.033 278 N HN -0.689 7.566 8.380 -0.209 0.000 0.423 279 M N -3.814 115.642 119.600 -0.240 0.000 2.435 279 M HA -0.307 nan 4.480 nan 0.000 0.262 279 M C -0.380 175.846 176.300 -0.122 0.000 1.065 279 M CA 2.596 57.745 55.300 -0.252 0.000 1.076 279 M CB -0.029 32.161 32.600 -0.683 0.000 1.403 279 M HN 0.172 8.315 8.290 -0.244 0.000 0.454 280 H N -7.209 111.775 119.070 -0.145 0.000 3.047 280 H HA -0.410 nan 4.556 nan 0.000 0.263 280 H C -1.439 173.944 175.328 0.091 0.000 1.168 280 H CA 1.713 57.748 56.048 -0.022 0.000 1.152 280 H CB -2.622 27.134 29.762 -0.009 0.000 1.278 280 H HN -0.349 7.445 8.280 -0.459 0.211 0.339 281 Y N -7.550 112.817 120.300 0.112 0.000 2.597 281 Y HA 0.845 nan 4.550 nan 0.000 0.340 281 Y C -2.785 173.183 175.900 0.114 0.000 1.097 281 Y CA -2.558 55.608 58.100 0.110 0.000 1.037 281 Y CB 2.986 41.506 38.460 0.100 0.000 1.305 281 Y HN -0.628 7.338 8.280 -0.448 0.045 0.463 282 I N -4.513 116.272 120.570 0.358 0.000 2.846 282 I HA 0.733 nan 4.170 nan 0.000 0.307 282 I C -1.526 174.866 176.117 0.459 0.000 1.053 282 I CA -2.495 59.011 61.300 0.343 0.000 1.050 282 I CB 4.167 42.253 38.000 0.143 0.000 1.239 282 I HN 0.477 8.899 8.210 0.353 0.000 0.439 283 V N -2.402 117.820 119.914 0.514 0.000 2.427 283 V HA 0.479 nan 4.120 nan 0.000 0.286 283 V C -0.722 175.547 176.094 0.292 0.000 1.034 283 V CA -2.190 60.301 62.300 0.320 0.000 0.893 283 V CB 0.034 31.960 31.823 0.171 0.000 0.982 283 V HN 0.309 8.943 8.190 0.740 0.000 0.452 284 D N 5.268 125.775 120.400 0.179 0.000 2.433 284 D HA 0.274 nan 4.640 nan 0.000 0.255 284 D C 1.943 178.305 176.300 0.103 0.000 1.226 284 D CA -1.016 53.075 54.000 0.151 0.000 1.015 284 D CB 1.590 42.450 40.800 0.101 0.000 1.091 284 D HN 0.530 8.876 8.370 0.138 0.107 0.527 285 K N 0.607 121.061 120.400 0.090 0.000 2.097 285 K HA -0.289 nan 4.320 nan 0.000 0.206 285 K C 0.858 177.478 176.600 0.033 0.000 1.049 285 K CA 2.895 59.218 56.287 0.059 0.000 0.933 285 K CB -0.540 31.995 32.500 0.058 0.000 0.717 285 K HN 0.281 8.592 8.250 0.101 0.000 0.442 286 D N -5.398 115.022 120.400 0.034 0.000 2.350 286 D HA -0.146 nan 4.640 nan 0.000 0.216 286 D C -0.169 176.135 176.300 0.007 0.000 0.968 286 D CA 0.109 54.120 54.000 0.019 0.000 0.894 286 D CB -1.078 39.734 40.800 0.020 0.000 0.909 286 D HN -0.334 8.038 8.370 0.046 0.025 0.520 287 N N -3.083 115.622 118.700 0.009 0.000 2.901 287 N HA -0.463 nan 4.740 nan 0.000 0.248 287 N C -1.358 174.147 175.510 -0.009 0.000 1.044 287 N CA 1.227 54.271 53.050 -0.010 0.000 0.847 287 N CB -1.498 36.971 38.487 -0.029 0.000 1.127 287 N HN 0.108 8.274 8.380 0.025 0.229 0.562 288 N N -0.896 117.809 118.700 0.009 0.000 2.476 288 N HA 0.134 nan 4.740 nan 0.000 0.275 288 N C -1.307 174.212 175.510 0.015 0.000 1.190 288 N CA 0.127 53.175 53.050 -0.002 0.000 0.977 288 N CB 1.724 40.214 38.487 0.005 0.000 1.200 288 N HN 0.023 8.734 8.380 0.027 -0.316 0.515 289 K N 0.413 120.798 120.400 -0.024 0.000 2.182 289 K HA 0.664 nan 4.320 nan 0.000 0.262 289 K C -1.010 175.621 176.600 0.052 0.000 0.957 289 K CA -0.873 55.417 56.287 0.006 0.000 0.842 289 K CB 1.342 33.697 32.500 -0.241 0.000 1.099 289 K HN 0.021 8.241 8.250 -0.050 0.000 0.438 290 I N -0.775 119.876 120.570 0.135 0.000 2.474 290 I HA 0.621 nan 4.170 nan 0.000 0.294 290 I C -2.377 173.840 176.117 0.165 0.000 1.005 290 I CA -3.529 57.835 61.300 0.107 0.000 1.113 290 I CB 2.189 40.239 38.000 0.083 0.000 1.289 290 I HN 0.570 8.902 8.210 0.204 0.000 0.436 291 P HA 0.209 nan 4.420 nan 0.000 0.275 291 P C -0.974 176.448 177.300 0.203 0.000 1.228 291 P CA -0.576 62.637 63.100 0.189 0.000 0.786 291 P CB 0.316 32.104 31.700 0.147 0.000 0.927 292 L N 3.407 124.784 121.223 0.258 0.000 2.387 292 L HA -0.043 nan 4.340 nan 0.000 0.267 292 L C -0.540 176.573 176.870 0.405 0.000 1.197 292 L CA -0.703 54.341 54.840 0.339 0.000 1.070 292 L CB -1.197 41.145 42.059 0.471 0.000 1.349 292 L HN 0.350 8.641 8.230 0.269 0.101 0.422 293 D N 4.353 124.970 120.400 0.361 0.000 2.357 293 D HA 0.001 nan 4.640 nan 0.000 0.242 293 D C 1.064 177.661 176.300 0.495 0.000 1.153 293 D CA -0.598 53.628 54.000 0.376 0.000 0.918 293 D CB 2.214 43.251 40.800 0.394 0.000 1.181 293 D HN -0.401 8.116 8.370 0.301 0.033 0.435 294 I N 2.628 123.489 120.570 0.486 0.000 2.226 294 I HA -0.430 nan 4.170 nan 0.000 0.245 294 I C 1.463 177.670 176.117 0.150 0.000 1.100 294 I CA 3.501 65.094 61.300 0.488 0.000 1.374 294 I CB 0.035 38.260 38.000 0.375 0.000 1.057 294 I HN 0.147 8.590 8.210 0.388 0.000 0.413 295 E N -1.320 118.954 120.200 0.122 0.000 2.028 295 E HA -0.209 nan 4.350 nan 0.000 0.191 295 E C 1.585 178.106 176.600 -0.132 0.000 0.988 295 E CA 2.582 58.940 56.400 -0.071 0.000 0.799 295 E CB -0.148 29.418 29.700 -0.223 0.000 0.755 295 E HN 0.309 8.933 8.360 0.197 -0.146 0.447 296 H N -2.101 117.029 119.070 0.100 0.000 2.470 296 H HA -0.013 nan 4.556 nan 0.000 0.289 296 H C 1.854 177.232 175.328 0.084 0.000 1.033 296 H CA 1.588 57.688 56.048 0.086 0.000 1.331 296 H CB -0.284 29.534 29.762 0.093 0.000 1.414 296 H HN -0.053 8.363 8.280 0.226 0.000 0.545 297 G N -1.002 107.956 108.800 0.264 0.000 2.476 297 G HA2 -0.410 nan 3.960 nan 0.000 0.218 297 G HA3 -0.410 nan 3.960 nan 0.000 0.218 297 G C 0.724 175.577 174.900 -0.078 0.000 1.164 297 G CA 2.707 47.937 45.100 0.216 0.000 0.768 297 G HN 0.329 8.670 8.290 0.305 0.132 0.560 298 T N 3.314 117.836 114.554 -0.054 0.000 2.746 298 T HA -0.327 nan 4.350 nan 0.000 0.267 298 T C 1.751 176.444 174.700 -0.012 0.000 1.039 298 T CA 4.951 66.986 62.100 -0.108 0.000 1.142 298 T CB -0.539 68.267 68.868 -0.104 0.000 0.866 298 T HN -0.052 8.193 8.240 0.009 0.000 0.444 299 D N 1.926 122.342 120.400 0.027 0.000 2.097 299 D HA -0.183 nan 4.640 nan 0.000 0.195 299 D C 1.624 177.962 176.300 0.063 0.000 0.989 299 D CA 2.936 56.975 54.000 0.066 0.000 0.827 299 D CB -0.325 40.521 40.800 0.078 0.000 0.966 299 D HN -0.446 7.920 8.370 0.030 0.021 0.456 300 I N -2.715 117.882 120.570 0.045 0.000 2.226 300 I HA -0.380 nan 4.170 nan 0.000 0.245 300 I C 1.672 177.761 176.117 -0.046 0.000 1.100 300 I CA 3.363 64.673 61.300 0.016 0.000 1.374 300 I CB -0.286 37.727 38.000 0.022 0.000 1.057 300 I HN -0.512 7.734 8.210 0.060 0.000 0.413 301 L N 0.422 121.589 121.223 -0.092 0.000 2.093 301 L HA -0.213 nan 4.340 nan 0.000 0.208 301 L C 1.870 178.752 176.870 0.020 0.000 1.085 301 L CA 2.738 57.493 54.840 -0.142 0.000 0.755 301 L CB -0.656 41.248 42.059 -0.258 0.000 0.904 301 L HN -0.107 7.973 8.230 -0.103 0.088 0.435 302 G N -2.413 106.497 108.800 0.184 0.000 2.418 302 G HA2 -0.494 nan 3.960 nan 0.000 0.217 302 G HA3 -0.494 nan 3.960 nan 0.000 0.217 302 G C 0.619 175.559 174.900 0.067 0.000 1.158 302 G CA 2.615 47.897 45.100 0.304 0.000 0.771 302 G HN 0.290 8.540 8.290 0.130 0.119 0.545 303 D N 1.234 121.650 120.400 0.027 0.000 2.144 303 D HA -0.305 nan 4.640 nan 0.000 0.200 303 D C 2.373 178.640 176.300 -0.054 0.000 0.978 303 D CA 2.834 56.826 54.000 -0.013 0.000 0.833 303 D CB -0.479 40.337 40.800 0.026 0.000 0.961 303 D HN -0.276 8.124 8.370 0.050 0.000 0.470 304 I N -0.005 120.516 120.570 -0.080 0.000 2.252 304 I HA -0.359 nan 4.170 nan 0.000 0.245 304 I C 1.735 177.786 176.117 -0.111 0.000 1.102 304 I CA 3.656 64.879 61.300 -0.127 0.000 1.385 304 I CB 0.053 37.876 38.000 -0.295 0.000 1.064 304 I HN -0.716 7.447 8.210 -0.078 0.000 0.414 305 I N -0.927 119.587 120.570 -0.093 0.000 2.252 305 I HA -0.416 nan 4.170 nan 0.000 0.245 305 I C 1.085 177.204 176.117 0.003 0.000 1.102 305 I CA 1.706 62.987 61.300 -0.031 0.000 1.385 305 I CB -0.312 37.685 38.000 -0.005 0.000 1.064 305 I HN 0.008 8.169 8.210 -0.083 0.000 0.414 306 E N -0.492 119.599 120.200 -0.181 0.000 2.023 306 E HA -0.393 nan 4.350 nan 0.000 0.196 306 E C -0.909 175.661 176.600 -0.050 0.000 1.003 306 E CA 3.834 60.017 56.400 -0.362 0.000 0.809 306 E CB 0.114 29.381 29.700 -0.722 0.000 0.755 306 E HN -0.452 7.786 8.360 -0.203 0.000 0.449 307 S N -3.748 111.908 115.700 -0.073 0.000 2.638 307 S HA 0.427 nan 4.470 nan 0.000 0.298 307 S C -0.588 173.966 174.600 -0.075 0.000 1.111 307 S CA -1.854 56.285 58.200 -0.102 0.000 1.027 307 S CB 2.437 65.590 63.200 -0.078 0.000 1.064 307 S HN -0.714 7.556 8.310 -0.068 0.000 0.525 308 S N 0.444 116.115 115.700 -0.048 0.000 2.738 308 S HA 0.443 nan 4.470 nan 0.000 0.284 308 S C 1.200 175.820 174.600 0.033 0.000 1.146 308 S CA -0.901 57.307 58.200 0.014 0.000 0.997 308 S CB 2.206 65.439 63.200 0.054 0.000 1.081 308 S HN 0.611 8.769 8.310 -0.056 0.118 0.553 309 D N 1.601 122.042 120.400 0.068 0.000 2.219 309 D HA -0.141 nan 4.640 nan 0.000 0.205 309 D C 0.466 176.806 176.300 0.067 0.000 0.970 309 D CA 2.525 56.561 54.000 0.060 0.000 0.851 309 D CB -0.348 40.492 40.800 0.066 0.000 0.943 309 D HN 0.303 8.729 8.370 0.094 0.000 0.488 310 E N -2.694 117.558 120.200 0.086 0.000 2.338 310 E HA -0.117 nan 4.350 nan 0.000 0.197 310 E C -0.090 176.551 176.600 0.068 0.000 1.007 310 E CA 0.648 57.101 56.400 0.089 0.000 0.849 310 E CB 0.151 29.917 29.700 0.109 0.000 0.774 310 E HN -0.643 7.722 8.360 0.096 0.053 0.506 311 S N -1.341 114.390 115.700 0.051 0.000 2.593 311 S HA -0.248 nan 4.470 nan 0.000 0.300 311 S C 0.682 175.332 174.600 0.084 0.000 1.267 311 S CA 0.120 58.349 58.200 0.048 0.000 1.065 311 S CB 0.526 63.751 63.200 0.042 0.000 0.807 311 S HN -0.728 7.440 8.310 0.044 0.168 0.499 312 K N 4.018 124.477 120.400 0.097 0.000 2.148 312 K HA -0.246 nan 4.320 nan 0.000 0.204 312 K C -0.236 176.479 176.600 0.192 0.000 1.050 312 K CA 2.105 58.471 56.287 0.132 0.000 0.942 312 K CB 0.439 33.016 32.500 0.128 0.000 0.724 312 K HN -0.073 8.351 8.250 0.059 -0.138 0.446 313 N N -2.812 116.066 118.700 0.296 0.000 2.581 313 N HA 0.201 nan 4.740 nan 0.000 0.279 313 N C 0.468 176.141 175.510 0.272 0.000 1.124 313 N CA -0.920 52.307 53.050 0.296 0.000 0.833 313 N CB 1.487 40.178 38.487 0.340 0.000 1.338 313 N HN -0.766 7.813 8.380 0.332 0.000 0.533 314 V N 1.016 121.017 119.914 0.144 0.000 2.379 314 V HA -0.133 nan 4.120 nan 0.000 0.245 314 V C 1.154 177.284 176.094 0.059 0.000 1.044 314 V CA 2.801 65.147 62.300 0.077 0.000 1.036 314 V CB -0.545 31.305 31.823 0.046 0.000 0.664 314 V HN 0.588 8.852 8.190 0.124 0.000 0.453 315 E N 1.781 122.036 120.200 0.092 0.000 2.015 315 E HA -0.439 nan 4.350 nan 0.000 0.191 315 E C 1.797 178.485 176.600 0.146 0.000 0.991 315 E CA 2.568 59.034 56.400 0.110 0.000 0.802 315 E CB -0.633 29.128 29.700 0.102 0.000 0.759 315 E HN -0.359 8.130 8.360 0.102 -0.068 0.447 316 Y N 0.396 120.671 120.300 -0.041 0.000 2.114 316 Y HA -0.411 nan 4.550 nan 0.000 0.284 316 Y C 1.676 177.499 175.900 -0.129 0.000 1.143 316 Y CA 2.665 60.679 58.100 -0.144 0.000 1.135 316 Y CB 0.504 38.740 38.460 -0.373 0.000 0.980 316 Y HN -0.110 8.642 8.280 0.178 -0.364 0.499 317 Y N -4.502 115.728 120.300 -0.117 0.000 2.365 317 Y HA -0.225 nan 4.550 nan 0.000 0.293 317 Y C 0.517 176.121 175.900 -0.494 0.000 1.119 317 Y CA 2.449 60.383 58.100 -0.278 0.000 1.203 317 Y CB 0.624 38.990 38.460 -0.158 0.000 1.026 317 Y HN -0.782 7.481 8.280 -0.028 0.000 0.549 318 G N -2.702 105.836 108.800 -0.438 0.000 2.568 318 G HA2 -0.291 nan 3.960 nan 0.000 0.222 318 G HA3 -0.291 nan 3.960 nan 0.000 0.222 318 G C -2.288 172.227 174.900 -0.641 0.000 1.321 318 G CA -0.111 44.368 45.100 -1.036 0.000 0.893 318 G HN -0.250 7.834 8.290 -0.167 0.105 0.569 319 S N -1.908 113.385 115.700 -0.678 0.000 2.389 319 S HA 0.200 nan 4.470 nan 0.000 0.201 319 S C 0.111 174.721 174.600 0.016 0.000 1.422 319 S CA -1.505 56.559 58.200 -0.227 0.000 1.216 319 S CB 0.823 63.892 63.200 -0.218 0.000 1.130 319 S HN -0.044 7.553 8.310 -1.187 0.000 0.465 320 L N 5.989 127.286 121.223 0.124 0.000 1.994 320 L HA -0.272 nan 4.340 nan 0.000 0.208 320 L C 0.531 177.726 176.870 0.541 0.000 1.071 320 L CA 2.824 57.933 54.840 0.448 0.000 0.745 320 L CB 0.008 42.365 42.059 0.498 0.000 0.892 320 L HN 0.346 8.596 8.230 0.032 0.000 0.431 321 H N -0.363 118.946 119.070 0.398 0.000 2.293 321 H HA -0.403 nan 4.556 nan 0.000 0.300 321 H C 2.215 177.668 175.328 0.208 0.000 1.082 321 H CA 4.399 60.746 56.048 0.498 0.000 1.308 321 H CB 0.079 30.087 29.762 0.409 0.000 1.375 321 H HN -0.242 8.304 8.280 0.443 0.000 0.495 322 N N -0.851 117.977 118.700 0.213 0.000 2.120 322 N HA -0.336 nan 4.740 nan 0.000 0.188 322 N C 2.317 177.706 175.510 -0.202 0.000 1.024 322 N CA 3.011 56.087 53.050 0.042 0.000 0.852 322 N CB -0.525 37.969 38.487 0.012 0.000 1.003 322 N HN -0.236 8.315 8.380 0.286 0.000 0.424 323 W N -0.785 120.486 121.300 -0.047 0.000 2.374 323 W HA -0.205 nan 4.660 nan 0.000 0.288 323 W C 1.842 178.201 176.519 -0.266 0.000 1.218 323 W CA 2.857 60.164 57.345 -0.062 0.000 1.245 323 W CB -0.201 29.321 29.460 0.103 0.000 1.126 323 W HN -0.199 8.007 8.180 0.043 0.000 0.545 324 G N -2.001 106.575 108.800 -0.373 0.000 2.418 324 G HA2 -0.431 nan 3.960 nan 0.000 0.217 324 G HA3 -0.431 nan 3.960 nan 0.000 0.217 324 G C 0.994 175.288 174.900 -1.011 0.000 1.158 324 G CA 2.237 46.658 45.100 -1.132 0.000 0.771 324 G HN 0.194 8.268 8.290 -0.215 0.086 0.545 325 H N 2.286 120.776 119.070 -0.967 0.000 2.353 325 H HA -0.213 nan 4.556 nan 0.000 0.300 325 H C 2.552 177.646 175.328 -0.391 0.000 1.090 325 H CA 3.970 59.542 56.048 -0.793 0.000 1.327 325 H CB 0.123 29.133 29.762 -1.254 0.000 1.383 325 H HN -0.626 7.083 8.280 -0.751 0.120 0.508 326 V N 0.142 119.998 119.914 -0.098 0.000 2.295 326 V HA -0.456 nan 4.120 nan 0.000 0.246 326 V C 2.117 178.223 176.094 0.020 0.000 1.049 326 V CA 4.687 67.017 62.300 0.048 0.000 1.024 326 V CB -0.749 31.208 31.823 0.223 0.000 0.648 326 V HN -0.325 7.674 8.190 -0.132 0.112 0.447 327 M N -2.331 117.262 119.600 -0.013 0.000 2.117 327 M HA -0.335 nan 4.480 nan 0.000 0.262 327 M C 1.810 178.024 176.300 -0.143 0.000 1.065 327 M CA 3.565 58.840 55.300 -0.041 0.000 1.114 327 M CB -0.007 32.564 32.600 -0.047 0.000 1.361 327 M HN 0.057 8.227 8.290 -0.023 0.106 0.408 328 M N -2.100 117.333 119.600 -0.278 0.000 2.175 328 M HA -0.169 nan 4.480 nan 0.000 0.264 328 M C 2.670 178.849 176.300 -0.203 0.000 1.063 328 M CA 2.645 57.758 55.300 -0.312 0.000 1.119 328 M CB 0.460 32.786 32.600 -0.457 0.000 1.377 328 M HN -0.388 7.684 8.290 -0.364 0.000 0.415 329 A N -1.206 121.530 122.820 -0.140 0.000 1.933 329 A HA -0.241 nan 4.320 nan 0.000 0.218 329 A C 0.669 178.223 177.584 -0.050 0.000 1.175 329 A CA 2.877 54.878 52.037 -0.060 0.000 0.628 329 A CB -0.291 18.707 19.000 -0.004 0.000 0.814 329 A HN 0.241 8.207 8.150 -0.155 0.090 0.444 330 N N -4.205 114.465 118.700 -0.051 0.000 2.538 330 N HA 0.065 nan 4.740 nan 0.000 0.291 330 N C 0.153 175.639 175.510 -0.041 0.000 1.323 330 N CA -1.753 51.276 53.050 -0.035 0.000 0.934 330 N CB -0.835 37.636 38.487 -0.026 0.000 1.255 330 N HN -0.449 7.901 8.380 -0.050 0.000 0.509 331 I N 0.939 121.437 120.570 -0.121 0.000 2.286 331 I HA -0.337 nan 4.170 nan 0.000 0.248 331 I C 0.320 176.326 176.117 -0.185 0.000 1.115 331 I CA 2.508 63.694 61.300 -0.190 0.000 1.392 331 I CB 0.131 37.899 38.000 -0.387 0.000 1.065 331 I HN -0.737 7.302 8.210 -0.142 0.086 0.418 332 T N -1.515 112.923 114.554 -0.193 0.000 2.788 332 T HA -0.245 nan 4.350 nan 0.000 0.268 332 T C -0.369 174.428 174.700 0.161 0.000 1.044 332 T CA 2.621 64.680 62.100 -0.069 0.000 1.139 332 T CB -0.168 68.685 68.868 -0.025 0.000 0.867 332 T HN 0.103 8.212 8.240 -0.162 0.034 0.454 333 D N -1.225 119.264 120.400 0.148 0.000 2.621 333 D HA 0.459 nan 4.640 nan 0.000 0.274 333 D C -1.055 175.308 176.300 0.106 0.000 1.215 333 D CA -3.202 50.923 54.000 0.209 0.000 0.810 333 D CB 0.449 41.418 40.800 0.281 0.000 1.248 333 D HN -0.849 7.471 8.370 0.075 0.095 0.517 334 P HA -0.249 nan 4.420 nan 0.000 0.215 334 P C 0.437 177.756 177.300 0.033 0.000 1.153 334 P CA 1.798 64.940 63.100 0.070 0.000 0.853 334 P CB 0.563 32.337 31.700 0.123 0.000 0.788 335 D N -4.053 116.336 120.400 -0.018 0.000 2.249 335 D HA -0.216 nan 4.640 nan 0.000 0.205 335 D C 0.295 176.599 176.300 0.007 0.000 0.962 335 D CA 0.502 54.470 54.000 -0.053 0.000 0.860 335 D CB 0.631 41.334 40.800 -0.161 0.000 0.955 335 D HN -0.396 8.012 8.370 -0.048 -0.066 0.505 336 H N -3.015 115.978 119.070 -0.129 0.000 3.237 336 H HA -0.283 nan 4.556 nan 0.000 0.231 336 H C -0.232 175.008 175.328 -0.146 0.000 1.148 336 H CA 0.919 56.909 56.048 -0.096 0.000 1.155 336 H CB -1.368 28.370 29.762 -0.040 0.000 1.210 336 H HN -0.362 8.103 8.280 0.019 -0.174 0.317 337 R N -2.258 118.068 120.500 -0.290 0.000 2.103 337 R HA -0.242 nan 4.340 nan 0.000 0.242 337 R C 0.565 176.689 176.300 -0.294 0.000 1.142 337 R CA 2.669 58.540 56.100 -0.382 0.000 0.960 337 R CB -0.685 29.304 30.300 -0.518 0.000 0.858 337 R HN -0.208 7.932 8.270 -0.300 -0.051 0.439 338 F N -1.647 118.293 119.950 -0.017 0.000 2.710 338 F HA 0.002 nan 4.527 nan 0.000 0.298 338 F C -0.133 175.651 175.800 -0.026 0.000 1.137 338 F CA -0.518 57.477 58.000 -0.008 0.000 1.444 338 F CB -0.107 38.912 39.000 0.032 0.000 1.111 338 F HN -0.905 7.481 8.300 -0.472 -0.368 0.580 339 Q N -3.933 115.891 119.800 0.041 0.000 2.457 339 Q HA -0.440 nan 4.340 nan 0.000 0.333 339 Q C -1.371 174.729 176.000 0.167 0.000 1.448 339 Q CA 0.948 56.734 55.803 -0.029 0.000 0.891 339 Q CB -2.055 26.602 28.738 -0.134 0.000 1.142 339 Q HN -0.332 8.009 8.270 -0.044 -0.097 0.375 340 E N -1.500 118.863 120.200 0.272 0.000 2.277 340 E HA 0.243 nan 4.350 nan 0.000 0.266 340 E C -1.277 175.414 176.600 0.152 0.000 0.901 340 E CA -1.231 55.276 56.400 0.180 0.000 0.782 340 E CB 2.884 32.682 29.700 0.163 0.000 1.228 340 E HN -0.404 8.182 8.360 0.377 0.000 0.424 341 N N 1.890 120.636 118.700 0.076 0.000 2.467 341 N HA 0.333 nan 4.740 nan 0.000 0.262 341 N C -1.701 173.831 175.510 0.036 0.000 1.234 341 N CA -1.719 51.347 53.050 0.027 0.000 0.952 341 N CB -0.446 38.010 38.487 -0.051 0.000 1.158 341 N HN 0.284 8.700 8.380 0.060 0.000 0.463 342 P HA 0.025 nan 4.420 nan 0.000 0.274 342 P C -0.780 176.627 177.300 0.179 0.000 1.256 342 P CA -0.429 62.710 63.100 0.065 0.000 0.795 342 P CB 0.878 32.600 31.700 0.036 0.000 1.038 343 G N -1.279 107.613 108.800 0.153 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 0.550 175.562 174.900 0.186 0.000 1.350 343 G CA -1.612 43.600 45.100 0.188 0.000 1.039 343 G HN -0.269 7.959 8.290 0.076 0.107 0.509 344 V N -5.628 114.275 119.914 -0.020 0.000 2.720 344 V HA -0.330 nan 4.120 nan 0.000 0.256 344 V C 1.852 177.923 176.094 -0.038 0.000 1.082 344 V CA 2.821 64.969 62.300 -0.253 0.000 1.101 344 V CB -0.414 31.268 31.823 -0.235 0.000 0.693 344 V HN 0.549 8.753 8.190 0.025 0.000 0.479 345 M N 0.511 120.139 119.600 0.048 0.000 2.279 345 M HA -0.305 nan 4.480 nan 0.000 0.264 345 M C 1.604 178.064 176.300 0.266 0.000 1.062 345 M CA 2.227 57.611 55.300 0.139 0.000 1.099 345 M CB -0.937 31.660 32.600 -0.005 0.000 1.394 345 M HN -0.267 7.985 8.290 0.029 0.056 0.426 346 S N -0.611 115.205 115.700 0.194 0.000 2.447 346 S HA -0.282 nan 4.470 nan 0.000 0.233 346 S C -0.743 173.985 174.600 0.213 0.000 1.006 346 S CA 3.432 61.753 58.200 0.203 0.000 0.957 346 S CB 0.165 63.438 63.200 0.122 0.000 0.773 346 S HN -0.560 7.795 8.310 0.143 0.040 0.507 347 D N -2.545 117.987 120.400 0.221 0.000 2.350 347 D HA 0.341 nan 4.640 nan 0.000 0.245 347 D C -0.386 176.078 176.300 0.273 0.000 1.036 347 D CA -1.124 53.007 54.000 0.218 0.000 0.848 347 D CB 2.941 43.879 40.800 0.231 0.000 1.307 347 D HN -0.653 7.689 8.370 0.186 0.139 0.469 348 T N 4.041 118.755 114.554 0.268 0.000 2.915 348 T HA -0.079 nan 4.350 nan 0.000 0.269 348 T C 2.197 177.219 174.700 0.536 0.000 1.071 348 T CA 3.658 65.993 62.100 0.391 0.000 1.132 348 T CB -0.228 68.647 68.868 0.011 0.000 0.878 348 T HN 0.361 8.745 8.240 0.240 0.000 0.479 349 S N 1.494 117.466 115.700 0.453 0.000 2.371 349 S HA -0.178 nan 4.470 nan 0.000 0.224 349 S C 0.973 175.544 174.600 -0.049 0.000 1.029 349 S CA 3.584 61.909 58.200 0.208 0.000 0.978 349 S CB 0.023 63.229 63.200 0.009 0.000 0.833 349 S HN -0.256 8.636 8.310 0.521 -0.269 0.466 350 T N -5.161 109.345 114.554 -0.079 0.000 3.035 350 T HA 0.228 nan 4.350 nan 0.000 0.259 350 T C 2.392 176.996 174.700 -0.159 0.000 1.078 350 T CA 1.332 63.303 62.100 -0.215 0.000 1.132 350 T CB -0.070 68.555 68.868 -0.406 0.000 0.900 350 T HN -0.144 8.102 8.240 0.009 0.000 0.480 351 S N 4.308 119.993 115.700 -0.026 0.000 2.400 351 S HA -0.342 nan 4.470 nan 0.000 0.232 351 S C 2.076 176.527 174.600 -0.249 0.000 1.025 351 S CA 3.598 61.814 58.200 0.027 0.000 0.993 351 S CB -1.141 62.294 63.200 0.391 0.000 0.808 351 S HN 0.158 8.523 8.310 0.092 0.000 0.478 352 L N 1.682 122.588 121.223 -0.529 0.000 2.201 352 L HA -0.222 nan 4.340 nan 0.000 0.212 352 L C 1.684 178.300 176.870 -0.422 0.000 1.105 352 L CA 2.147 56.501 54.840 -0.810 0.000 0.775 352 L CB -0.764 40.902 42.059 -0.654 0.000 0.913 352 L HN -0.328 7.634 8.230 -0.392 0.032 0.440 353 R N -2.820 117.502 120.500 -0.298 0.000 2.092 353 R HA -0.278 nan 4.340 nan 0.000 0.231 353 R C 0.022 176.042 176.300 -0.466 0.000 1.119 353 R CA 2.177 58.125 56.100 -0.253 0.000 0.970 353 R CB -0.335 29.879 30.300 -0.143 0.000 0.864 353 R HN -0.122 7.940 8.270 -0.281 0.039 0.440 354 D N 0.713 120.826 120.400 -0.478 0.000 2.351 354 D HA 0.268 nan 4.640 nan 0.000 0.251 354 D C -0.782 175.343 176.300 -0.292 0.000 1.137 354 D CA -2.633 51.004 54.000 -0.604 0.000 0.879 354 D CB 0.794 41.431 40.800 -0.272 0.000 1.181 354 D HN -0.761 7.386 8.370 -0.323 0.029 0.448 355 P HA -0.028 nan 4.420 nan 0.000 0.223 355 P C 0.739 178.092 177.300 0.087 0.000 1.151 355 P CA 1.543 64.669 63.100 0.043 0.000 0.787 355 P CB 0.028 31.764 31.700 0.059 0.000 0.788 356 I N -5.122 115.437 120.570 -0.019 0.000 2.454 356 I HA -0.411 nan 4.170 nan 0.000 0.254 356 I C 1.009 177.090 176.117 -0.061 0.000 1.156 356 I CA 2.935 64.201 61.300 -0.057 0.000 1.433 356 I CB -0.550 37.355 38.000 -0.157 0.000 1.082 356 I HN -0.576 7.851 8.210 -0.069 -0.258 0.432 357 F N 1.992 121.777 119.950 -0.275 0.000 2.091 357 F HA -0.489 nan 4.527 nan 0.000 0.299 357 F C 1.138 176.787 175.800 -0.252 0.000 1.103 357 F CA 4.547 62.351 58.000 -0.326 0.000 1.228 357 F CB -0.041 38.567 39.000 -0.655 0.000 0.984 357 F HN -0.509 7.632 8.300 -0.021 0.147 0.477 358 Y N -3.203 117.202 120.300 0.174 0.000 2.242 358 Y HA -0.425 nan 4.550 nan 0.000 0.291 358 Y C 2.089 178.020 175.900 0.052 0.000 1.137 358 Y CA 4.022 62.148 58.100 0.043 0.000 1.181 358 Y CB -0.672 37.589 38.460 -0.332 0.000 0.989 358 Y HN -0.761 7.435 8.280 -0.109 0.018 0.527 359 R N -0.392 120.212 120.500 0.174 0.000 2.073 359 R HA -0.416 nan 4.340 nan 0.000 0.234 359 R C 2.296 178.688 176.300 0.153 0.000 1.134 359 R CA 3.515 59.717 56.100 0.170 0.000 0.952 359 R CB -0.162 30.236 30.300 0.163 0.000 0.850 359 R HN -0.622 7.655 8.270 0.154 0.085 0.433 360 W N 0.046 121.264 121.300 -0.138 0.000 2.381 360 W HA -0.328 nan 4.660 nan 0.000 0.301 360 W C 1.684 178.105 176.519 -0.162 0.000 1.205 360 W CA 3.742 60.945 57.345 -0.237 0.000 1.285 360 W CB 0.057 29.163 29.460 -0.591 0.000 1.133 360 W HN 0.085 8.313 8.180 0.079 0.000 0.521 361 H N -0.962 117.966 119.070 -0.237 0.000 2.423 361 H HA -0.284 nan 4.556 nan 0.000 0.297 361 H C 2.874 178.140 175.328 -0.102 0.000 1.075 361 H CA 5.087 61.006 56.048 -0.216 0.000 1.342 361 H CB -0.093 29.523 29.762 -0.244 0.000 1.395 361 H HN -0.112 8.168 8.280 0.002 0.000 0.530 362 R N -0.710 119.833 120.500 0.071 0.000 2.092 362 R HA -0.288 nan 4.340 nan 0.000 0.231 362 R C 2.053 178.359 176.300 0.011 0.000 1.119 362 R CA 2.477 58.621 56.100 0.074 0.000 0.970 362 R CB -0.848 29.520 30.300 0.113 0.000 0.864 362 R HN 0.333 8.564 8.270 0.111 0.105 0.440 363 F N 1.515 121.339 119.950 -0.210 0.000 2.102 363 F HA -0.317 nan 4.527 nan 0.000 0.298 363 F C 1.674 177.286 175.800 -0.313 0.000 1.105 363 F CA 3.535 61.359 58.000 -0.293 0.000 1.239 363 F CB 0.101 38.764 39.000 -0.561 0.000 0.991 363 F HN -0.597 7.640 8.300 0.036 0.084 0.474 364 I N -4.984 115.338 120.570 -0.413 0.000 2.315 364 I HA -0.549 nan 4.170 nan 0.000 0.248 364 I C 1.497 177.669 176.117 0.092 0.000 1.117 364 I CA 3.344 64.498 61.300 -0.243 0.000 1.404 364 I CB -0.634 37.354 38.000 -0.020 0.000 1.071 364 I HN -0.114 7.794 8.210 -0.503 0.000 0.419 365 D N 0.403 120.912 120.400 0.181 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 3.202 57.438 54.000 0.393 0.000 0.839 365 D CB -0.326 40.580 40.800 0.176 0.000 0.948 365 D HN 0.163 8.351 8.370 0.042 0.207 0.460 366 N N -0.993 117.704 118.700 -0.004 0.000 2.149 366 N HA -0.268 nan 4.740 nan 0.000 0.188 366 N C 2.413 177.842 175.510 -0.135 0.000 1.019 366 N CA 3.066 56.067 53.050 -0.082 0.000 0.857 366 N CB -0.152 38.211 38.487 -0.207 0.000 0.997 366 N HN -0.112 8.101 8.380 -0.090 0.112 0.426 367 I N -0.261 120.131 120.570 -0.297 0.000 2.226 367 I HA -0.521 nan 4.170 nan 0.000 0.245 367 I C 1.635 177.552 176.117 -0.333 0.000 1.100 367 I CA 3.710 64.772 61.300 -0.396 0.000 1.374 367 I CB -0.166 37.473 38.000 -0.602 0.000 1.057 367 I HN -0.430 7.427 8.210 -0.336 0.152 0.413 368 F N -1.699 118.215 119.950 -0.061 0.000 2.171 368 F HA -0.424 nan 4.527 nan 0.000 0.300 368 F C 2.323 178.078 175.800 -0.076 0.000 1.090 368 F CA 4.052 61.967 58.000 -0.141 0.000 1.293 368 F CB -0.777 38.029 39.000 -0.324 0.000 1.013 368 F HN -0.833 7.337 8.300 -0.088 0.077 0.486 369 Q N -1.898 118.008 119.800 0.176 0.000 2.124 369 Q HA -0.356 nan 4.340 nan 0.000 0.202 369 Q C 2.753 178.797 176.000 0.072 0.000 0.977 369 Q CA 3.026 58.906 55.803 0.128 0.000 0.850 369 Q CB -0.881 27.923 28.738 0.109 0.000 0.901 369 Q HN 0.174 8.475 8.270 0.218 0.099 0.429 370 E N -0.588 119.625 120.200 0.022 0.000 2.110 370 E HA -0.375 nan 4.350 nan 0.000 0.193 370 E C 2.371 178.989 176.600 0.030 0.000 0.988 370 E CA 2.821 59.218 56.400 -0.004 0.000 0.804 370 E CB -0.229 29.441 29.700 -0.051 0.000 0.745 370 E HN -0.148 8.121 8.360 -0.010 0.085 0.458 371 H N 0.519 119.576 119.070 -0.021 0.000 2.353 371 H HA -0.255 nan 4.556 nan 0.000 0.300 371 H C 2.356 177.844 175.328 0.267 0.000 1.090 371 H CA 3.746 59.834 56.048 0.067 0.000 1.327 371 H CB 0.151 29.946 29.762 0.056 0.000 1.383 371 H HN -0.701 7.577 8.280 0.113 0.070 0.508 372 K N -1.793 118.743 120.400 0.226 0.000 2.147 372 K HA -0.295 nan 4.320 nan 0.000 0.205 372 K C 2.986 179.702 176.600 0.195 0.000 1.049 372 K CA 2.371 58.777 56.287 0.198 0.000 0.936 372 K CB -0.739 31.821 32.500 0.099 0.000 0.722 372 K HN -0.091 8.190 8.250 0.198 0.088 0.446 373 K N -0.507 119.943 120.400 0.084 0.000 2.097 373 K HA -0.235 nan 4.320 nan 0.000 0.206 373 K C 1.584 178.155 176.600 -0.049 0.000 1.049 373 K CA 2.705 59.000 56.287 0.013 0.000 0.933 373 K CB -0.315 32.176 32.500 -0.014 0.000 0.717 373 K HN 0.076 8.243 8.250 0.076 0.128 0.442 374 S N -1.490 114.149 115.700 -0.102 0.000 2.447 374 S HA -0.198 nan 4.470 nan 0.000 0.233 374 S C 0.397 174.747 174.600 -0.418 0.000 1.006 374 S CA 2.277 60.328 58.200 -0.249 0.000 0.957 374 S CB 0.728 63.751 63.200 -0.295 0.000 0.773 374 S HN -0.518 7.627 8.310 -0.071 0.122 0.507 375 F N 1.209 121.038 119.950 -0.201 0.000 2.382 375 F HA 0.013 nan 4.527 nan 0.000 0.331 375 F C 0.170 175.837 175.800 -0.222 0.000 1.121 375 F CA 1.085 58.983 58.000 -0.169 0.000 1.183 375 F CB 1.016 39.940 39.000 -0.127 0.000 1.207 375 F HN -0.697 7.541 8.300 0.196 0.179 0.555 376 H N 1.701 120.793 119.070 0.037 0.000 2.607 376 H HA 0.160 nan 4.556 nan 0.000 0.367 376 H C -1.620 173.641 175.328 -0.111 0.000 1.181 376 H CA -0.597 55.431 56.048 -0.032 0.000 1.402 376 H CB 0.284 30.027 29.762 -0.032 0.000 1.474 376 H HN 0.067 8.504 8.280 0.261 0.000 0.596 377 P HA 0.063 nan 4.420 nan 0.000 0.277 377 P C -1.433 175.799 177.300 -0.114 0.000 1.276 377 P CA -0.256 62.796 63.100 -0.080 0.000 0.788 377 P CB 0.647 32.374 31.700 0.045 0.000 1.114 378 Y N -0.766 119.636 120.300 0.169 0.000 2.320 378 Y HA 0.098 nan 4.550 nan 0.000 0.334 378 Y C 0.435 176.402 175.900 0.111 0.000 1.055 378 Y CA 0.255 58.454 58.100 0.164 0.000 1.143 378 Y CB 0.951 39.541 38.460 0.217 0.000 1.193 378 Y HN 0.235 8.618 8.280 0.171 0.000 0.477 379 T N 4.876 119.577 114.554 0.246 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 0.091 0.000 0.993 379 T CA -0.746 61.428 62.100 0.125 0.000 0.994 379 T CB 1.322 70.245 68.868 0.092 0.000 1.025 379 T HN 0.249 8.655 8.240 0.277 0.000 0.529 380 K N 1.189 121.601 120.400 0.020 0.000 2.147 380 K HA -0.345 nan 4.320 nan 0.000 0.205 380 K C 2.281 178.892 176.600 0.019 0.000 1.049 380 K CA 3.159 59.434 56.287 -0.020 0.000 0.936 380 K CB 0.006 32.484 32.500 -0.036 0.000 0.722 380 K HN 0.306 8.564 8.250 0.012 0.000 0.446 381 E N -1.571 118.653 120.200 0.039 0.000 2.058 381 E HA -0.311 nan 4.350 nan 0.000 0.194 381 E C 1.128 177.771 176.600 0.072 0.000 0.997 381 E CA 2.849 59.275 56.400 0.044 0.000 0.801 381 E CB -0.627 29.100 29.700 0.044 0.000 0.746 381 E HN 0.096 8.466 8.360 0.037 0.011 0.450 382 E N -2.113 118.157 120.200 0.116 0.000 2.072 382 E HA -0.164 nan 4.350 nan 0.000 0.191 382 E C 1.742 178.425 176.600 0.138 0.000 0.985 382 E CA 2.189 58.671 56.400 0.138 0.000 0.801 382 E CB -0.154 29.706 29.700 0.265 0.000 0.750 382 E HN -0.623 7.726 8.360 0.134 0.091 0.452 383 L N -3.115 118.193 121.223 0.142 0.000 2.044 383 L HA -0.194 nan 4.340 nan 0.000 0.205 383 L C 0.807 177.752 176.870 0.125 0.000 1.075 383 L CA 2.005 56.932 54.840 0.145 0.000 0.747 383 L CB 0.340 42.401 42.059 0.003 0.000 0.903 383 L HN -0.673 7.631 8.230 0.124 0.000 0.435 384 S N -3.087 112.659 115.700 0.076 0.000 2.576 384 S HA -0.046 nan 4.470 nan 0.000 0.276 384 S C -0.876 173.816 174.600 0.153 0.000 1.339 384 S CA 0.843 59.090 58.200 0.079 0.000 1.039 384 S CB 0.695 63.905 63.200 0.018 0.000 0.902 384 S HN -0.215 8.027 8.310 0.057 0.102 0.516 385 F N 5.469 125.422 119.950 0.005 0.000 2.434 385 F HA 0.376 nan 4.527 nan 0.000 0.355 385 F C -2.708 173.092 175.800 0.000 0.000 1.115 385 F CA -3.407 54.598 58.000 0.008 0.000 1.010 385 F CB 2.875 41.883 39.000 0.012 0.000 1.234 385 F HN -0.444 8.170 8.300 0.213 -0.186 0.439 386 P HA 0.059 nan 4.420 nan 0.000 0.275 386 P C -0.589 176.466 177.300 -0.408 0.000 1.228 386 P CA -0.046 62.850 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 0.534 109.222 108.800 -0.187 0.000 2.253 387 G HA2 -0.306 nan 3.960 nan 0.000 0.251 387 G HA3 -0.306 nan 3.960 nan 0.000 0.251 387 G C -1.202 173.676 174.900 -0.037 0.000 0.998 387 G CA 0.546 45.573 45.100 -0.121 0.000 0.621 387 G HN 0.090 8.303 8.290 -0.128 0.000 0.524 388 V N 1.500 121.424 119.914 0.016 0.000 2.435 388 V HA 0.402 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 -0.768 61.614 62.300 0.138 0.000 0.881 388 V CB 0.669 32.721 31.823 0.381 0.000 0.983 388 V HN -0.727 7.353 8.190 -0.040 0.086 0.445 389 E N 6.959 127.187 120.200 0.046 0.000 2.272 389 E HA 0.437 nan 4.350 nan 0.000 0.269 389 E C -1.585 175.019 176.600 0.006 0.000 0.877 389 E CA -1.641 54.771 56.400 0.020 0.000 0.755 389 E CB 4.740 34.444 29.700 0.007 0.000 1.192 389 E HN 0.336 8.723 8.360 0.045 0.000 0.422 390 V N 6.753 126.660 119.914 -0.011 0.000 2.348 390 V HA 0.275 nan 4.120 nan 0.000 0.270 390 V C -0.102 175.978 176.094 -0.023 0.000 1.037 390 V CA -0.012 62.270 62.300 -0.030 0.000 0.872 390 V CB -0.602 31.183 31.823 -0.064 0.000 1.002 390 V HN 0.305 8.489 8.190 -0.011 0.000 0.464 391 V N 8.088 127.992 119.914 -0.016 0.000 2.323 391 V HA -0.015 nan 4.120 nan 0.000 0.244 391 V C 0.190 176.280 176.094 -0.007 0.000 1.041 391 V CA 1.785 64.080 62.300 -0.009 0.000 1.025 391 V CB 0.471 32.291 31.823 -0.005 0.000 0.656 391 V HN 0.668 8.848 8.190 -0.017 0.000 0.451 392 G N -4.541 104.252 108.800 -0.011 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 -3.244 171.655 174.900 -0.001 0.000 1.487 392 G CA 0.633 45.731 45.100 -0.003 0.000 0.795 392 G HN -0.820 7.459 8.290 -0.017 0.000 0.513 393 V N -0.918 119.005 119.914 0.014 0.000 2.925 393 V HA 0.704 nan 4.120 nan 0.000 0.311 393 V C -1.451 174.679 176.094 0.061 0.000 1.104 393 V CA -1.575 60.746 62.300 0.036 0.000 0.954 393 V CB 3.506 35.347 31.823 0.030 0.000 1.022 393 V HN 0.280 8.481 8.190 0.019 0.000 0.427 394 S N 2.477 118.230 115.700 0.089 0.000 2.546 394 S HA 0.690 nan 4.470 nan 0.000 0.274 394 S C -1.883 172.784 174.600 0.112 0.000 1.121 394 S CA -1.082 57.165 58.200 0.079 0.000 0.887 394 S CB 3.506 66.736 63.200 0.050 0.000 1.094 394 S HN 0.309 8.681 8.310 0.104 0.000 0.474 395 I N -1.590 119.023 120.570 0.072 0.000 2.404 395 I HA 0.651 nan 4.170 nan 0.000 0.293 395 I C -1.794 174.322 176.117 -0.002 0.000 0.992 395 I CA -2.107 59.207 61.300 0.023 0.000 1.149 395 I CB 1.282 39.241 38.000 -0.068 0.000 1.315 395 I HN 0.359 8.894 8.210 0.052 -0.294 0.446 396 N N 8.138 126.842 118.700 0.008 0.000 2.400 396 N HA 0.439 nan 4.740 nan 0.000 0.288 396 N C -1.459 174.078 175.510 0.046 0.000 1.024 396 N CA 0.192 53.255 53.050 0.020 0.000 0.894 396 N CB 2.242 40.741 38.487 0.020 0.000 1.173 396 N HN 0.576 8.847 8.380 -0.000 0.109 0.487 397 S N 2.754 118.473 115.700 0.033 0.000 2.929 397 S HA 0.196 nan 4.470 nan 0.000 0.311 397 S C -0.710 173.901 174.600 0.018 0.000 1.213 397 S CA -0.412 57.816 58.200 0.047 0.000 0.908 397 S CB 2.268 65.492 63.200 0.039 0.000 1.287 397 S HN 0.025 8.344 8.310 0.016 0.000 0.594 398 K N 1.992 122.397 120.400 0.009 0.000 2.032 398 K HA -0.148 nan 4.320 nan 0.000 0.209 398 K C 0.006 176.601 176.600 -0.008 0.000 1.048 398 K CA 1.833 58.116 56.287 -0.006 0.000 0.927 398 K CB 0.281 32.769 32.500 -0.021 0.000 0.712 398 K HN 0.061 8.660 8.250 0.014 -0.340 0.441 399 T N 0.427 114.975 114.554 -0.010 0.000 2.807 399 T HA 0.186 nan 4.350 nan 0.000 0.279 399 T C -1.539 173.156 174.700 -0.008 0.000 0.993 399 T CA -0.673 61.421 62.100 -0.009 0.000 0.970 399 T CB 1.982 70.842 68.868 -0.014 0.000 0.950 399 T HN -0.168 8.071 8.240 -0.011 -0.005 0.441 400 A N 3.987 126.805 122.820 -0.002 0.000 2.462 400 A HA -0.082 nan 4.320 nan 0.000 0.243 400 A C 0.158 177.740 177.584 -0.004 0.000 1.076 400 A CA 0.773 52.810 52.037 -0.001 0.000 0.773 400 A CB 0.036 19.040 19.000 0.007 0.000 1.010 400 A HN 0.317 8.466 8.150 -0.001 0.000 0.493 401 N N -2.420 116.273 118.700 -0.012 0.000 2.800 401 N HA -0.425 nan 4.740 nan 0.000 0.250 401 N C -1.542 173.954 175.510 -0.023 0.000 1.078 401 N CA 1.188 54.231 53.050 -0.012 0.000 0.804 401 N CB -1.516 36.979 38.487 0.014 0.000 1.135 401 N HN 0.267 8.532 8.380 -0.016 0.105 0.565 402 V N -8.420 111.472 119.914 -0.038 0.000 2.709 402 V HA 0.786 nan 4.120 nan 0.000 0.308 402 V C -2.170 173.883 176.094 -0.068 0.000 1.062 402 V CA -2.298 59.980 62.300 -0.038 0.000 0.901 402 V CB 3.086 34.897 31.823 -0.020 0.000 1.003 402 V HN -0.603 7.511 8.190 -0.036 0.054 0.425 403 I N 4.153 124.671 120.570 -0.087 0.000 2.474 403 I HA 0.464 nan 4.170 nan 0.000 0.294 403 I C -1.913 174.186 176.117 -0.029 0.000 1.005 403 I CA -1.827 59.415 61.300 -0.096 0.000 1.113 403 I CB 3.730 41.594 38.000 -0.226 0.000 1.289 403 I HN 0.710 8.880 8.210 -0.068 0.000 0.436 404 T N 9.156 123.715 114.554 0.009 0.000 2.859 404 T HA 0.546 nan 4.350 nan 0.000 0.281 404 T C -1.943 172.788 174.700 0.052 0.000 1.005 404 T CA -0.812 61.288 62.100 -0.000 0.000 1.025 404 T CB 1.876 70.715 68.868 -0.048 0.000 0.977 404 T HN 0.218 8.482 8.240 0.040 0.000 0.458 405 T N 5.878 120.462 114.554 0.051 0.000 2.876 405 T HA 0.965 nan 4.350 nan 0.000 0.289 405 T C -2.371 172.277 174.700 -0.088 0.000 1.014 405 T CA -1.695 60.490 62.100 0.142 0.000 0.986 405 T CB 1.321 70.379 68.868 0.318 0.000 1.021 405 T HN 0.240 8.489 8.240 0.015 0.000 0.458 406 L N 3.939 125.153 121.223 -0.015 0.000 2.510 406 L HA 0.744 nan 4.340 nan 0.000 0.252 406 L C -1.920 175.038 176.870 0.147 0.000 1.091 406 L CA -1.047 53.675 54.840 -0.196 0.000 0.888 406 L CB 4.286 46.253 42.059 -0.153 0.000 1.507 406 L HN 1.001 9.195 8.230 0.127 0.112 0.407 407 I N -0.831 119.819 120.570 0.132 0.000 2.392 407 I HA 0.505 nan 4.170 nan 0.000 0.295 407 I C -1.932 174.181 176.117 -0.006 0.000 0.985 407 I CA -2.501 58.877 61.300 0.130 0.000 1.221 407 I CB 1.596 39.711 38.000 0.191 0.000 1.366 407 I HN 0.205 8.439 8.210 0.040 0.000 0.467 408 K N 8.033 128.314 120.400 -0.198 0.000 2.371 408 K HA 0.433 nan 4.320 nan 0.000 0.251 408 K C -1.743 174.657 176.600 -0.334 0.000 0.934 408 K CA -2.140 53.983 56.287 -0.274 0.000 0.798 408 K CB 3.416 35.685 32.500 -0.384 0.000 1.204 408 K HN 0.868 8.814 8.250 -0.332 0.105 0.427 409 E N 3.166 123.236 120.200 -0.217 0.000 2.313 409 E HA 0.450 nan 4.350 nan 0.000 0.272 409 E C -1.198 175.151 176.600 -0.418 0.000 1.038 409 E CA -0.852 55.313 56.400 -0.392 0.000 0.863 409 E CB 1.163 30.662 29.700 -0.334 0.000 1.060 409 E HN 0.295 8.568 8.360 -0.144 0.000 0.402 410 S N 1.462 116.766 115.700 -0.659 0.000 2.607 410 S HA 0.399 nan 4.470 nan 0.000 0.273 410 S C -2.153 171.954 174.600 -0.823 0.000 1.148 410 S CA -1.287 56.519 58.200 -0.656 0.000 0.833 410 S CB 2.497 65.323 63.200 -0.624 0.000 1.130 410 S HN 0.727 8.531 8.310 -0.843 0.000 0.470 411 L N 0.985 121.944 121.223 -0.440 0.000 2.370 411 L HA 0.817 nan 4.340 nan 0.000 0.266 411 L C -1.641 175.224 176.870 -0.008 0.000 1.002 411 L CA -1.379 53.325 54.840 -0.227 0.000 0.818 411 L CB 3.220 45.210 42.059 -0.116 0.000 1.325 411 L HN 0.329 8.379 8.230 -0.299 0.000 0.418 412 L N 1.306 122.608 121.223 0.131 0.000 2.365 412 L HA 0.479 nan 4.340 nan 0.000 0.273 412 L C -2.001 174.927 176.870 0.097 0.000 1.000 412 L CA -1.814 53.127 54.840 0.169 0.000 0.819 412 L CB 4.675 46.870 42.059 0.227 0.000 1.284 412 L HN 0.817 9.007 8.230 0.116 0.110 0.418 413 E N 5.066 125.316 120.200 0.084 0.000 2.115 413 E HA 0.314 nan 4.350 nan 0.000 0.282 413 E C 0.100 176.740 176.600 0.066 0.000 0.987 413 E CA -0.620 55.818 56.400 0.064 0.000 0.797 413 E CB 0.745 30.488 29.700 0.072 0.000 1.086 413 E HN 0.332 8.747 8.360 0.093 0.000 0.397 414 L N 5.999 127.243 121.223 0.035 0.000 2.240 414 L HA -0.105 nan 4.340 nan 0.000 0.211 414 L C 1.518 178.368 176.870 -0.033 0.000 1.106 414 L CA 2.313 57.171 54.840 0.029 0.000 0.793 414 L CB -0.038 42.048 42.059 0.046 0.000 0.927 414 L HN 0.874 9.122 8.230 0.030 0.000 0.446 415 S N -0.975 114.653 115.700 -0.120 0.000 2.387 415 S HA -0.412 nan 4.470 nan 0.000 0.230 415 S C 1.656 176.038 174.600 -0.364 0.000 1.035 415 S CA 3.211 61.274 58.200 -0.228 0.000 1.014 415 S CB -0.262 62.692 63.200 -0.410 0.000 0.836 415 S HN -0.084 8.165 8.310 -0.101 0.000 0.466 416 H N -0.980 117.898 119.070 -0.319 0.000 2.389 416 H HA -0.108 nan 4.556 nan 0.000 0.299 416 H C 1.723 176.815 175.328 -0.394 0.000 1.081 416 H CA 2.817 58.535 56.048 -0.550 0.000 1.345 416 H CB 0.028 29.071 29.762 -1.197 0.000 1.393 416 H HN -0.104 7.961 8.280 -0.318 0.023 0.520 417 G N -3.045 105.677 108.800 -0.131 0.000 2.394 417 G HA2 -0.108 nan 3.960 nan 0.000 0.214 417 G HA3 -0.108 nan 3.960 nan 0.000 0.214 417 G C -0.560 174.259 174.900 -0.135 0.000 1.176 417 G CA 0.964 45.978 45.100 -0.143 0.000 0.786 417 G HN -0.295 7.957 8.290 -0.063 0.000 0.533 418 I N -5.345 115.184 120.570 -0.070 0.000 2.797 418 I HA 0.456 nan 4.170 nan 0.000 0.307 418 I C -1.916 174.197 176.117 -0.008 0.000 1.033 418 I CA -3.557 57.726 61.300 -0.029 0.000 1.071 418 I CB 2.303 40.318 38.000 0.025 0.000 1.255 418 I HN -0.624 7.552 8.210 -0.057 0.000 0.445 419 N N 2.610 121.305 118.700 -0.009 0.000 2.434 419 N HA -0.193 nan 4.740 nan 0.000 0.268 419 N C -0.414 175.053 175.510 -0.071 0.000 1.256 419 N CA 0.720 53.744 53.050 -0.045 0.000 0.914 419 N CB -0.292 38.151 38.487 -0.072 0.000 1.088 419 N HN 0.018 8.397 8.380 -0.002 0.000 0.478 420 F N 1.201 121.137 119.950 -0.024 0.000 2.163 420 F HA -0.022 nan 4.527 nan 0.000 0.297 420 F C 0.204 175.998 175.800 -0.010 0.000 1.094 420 F CA 0.305 58.283 58.000 -0.036 0.000 1.290 420 F CB -0.027 38.928 39.000 -0.074 0.000 1.017 420 F HN -0.320 8.178 8.300 0.329 0.000 0.483 421 G N 0.320 108.600 108.800 -0.867 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 0.545 175.395 174.900 -0.083 0.000 1.159 421 G CA 1.074 45.925 45.100 -0.416 0.000 0.969 421 G HN -0.368 7.030 8.290 -1.714 -0.137 0.554 422 T N 0.998 115.565 114.554 0.022 0.000 2.857 422 T HA -0.088 nan 4.350 nan 0.000 0.266 422 T C 0.632 175.418 174.700 0.144 0.000 1.048 422 T CA 0.597 62.749 62.100 0.088 0.000 1.139 422 T CB -0.079 68.818 68.868 0.047 0.000 0.874 422 T HN 0.609 8.843 8.240 -0.011 0.000 0.455 423 D N 1.990 122.476 120.400 0.142 0.000 2.443 423 D HA -0.062 nan 4.640 nan 0.000 0.239 423 D C 0.280 176.648 176.300 0.112 0.000 1.136 423 D CA -0.062 54.005 54.000 0.111 0.000 0.879 423 D CB -0.201 40.650 40.800 0.085 0.000 1.195 423 D HN -0.709 7.739 8.370 0.130 0.000 0.443 424 Q N 2.647 122.467 119.800 0.033 0.000 2.079 424 Q HA -0.196 nan 4.340 nan 0.000 0.200 424 Q C 0.199 176.152 176.000 -0.080 0.000 0.974 424 Q CA 3.265 59.048 55.803 -0.033 0.000 0.840 424 Q CB 0.950 29.669 28.738 -0.032 0.000 0.898 424 Q HN -0.066 8.223 8.270 0.032 0.000 0.430 425 S N -4.711 110.966 115.700 -0.039 0.000 2.537 425 S HA 0.381 nan 4.470 nan 0.000 0.271 425 S C -2.712 171.880 174.600 -0.013 0.000 1.148 425 S CA -0.408 57.758 58.200 -0.057 0.000 0.868 425 S CB 2.146 65.310 63.200 -0.060 0.000 1.115 425 S HN -0.531 7.775 8.310 -0.007 0.000 0.461 426 V N -0.189 119.720 119.914 -0.007 0.000 2.444 426 V HA 0.826 nan 4.120 nan 0.000 0.294 426 V C -1.850 174.254 176.094 0.018 0.000 1.022 426 V CA -2.475 59.835 62.300 0.018 0.000 0.850 426 V CB 1.748 33.593 31.823 0.037 0.000 0.992 426 V HN 0.056 8.228 8.190 -0.029 0.000 0.426 427 K N 4.739 125.151 120.400 0.021 0.000 2.318 427 K HA 0.846 nan 4.320 nan 0.000 0.249 427 K C -2.268 174.356 176.600 0.040 0.000 0.942 427 K CA -2.459 53.844 56.287 0.027 0.000 0.808 427 K CB 3.485 35.988 32.500 0.005 0.000 1.189 427 K HN 0.096 8.358 8.250 0.020 0.000 0.428 428 V N 1.906 121.862 119.914 0.070 0.000 2.513 428 V HA 0.624 nan 4.120 nan 0.000 0.299 428 V C -2.244 173.893 176.094 0.072 0.000 1.035 428 V CA -2.848 59.506 62.300 0.091 0.000 0.889 428 V CB 3.248 35.157 31.823 0.144 0.000 0.988 428 V HN 0.689 8.931 8.190 0.087 0.000 0.440 429 K N 9.262 129.669 120.400 0.012 0.000 2.183 429 K HA 0.729 nan 4.320 nan 0.000 0.274 429 K C -1.854 174.693 176.600 -0.088 0.000 1.009 429 K CA -1.356 54.849 56.287 -0.137 0.000 0.888 429 K CB 2.290 34.695 32.500 -0.158 0.000 1.078 429 K HN 0.898 9.072 8.250 0.038 0.099 0.459 430 Y N 2.955 123.166 120.300 -0.148 0.000 2.638 430 Y HA 0.463 nan 4.550 nan 0.000 0.339 430 Y C -2.349 173.381 175.900 -0.283 0.000 1.084 430 Y CA -2.623 55.414 58.100 -0.104 0.000 1.068 430 Y CB 2.275 40.761 38.460 0.043 0.000 1.294 430 Y HN 0.973 8.611 8.280 -0.881 0.114 0.480 431 H N -1.139 118.108 119.070 0.294 0.000 2.622 431 H HA 0.775 nan 4.556 nan 0.000 0.363 431 H C -0.503 174.979 175.328 0.257 0.000 1.151 431 H CA -1.674 54.447 56.048 0.122 0.000 1.184 431 H CB 3.699 33.505 29.762 0.073 0.000 1.643 431 H HN 0.202 8.790 8.280 0.513 0.000 0.531 432 H N -2.100 117.126 119.070 0.259 0.000 3.008 432 H HA 0.323 nan 4.556 nan 0.000 0.354 432 H C -2.245 173.177 175.328 0.158 0.000 1.252 432 H CA -2.148 54.002 56.048 0.169 0.000 1.117 432 H CB 2.665 32.391 29.762 -0.060 0.000 1.857 432 H HN 0.824 8.944 8.280 -0.266 0.000 0.547 433 L N -0.914 120.551 121.223 0.404 0.000 2.417 433 L HA 0.292 nan 4.340 nan 0.000 0.268 433 L C -0.495 176.670 176.870 0.491 0.000 1.158 433 L CA 0.285 55.339 54.840 0.357 0.000 0.819 433 L CB 0.874 43.116 42.059 0.306 0.000 1.112 433 L HN 0.332 8.855 8.230 0.488 0.000 0.458 434 D N 3.504 124.110 120.400 0.344 0.000 2.599 434 D HA 0.326 nan 4.640 nan 0.000 0.252 434 D C -2.507 173.918 176.300 0.209 0.000 1.232 434 D CA -1.033 53.135 54.000 0.281 0.000 0.819 434 D CB 3.881 44.788 40.800 0.179 0.000 1.401 434 D HN 0.736 9.287 8.370 0.302 0.000 0.429 435 H N -2.247 116.899 119.070 0.126 0.000 2.946 435 H HA 0.739 nan 4.556 nan 0.000 0.365 435 H C -1.482 173.841 175.328 -0.010 0.000 1.197 435 H CA -2.109 53.976 56.048 0.063 0.000 1.131 435 H CB 3.007 32.821 29.762 0.087 0.000 1.849 435 H HN 0.015 8.093 8.280 -0.335 0.000 0.555 436 E N 1.153 121.436 120.200 0.138 0.000 2.390 436 E HA 0.040 nan 4.350 nan 0.000 0.261 436 E C -1.613 175.029 176.600 0.070 0.000 1.076 436 E CA -1.910 54.520 56.400 0.052 0.000 0.905 436 E CB 1.179 30.913 29.700 0.056 0.000 0.984 436 E HN 0.057 8.526 8.360 0.182 0.000 0.427 437 P HA 0.100 nan 4.420 nan 0.000 0.275 437 P C -2.054 175.256 177.300 0.016 0.000 1.228 437 P CA 0.289 63.273 63.100 -0.194 0.000 0.786 437 P CB 0.599 32.392 31.700 0.155 0.000 0.927 438 F N -4.104 115.891 119.950 0.075 0.000 2.711 438 F HA 0.649 nan 4.527 nan 0.000 0.313 438 F C -2.170 173.558 175.800 -0.121 0.000 1.141 438 F CA -2.236 55.725 58.000 -0.065 0.000 0.941 438 F CB 2.263 41.153 39.000 -0.183 0.000 1.349 438 F HN -0.498 7.448 8.300 -0.591 0.000 0.464 439 T N -1.412 113.169 114.554 0.046 0.000 2.901 439 T HA 0.786 nan 4.350 nan 0.000 0.293 439 T C -2.120 172.476 174.700 -0.174 0.000 1.084 439 T CA -1.951 60.084 62.100 -0.109 0.000 1.008 439 T CB 3.155 71.995 68.868 -0.047 0.000 1.170 439 T HN 0.265 8.578 8.240 0.123 0.000 0.509 440 Y N 0.330 120.717 120.300 0.145 0.000 2.429 440 Y HA 0.609 nan 4.550 nan 0.000 0.342 440 Y C -1.773 174.152 175.900 0.041 0.000 1.004 440 Y CA -2.022 56.144 58.100 0.109 0.000 1.075 440 Y CB 3.294 41.827 38.460 0.121 0.000 1.214 440 Y HN 0.572 8.902 8.280 0.082 0.000 0.455 441 N N 1.880 120.691 118.700 0.185 0.000 2.448 441 N HA 0.459 nan 4.740 nan 0.000 0.279 441 N C -2.212 173.336 175.510 0.064 0.000 1.025 441 N CA -0.752 52.349 53.050 0.085 0.000 0.898 441 N CB 2.982 41.496 38.487 0.046 0.000 1.303 441 N HN 0.600 9.100 8.380 0.201 0.000 0.495 442 I N 6.659 127.240 120.570 0.018 0.000 2.406 442 I HA 0.589 nan 4.170 nan 0.000 0.290 442 I C -2.311 173.782 176.117 -0.039 0.000 0.999 442 I CA -2.382 58.910 61.300 -0.014 0.000 1.124 442 I CB 3.077 41.052 38.000 -0.042 0.000 1.289 442 I HN 0.580 8.786 8.210 -0.008 0.000 0.441 443 V N 9.778 129.676 119.914 -0.026 0.000 2.407 443 V HA 0.528 nan 4.120 nan 0.000 0.278 443 V C -1.548 174.529 176.094 -0.027 0.000 1.037 443 V CA -0.876 61.410 62.300 -0.024 0.000 0.900 443 V CB 0.453 32.270 31.823 -0.010 0.000 0.983 443 V HN 0.612 8.791 8.190 -0.017 0.000 0.459 444 V N 7.621 127.520 119.914 -0.025 0.000 2.735 444 V HA 0.582 nan 4.120 nan 0.000 0.310 444 V C -2.070 174.025 176.094 0.002 0.000 1.061 444 V CA -1.867 60.424 62.300 -0.016 0.000 0.913 444 V CB 3.628 35.437 31.823 -0.023 0.000 1.005 444 V HN 0.923 8.992 8.190 -0.024 0.106 0.428 445 E N 5.604 125.810 120.200 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 -2.212 54.197 56.400 0.014 0.000 0.770 445 E CB 2.504 32.209 29.700 0.009 0.000 1.104 445 E HN 0.736 9.102 8.360 0.009 0.000 0.403 446 N N 6.874 125.591 118.700 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 0.526 39.039 38.487 0.043 0.000 1.132 446 N HN 0.245 8.639 8.380 0.023 0.000 0.511 447 N N 7.612 126.317 118.700 0.009 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 1.894 54.940 53.050 -0.006 0.000 0.870 447 N CB 0.098 38.573 38.487 -0.019 0.000 0.979 447 N HN 0.838 9.134 8.380 0.014 0.093 0.431 448 S N 0.885 116.579 115.700 -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 0.454 58.647 58.200 -0.013 0.000 1.005 448 S CB 0.840 64.034 63.200 -0.011 0.000 0.909 448 S HN -0.335 8.197 8.310 -0.000 -0.222 0.555 449 G N -0.856 107.943 108.800 -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 -1.098 173.805 174.900 0.005 0.000 1.143 449 G CA 0.415 45.516 45.100 0.001 0.000 0.784 449 G HN 0.415 8.701 8.290 -0.007 0.000 0.541 450 A N -0.579 122.247 122.820 0.010 0.000 2.288 450 A HA 0.282 nan 4.320 nan 0.000 0.328 450 A C -1.713 175.873 177.584 0.004 0.000 1.123 450 A CA -1.055 50.989 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 -0.820 7.298 8.150 0.011 0.039 0.490 451 E N -0.393 119.795 120.200 -0.020 0.000 2.373 451 E HA -0.064 nan 4.350 nan 0.000 0.267 451 E C -0.978 175.553 176.600 -0.114 0.000 1.032 451 E CA 0.475 56.829 56.400 -0.076 0.000 0.889 451 E CB 0.595 30.221 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 1.287 121.607 120.400 -0.133 0.000 2.295 452 K HA 0.446 nan 4.320 nan 0.000 0.239 452 K C -1.446 174.965 176.600 -0.314 0.000 0.991 452 K CA -2.542 53.700 56.287 -0.075 0.000 0.845 452 K CB 3.336 35.954 32.500 0.197 0.000 1.197 452 K HN 0.695 8.772 8.250 -0.115 0.104 0.441 453 H N -0.339 118.783 119.070 0.087 0.000 2.547 453 H HA 0.814 nan 4.556 nan 0.000 0.342 453 H C -0.670 174.607 175.328 -0.085 0.000 1.048 453 H CA -0.983 55.104 56.048 0.066 0.000 1.204 453 H CB 2.524 32.592 29.762 0.509 0.000 1.493 453 H HN 0.476 8.874 8.280 0.197 0.000 0.511 454 S N 2.619 118.160 115.700 -0.264 0.000 2.570 454 S HA 0.634 nan 4.470 nan 0.000 0.286 454 S C -1.149 173.325 174.600 -0.210 0.000 1.099 454 S CA -1.610 56.430 58.200 -0.267 0.000 0.913 454 S CB 2.518 65.512 63.200 -0.343 0.000 1.085 454 S HN 0.931 8.857 8.310 -0.640 0.000 0.480 455 T N 3.540 118.034 114.554 -0.100 0.000 2.749 455 T HA 0.476 nan 4.350 nan 0.000 0.287 455 T C -0.956 173.592 174.700 -0.254 0.000 0.970 455 T CA -0.006 62.050 62.100 -0.072 0.000 0.980 455 T CB 0.729 69.626 68.868 0.049 0.000 0.924 455 T HN 0.233 8.398 8.240 -0.126 0.000 0.456 456 V N 8.113 127.703 119.914 -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 -0.885 61.048 62.300 -0.611 0.000 0.913 456 V CB 0.827 32.001 31.823 -1.081 0.000 0.983 456 V HN 1.151 8.794 8.190 -0.742 0.102 0.460 457 R N 6.027 126.423 120.500 -0.174 0.000 2.480 457 R HA 0.854 nan 4.340 nan 0.000 0.306 457 R C -1.478 174.844 176.300 0.037 0.000 0.958 457 R CA -1.446 54.656 56.100 0.004 0.000 0.861 457 R CB 2.675 33.141 30.300 0.275 0.000 1.171 457 R HN 0.943 9.126 8.270 -0.144 0.000 0.445 458 I N 2.936 123.449 120.570 -0.095 0.000 2.498 458 I HA 0.677 nan 4.170 nan 0.000 0.290 458 I C -1.715 174.288 176.117 -0.190 0.000 1.032 458 I CA -0.976 60.289 61.300 -0.060 0.000 1.073 458 I CB 3.113 40.984 38.000 -0.215 0.000 1.251 458 I HN 0.756 8.840 8.210 -0.210 0.000 0.426 459 F N 4.976 125.071 119.950 0.241 0.000 2.620 459 F HA 0.804 nan 4.527 nan 0.000 0.320 459 F C -2.204 173.751 175.800 0.259 0.000 1.069 459 F CA -1.561 56.588 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 0.580 9.184 8.300 0.506 0.000 0.479 460 L N 0.571 122.043 121.223 0.415 0.000 2.386 460 L HA 0.853 nan 4.340 nan 0.000 0.271 460 L C -2.497 174.539 176.870 0.277 0.000 0.993 460 L CA -1.651 53.366 54.840 0.296 0.000 0.819 460 L CB 4.216 46.336 42.059 0.102 0.000 1.294 460 L HN 0.641 9.108 8.230 0.395 0.000 0.414 461 A N 4.978 127.931 122.820 0.221 0.000 2.455 461 A HA 0.731 nan 4.320 nan 0.000 0.300 461 A C -3.506 174.109 177.584 0.052 0.000 1.040 461 A CA -2.785 49.177 52.037 -0.126 0.000 0.697 461 A CB 2.234 20.651 19.000 -0.972 0.000 1.265 461 A HN 0.799 9.130 8.150 0.300 0.000 0.407 462 P HA 0.002 nan 4.420 nan 0.000 0.267 462 P C -0.985 176.136 177.300 -0.298 0.000 1.209 462 P CA -0.361 62.541 63.100 -0.330 0.000 0.763 462 P CB 0.111 31.627 31.700 -0.306 0.000 0.816 463 K N 2.530 122.739 120.400 -0.318 0.000 2.097 463 K HA -0.227 nan 4.320 nan 0.000 0.205 463 K C 0.201 176.590 176.600 -0.350 0.000 1.050 463 K CA 2.522 58.636 56.287 -0.288 0.000 0.938 463 K CB 0.633 32.950 32.500 -0.305 0.000 0.718 463 K HN -0.136 7.843 8.250 -0.452 0.000 0.442 464 Y N -4.575 115.580 120.300 -0.243 0.000 2.301 464 Y HA -0.066 nan 4.550 nan 0.000 0.325 464 Y C -0.465 175.335 175.900 -0.166 0.000 1.203 464 Y CA 0.925 58.916 58.100 -0.181 0.000 1.255 464 Y CB 0.869 39.221 38.460 -0.180 0.000 1.232 464 Y HN -0.603 7.626 8.280 -0.046 0.023 0.501 465 D N 1.484 121.903 120.400 0.032 0.000 2.560 465 D HA 0.050 nan 4.640 nan 0.000 0.277 465 D C -0.077 176.229 176.300 0.010 0.000 1.194 465 D CA -1.618 52.375 54.000 -0.012 0.000 1.092 465 D CB 1.938 42.719 40.800 -0.031 0.000 1.169 465 D HN -0.243 8.156 8.370 0.048 0.000 0.607 466 E N -1.074 119.119 120.200 -0.012 0.000 2.385 466 E HA -0.015 nan 4.350 nan 0.000 0.194 466 E C 0.019 176.618 176.600 -0.001 0.000 1.013 466 E CA 1.395 57.787 56.400 -0.013 0.000 0.866 466 E CB 0.167 29.855 29.700 -0.021 0.000 0.832 466 E HN 0.295 8.641 8.360 -0.023 0.000 0.500 467 L N -0.596 120.629 121.223 0.003 0.000 2.051 467 L HA 0.028 nan 4.340 nan 0.000 0.202 467 L C 0.914 177.799 176.870 0.025 0.000 1.097 467 L CA 1.186 56.030 54.840 0.006 0.000 0.762 467 L CB -0.069 41.989 42.059 -0.003 0.000 0.913 467 L HN -0.463 7.842 8.230 0.000 -0.075 0.447 468 N N -4.329 114.392 118.700 0.035 0.000 3.449 468 N HA -0.017 nan 4.740 nan 0.000 0.312 468 N C -1.834 173.700 175.510 0.039 0.000 1.557 468 N CA -0.652 52.444 53.050 0.077 0.000 0.864 468 N CB 1.342 39.856 38.487 0.046 0.000 1.799 468 N HN -0.572 7.818 8.380 0.016 0.000 0.554 469 N N 0.130 118.805 118.700 -0.042 0.000 2.406 469 N HA -0.167 nan 4.740 nan 0.000 0.274 469 N C -1.346 174.046 175.510 -0.197 0.000 1.249 469 N CA 1.302 54.172 53.050 -0.300 0.000 0.951 469 N CB 0.053 38.297 38.487 -0.405 0.000 1.241 469 N HN 0.245 8.635 8.380 0.016 0.000 0.485 470 K N 4.411 124.708 120.400 -0.172 0.000 2.740 470 K HA 0.222 nan 4.320 nan 0.000 0.246 470 K C -1.169 175.367 176.600 -0.106 0.000 1.021 470 K CA -1.127 55.093 56.287 -0.112 0.000 1.021 470 K CB 1.256 33.714 32.500 -0.070 0.000 1.233 470 K HN -0.274 7.861 8.250 -0.191 0.000 0.497 471 L N 6.265 127.431 121.223 -0.095 0.000 2.416 471 L HA 0.030 nan 4.340 nan 0.000 0.243 471 L C -0.980 175.871 176.870 -0.030 0.000 1.373 471 L CA -0.610 54.188 54.840 -0.070 0.000 1.227 471 L CB -1.269 40.765 42.059 -0.041 0.000 1.428 471 L HN 0.677 8.853 8.230 -0.090 0.000 0.425 472 E N 2.202 122.375 120.200 -0.045 0.000 2.044 472 E HA 0.205 nan 4.350 nan 0.000 0.282 472 E C -1.397 175.194 176.600 -0.015 0.000 1.031 472 E CA -2.527 53.860 56.400 -0.021 0.000 0.824 472 E CB 0.019 29.702 29.700 -0.028 0.000 1.076 472 E HN -0.159 8.116 8.360 -0.071 0.043 0.395 473 P HA -0.258 nan 4.420 nan 0.000 0.219 473 P C 0.710 178.027 177.300 0.028 0.000 1.146 473 P CA 2.531 65.656 63.100 0.042 0.000 0.808 473 P CB 0.171 31.879 31.700 0.013 0.000 0.779 474 D N -1.638 118.765 120.400 0.006 0.000 2.097 474 D HA -0.257 nan 4.640 nan 0.000 0.195 474 D C 2.553 178.852 176.300 -0.000 0.000 0.989 474 D CA 3.095 57.098 54.000 0.006 0.000 0.827 474 D CB -0.380 40.422 40.800 0.002 0.000 0.966 474 D HN 0.311 8.660 8.370 0.005 0.025 0.456 475 E N -0.531 119.651 120.200 -0.029 0.000 2.106 475 E HA -0.304 nan 4.350 nan 0.000 0.192 475 E C 2.639 179.173 176.600 -0.111 0.000 0.984 475 E CA 2.593 58.958 56.400 -0.060 0.000 0.806 475 E CB -0.107 29.549 29.700 -0.075 0.000 0.750 475 E HN -0.486 7.856 8.360 -0.030 0.000 0.458 476 Q N -1.658 118.056 119.800 -0.143 0.000 2.234 476 Q HA -0.312 nan 4.340 nan 0.000 0.206 476 Q C 2.067 177.860 176.000 -0.345 0.000 0.980 476 Q CA 2.806 58.368 55.803 -0.402 0.000 0.869 476 Q CB -0.362 28.136 28.738 -0.400 0.000 0.912 476 Q HN -0.223 7.881 8.270 -0.077 0.120 0.436 477 R N -1.722 118.815 120.500 0.061 0.000 2.091 477 R HA -0.294 nan 4.340 nan 0.000 0.238 477 R C 1.955 178.286 176.300 0.051 0.000 1.136 477 R CA 2.693 58.906 56.100 0.188 0.000 0.959 477 R CB -0.548 29.839 30.300 0.146 0.000 0.856 477 R HN -0.670 7.502 8.270 0.064 0.136 0.437 478 R N -3.152 117.328 120.500 -0.033 0.000 2.075 478 R HA -0.114 nan 4.340 nan 0.000 0.232 478 R C 2.004 178.241 176.300 -0.105 0.000 1.126 478 R CA 1.486 57.559 56.100 -0.045 0.000 0.963 478 R CB -0.188 30.087 30.300 -0.042 0.000 0.858 478 R HN -0.531 7.716 8.270 -0.038 0.000 0.435 479 L N -1.722 119.372 121.223 -0.215 0.000 2.156 479 L HA -0.187 nan 4.340 nan 0.000 0.208 479 L C 0.614 177.318 176.870 -0.277 0.000 1.095 479 L CA 1.539 56.217 54.840 -0.270 0.000 0.770 479 L CB 0.092 41.906 42.059 -0.408 0.000 0.914 479 L HN -0.741 7.194 8.230 -0.266 0.135 0.439 480 F N -2.576 117.205 119.950 -0.283 0.000 2.608 480 F HA -0.197 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 1.714 59.521 58.000 -0.322 0.000 1.266 480 F CB 0.155 38.588 39.000 -0.944 0.000 1.076 480 F HN -0.629 7.407 8.300 -0.440 0.000 0.574 481 I N -1.452 119.283 120.570 0.275 0.000 2.530 481 I HA 0.484 nan 4.170 nan 0.000 0.297 481 I C -1.734 174.577 176.117 0.324 0.000 1.011 481 I CA -2.246 59.190 61.300 0.226 0.000 1.107 481 I CB 3.434 41.477 38.000 0.072 0.000 1.285 481 I HN 0.668 9.046 8.210 0.279 0.000 0.436 482 E N 4.765 125.085 120.200 0.200 0.000 2.152 482 E HA 0.134 nan 4.350 nan 0.000 0.285 482 E C -0.247 176.243 176.600 -0.183 0.000 1.043 482 E CA -1.055 55.172 56.400 -0.289 0.000 0.839 482 E CB 1.245 30.878 29.700 -0.112 0.000 1.069 482 E HN -0.209 8.549 8.360 0.259 -0.242 0.399 483 L N 5.938 127.020 121.223 -0.235 0.000 2.095 483 L HA -0.035 nan 4.340 nan 0.000 0.204 483 L C -0.460 176.375 176.870 -0.060 0.000 1.080 483 L CA 1.859 56.664 54.840 -0.058 0.000 0.759 483 L CB 0.445 42.525 42.059 0.036 0.000 0.914 483 L HN 0.451 8.443 8.230 -0.397 0.000 0.439 484 D N -5.479 114.837 120.400 -0.140 0.000 2.720 484 D HA 0.140 nan 4.640 nan 0.000 0.239 484 D C -2.788 173.509 176.300 -0.005 0.000 1.218 484 D CA -0.102 53.897 54.000 -0.002 0.000 0.748 484 D CB 3.288 44.184 40.800 0.160 0.000 1.387 484 D HN -0.637 7.554 8.370 -0.298 0.000 0.438 485 K N 2.255 122.714 120.400 0.098 0.000 2.535 485 K HA 0.761 nan 4.320 nan 0.000 0.250 485 K C -1.917 174.801 176.600 0.197 0.000 0.948 485 K CA -0.572 55.746 56.287 0.051 0.000 0.796 485 K CB 2.986 35.507 32.500 0.035 0.000 1.216 485 K HN -0.258 8.078 8.250 0.144 0.000 0.432 486 F N 1.311 121.286 119.950 0.042 0.000 2.713 486 F HA 0.318 nan 4.527 nan 0.000 0.311 486 F C -3.117 172.760 175.800 0.128 0.000 1.141 486 F CA -1.927 56.122 58.000 0.081 0.000 0.939 486 F CB 1.959 40.995 39.000 0.061 0.000 1.325 486 F HN 0.180 8.185 8.300 -0.492 0.000 0.453 487 F N 0.164 120.227 119.950 0.188 0.000 2.421 487 F HA 0.689 nan 4.527 nan 0.000 0.337 487 F C -2.196 173.724 175.800 0.199 0.000 1.105 487 F CA -1.122 56.900 58.000 0.036 0.000 1.049 487 F CB 2.141 41.036 39.000 -0.175 0.000 1.139 487 F HN -0.200 8.418 8.300 0.530 0.000 0.479 488 Y N 7.536 127.083 120.300 -1.255 0.000 2.562 488 Y HA 0.225 nan 4.550 nan 0.000 0.345 488 Y C -2.467 172.780 175.900 -1.088 0.000 1.045 488 Y CA -0.738 56.887 58.100 -0.793 0.000 1.028 488 Y CB 4.782 43.092 38.460 -0.250 0.000 1.297 488 Y HN 0.720 8.247 8.280 -1.256 0.000 0.463 489 T N 5.382 119.342 114.554 -0.991 0.000 2.823 489 T HA 0.641 nan 4.350 nan 0.000 0.279 489 T C -1.467 173.063 174.700 -0.283 0.000 0.998 489 T CA -0.617 61.157 62.100 -0.543 0.000 0.994 489 T CB 0.945 69.615 68.868 -0.330 0.000 0.960 489 T HN -0.003 7.258 8.240 -1.631 0.000 0.448 490 L N 6.291 127.425 121.223 -0.148 0.000 2.346 490 L HA 0.447 nan 4.340 nan 0.000 0.276 490 L C -0.534 176.310 176.870 -0.044 0.000 1.006 490 L CA -1.419 53.418 54.840 -0.005 0.000 0.817 490 L CB 2.463 44.541 42.059 0.031 0.000 1.272 490 L HN 1.022 8.998 8.230 -0.229 0.117 0.421 491 T N 0.023 114.572 114.554 -0.007 0.000 2.862 491 T HA 0.492 nan 4.350 nan 0.000 0.276 491 T C -2.155 172.547 174.700 0.004 0.000 0.974 491 T CA -3.140 58.952 62.100 -0.013 0.000 0.966 491 T CB -0.485 68.380 68.868 -0.004 0.000 1.072 491 T HN -0.247 8.171 8.240 0.026 -0.162 0.538 492 P HA -0.012 nan 4.420 nan 0.000 0.274 492 P C -0.899 176.408 177.300 0.011 0.000 1.231 492 P CA -0.023 63.082 63.100 0.008 0.000 0.790 492 P CB 0.271 31.974 31.700 0.005 0.000 0.951 493 G N 2.038 110.845 108.800 0.011 0.000 2.627 493 G HA2 -0.363 nan 3.960 nan 0.000 0.214 493 G HA3 -0.363 nan 3.960 nan 0.000 0.214 493 G C -1.747 173.161 174.900 0.014 0.000 1.331 493 G CA -0.583 44.523 45.100 0.010 0.000 0.891 493 G HN 0.046 8.343 8.290 0.011 0.000 0.539 494 K N 1.088 121.495 120.400 0.012 0.000 2.237 494 K HA 0.270 nan 4.320 nan 0.000 0.270 494 K C -0.716 175.894 176.600 0.016 0.000 1.015 494 K CA 0.518 56.812 56.287 0.011 0.000 0.949 494 K CB 0.821 33.325 32.500 0.008 0.000 0.976 494 K HN 0.104 8.360 8.250 0.010 0.000 0.472 495 N N 2.332 121.040 118.700 0.014 0.000 2.242 495 N HA 0.313 nan 4.740 nan 0.000 0.292 495 N C -2.230 173.275 175.510 -0.008 0.000 1.125 495 N CA -0.683 52.380 53.050 0.022 0.000 0.783 495 N CB 5.092 43.608 38.487 0.049 0.000 1.558 495 N HN 0.314 8.698 8.380 0.007 0.000 0.472 496 T N -2.332 112.212 114.554 -0.016 0.000 2.840 496 T HA 0.582 nan 4.350 nan 0.000 0.287 496 T C -0.881 173.747 174.700 -0.119 0.000 0.991 496 T CA -1.437 60.634 62.100 -0.049 0.000 0.964 496 T CB 1.143 69.999 68.868 -0.021 0.000 0.954 496 T HN 0.126 8.372 8.240 0.010 0.000 0.438 497 I N 6.814 127.261 120.570 -0.205 0.000 2.378 497 I HA 0.338 nan 4.170 nan 0.000 0.291 497 I C -1.401 174.610 176.117 -0.177 0.000 0.992 497 I CA -0.852 60.209 61.300 -0.399 0.000 1.154 497 I CB 2.513 40.145 38.000 -0.613 0.000 1.315 497 I HN 0.772 8.785 8.210 -0.146 0.110 0.448 498 V N 7.401 127.230 119.914 -0.141 0.000 2.555 498 V HA 0.554 nan 4.120 nan 0.000 0.302 498 V C -1.248 174.791 176.094 -0.092 0.000 1.038 498 V CA -1.525 60.742 62.300 -0.054 0.000 0.887 498 V CB 1.825 33.629 31.823 -0.033 0.000 0.991 498 V HN 0.281 8.370 8.190 -0.169 0.000 0.434 499 R N 7.724 128.197 120.500 -0.045 0.000 2.725 499 R HA 0.474 nan 4.340 nan 0.000 0.277 499 R C -2.293 173.969 176.300 -0.064 0.000 0.987 499 R CA -2.567 53.442 56.100 -0.151 0.000 0.901 499 R CB 4.148 34.234 30.300 -0.357 0.000 1.207 499 R HN 0.223 8.530 8.270 0.062 0.000 0.463 500 N N 3.477 122.083 118.700 -0.156 0.000 2.466 500 N HA 0.358 nan 4.740 nan 0.000 0.294 500 N C 1.134 176.483 175.510 -0.268 0.000 1.129 500 N CA -1.411 51.511 53.050 -0.212 0.000 0.931 500 N CB 1.484 39.821 38.487 -0.250 0.000 1.193 500 N HN 0.352 8.610 8.380 -0.204 0.000 0.500 501 H N 0.510 119.304 119.070 -0.459 0.000 2.421 501 H HA -0.309 nan 4.556 nan 0.000 0.298 501 H C 2.134 177.315 175.328 -0.245 0.000 1.087 501 H CA 3.717 59.453 56.048 -0.520 0.000 1.330 501 H CB -0.044 28.949 29.762 -1.281 0.000 1.388 501 H HN 0.578 8.591 8.280 -0.446 0.000 0.526 502 Q N -1.153 117.944 119.800 -1.172 0.000 2.135 502 Q HA -0.335 nan 4.340 nan 0.000 0.204 502 Q C 0.800 176.598 176.000 -0.336 0.000 0.981 502 Q CA 2.612 57.943 55.803 -0.787 0.000 0.856 502 Q CB -0.839 27.525 28.738 -0.623 0.000 0.902 502 Q HN 0.342 7.855 8.270 -1.206 0.033 0.425 503 D N -2.564 117.670 120.400 -0.276 0.000 2.310 503 D HA -0.012 nan 4.640 nan 0.000 0.212 503 D C 0.480 176.716 176.300 -0.107 0.000 0.965 503 D CA 0.544 54.438 54.000 -0.177 0.000 0.879 503 D CB 0.165 40.847 40.800 -0.196 0.000 0.921 503 D HN -0.604 7.644 8.370 -0.325 -0.073 0.510 504 S N 0.722 116.382 115.700 -0.067 0.000 2.810 504 S HA -0.352 nan 4.470 nan 0.000 0.329 504 S C 0.821 175.410 174.600 -0.018 0.000 1.231 504 S CA 0.611 58.814 58.200 0.004 0.000 1.042 504 S CB 0.338 63.576 63.200 0.064 0.000 0.756 504 S HN -0.473 7.587 8.310 -0.098 0.191 0.504 505 S N 8.720 124.411 115.700 -0.014 0.000 2.453 505 S HA -0.170 nan 4.470 nan 0.000 0.231 505 S C 1.621 176.156 174.600 -0.107 0.000 1.005 505 S CA 3.255 61.435 58.200 -0.033 0.000 0.949 505 S CB 0.109 63.306 63.200 -0.005 0.000 0.774 505 S HN 0.141 8.752 8.310 0.019 -0.290 0.510 506 V N -6.278 113.518 119.914 -0.197 0.000 2.719 506 V HA 0.046 nan 4.120 nan 0.000 0.252 506 V C -0.518 175.488 176.094 -0.146 0.000 1.065 506 V CA 1.444 63.475 62.300 -0.448 0.000 1.086 506 V CB -0.832 30.617 31.823 -0.623 0.000 0.700 506 V HN -0.633 7.442 8.190 -0.138 0.033 0.467 507 T N -3.846 110.705 114.554 -0.006 0.000 2.945 507 T HA 0.539 nan 4.350 nan 0.000 0.286 507 T C -1.392 173.337 174.700 0.048 0.000 1.025 507 T CA -2.698 59.452 62.100 0.084 0.000 1.039 507 T CB 2.421 71.353 68.868 0.105 0.000 1.068 507 T HN -0.713 7.473 8.240 -0.023 0.040 0.497 508 I N 2.298 122.901 120.570 0.054 0.000 2.416 508 I HA 0.066 nan 4.170 nan 0.000 0.288 508 I C 0.011 176.109 176.117 -0.032 0.000 1.051 508 I CA -2.023 59.280 61.300 0.005 0.000 1.375 508 I CB 1.746 39.752 38.000 0.010 0.000 1.407 508 I HN 0.130 8.385 8.210 0.076 0.000 0.516 509 S N 9.475 125.133 115.700 -0.070 0.000 2.383 509 S HA -0.228 nan 4.470 nan 0.000 0.227 509 S C -0.140 174.408 174.600 -0.087 0.000 1.026 509 S CA 2.369 60.520 58.200 -0.081 0.000 0.981 509 S CB 0.457 63.594 63.200 -0.104 0.000 0.818 509 S HN 0.426 8.942 8.310 -0.083 -0.255 0.472 510 K N -1.302 119.022 120.400 -0.126 0.000 2.589 510 K HA -0.007 nan 4.320 nan 0.000 0.265 510 K C -2.311 174.190 176.600 -0.166 0.000 0.935 510 K CA -0.053 56.162 56.287 -0.120 0.000 0.850 510 K CB 2.149 34.579 32.500 -0.117 0.000 1.372 510 K HN -0.798 7.353 8.250 -0.166 0.000 0.420 511 V N 2.214 122.063 119.914 -0.109 0.000 2.417 511 V HA 0.180 nan 4.120 nan 0.000 0.291 511 V C -0.758 175.300 176.094 -0.060 0.000 1.024 511 V CA -1.810 60.426 62.300 -0.106 0.000 0.861 511 V CB 1.544 33.324 31.823 -0.072 0.000 0.985 511 V HN 0.103 8.250 8.190 -0.072 0.000 0.436 512 R N 6.781 127.283 120.500 0.004 0.000 2.441 512 R HA 0.208 nan 4.340 nan 0.000 0.284 512 R C -0.276 175.991 176.300 -0.055 0.000 1.070 512 R CA -0.729 55.388 56.100 0.028 0.000 1.047 512 R CB 0.468 30.860 30.300 0.153 0.000 1.016 512 R HN 0.083 8.391 8.270 0.063 0.000 0.477 513 T N 0.088 114.607 114.554 -0.058 0.000 2.810 513 T HA 0.281 nan 4.350 nan 0.000 0.277 513 T C 1.197 175.810 174.700 -0.144 0.000 0.973 513 T CA -0.961 61.088 62.100 -0.084 0.000 0.949 513 T CB 1.763 70.634 68.868 0.005 0.000 1.075 513 T HN 0.012 8.236 8.240 -0.026 0.000 0.537 514 F N 0.940 120.738 119.950 -0.254 0.000 2.126 514 F HA -0.333 nan 4.527 nan 0.000 0.299 514 F C 1.737 177.420 175.800 -0.195 0.000 1.096 514 F CA 4.894 62.666 58.000 -0.379 0.000 1.255 514 F CB -0.028 38.346 39.000 -1.043 0.000 0.997 514 F HN 0.136 8.699 8.300 -0.013 -0.270 0.479 515 D N -2.246 118.221 120.400 0.112 0.000 2.117 515 D HA -0.270 nan 4.640 nan 0.000 0.197 515 D C 2.550 178.871 176.300 0.035 0.000 0.987 515 D CA 3.888 57.943 54.000 0.093 0.000 0.829 515 D CB -0.656 40.199 40.800 0.091 0.000 0.961 515 D HN -0.456 7.997 8.370 0.142 0.002 0.460 516 Q N -0.860 118.946 119.800 0.009 0.000 2.050 516 Q HA -0.260 nan 4.340 nan 0.000 0.202 516 Q C 2.488 178.474 176.000 -0.024 0.000 0.980 516 Q CA 2.936 58.736 55.803 -0.005 0.000 0.840 516 Q CB -0.018 28.717 28.738 -0.004 0.000 0.898 516 Q HN -0.789 7.312 8.270 0.001 0.169 0.424 517 L N -2.216 118.972 121.223 -0.058 0.000 2.056 517 L HA -0.264 nan 4.340 nan 0.000 0.207 517 L C 2.411 179.248 176.870 -0.055 0.000 1.078 517 L CA 2.068 56.849 54.840 -0.098 0.000 0.749 517 L CB -0.330 41.623 42.059 -0.176 0.000 0.901 517 L HN -0.194 7.907 8.230 -0.069 0.087 0.433 518 G N -2.080 106.715 108.800 -0.008 0.000 2.442 518 G HA2 -0.314 nan 3.960 nan 0.000 0.219 518 G HA3 -0.314 nan 3.960 nan 0.000 0.219 518 G C 0.131 175.029 174.900 -0.003 0.000 1.141 518 G CA 0.818 45.925 45.100 0.013 0.000 0.763 518 G HN -0.011 8.284 8.290 0.007 0.000 0.554 519 A N 1.755 124.571 122.820 -0.006 0.000 1.994 519 A HA -0.032 nan 4.320 nan 0.000 0.202 519 A C -0.070 177.500 177.584 -0.024 0.000 1.286 519 A CA 0.879 52.910 52.037 -0.011 0.000 0.653 519 A CB 0.711 19.706 19.000 -0.008 0.000 0.926 519 A HN -0.540 7.528 8.150 -0.002 0.081 0.494 520 G N -2.250 106.531 108.800 -0.032 0.000 2.194 520 G HA2 -0.108 nan 3.960 nan 0.000 0.178 520 G HA3 -0.108 nan 3.960 nan 0.000 0.178 520 G C -1.701 173.178 174.900 -0.035 0.000 2.173 520 G CA -0.289 44.784 45.100 -0.045 0.000 1.042 520 G HN -0.134 8.141 8.290 -0.026 0.000 0.588 521 E N 2.285 122.467 120.200 -0.031 0.000 2.405 521 E HA 0.327 nan 4.350 nan 0.000 0.249 521 E C -0.573 176.025 176.600 -0.002 0.000 1.028 521 E CA -1.194 55.202 56.400 -0.007 0.000 0.897 521 E CB 1.540 31.253 29.700 0.021 0.000 1.262 521 E HN -0.046 8.287 8.360 -0.045 0.000 0.442 522 G N -0.168 108.643 108.800 0.018 0.000 4.566 522 G HA2 0.236 nan 3.960 nan 0.000 0.276 522 G HA3 0.236 nan 3.960 nan 0.000 0.276 522 G C -1.481 173.434 174.900 0.026 0.000 1.248 522 G CA 0.142 45.248 45.100 0.011 0.000 0.858 522 G HN 0.325 8.629 8.290 0.024 0.000 0.549 523 V N 0.488 120.449 119.914 0.079 0.000 3.604 523 V HA 0.338 nan 4.120 nan 0.000 0.277 523 V C 0.474 176.595 176.094 0.046 0.000 1.399 523 V CA -0.613 61.720 62.300 0.054 0.000 1.034 523 V CB 0.111 31.966 31.823 0.054 0.000 0.824 523 V HN 0.078 8.344 8.190 0.127 0.000 0.439 524 S N 0.376 116.139 115.700 0.106 0.000 3.896 524 S HA 0.142 nan 4.470 nan 0.000 0.187 524 S C -1.040 173.610 174.600 0.084 0.000 1.007 524 S CA -0.763 57.480 58.200 0.072 0.000 1.499 524 S CB 1.998 65.210 63.200 0.020 0.000 0.986 524 S HN -0.611 7.784 8.310 0.142 0.000 0.827 525 E N 2.292 122.504 120.200 0.020 0.000 3.108 525 E HA 0.226 nan 4.350 nan 0.000 0.228 525 E C -1.663 174.894 176.600 -0.071 0.000 1.176 525 E CA -0.904 55.458 56.400 -0.064 0.000 0.881 525 E CB 1.044 30.693 29.700 -0.085 0.000 1.354 525 E HN 0.151 8.520 8.360 0.016 0.000 0.400 526 D N 1.168 121.539 120.400 -0.049 0.000 3.435 526 D HA 0.189 nan 4.640 nan 0.000 0.209 526 D C -0.827 175.422 176.300 -0.085 0.000 1.157 526 D CA -0.181 53.811 54.000 -0.013 0.000 1.322 526 D CB 2.259 43.120 40.800 0.100 0.000 0.924 526 D HN 0.052 8.357 8.370 -0.108 0.000 0.180 527 S N -1.565 114.109 115.700 -0.044 0.000 3.070 527 S HA 0.221 nan 4.470 nan 0.000 0.320 527 S C 1.395 175.938 174.600 -0.095 0.000 1.215 527 S CA -0.501 57.635 58.200 -0.107 0.000 0.956 527 S CB 2.043 65.163 63.200 -0.134 0.000 1.337 527 S HN -0.156 8.203 8.310 0.080 0.000 0.639 528 T N 3.811 118.296 114.554 -0.116 0.000 2.881 528 T HA -0.176 nan 4.350 nan 0.000 0.270 528 T C 1.247 175.881 174.700 -0.110 0.000 1.068 528 T CA 4.188 66.252 62.100 -0.060 0.000 1.131 528 T CB -0.142 68.714 68.868 -0.021 0.000 0.871 528 T HN 0.599 8.741 8.240 -0.163 0.000 0.479 529 E N -0.330 119.804 120.200 -0.109 0.000 2.274 529 E HA -0.255 nan 4.350 nan 0.000 0.194 529 E C 1.883 178.416 176.600 -0.112 0.000 0.996 529 E CA 1.838 58.172 56.400 -0.111 0.000 0.840 529 E CB -1.400 28.264 29.700 -0.061 0.000 0.772 529 E HN -0.099 8.168 8.360 -0.115 0.024 0.491 530 Y N 2.612 122.795 120.300 -0.195 0.000 2.029 530 Y HA -0.504 nan 4.550 nan 0.000 0.269 530 Y C -0.231 175.579 175.900 -0.151 0.000 1.201 530 Y CA 3.567 61.572 58.100 -0.158 0.000 1.115 530 Y CB 0.136 38.496 38.460 -0.166 0.000 0.945 530 Y HN -0.319 7.763 8.280 0.018 0.208 0.497 531 C N -7.417 111.762 119.300 -0.202 0.000 3.730 531 C HA 0.234 nan 4.460 nan 0.000 0.397 531 C C 0.724 175.588 174.990 -0.209 0.000 1.468 531 C CA -2.225 56.585 59.018 -0.347 0.000 1.931 531 C CB 0.222 27.827 27.740 -0.226 0.000 2.773 531 C HN 0.253 8.465 8.230 -0.031 0.000 0.692 532 S N 2.657 118.174 115.700 -0.304 0.000 2.361 532 S HA -0.205 nan 4.470 nan 0.000 0.214 532 S C 0.456 174.914 174.600 -0.236 0.000 1.034 532 S CA 2.572 60.402 58.200 -0.617 0.000 1.025 532 S CB 0.104 62.374 63.200 -1.550 0.000 0.996 532 S HN -0.235 7.895 8.310 -0.300 0.000 0.422 533 C N -0.511 118.675 119.300 -0.189 0.000 2.876 533 C HA -0.099 nan 4.460 nan 0.000 0.276 533 C C 0.126 175.340 174.990 0.375 0.000 1.582 533 C CA 1.499 60.655 59.018 0.230 0.000 2.061 533 C CB 0.545 28.389 27.740 0.172 0.000 2.044 533 C HN -0.293 7.633 8.230 -0.291 0.130 0.647 534 G N -0.594 108.553 108.800 0.578 0.000 2.722 534 G HA2 -0.335 nan 3.960 nan 0.000 0.686 534 G HA3 -0.335 nan 3.960 nan 0.000 0.686 534 G C -1.407 173.700 174.900 0.345 0.000 1.282 534 G CA -0.546 44.803 45.100 0.416 0.000 0.817 534 G HN 0.120 8.806 8.290 0.661 0.000 0.605 535 W N 2.030 123.302 121.300 -0.046 0.000 2.190 535 W HA 0.033 nan 4.660 nan 0.000 0.330 535 W C -1.335 175.135 176.519 -0.082 0.000 1.299 535 W CA -1.758 55.484 57.345 -0.173 0.000 1.215 535 W CB 1.175 30.671 29.460 0.059 0.000 1.147 535 W HN 0.575 8.999 8.180 0.406 0.000 0.563 536 P HA -0.174 nan 4.420 nan 0.000 0.265 536 P C -0.960 176.177 177.300 -0.271 0.000 1.193 536 P CA 0.348 63.240 63.100 -0.346 0.000 0.765 536 P CB 0.384 31.737 31.700 -0.578 0.000 0.823 537 E N 4.113 124.247 120.200 -0.110 0.000 2.077 537 E HA -0.400 nan 4.350 nan 0.000 0.193 537 E C 2.034 178.666 176.600 0.054 0.000 0.989 537 E CA 3.465 59.889 56.400 0.041 0.000 0.800 537 E CB 0.057 29.799 29.700 0.069 0.000 0.746 537 E HN 0.720 9.036 8.360 -0.072 0.000 0.452 538 H N -3.385 115.708 119.070 0.039 0.000 2.421 538 H HA -0.167 nan 4.556 nan 0.000 0.298 538 H C 1.798 177.274 175.328 0.248 0.000 1.087 538 H CA 2.410 58.503 56.048 0.074 0.000 1.330 538 H CB -0.738 29.060 29.762 0.061 0.000 1.388 538 H HN 0.225 8.456 8.280 -0.083 0.000 0.526 539 M N -1.987 117.529 119.600 -0.140 0.000 2.630 539 M HA -0.094 nan 4.480 nan 0.000 0.254 539 M C 1.693 178.199 176.300 0.344 0.000 1.092 539 M CA -0.394 54.963 55.300 0.094 0.000 1.087 539 M CB -1.518 30.986 32.600 -0.160 0.000 1.453 539 M HN -0.696 7.177 8.290 -0.617 0.047 0.509 540 L N -0.036 121.410 121.223 0.372 0.000 2.043 540 L HA -0.275 nan 4.340 nan 0.000 0.212 540 L C -0.452 176.538 176.870 0.199 0.000 1.075 540 L CA 2.936 57.983 54.840 0.344 0.000 0.752 540 L CB 0.233 42.531 42.059 0.398 0.000 0.891 540 L HN -0.511 7.770 8.230 0.379 0.176 0.432 541 I N -4.622 116.008 120.570 0.099 0.000 2.797 541 I HA 0.201 nan 4.170 nan 0.000 0.307 541 I C -1.986 174.150 176.117 0.032 0.000 1.033 541 I CA -3.558 57.716 61.300 -0.044 0.000 1.071 541 I CB 0.828 38.681 38.000 -0.245 0.000 1.255 541 I HN -0.523 7.791 8.210 0.185 0.008 0.445 542 P HA 0.074 nan 4.420 nan 0.000 0.272 542 P C -1.425 175.889 177.300 0.024 0.000 1.240 542 P CA -0.622 62.474 63.100 -0.007 0.000 0.791 542 P CB 0.640 32.271 31.700 -0.115 0.000 0.978 543 R N 0.288 120.844 120.500 0.094 0.000 2.081 543 R HA -0.290 nan 4.340 nan 0.000 0.235 543 R C 0.691 177.047 176.300 0.093 0.000 1.131 543 R CA 1.124 57.247 56.100 0.038 0.000 0.960 543 R CB 0.582 30.750 30.300 -0.221 0.000 0.856 543 R HN -0.110 8.492 8.270 0.159 -0.236 0.436 544 G N -2.131 106.744 108.800 0.125 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 -1.008 173.980 174.900 0.147 0.000 1.312 544 G CA -0.324 44.906 45.100 0.217 0.000 0.896 544 G HN -0.667 7.703 8.290 0.132 0.000 0.574 545 S N -0.560 115.236 115.700 0.159 0.000 2.685 545 S HA 0.307 nan 4.470 nan 0.000 0.282 545 S C 0.206 174.921 174.600 0.191 0.000 1.159 545 S CA -1.582 56.705 58.200 0.144 0.000 0.833 545 S CB 2.844 66.088 63.200 0.074 0.000 1.151 545 S HN -0.400 8.015 8.310 0.174 0.000 0.485 546 H N 4.137 123.285 119.070 0.130 0.000 2.421 546 H HA -0.225 nan 4.556 nan 0.000 0.298 546 H C -0.558 174.810 175.328 0.066 0.000 1.087 546 H CA 3.203 59.319 56.048 0.113 0.000 1.330 546 H CB 0.335 30.145 29.762 0.080 0.000 1.388 546 H HN 0.703 9.152 8.280 0.281 0.000 0.526 547 K N -5.596 114.886 120.400 0.135 0.000 2.211 547 K HA -0.183 nan 4.320 nan 0.000 0.203 547 K C 0.161 176.771 176.600 0.017 0.000 1.050 547 K CA 0.299 56.624 56.287 0.064 0.000 0.945 547 K CB -0.147 32.369 32.500 0.027 0.000 0.732 547 K HN -0.221 8.117 8.250 0.165 0.012 0.451 548 G N 0.836 109.655 108.800 0.031 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 -1.384 173.553 174.900 0.061 0.000 1.013 548 G CA -0.532 44.596 45.100 0.046 0.000 1.226 548 G HN -0.424 7.716 8.290 0.056 0.183 0.563 549 M N 2.102 121.764 119.600 0.104 0.000 2.243 549 M HA -0.046 nan 4.480 nan 0.000 0.341 549 M C -1.497 174.875 176.300 0.120 0.000 1.130 549 M CA 0.545 55.876 55.300 0.052 0.000 1.162 549 M CB 2.195 34.840 32.600 0.075 0.000 1.497 549 M HN 0.077 8.462 8.290 0.157 0.000 0.456 550 E N 3.215 123.439 120.200 0.039 0.000 2.227 550 E HA 0.548 nan 4.350 nan 0.000 0.282 550 E C -0.882 175.604 176.600 -0.190 0.000 1.015 550 E CA -0.180 56.273 56.400 0.087 0.000 0.823 550 E CB 1.328 31.133 29.700 0.175 0.000 1.081 550 E HN 0.225 8.607 8.360 0.037 0.000 0.396 551 F N 3.213 123.202 119.950 0.065 0.000 2.576 551 F HA 0.540 nan 4.527 nan 0.000 0.313 551 F C -1.599 174.230 175.800 0.048 0.000 1.078 551 F CA -1.368 56.656 58.000 0.039 0.000 0.921 551 F CB 4.372 43.387 39.000 0.025 0.000 1.232 551 F HN 0.608 9.090 8.300 0.302 0.000 0.459 552 E N 1.522 121.857 120.200 0.224 0.000 2.313 552 E HA 0.432 nan 4.350 nan 0.000 0.276 552 E C -1.838 174.936 176.600 0.290 0.000 1.031 552 E CA -0.832 55.699 56.400 0.220 0.000 0.857 552 E CB 2.403 32.232 29.700 0.216 0.000 1.040 552 E HN 0.818 9.184 8.360 0.166 0.093 0.408 553 L N 6.897 128.274 121.223 0.256 0.000 2.305 553 L HA 0.639 nan 4.340 nan 0.000 0.284 553 L C -2.269 174.776 176.870 0.291 0.000 1.013 553 L CA -0.794 54.192 54.840 0.244 0.000 0.819 553 L CB 2.353 44.507 42.059 0.159 0.000 1.227 553 L HN 0.401 8.659 8.230 0.214 0.101 0.417 554 F N 9.499 129.566 119.950 0.195 0.000 2.482 554 F HA 0.674 nan 4.527 nan 0.000 0.331 554 F C -2.410 173.475 175.800 0.142 0.000 1.115 554 F CA -1.922 56.193 58.000 0.192 0.000 0.955 554 F CB 3.544 42.708 39.000 0.274 0.000 1.136 554 F HN 0.763 9.325 8.300 0.438 0.000 0.452 555 V N 8.458 128.007 119.914 -0.609 0.000 2.588 555 V HA 0.721 nan 4.120 nan 0.000 0.304 555 V C -2.531 173.140 176.094 -0.705 0.000 1.042 555 V CA -1.440 60.595 62.300 -0.442 0.000 0.877 555 V CB 2.951 34.609 31.823 -0.275 0.000 0.996 555 V HN 0.991 8.694 8.190 -0.811 0.000 0.425 556 M N 5.541 124.923 119.600 -0.364 0.000 2.457 556 M HA 0.855 nan 4.480 nan 0.000 0.300 556 M C -2.647 173.578 176.300 -0.124 0.000 1.141 556 M CA -1.286 53.873 55.300 -0.235 0.000 0.901 556 M CB 4.397 37.016 32.600 0.032 0.000 1.687 556 M HN 0.669 8.852 8.290 -0.178 0.000 0.449 557 L N 5.233 126.393 121.223 -0.105 0.000 2.346 557 L HA 0.691 nan 4.340 nan 0.000 0.276 557 L C -1.709 175.098 176.870 -0.105 0.000 1.006 557 L CA -0.750 54.008 54.840 -0.137 0.000 0.817 557 L CB 1.951 43.913 42.059 -0.161 0.000 1.272 557 L HN 0.435 8.611 8.230 -0.091 0.000 0.421 558 T N 2.230 116.683 114.554 -0.167 0.000 2.916 558 T HA 0.343 nan 4.350 nan 0.000 0.292 558 T C -1.925 172.541 174.700 -0.390 0.000 1.064 558 T CA -1.672 60.337 62.100 -0.152 0.000 1.011 558 T CB 3.252 72.107 68.868 -0.022 0.000 1.152 558 T HN -0.009 8.111 8.240 -0.200 0.000 0.510 559 D N 1.175 121.367 120.400 -0.345 0.000 2.358 559 D HA 0.045 nan 4.640 nan 0.000 0.258 559 D C 0.399 176.663 176.300 -0.060 0.000 1.223 559 D CA -0.537 53.266 54.000 -0.327 0.000 0.886 559 D CB 0.556 41.483 40.800 0.212 0.000 1.120 559 D HN 0.379 8.701 8.370 -0.079 0.000 0.482 560 H N 8.654 127.697 119.070 -0.046 0.000 2.389 560 H HA -0.331 nan 4.556 nan 0.000 0.299 560 H C 1.728 177.081 175.328 0.042 0.000 1.081 560 H CA 4.087 60.184 56.048 0.082 0.000 1.345 560 H CB 0.633 30.613 29.762 0.363 0.000 1.393 560 H HN 0.246 8.571 8.280 0.075 0.000 0.520 561 D N -0.537 119.936 120.400 0.121 0.000 2.123 561 D HA -0.263 nan 4.640 nan 0.000 0.196 561 D C 1.794 178.058 176.300 -0.059 0.000 0.992 561 D CA 3.117 57.137 54.000 0.033 0.000 0.833 561 D CB -0.498 40.366 40.800 0.108 0.000 0.954 561 D HN -0.112 8.679 8.370 0.220 -0.289 0.455 562 E N -0.890 119.291 120.200 -0.031 0.000 2.047 562 E HA -0.221 nan 4.350 nan 0.000 0.191 562 E C 1.269 177.789 176.600 -0.132 0.000 0.987 562 E CA 2.190 58.556 56.400 -0.057 0.000 0.799 562 E CB 0.231 29.916 29.700 -0.026 0.000 0.752 562 E HN -0.480 7.892 8.360 0.024 0.002 0.449 563 D N -2.054 118.230 120.400 -0.193 0.000 2.144 563 D HA -0.137 nan 4.640 nan 0.000 0.199 563 D C 0.255 176.383 176.300 -0.286 0.000 0.984 563 D CA 1.862 55.724 54.000 -0.230 0.000 0.834 563 D CB 0.442 41.109 40.800 -0.222 0.000 0.955 563 D HN -0.469 7.737 8.370 -0.166 0.065 0.465 564 T N -0.965 113.312 114.554 -0.461 0.000 2.882 564 T HA 0.065 nan 4.350 nan 0.000 0.287 564 T C -0.022 174.560 174.700 -0.197 0.000 1.014 564 T CA 0.092 61.969 62.100 -0.372 0.000 1.049 564 T CB 0.851 69.431 68.868 -0.481 0.000 1.001 564 T HN -0.300 7.592 8.240 -0.579 0.000 0.525 565 V N -0.165 119.670 119.914 -0.131 0.000 2.834 565 V HA 0.396 nan 4.120 nan 0.000 0.313 565 V C -1.032 175.020 176.094 -0.070 0.000 1.060 565 V CA -2.910 59.343 62.300 -0.079 0.000 0.989 565 V CB 1.374 33.169 31.823 -0.046 0.000 1.041 565 V HN 0.111 8.222 8.190 -0.131 0.000 0.459 566 A N 2.183 124.973 122.820 -0.050 0.000 2.325 566 A HA 0.573 nan 4.320 nan 0.000 0.333 566 A C -0.630 176.937 177.584 -0.028 0.000 1.155 566 A CA -0.396 51.615 52.037 -0.043 0.000 0.814 566 A CB 1.622 20.599 19.000 -0.037 0.000 1.206 566 A HN 0.371 8.497 8.150 -0.041 0.000 0.482 567 G N -1.073 107.711 108.800 -0.026 0.000 2.322 567 G HA2 0.083 nan 3.960 nan 0.000 0.295 567 G HA3 0.083 nan 3.960 nan 0.000 0.295 567 G C -1.970 172.920 174.900 -0.017 0.000 1.369 567 G CA -0.201 44.890 45.100 -0.015 0.000 0.821 567 G HN -0.123 8.147 8.290 -0.033 0.000 0.536 568 L N 0.836 122.053 121.223 -0.010 0.000 2.377 568 L HA 0.406 nan 4.340 nan 0.000 0.270 568 L C -0.483 176.383 176.870 -0.008 0.000 0.991 568 L CA 0.216 55.049 54.840 -0.012 0.000 0.851 568 L CB 0.996 43.049 42.059 -0.009 0.000 1.218 568 L HN 0.256 8.484 8.230 -0.004 0.000 0.420 569 S N 3.634 119.326 115.700 -0.012 0.000 4.225 569 S HA 0.201 nan 4.470 nan 0.000 0.215 569 S C -1.005 173.588 174.600 -0.012 0.000 1.051 569 S CA -0.906 57.289 58.200 -0.009 0.000 1.729 569 S CB 1.027 64.221 63.200 -0.010 0.000 0.892 569 S HN 0.343 8.642 8.310 -0.018 0.000 0.720 570 E N 1.257 121.448 120.200 -0.015 0.000 2.405 570 E HA 0.181 nan 4.350 nan 0.000 0.249 570 E C -0.849 175.738 176.600 -0.021 0.000 1.028 570 E CA -0.671 55.719 56.400 -0.017 0.000 0.897 570 E CB 1.521 31.212 29.700 -0.015 0.000 1.262 570 E HN 0.146 8.496 8.360 -0.016 0.000 0.442 571 N N -0.900 117.787 118.700 -0.021 0.000 2.235 571 N HA -0.106 nan 4.740 nan 0.000 0.231 571 N C -1.184 174.311 175.510 -0.024 0.000 1.330 571 N CA -0.079 52.957 53.050 -0.023 0.000 0.898 571 N CB 0.456 38.929 38.487 -0.023 0.000 1.151 571 N HN -0.100 8.268 8.380 -0.020 0.000 0.472 572 A N -0.564 122.241 122.820 -0.025 0.000 2.476 572 A HA 0.005 nan 4.320 nan 0.000 0.275 572 A C -1.279 176.292 177.584 -0.022 0.000 1.133 572 A CA 0.558 52.580 52.037 -0.025 0.000 0.797 572 A CB -0.235 18.750 19.000 -0.026 0.000 1.081 572 A HN 0.104 8.239 8.150 -0.025 0.000 0.510 573 V N 1.592 121.493 119.914 -0.022 0.000 3.528 573 V HA 0.300 nan 4.120 nan 0.000 0.301 573 V C -0.582 175.500 176.094 -0.020 0.000 1.332 573 V CA -2.279 60.010 62.300 -0.018 0.000 1.004 573 V CB 3.799 35.611 31.823 -0.019 0.000 1.222 573 V HN -0.124 8.052 8.190 -0.024 0.000 0.478 574 C N 1.674 120.964 119.300 -0.017 0.000 2.551 574 C HA 0.218 nan 4.460 nan 0.000 0.378 574 C C 0.526 175.509 174.990 -0.013 0.000 1.101 574 C CA 0.306 59.311 59.018 -0.021 0.000 1.360 574 C CB -3.022 24.708 27.740 -0.016 0.000 1.895 574 C HN 0.465 8.686 8.230 -0.014 0.000 0.540 575 S N 6.591 122.280 115.700 -0.019 0.000 2.679 575 S HA 0.090 nan 4.470 nan 0.000 0.258 575 S C 1.141 175.732 174.600 -0.014 0.000 1.068 575 S CA 1.122 59.313 58.200 -0.015 0.000 1.115 575 S CB 1.386 64.572 63.200 -0.024 0.000 1.078 575 S HN 0.417 8.683 8.310 -0.028 0.028 0.603 576 D N 3.812 124.198 120.400 -0.023 0.000 2.370 576 D HA -0.349 nan 4.640 nan 0.000 0.190 576 D C -0.446 175.847 176.300 -0.011 0.000 1.019 576 D CA 2.973 56.957 54.000 -0.027 0.000 0.869 576 D CB -0.048 40.723 40.800 -0.048 0.000 0.944 576 D HN 0.365 8.715 8.370 -0.032 0.000 0.456 577 A N -3.277 119.550 122.820 0.012 0.000 2.462 577 A HA 0.224 nan 4.320 nan 0.000 0.261 577 A C 1.185 178.818 177.584 0.080 0.000 1.323 577 A CA -0.523 51.542 52.037 0.047 0.000 0.913 577 A CB -0.299 18.762 19.000 0.102 0.000 1.028 577 A HN -0.182 7.963 8.150 0.011 0.011 0.511 578 V N -2.887 117.052 119.914 0.041 0.000 2.370 578 V HA -0.543 nan 4.120 nan 0.000 0.252 578 V C 1.926 178.094 176.094 0.124 0.000 1.068 578 V CA 3.415 65.740 62.300 0.043 0.000 1.061 578 V CB -1.348 30.432 31.823 -0.072 0.000 0.656 578 V HN -0.199 7.915 8.190 0.012 0.083 0.455 579 S N 2.117 117.854 115.700 0.062 0.000 2.374 579 S HA -0.343 nan 4.470 nan 0.000 0.227 579 S C 2.102 176.940 174.600 0.397 0.000 1.037 579 S CA 3.906 62.174 58.200 0.113 0.000 1.024 579 S CB -0.050 63.044 63.200 -0.175 0.000 0.861 579 S HN -0.455 7.817 8.310 -0.018 0.027 0.456 580 Y N -1.326 119.181 120.300 0.344 0.000 2.558 580 Y HA 0.159 nan 4.550 nan 0.000 0.273 580 Y C 1.550 177.754 175.900 0.508 0.000 1.100 580 Y CA 0.177 58.525 58.100 0.414 0.000 1.276 580 Y CB -0.007 38.649 38.460 0.328 0.000 1.196 580 Y HN -0.720 7.678 8.280 0.230 0.020 0.527 581 C N -3.793 115.864 119.300 0.594 0.000 2.504 581 C HA 0.094 nan 4.460 nan 0.000 0.279 581 C C 0.316 175.556 174.990 0.418 0.000 1.358 581 C CA 1.880 61.196 59.018 0.497 0.000 1.747 581 C CB -0.085 27.879 27.740 0.373 0.000 2.037 581 C HN -0.320 8.198 8.230 0.480 0.000 0.503 582 G N -1.157 107.875 108.800 0.388 0.000 2.660 582 G HA2 -0.316 nan 3.960 nan 0.000 0.215 582 G HA3 -0.316 nan 3.960 nan 0.000 0.215 582 G C -2.396 172.591 174.900 0.145 0.000 1.345 582 G CA -0.588 44.713 45.100 0.335 0.000 0.877 582 G HN -0.350 8.029 8.290 0.363 0.129 0.549 583 A N -0.254 122.617 122.820 0.085 0.000 2.380 583 A HA 0.306 nan 4.320 nan 0.000 0.315 583 A C -0.917 176.675 177.584 0.015 0.000 1.101 583 A CA -1.551 50.500 52.037 0.023 0.000 0.771 583 A CB 2.583 21.573 19.000 -0.018 0.000 1.287 583 A HN 0.220 8.444 8.150 0.122 0.000 0.436 584 R N 2.144 122.639 120.500 -0.009 0.000 2.484 584 R HA -0.286 nan 4.340 nan 0.000 0.293 584 R C -0.152 176.138 176.300 -0.016 0.000 1.023 584 R CA 0.946 57.030 56.100 -0.027 0.000 1.037 584 R CB -0.255 30.027 30.300 -0.030 0.000 0.951 584 R HN 0.329 8.594 8.270 -0.009 0.000 0.418 585 D N 3.949 124.338 120.400 -0.020 0.000 2.701 585 D HA -0.289 nan 4.640 nan 0.000 0.235 585 D C -1.633 174.674 176.300 0.011 0.000 1.155 585 D CA 1.541 55.543 54.000 0.004 0.000 0.649 585 D CB -0.441 40.370 40.800 0.018 0.000 1.050 585 D HN 0.246 8.589 8.370 -0.045 0.000 0.425 586 D N -1.918 118.491 120.400 0.014 0.000 2.570 586 D HA 0.241 nan 4.640 nan 0.000 0.244 586 D C -1.774 174.552 176.300 0.043 0.000 1.178 586 D CA -1.175 52.836 54.000 0.019 0.000 0.881 586 D CB 2.379 43.179 40.800 0.000 0.000 1.453 586 D HN -0.783 7.586 8.370 0.013 0.009 0.447 587 R N 2.879 123.404 120.500 0.042 0.000 2.582 587 R HA 0.013 nan 4.340 nan 0.000 0.271 587 R C -0.769 175.585 176.300 0.090 0.000 1.078 587 R CA -0.192 55.954 56.100 0.075 0.000 1.127 587 R CB 1.094 31.427 30.300 0.055 0.000 1.038 587 R HN 0.391 8.676 8.270 0.026 0.000 0.500 588 Y N 3.897 124.212 120.300 0.025 0.000 2.632 588 Y HA -0.067 nan 4.550 nan 0.000 0.329 588 Y C -1.714 174.186 175.900 0.000 0.000 1.174 588 Y CA -1.568 56.546 58.100 0.024 0.000 1.469 588 Y CB 1.000 39.472 38.460 0.020 0.000 1.242 588 Y HN 0.244 8.680 8.280 0.259 0.000 0.540 589 P HA -0.083 nan 4.420 nan 0.000 0.239 589 P C -1.991 175.186 177.300 -0.206 0.000 1.184 589 P CA 0.773 63.708 63.100 -0.275 0.000 0.760 589 P CB 0.239 31.775 31.700 -0.274 0.000 0.884 590 D N -3.558 116.769 120.400 -0.123 0.000 2.505 590 D HA 0.094 nan 4.640 nan 0.000 0.249 590 D C -0.902 175.459 176.300 0.101 0.000 1.082 590 D CA -1.644 52.367 54.000 0.017 0.000 0.839 590 D CB 2.320 43.186 40.800 0.109 0.000 1.317 590 D HN -0.943 7.340 8.370 -0.032 0.068 0.497 591 K N 3.983 124.371 120.400 -0.021 0.000 2.097 591 K HA -0.219 nan 4.320 nan 0.000 0.205 591 K C 0.996 177.555 176.600 -0.067 0.000 1.050 591 K CA 1.181 57.441 56.287 -0.044 0.000 0.938 591 K CB 0.505 32.949 32.500 -0.093 0.000 0.718 591 K HN 0.272 8.375 8.250 -0.077 0.101 0.442 592 K N -0.911 119.417 120.400 -0.119 0.000 2.380 592 K HA -0.183 nan 4.320 nan 0.000 0.267 592 K C -0.351 176.204 176.600 -0.074 0.000 0.990 592 K CA -0.024 56.133 56.287 -0.215 0.000 0.946 592 K CB 0.322 32.588 32.500 -0.391 0.000 0.937 592 K HN -0.608 7.860 8.250 -0.114 -0.287 0.491 593 A N 1.111 123.903 122.820 -0.047 0.000 2.483 593 A HA 0.111 nan 4.320 nan 0.000 0.238 593 A C 0.362 177.979 177.584 0.054 0.000 1.070 593 A CA 0.290 52.341 52.037 0.022 0.000 0.770 593 A CB 0.456 19.515 19.000 0.098 0.000 1.008 593 A HN 0.211 8.299 8.150 -0.103 0.000 0.497 594 M N 2.624 122.196 119.600 -0.048 0.000 2.246 594 M HA -0.313 nan 4.480 nan 0.000 0.350 594 M C 0.810 177.153 176.300 0.071 0.000 1.406 594 M CA 2.183 57.359 55.300 -0.206 0.000 1.089 594 M CB -0.040 32.172 32.600 -0.646 0.000 1.782 594 M HN -0.215 8.272 8.290 -0.056 -0.230 0.457 595 G N 0.993 109.913 108.800 0.200 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 -0.719 174.296 174.900 0.191 0.000 0.986 595 G CA -0.427 44.913 45.100 0.401 0.000 0.643 595 G HN 0.293 8.677 8.290 0.156 0.000 0.522 596 F N 3.324 123.286 119.950 0.021 0.000 2.602 596 F HA -0.033 nan 4.527 nan 0.000 0.367 596 F C -2.196 173.426 175.800 -0.297 0.000 1.126 596 F CA -0.964 56.949 58.000 -0.145 0.000 1.321 596 F CB 1.126 40.044 39.000 -0.136 0.000 1.094 596 F HN -0.514 7.914 8.300 0.325 0.067 0.594 597 P HA -0.048 nan 4.420 nan 0.000 0.245 597 P C 0.021 176.640 177.300 -1.135 0.000 1.212 597 P CA 0.980 62.930 63.100 -1.916 0.000 0.774 597 P CB -0.072 30.580 31.700 -1.747 0.000 0.999 598 F N -0.803 118.773 119.950 -0.623 0.000 2.407 598 F HA -0.340 nan 4.527 nan 0.000 0.299 598 F C 0.525 176.236 175.800 -0.147 0.000 1.097 598 F CA 2.884 60.602 58.000 -0.470 0.000 1.422 598 F CB -0.929 37.745 39.000 -0.544 0.000 1.067 598 F HN -0.044 7.638 8.300 -0.892 0.083 0.539 599 D N -2.834 117.640 120.400 0.124 0.000 2.178 599 D HA -0.318 nan 4.640 nan 0.000 0.201 599 D C 0.368 176.760 176.300 0.154 0.000 0.980 599 D CA 2.177 56.297 54.000 0.200 0.000 0.842 599 D CB -0.452 40.491 40.800 0.238 0.000 0.948 599 D HN 0.022 8.386 8.370 0.071 0.049 0.472 600 R N -1.584 119.010 120.500 0.157 0.000 2.691 600 R HA 0.156 nan 4.340 nan 0.000 0.259 600 R C -0.363 175.954 176.300 0.028 0.000 1.048 600 R CA -1.208 54.919 56.100 0.044 0.000 1.086 600 R CB 1.503 31.703 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 0.905 121.310 120.400 0.009 0.000 2.436 601 K HA -0.111 nan 4.320 nan 0.000 0.275 601 K C -0.655 175.958 176.600 0.021 0.000 0.999 601 K CA 0.521 56.816 56.287 0.012 0.000 0.980 601 K CB 0.384 32.888 32.500 0.006 0.000 0.919 601 K HN 0.261 8.508 8.250 -0.005 0.000 0.484 602 I N 5.019 125.595 120.570 0.010 0.000 2.362 602 I HA -0.048 nan 4.170 nan 0.000 0.289 602 I C -0.782 175.374 176.117 0.065 0.000 0.994 602 I CA -0.686 60.632 61.300 0.030 0.000 1.158 602 I CB 1.011 38.957 38.000 -0.090 0.000 1.315 602 I HN 0.136 8.349 8.210 0.004 0.000 0.451 603 E N 7.061 127.327 120.200 0.111 0.000 2.106 603 E HA -0.184 nan 4.350 nan 0.000 0.192 603 E C -0.230 176.420 176.600 0.083 0.000 0.984 603 E CA 1.856 58.308 56.400 0.087 0.000 0.806 603 E CB 0.437 30.193 29.700 0.093 0.000 0.750 603 E HN 0.379 8.837 8.360 0.163 0.000 0.458 604 A N -3.021 119.872 122.820 0.121 0.000 2.407 604 A HA 0.045 nan 4.320 nan 0.000 0.248 604 A C 0.632 178.261 177.584 0.074 0.000 1.082 604 A CA 0.296 52.397 52.037 0.106 0.000 0.785 604 A CB 0.553 19.645 19.000 0.154 0.000 1.020 604 A HN -0.415 7.814 8.150 0.175 0.026 0.489 605 R N -0.205 120.328 120.500 0.055 0.000 2.090 605 R HA -0.141 nan 4.340 nan 0.000 0.228 605 R C -0.007 176.316 176.300 0.037 0.000 1.110 605 R CA 1.303 57.424 56.100 0.036 0.000 0.973 605 R CB 0.314 30.629 30.300 0.026 0.000 0.869 605 R HN 0.470 8.774 8.270 0.056 0.000 0.440 606 T N -3.999 110.588 114.554 0.055 0.000 2.908 606 T HA 0.290 nan 4.350 nan 0.000 0.290 606 T C -0.620 174.140 174.700 0.099 0.000 1.034 606 T CA -2.119 60.015 62.100 0.057 0.000 1.010 606 T CB 2.798 71.694 68.868 0.047 0.000 1.068 606 T HN -0.934 7.346 8.240 0.067 0.000 0.481 607 A N 4.953 127.836 122.820 0.105 0.000 1.933 607 A HA -0.168 nan 4.320 nan 0.000 0.218 607 A C 1.605 179.313 177.584 0.208 0.000 1.175 607 A CA 3.102 55.233 52.037 0.157 0.000 0.628 607 A CB -0.186 18.916 19.000 0.170 0.000 0.814 607 A HN 0.429 8.624 8.150 0.075 0.000 0.444 608 A N -2.280 120.634 122.820 0.155 0.000 1.940 608 A HA -0.270 nan 4.320 nan 0.000 0.219 608 A C 2.377 180.045 177.584 0.141 0.000 1.176 608 A CA 2.739 54.864 52.037 0.147 0.000 0.631 608 A CB -0.640 18.417 19.000 0.095 0.000 0.814 608 A HN -0.340 7.860 8.150 0.118 0.021 0.446 609 E N -1.886 118.391 120.200 0.128 0.000 2.153 609 E HA -0.320 nan 4.350 nan 0.000 0.194 609 E C 1.050 177.717 176.600 0.112 0.000 0.988 609 E CA 1.952 58.412 56.400 0.100 0.000 0.811 609 E CB -0.190 29.564 29.700 0.089 0.000 0.746 609 E HN -0.562 7.759 8.360 0.125 0.114 0.466 610 F N -2.744 117.230 119.950 0.039 0.000 2.186 610 F HA -0.225 nan 4.527 nan 0.000 0.299 610 F C -0.288 175.533 175.800 0.036 0.000 1.090 610 F CA 1.413 59.427 58.000 0.023 0.000 1.307 610 F CB 0.624 39.621 39.000 -0.005 0.000 1.019 610 F HN -0.682 7.644 8.300 0.313 0.162 0.489 611 L N -1.012 120.294 121.223 0.138 0.000 2.525 611 L HA -0.128 nan 4.340 nan 0.000 0.278 611 L C 0.390 177.225 176.870 -0.059 0.000 1.218 611 L CA 0.853 55.755 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 -0.708 7.498 8.230 0.216 0.153 0.492 612 T N -0.351 114.161 114.554 -0.070 0.000 2.910 612 T HA 0.476 nan 4.350 nan 0.000 0.279 612 T C -0.605 174.081 174.700 -0.022 0.000 0.989 612 T CA -3.104 58.952 62.100 -0.073 0.000 0.968 612 T CB 0.474 69.292 68.868 -0.084 0.000 1.135 612 T HN -0.519 7.714 8.240 -0.012 0.000 0.562 613 P HA -0.031 nan 4.420 nan 0.000 0.223 613 P C -0.753 176.548 177.300 0.001 0.000 1.151 613 P CA 1.935 65.032 63.100 -0.006 0.000 0.787 613 P CB 0.138 31.835 31.700 -0.006 0.000 0.788 614 N N -4.037 114.672 118.700 0.016 0.000 2.327 614 N HA 0.016 nan 4.740 nan 0.000 0.231 614 N C -1.593 173.889 175.510 -0.046 0.000 1.130 614 N CA -0.826 52.235 53.050 0.018 0.000 0.845 614 N CB -0.281 38.264 38.487 0.096 0.000 1.073 614 N HN -0.459 7.890 8.380 0.018 0.041 0.496 615 M N -1.146 118.410 119.600 -0.073 0.000 2.619 615 M HA 0.587 nan 4.480 nan 0.000 0.297 615 M C -1.416 174.765 176.300 -0.199 0.000 1.229 615 M CA -0.417 54.764 55.300 -0.198 0.000 0.860 615 M CB 5.272 37.880 32.600 0.013 0.000 1.741 615 M HN -0.694 7.479 8.290 -0.040 0.093 0.462 616 G N -1.026 107.547 108.800 -0.378 0.000 2.742 616 G HA2 0.243 nan 3.960 nan 0.000 0.296 616 G HA3 0.243 nan 3.960 nan 0.000 0.296 616 G C -3.576 171.244 174.900 -0.133 0.000 1.436 616 G CA 0.128 45.128 45.100 -0.167 0.000 0.928 616 G HN 0.467 8.276 8.290 -0.801 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 -0.879 176.052 176.870 0.103 0.000 0.988 617 L CA -0.613 54.317 54.840 0.150 0.000 0.824 617 L CB 3.030 45.237 42.059 0.248 0.000 1.263 617 L HN 0.053 8.316 8.230 0.056 0.000 0.410 618 T N 5.754 120.373 114.554 0.108 0.000 2.824 618 T HA 0.368 nan 4.350 nan 0.000 0.282 618 T C -1.982 172.781 174.700 0.105 0.000 0.993 618 T CA -1.187 60.965 62.100 0.088 0.000 0.967 618 T CB 2.134 71.048 68.868 0.077 0.000 0.960 618 T HN 0.744 8.951 8.240 0.134 0.113 0.441 619 D N 4.551 125.003 120.400 0.087 0.000 2.249 619 D HA 0.650 nan 4.640 nan 0.000 0.246 619 D C -1.026 175.326 176.300 0.087 0.000 1.114 619 D CA -0.930 53.125 54.000 0.092 0.000 0.854 619 D CB 0.494 41.333 40.800 0.064 0.000 1.132 619 D HN 0.056 8.469 8.370 0.070 0.000 0.461 620 I N -4.499 116.137 120.570 0.110 0.000 3.108 620 I HA 0.748 nan 4.170 nan 0.000 0.312 620 I C -1.877 174.315 176.117 0.125 0.000 1.095 620 I CA -2.570 58.780 61.300 0.084 0.000 1.000 620 I CB 3.828 41.853 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 -0.635 119.819 120.400 0.089 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 0.096 0.000 0.942 621 K CA -2.228 54.135 56.287 0.126 0.000 0.816 621 K CB 3.061 35.606 32.500 0.076 0.000 1.155 621 K HN 0.264 8.539 8.250 0.042 0.000 0.428 622 I N 2.694 123.363 120.570 0.165 0.000 2.389 622 I HA 0.528 nan 4.170 nan 0.000 0.288 622 I C -2.041 174.141 176.117 0.108 0.000 0.999 622 I CA -0.985 60.364 61.300 0.083 0.000 1.129 622 I CB 1.945 39.964 38.000 0.031 0.000 1.288 622 I HN 0.701 9.078 8.210 0.278 0.000 0.444 623 K N 5.116 125.551 120.400 0.059 0.000 2.345 623 K HA 0.611 nan 4.320 nan 0.000 0.255 623 K C -1.775 174.873 176.600 0.079 0.000 0.934 623 K CA -2.343 53.972 56.287 0.046 0.000 0.801 623 K CB 2.773 35.243 32.500 -0.051 0.000 1.137 623 K HN 0.569 8.837 8.250 0.030 0.000 0.424 624 F N 4.892 124.839 119.950 -0.004 0.000 2.375 624 F HA 0.344 nan 4.527 nan 0.000 0.333 624 F C -1.649 174.196 175.800 0.075 0.000 1.104 624 F CA -0.972 57.050 58.000 0.035 0.000 1.149 624 F CB 2.668 41.686 39.000 0.030 0.000 1.190 624 F HN 0.545 8.824 8.300 0.249 0.171 0.533 625 H N 7.102 125.527 119.070 -1.075 0.000 2.481 625 H HA 0.309 nan 4.556 nan 0.000 0.333 625 H C -1.225 173.669 175.328 -0.724 0.000 1.066 625 H CA -1.698 53.986 56.048 -0.607 0.000 1.209 625 H CB 3.253 32.749 29.762 -0.443 0.000 1.445 625 H HN 0.330 7.498 8.280 -1.854 0.000 0.488 626 G N 0.000 108.525 108.800 -0.459 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 -0.152 0.000 0.502 626 G HN 0.000 8.007 8.290 -0.472 0.000 0.925