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_H 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 0.000 174.656 174.700 -0.074 0.000 1.109 1 T CA 0.000 62.073 62.100 -0.045 0.000 1.349 1 T CB 0.000 68.848 68.868 -0.033 0.000 0.612 2 V N 2.422 122.285 119.914 -0.085 0.000 2.343 2 V HA -0.169 nan 4.120 nan 0.000 0.247 2 V C 1.199 177.231 176.094 -0.103 0.000 1.051 2 V CA 3.371 65.600 62.300 -0.118 0.000 1.036 2 V CB -0.363 31.396 31.823 -0.107 0.000 0.654 2 V HN 0.602 8.751 8.190 -0.069 0.000 0.451 3 A N -1.096 121.684 122.820 -0.068 0.000 1.902 3 A HA -0.345 nan 4.320 nan 0.000 0.217 3 A C 1.063 178.626 177.584 -0.035 0.000 1.181 3 A CA 3.362 55.369 52.037 -0.050 0.000 0.623 3 A CB -0.933 18.048 19.000 -0.031 0.000 0.818 3 A HN -0.011 8.103 8.150 -0.059 0.000 0.443 4 D N -2.345 118.038 120.400 -0.028 0.000 2.117 4 D HA -0.232 nan 4.640 nan 0.000 0.197 4 D C 2.221 178.522 176.300 0.002 0.000 0.987 4 D CA 3.187 57.186 54.000 -0.002 0.000 0.829 4 D CB -0.263 40.540 40.800 0.005 0.000 0.961 4 D HN 0.016 8.235 8.370 -0.038 0.128 0.460 5 K N -0.249 120.116 120.400 -0.059 0.000 2.057 5 K HA -0.383 nan 4.320 nan 0.000 0.207 5 K C 2.453 179.030 176.600 -0.037 0.000 1.049 5 K CA 3.036 59.255 56.287 -0.112 0.000 0.931 5 K CB -0.067 32.218 32.500 -0.358 0.000 0.714 5 K HN -0.544 7.557 8.250 -0.086 0.098 0.440 6 Q N -1.858 117.907 119.800 -0.058 0.000 2.084 6 Q HA -0.308 nan 4.340 nan 0.000 0.202 6 Q C 2.430 178.457 176.000 0.045 0.000 0.978 6 Q CA 2.959 58.743 55.803 -0.032 0.000 0.844 6 Q CB -0.269 28.425 28.738 -0.073 0.000 0.898 6 Q HN -0.002 8.113 8.270 -0.080 0.106 0.426 7 A N -1.074 121.776 122.820 0.050 0.000 1.902 7 A HA -0.272 nan 4.320 nan 0.000 0.217 7 A C 1.269 178.933 177.584 0.133 0.000 1.181 7 A CA 2.717 54.804 52.037 0.084 0.000 0.623 7 A CB -0.712 18.327 19.000 0.066 0.000 0.818 7 A HN -0.273 7.794 8.150 0.023 0.098 0.443 8 R N -3.150 117.444 120.500 0.156 0.000 2.096 8 R HA -0.257 nan 4.340 nan 0.000 0.235 8 R C 2.603 179.059 176.300 0.261 0.000 1.127 8 R CA 2.640 58.865 56.100 0.210 0.000 0.968 8 R CB 0.075 30.542 30.300 0.278 0.000 0.861 8 R HN -0.477 7.784 8.270 0.130 0.087 0.440 9 L N -0.946 120.460 121.223 0.305 0.000 2.083 9 L HA -0.318 nan 4.340 nan 0.000 0.209 9 L C 2.014 179.148 176.870 0.441 0.000 1.083 9 L CA 2.993 58.066 54.840 0.390 0.000 0.752 9 L CB -0.444 41.845 42.059 0.384 0.000 0.899 9 L HN -0.245 8.063 8.230 0.259 0.077 0.433 10 M N -1.711 118.087 119.600 0.331 0.000 2.086 10 M HA -0.267 nan 4.480 nan 0.000 0.261 10 M C -0.561 175.986 176.300 0.411 0.000 1.067 10 M CA 5.771 61.306 55.300 0.392 0.000 1.116 10 M CB -2.226 30.554 32.600 0.300 0.000 1.348 10 M HN -0.360 8.073 8.290 0.239 0.000 0.407 11 P HA -0.162 nan 4.420 nan 0.000 0.225 11 P C 0.453 177.854 177.300 0.169 0.000 1.148 11 P CA 2.331 65.557 63.100 0.210 0.000 0.779 11 P CB -0.821 30.964 31.700 0.142 0.000 0.780 12 L N -3.153 118.172 121.223 0.169 0.000 2.083 12 L HA -0.340 nan 4.340 nan 0.000 0.209 12 L C 2.056 178.892 176.870 -0.057 0.000 1.083 12 L CA 2.716 57.566 54.840 0.017 0.000 0.752 12 L CB -0.318 41.715 42.059 -0.045 0.000 0.899 12 L HN -0.260 7.959 8.230 0.253 0.162 0.433 13 F N -4.458 115.650 119.950 0.262 0.000 2.558 13 F HA -0.200 nan 4.527 nan 0.000 0.298 13 F C -0.017 175.884 175.800 0.169 0.000 1.119 13 F CA 1.547 59.699 58.000 0.254 0.000 1.451 13 F CB -0.150 39.002 39.000 0.254 0.000 1.091 13 F HN -0.761 7.659 8.300 0.381 0.108 0.563 14 K N -1.619 118.948 120.400 0.278 0.000 2.234 14 K HA 0.027 nan 4.320 nan 0.000 0.282 14 K C -0.345 176.391 176.600 0.227 0.000 1.039 14 K CA -0.209 56.209 56.287 0.218 0.000 0.928 14 K CB 0.366 33.034 32.500 0.281 0.000 1.039 14 K HN -1.018 7.203 8.250 0.258 0.184 0.470 15 H N 0.410 119.488 119.070 0.014 0.000 2.756 15 H HA -0.342 nan 4.556 nan 0.000 0.315 15 H C 0.839 176.155 175.328 -0.020 0.000 1.210 15 H CA 0.824 56.869 56.048 -0.006 0.000 1.150 15 H CB -2.146 27.616 29.762 -0.000 0.000 1.463 15 H HN 0.934 9.127 8.280 -0.145 0.000 0.427 16 L N -2.509 118.737 121.223 0.038 0.000 2.051 16 L HA -0.401 nan 4.340 nan 0.000 0.214 16 L C 2.059 178.969 176.870 0.066 0.000 1.076 16 L CA 2.941 57.813 54.840 0.052 0.000 0.758 16 L CB -1.414 40.752 42.059 0.178 0.000 0.890 16 L HN 0.323 8.541 8.230 -0.019 0.000 0.433 17 T N -1.059 113.552 114.554 0.096 0.000 2.570 17 T HA -0.316 nan 4.350 nan 0.000 0.266 17 T C 2.196 176.931 174.700 0.058 0.000 1.071 17 T CA 3.894 66.050 62.100 0.094 0.000 1.172 17 T CB -0.309 68.614 68.868 0.091 0.000 0.864 17 T HN -0.057 8.239 8.240 0.085 -0.005 0.421 18 A N 2.216 125.078 122.820 0.070 0.000 2.016 18 A HA -0.002 nan 4.320 nan 0.000 0.217 18 A C 1.082 178.662 177.584 -0.006 0.000 1.162 18 A CA 2.446 54.507 52.037 0.039 0.000 0.662 18 A CB -0.375 18.660 19.000 0.059 0.000 0.812 18 A HN -0.289 7.813 8.150 0.106 0.111 0.450 19 L N -4.217 116.992 121.223 -0.023 0.000 2.675 19 L HA -0.149 nan 4.340 nan 0.000 0.238 19 L C 0.724 177.537 176.870 -0.096 0.000 1.155 19 L CA 0.090 54.882 54.840 -0.080 0.000 0.881 19 L CB -0.884 41.098 42.059 -0.129 0.000 1.008 19 L HN -0.379 7.853 8.230 0.004 0.000 0.443 20 T N -1.013 113.506 114.554 -0.057 0.000 2.773 20 T HA -0.123 nan 4.350 nan 0.000 0.337 20 T C -0.653 174.022 174.700 -0.041 0.000 1.086 20 T CA -0.288 61.784 62.100 -0.047 0.000 0.998 20 T CB 0.415 69.274 68.868 -0.015 0.000 1.281 20 T HN -0.781 7.386 8.240 -0.033 0.054 0.525 21 R N 0.874 121.356 120.500 -0.030 0.000 2.448 21 R HA -0.324 nan 4.340 nan 0.000 0.336 21 R C 0.986 177.263 176.300 -0.038 0.000 1.038 21 R CA 0.535 56.618 56.100 -0.028 0.000 0.804 21 R CB -0.122 30.162 30.300 -0.026 0.000 2.350 21 R HN 0.234 8.490 8.270 -0.022 0.000 0.484 22 E N 2.737 122.916 120.200 -0.035 0.000 2.540 22 E HA -0.408 nan 4.350 nan 0.000 0.250 22 E C -0.404 176.169 176.600 -0.045 0.000 1.152 22 E CA 2.164 58.541 56.400 -0.038 0.000 1.129 22 E CB -0.446 29.238 29.700 -0.027 0.000 0.955 22 E HN 0.436 8.780 8.360 -0.028 0.000 0.451 23 K N 0.232 120.607 120.400 -0.041 0.000 4.226 23 K HA -0.336 nan 4.320 nan 0.000 0.274 23 K C -1.516 175.061 176.600 -0.039 0.000 0.782 23 K CA 0.380 56.642 56.287 -0.041 0.000 0.692 23 K CB -1.073 31.398 32.500 -0.049 0.000 1.843 23 K HN -0.043 8.095 8.250 -0.038 0.089 0.420 24 L N 2.744 123.949 121.223 -0.030 0.000 2.680 24 L HA 0.369 nan 4.340 nan 0.000 0.260 24 L C -1.785 175.075 176.870 -0.017 0.000 0.975 24 L CA -1.545 53.280 54.840 -0.025 0.000 0.920 24 L CB 1.645 43.687 42.059 -0.029 0.000 1.234 24 L HN -0.553 7.661 8.230 -0.027 0.000 0.429 25 P HA -0.117 nan 4.420 nan 0.000 0.216 25 P C -1.012 176.284 177.300 -0.007 0.000 1.150 25 P CA 1.253 64.347 63.100 -0.009 0.000 0.843 25 P CB 0.335 32.031 31.700 -0.007 0.000 0.787 26 L N 0.986 122.206 121.223 -0.006 0.000 2.316 26 L HA 0.258 nan 4.340 nan 0.000 0.280 26 L C -0.161 176.705 176.870 -0.007 0.000 1.006 26 L CA -1.424 53.413 54.840 -0.005 0.000 0.836 26 L CB 0.566 42.623 42.059 -0.002 0.000 1.221 26 L HN -0.461 7.756 8.230 -0.006 0.009 0.418 27 D N 3.071 123.466 120.400 -0.008 0.000 2.378 27 D HA -0.236 nan 4.640 nan 0.000 0.227 27 D C 0.782 177.077 176.300 -0.009 0.000 1.012 27 D CA 1.984 55.978 54.000 -0.011 0.000 0.905 27 D CB 0.153 40.946 40.800 -0.011 0.000 0.895 27 D HN 0.564 8.930 8.370 -0.007 0.000 0.532 28 Q N -1.197 118.600 119.800 -0.005 0.000 2.369 28 Q HA -0.200 nan 4.340 nan 0.000 0.206 28 Q C 1.279 177.278 176.000 -0.002 0.000 0.963 28 Q CA 1.564 57.365 55.803 -0.003 0.000 0.894 28 Q CB -1.373 27.364 28.738 -0.001 0.000 0.965 28 Q HN 0.145 8.368 8.270 -0.005 0.044 0.475 29 R N -0.634 119.865 120.500 -0.001 0.000 2.316 29 R HA -0.274 nan 4.340 nan 0.000 0.232 29 R C -0.378 175.926 176.300 0.008 0.000 1.137 29 R CA 2.143 58.246 56.100 0.006 0.000 1.012 29 R CB -0.063 30.241 30.300 0.007 0.000 0.859 29 R HN -0.478 7.740 8.270 -0.004 0.050 0.474 30 D N -2.355 118.042 120.400 -0.004 0.000 2.502 30 D HA 0.352 nan 4.640 nan 0.000 0.301 30 D C 0.348 176.644 176.300 -0.006 0.000 1.202 30 D CA -0.779 53.217 54.000 -0.006 0.000 0.878 30 D CB 1.022 41.806 40.800 -0.025 0.000 1.062 30 D HN -0.469 7.849 8.370 -0.009 0.047 0.499 31 E N 1.755 121.955 120.200 0.000 0.000 2.160 31 E HA -0.468 nan 4.350 nan 0.000 0.195 31 E C 1.135 177.735 176.600 0.000 0.000 0.991 31 E CA 3.713 60.113 56.400 0.000 0.000 0.810 31 E CB -0.485 29.217 29.700 0.003 0.000 0.742 31 E HN -0.228 8.134 8.360 0.004 0.000 0.466 32 R N -3.065 117.435 120.500 0.001 0.000 2.211 32 R HA -0.202 nan 4.340 nan 0.000 0.240 32 R C 1.366 177.664 176.300 -0.003 0.000 1.144 32 R CA 2.040 58.141 56.100 0.001 0.000 0.992 32 R CB -0.656 29.645 30.300 0.002 0.000 0.869 32 R HN 0.243 8.503 8.270 0.003 0.013 0.462 33 L N -3.457 117.762 121.223 -0.007 0.000 2.808 33 L HA 0.213 nan 4.340 nan 0.000 0.246 33 L C 0.140 177.006 176.870 -0.007 0.000 1.153 33 L CA 0.079 54.914 54.840 -0.009 0.000 0.956 33 L CB 0.255 42.304 42.059 -0.016 0.000 1.270 33 L HN -0.011 8.050 8.230 -0.008 0.164 0.528 34 K N -0.425 119.972 120.400 -0.005 0.000 2.148 34 K HA -0.175 nan 4.320 nan 0.000 0.204 34 K C 1.523 178.122 176.600 -0.001 0.000 1.050 34 K CA 1.742 58.027 56.287 -0.003 0.000 0.942 34 K CB -0.311 32.187 32.500 -0.002 0.000 0.724 34 K HN -0.365 7.747 8.250 -0.004 0.135 0.446 35 G N -1.518 107.282 108.800 -0.000 0.000 2.408 35 G HA2 -0.049 nan 3.960 nan 0.000 0.213 35 G HA3 -0.049 nan 3.960 nan 0.000 0.213 35 G C -1.958 172.943 174.900 0.001 0.000 1.177 35 G CA 0.328 45.429 45.100 0.001 0.000 0.802 35 G HN -0.260 8.010 8.290 -0.001 0.020 0.533 36 V N -0.557 119.358 119.914 0.001 0.000 2.394 36 V HA 0.206 nan 4.120 nan 0.000 0.282 36 V C -0.536 175.561 176.094 0.005 0.000 1.031 36 V CA -0.970 61.331 62.300 0.002 0.000 0.881 36 V CB 0.102 31.923 31.823 -0.003 0.000 0.982 36 V HN -0.689 7.434 8.190 -0.001 0.066 0.451 37 G N 8.476 117.286 108.800 0.016 0.000 2.143 37 G HA2 -0.279 nan 3.960 nan 0.000 0.175 37 G HA3 -0.279 nan 3.960 nan 0.000 0.175 37 G C 0.145 175.057 174.900 0.019 0.000 1.004 37 G CA 0.252 45.366 45.100 0.023 0.000 0.671 37 G HN 0.100 8.611 8.290 0.022 -0.208 0.512 38 I N -4.583 115.993 120.570 0.011 0.000 3.083 38 I HA -0.071 nan 4.170 nan 0.000 0.273 38 I C -0.082 176.035 176.117 0.001 0.000 1.297 38 I CA 0.639 61.939 61.300 -0.000 0.000 1.452 38 I CB -0.002 37.990 38.000 -0.014 0.000 1.078 38 I HN -0.355 7.860 8.210 0.008 0.000 0.484 39 L N 4.025 125.265 121.223 0.027 0.000 2.283 39 L HA 0.429 nan 4.340 nan 0.000 0.287 39 L C -2.368 174.545 176.870 0.072 0.000 1.073 39 L CA -3.014 51.864 54.840 0.063 0.000 0.822 39 L CB 0.481 42.632 42.059 0.155 0.000 1.186 39 L HN -0.695 7.717 8.230 0.039 -0.158 0.436 40 P HA 0.231 nan 4.420 nan 0.000 0.285 40 P C -1.687 175.657 177.300 0.073 0.000 1.269 40 P CA -1.287 61.845 63.100 0.054 0.000 0.844 40 P CB 0.908 32.630 31.700 0.037 0.000 1.094 41 R N -0.342 120.200 120.500 0.070 0.000 2.401 41 R HA -0.055 nan 4.340 nan 0.000 0.299 41 R C -0.930 175.410 176.300 0.067 0.000 1.064 41 R CA 1.168 57.315 56.100 0.079 0.000 1.000 41 R CB -0.282 30.062 30.300 0.074 0.000 0.973 41 R HN 0.299 8.603 8.270 0.056 0.000 0.438 42 G N 3.690 112.535 108.800 0.075 0.000 4.120 42 G HA2 0.093 nan 3.960 nan 0.000 0.195 42 G HA3 0.093 nan 3.960 nan 0.000 0.195 42 G C -0.900 174.051 174.900 0.084 0.000 1.420 42 G CA 0.463 45.607 45.100 0.074 0.000 0.981 42 G HN 0.483 8.825 8.290 0.087 0.000 0.496 43 T N 1.978 116.593 114.554 0.102 0.000 2.852 43 T HA 0.342 nan 4.350 nan 0.000 0.281 43 T C -0.488 174.256 174.700 0.073 0.000 0.993 43 T CA -0.424 61.736 62.100 0.099 0.000 0.933 43 T CB 1.442 70.370 68.868 0.100 0.000 1.187 43 T HN -0.099 8.203 8.240 0.103 0.000 0.559 44 L N -0.872 120.372 121.223 0.036 0.000 2.400 44 L HA 0.365 nan 4.340 nan 0.000 0.264 44 L C -0.342 176.545 176.870 0.028 0.000 1.061 44 L CA -0.966 53.898 54.840 0.040 0.000 0.799 44 L CB 1.150 43.217 42.059 0.013 0.000 1.240 44 L HN -0.211 8.030 8.230 0.019 0.000 0.461 45 F N 0.531 120.456 119.950 -0.042 0.000 2.412 45 F HA -0.023 nan 4.527 nan 0.000 0.348 45 F C -1.092 174.577 175.800 -0.219 0.000 1.102 45 F CA -0.045 57.889 58.000 -0.110 0.000 1.196 45 F CB 1.176 40.197 39.000 0.035 0.000 1.144 45 F HN -0.157 8.298 8.300 0.259 0.000 0.541 46 S N 5.675 120.547 115.700 -1.379 0.000 2.437 46 S HA 0.138 nan 4.470 nan 0.000 0.305 46 S C 0.142 174.140 174.600 -1.004 0.000 1.109 46 S CA -1.267 56.406 58.200 -0.879 0.000 1.099 46 S CB 1.496 64.288 63.200 -0.681 0.000 1.004 46 S HN -0.182 6.798 8.310 -2.216 0.000 0.475 47 C N 7.025 125.987 119.300 -0.563 0.000 2.450 47 C HA 0.067 nan 4.460 nan 0.000 0.279 47 C C 0.668 175.179 174.990 -0.798 0.000 1.335 47 C CA 1.492 60.139 59.018 -0.618 0.000 1.749 47 C CB -0.318 26.990 27.740 -0.719 0.000 1.963 47 C HN 0.149 8.171 8.230 -0.347 0.000 0.501 48 F N -4.809 114.994 119.950 -0.246 0.000 2.219 48 F HA -0.074 nan 4.527 nan 0.000 0.294 48 F C -0.071 175.547 175.800 -0.303 0.000 1.086 48 F CA 1.736 59.599 58.000 -0.227 0.000 1.330 48 F CB 0.092 38.977 39.000 -0.191 0.000 1.047 48 F HN -0.930 7.122 8.300 -0.369 0.026 0.495 49 H N 0.337 119.272 119.070 -0.225 0.000 2.897 49 H HA -0.076 nan 4.556 nan 0.000 0.347 49 H C 0.649 175.840 175.328 -0.229 0.000 1.068 49 H CA 0.225 56.110 56.048 -0.271 0.000 1.426 49 H CB 2.029 31.782 29.762 -0.013 0.000 1.410 49 H HN -0.700 7.539 8.280 -0.068 0.000 0.597 50 A N 6.841 129.278 122.820 -0.637 0.000 1.877 50 A HA -0.293 nan 4.320 nan 0.000 0.216 50 A C 1.629 179.195 177.584 -0.030 0.000 1.186 50 A CA 3.592 55.450 52.037 -0.300 0.000 0.620 50 A CB -0.089 18.734 19.000 -0.296 0.000 0.822 50 A HN 0.706 8.066 8.150 -1.316 0.000 0.443 51 R N -2.330 118.285 120.500 0.192 0.000 2.096 51 R HA -0.339 nan 4.340 nan 0.000 0.235 51 R C 2.367 178.671 176.300 0.006 0.000 1.127 51 R CA 3.040 59.207 56.100 0.112 0.000 0.968 51 R CB -0.908 29.438 30.300 0.075 0.000 0.861 51 R HN -0.549 7.890 8.270 0.282 0.000 0.440 52 H N -0.055 119.047 119.070 0.053 0.000 2.353 52 H HA -0.171 nan 4.556 nan 0.000 0.300 52 H C 2.584 177.925 175.328 0.023 0.000 1.090 52 H CA 3.760 59.767 56.048 -0.069 0.000 1.327 52 H CB 0.109 29.542 29.762 -0.548 0.000 1.383 52 H HN -0.638 7.798 8.280 0.296 0.021 0.508 53 L N -1.326 119.938 121.223 0.068 0.000 2.083 53 L HA -0.367 nan 4.340 nan 0.000 0.209 53 L C 1.899 178.818 176.870 0.081 0.000 1.083 53 L CA 2.767 57.637 54.840 0.050 0.000 0.752 53 L CB -0.632 41.409 42.059 -0.029 0.000 0.899 53 L HN -0.202 7.952 8.230 0.039 0.099 0.433 54 A N -0.899 121.955 122.820 0.057 0.000 1.902 54 A HA -0.386 nan 4.320 nan 0.000 0.217 54 A C 2.097 179.712 177.584 0.053 0.000 1.181 54 A CA 3.362 55.429 52.037 0.051 0.000 0.623 54 A CB -1.110 17.908 19.000 0.031 0.000 0.818 54 A HN 0.298 8.380 8.150 0.042 0.094 0.443 55 E N -1.279 118.955 120.200 0.057 0.000 2.077 55 E HA -0.405 nan 4.350 nan 0.000 0.193 55 E C 2.362 178.959 176.600 -0.006 0.000 0.989 55 E CA 2.846 59.271 56.400 0.040 0.000 0.800 55 E CB -0.100 29.645 29.700 0.075 0.000 0.746 55 E HN -0.475 7.924 8.360 0.066 0.000 0.452 56 A N -1.341 121.481 122.820 0.003 0.000 1.902 56 A HA -0.261 nan 4.320 nan 0.000 0.217 56 A C 2.071 179.409 177.584 -0.410 0.000 1.181 56 A CA 3.365 55.250 52.037 -0.255 0.000 0.623 56 A CB -0.867 17.998 19.000 -0.225 0.000 0.818 56 A HN -0.062 8.083 8.150 0.120 0.076 0.443 57 T N -0.231 114.371 114.554 0.080 0.000 2.746 57 T HA -0.310 nan 4.350 nan 0.000 0.267 57 T C 1.767 176.598 174.700 0.219 0.000 1.039 57 T CA 4.521 66.868 62.100 0.411 0.000 1.142 57 T CB -0.478 68.548 68.868 0.263 0.000 0.866 57 T HN 0.122 8.348 8.240 0.112 0.081 0.444 58 E N 1.622 121.861 120.200 0.064 0.000 2.077 58 E HA -0.271 nan 4.350 nan 0.000 0.193 58 E C 1.938 178.549 176.600 0.019 0.000 0.989 58 E CA 2.818 59.243 56.400 0.041 0.000 0.800 58 E CB -0.572 29.137 29.700 0.016 0.000 0.746 58 E HN -0.349 7.953 8.360 0.043 0.084 0.452 59 L N -1.326 119.851 121.223 -0.076 0.000 2.046 59 L HA -0.391 nan 4.340 nan 0.000 0.208 59 L C 2.314 179.159 176.870 -0.042 0.000 1.077 59 L CA 3.204 57.979 54.840 -0.108 0.000 0.747 59 L CB -0.263 41.665 42.059 -0.219 0.000 0.896 59 L HN -0.210 7.846 8.230 -0.126 0.099 0.432 60 Y N -3.133 117.223 120.300 0.093 0.000 2.181 60 Y HA -0.445 nan 4.550 nan 0.000 0.288 60 Y C 2.277 178.343 175.900 0.277 0.000 1.146 60 Y CA 4.165 62.379 58.100 0.191 0.000 1.164 60 Y CB -1.175 37.489 38.460 0.340 0.000 0.982 60 Y HN -0.287 7.760 8.280 -0.237 0.091 0.515 61 V N -4.262 115.878 119.914 0.378 0.000 2.332 61 V HA -0.443 nan 4.120 nan 0.000 0.248 61 V C 1.592 177.813 176.094 0.211 0.000 1.055 61 V CA 3.602 66.062 62.300 0.267 0.000 1.038 61 V CB -1.611 30.281 31.823 0.115 0.000 0.651 61 V HN 0.113 8.490 8.190 0.322 0.006 0.450 62 A N 0.280 123.175 122.820 0.125 0.000 1.902 62 A HA -0.274 nan 4.320 nan 0.000 0.217 62 A C 1.916 179.540 177.584 0.066 0.000 1.181 62 A CA 3.063 55.141 52.037 0.068 0.000 0.623 62 A CB -0.902 18.106 19.000 0.014 0.000 0.818 62 A HN -0.604 7.513 8.150 0.109 0.099 0.443 63 L N -2.451 118.803 121.223 0.051 0.000 2.046 63 L HA -0.401 nan 4.340 nan 0.000 0.208 63 L C 2.223 179.143 176.870 0.082 0.000 1.077 63 L CA 3.169 58.019 54.840 0.017 0.000 0.747 63 L CB -0.683 41.372 42.059 -0.006 0.000 0.896 63 L HN -0.504 7.677 8.230 0.075 0.094 0.432 64 Y N -2.663 117.744 120.300 0.179 0.000 2.181 64 Y HA -0.414 nan 4.550 nan 0.000 0.288 64 Y C 2.935 178.896 175.900 0.102 0.000 1.146 64 Y CA 3.370 61.551 58.100 0.135 0.000 1.164 64 Y CB -0.437 38.056 38.460 0.054 0.000 0.982 64 Y HN 0.356 8.618 8.280 0.270 0.181 0.515 65 G N -3.248 105.685 108.800 0.222 0.000 2.448 65 G HA2 -0.302 nan 3.960 nan 0.000 0.219 65 G HA3 -0.302 nan 3.960 nan 0.000 0.219 65 G C -0.612 174.356 174.900 0.113 0.000 1.127 65 G CA 0.102 45.284 45.100 0.136 0.000 0.766 65 G HN 0.081 8.302 8.290 0.228 0.206 0.552 66 A N 0.826 123.718 122.820 0.119 0.000 2.580 66 A HA -0.172 nan 4.320 nan 0.000 0.244 66 A C -0.064 177.584 177.584 0.108 0.000 1.045 66 A CA 0.060 52.160 52.037 0.106 0.000 0.761 66 A CB 0.191 19.278 19.000 0.145 0.000 0.962 66 A HN -0.744 7.318 8.150 0.136 0.169 0.512 67 K N 3.491 123.939 120.400 0.080 0.000 2.026 67 K HA -0.259 nan 4.320 nan 0.000 0.208 67 K C -0.700 175.953 176.600 0.089 0.000 1.048 67 K CA 2.331 58.662 56.287 0.073 0.000 0.929 67 K CB 0.379 32.910 32.500 0.052 0.000 0.713 67 K HN 0.343 8.805 8.250 0.065 -0.172 0.439 68 D N -5.424 115.036 120.400 0.100 0.000 2.636 68 D HA -0.038 nan 4.640 nan 0.000 0.275 68 D C -0.264 176.137 176.300 0.167 0.000 1.130 68 D CA -1.698 52.379 54.000 0.129 0.000 1.031 68 D CB 0.778 41.647 40.800 0.114 0.000 1.451 68 D HN -0.527 7.897 8.370 0.090 0.000 0.505 69 F N -0.031 119.964 119.950 0.075 0.000 2.134 69 F HA -0.285 nan 4.527 nan 0.000 0.299 69 F C 0.691 176.599 175.800 0.179 0.000 1.097 69 F CA 3.738 61.791 58.000 0.089 0.000 1.264 69 F CB 0.378 39.385 39.000 0.012 0.000 1.001 69 F HN 0.117 8.574 8.300 0.300 0.023 0.479 70 N N -2.266 116.558 118.700 0.206 0.000 2.120 70 N HA -0.324 nan 4.740 nan 0.000 0.188 70 N C 2.439 177.987 175.510 0.063 0.000 1.024 70 N CA 3.287 56.417 53.050 0.134 0.000 0.852 70 N CB -1.252 37.310 38.487 0.124 0.000 1.003 70 N HN 0.074 8.582 8.380 0.238 0.015 0.424 71 D N 0.473 120.910 120.400 0.062 0.000 2.144 71 D HA -0.228 nan 4.640 nan 0.000 0.199 71 D C 1.789 178.104 176.300 0.026 0.000 0.984 71 D CA 2.648 56.677 54.000 0.047 0.000 0.834 71 D CB -0.147 40.680 40.800 0.045 0.000 0.955 71 D HN -0.049 8.544 8.370 0.084 -0.173 0.465 72 F N 1.693 121.531 119.950 -0.186 0.000 2.102 72 F HA -0.332 nan 4.527 nan 0.000 0.298 72 F C 1.642 177.264 175.800 -0.297 0.000 1.105 72 F CA 3.442 61.269 58.000 -0.289 0.000 1.239 72 F CB 0.289 38.968 39.000 -0.534 0.000 0.991 72 F HN -0.151 8.127 8.300 0.091 0.077 0.474 73 I N -1.877 118.580 120.570 -0.188 0.000 2.226 73 I HA -0.569 nan 4.170 nan 0.000 0.245 73 I C 1.926 177.954 176.117 -0.149 0.000 1.100 73 I CA 2.681 63.886 61.300 -0.159 0.000 1.374 73 I CB -1.667 36.325 38.000 -0.013 0.000 1.057 73 I HN 0.190 8.220 8.210 -0.163 0.081 0.413 74 H N 1.002 119.988 119.070 -0.141 0.000 2.321 74 H HA -0.332 nan 4.556 nan 0.000 0.300 74 H C 2.169 177.414 175.328 -0.138 0.000 1.087 74 H CA 4.297 60.282 56.048 -0.105 0.000 1.319 74 H CB 0.326 30.049 29.762 -0.065 0.000 1.379 74 H HN -0.417 7.818 8.280 0.055 0.078 0.501 75 L N -1.025 120.140 121.223 -0.097 0.000 1.990 75 L HA -0.405 nan 4.340 nan 0.000 0.213 75 L C 1.485 178.202 176.870 -0.256 0.000 1.072 75 L CA 3.635 58.369 54.840 -0.176 0.000 0.755 75 L CB -0.557 41.385 42.059 -0.195 0.000 0.889 75 L HN -0.003 8.208 8.230 -0.033 0.000 0.432 76 C N -2.132 116.956 119.300 -0.354 0.000 2.437 76 C HA -0.346 nan 4.460 nan 0.000 0.283 76 C C 2.184 177.073 174.990 -0.169 0.000 1.424 76 C CA 2.872 61.757 59.018 -0.221 0.000 1.782 76 C CB -2.401 25.110 27.740 -0.381 0.000 1.833 76 C HN -0.132 7.740 8.230 -0.490 0.064 0.532 77 E N 1.056 121.113 120.200 -0.239 0.000 2.011 77 E HA -0.333 nan 4.350 nan 0.000 0.191 77 E C 2.097 178.531 176.600 -0.276 0.000 0.980 77 E CA 3.230 59.484 56.400 -0.243 0.000 0.814 77 E CB -0.217 29.334 29.700 -0.249 0.000 0.775 77 E HN 0.082 8.113 8.360 -0.278 0.163 0.454 78 Q N -0.875 118.711 119.800 -0.357 0.000 2.084 78 Q HA -0.259 nan 4.340 nan 0.000 0.202 78 Q C 2.599 178.482 176.000 -0.195 0.000 0.978 78 Q CA 2.717 58.349 55.803 -0.286 0.000 0.844 78 Q CB 0.340 28.866 28.738 -0.353 0.000 0.898 78 Q HN -0.242 7.733 8.270 -0.491 0.000 0.426 79 A N -2.637 120.079 122.820 -0.173 0.000 2.015 79 A HA -0.212 nan 4.320 nan 0.000 0.219 79 A C 1.205 178.712 177.584 -0.129 0.000 1.163 79 A CA 2.510 54.481 52.037 -0.110 0.000 0.646 79 A CB -0.555 18.406 19.000 -0.065 0.000 0.806 79 A HN 0.268 8.300 8.150 -0.197 0.000 0.448 80 R N -2.283 118.065 120.500 -0.254 0.000 2.092 80 R HA -0.345 nan 4.340 nan 0.000 0.231 80 R C 1.908 178.005 176.300 -0.338 0.000 1.119 80 R CA 3.203 58.990 56.100 -0.522 0.000 0.970 80 R CB -0.296 29.466 30.300 -0.897 0.000 0.864 80 R HN -0.615 7.451 8.270 -0.258 0.049 0.440 81 Q N -3.215 116.440 119.800 -0.242 0.000 2.152 81 Q HA -0.302 nan 4.340 nan 0.000 0.206 81 Q C 1.163 177.100 176.000 -0.105 0.000 0.985 81 Q CA 2.378 58.087 55.803 -0.157 0.000 0.863 81 Q CB -0.141 28.520 28.738 -0.128 0.000 0.904 81 Q HN -0.317 7.787 8.270 -0.248 0.017 0.422 82 I N -4.513 116.004 120.570 -0.089 0.000 2.429 82 I HA -0.122 nan 4.170 nan 0.000 0.247 82 I C -0.130 175.970 176.117 -0.029 0.000 1.099 82 I CA 0.748 62.019 61.300 -0.049 0.000 1.422 82 I CB 1.645 39.624 38.000 -0.036 0.000 1.112 82 I HN -0.740 7.312 8.210 -0.101 0.097 0.430 83 V N -4.463 115.437 119.914 -0.024 0.000 3.185 83 V HA 0.058 nan 4.120 nan 0.000 0.305 83 V C -0.942 175.172 176.094 0.034 0.000 1.090 83 V CA -1.842 60.468 62.300 0.016 0.000 1.107 83 V CB -0.023 31.825 31.823 0.042 0.000 1.061 83 V HN -0.674 7.489 8.190 -0.044 0.000 0.480 84 N N 1.630 120.370 118.700 0.068 0.000 2.454 84 N HA -0.122 nan 4.740 nan 0.000 0.254 84 N C 1.115 176.688 175.510 0.105 0.000 1.228 84 N CA 0.598 53.705 53.050 0.095 0.000 0.900 84 N CB 1.551 40.131 38.487 0.155 0.000 1.089 84 N HN -0.118 8.306 8.380 0.073 0.000 0.449 85 E N 4.499 124.774 120.200 0.125 0.000 2.106 85 E HA -0.306 nan 4.350 nan 0.000 0.192 85 E C 1.339 178.093 176.600 0.257 0.000 0.984 85 E CA 3.010 59.523 56.400 0.188 0.000 0.806 85 E CB -0.983 28.840 29.700 0.205 0.000 0.750 85 E HN 0.364 8.793 8.360 0.116 0.000 0.458 86 G N -0.257 108.643 108.800 0.167 0.000 2.418 86 G HA2 -0.302 nan 3.960 nan 0.000 0.217 86 G HA3 -0.302 nan 3.960 nan 0.000 0.217 86 G C 1.135 175.949 174.900 -0.143 0.000 1.158 86 G CA 1.568 46.736 45.100 0.115 0.000 0.771 86 G HN -0.275 8.159 8.290 0.160 -0.048 0.545 87 M N 2.724 122.060 119.600 -0.441 0.000 2.159 87 M HA -0.356 nan 4.480 nan 0.000 0.263 87 M C 0.866 176.997 176.300 -0.281 0.000 1.063 87 M CA 3.287 58.084 55.300 -0.839 0.000 1.110 87 M CB 0.059 32.369 32.600 -0.483 0.000 1.374 87 M HN 0.065 8.580 8.290 -0.171 -0.327 0.411 88 F N -0.576 119.282 119.950 -0.152 0.000 2.102 88 F HA -0.405 nan 4.527 nan 0.000 0.298 88 F C 1.108 176.927 175.800 0.032 0.000 1.105 88 F CA 4.218 62.174 58.000 -0.074 0.000 1.239 88 F CB -0.060 38.909 39.000 -0.052 0.000 0.991 88 F HN -0.322 7.984 8.300 0.141 0.079 0.474 89 V N -0.272 119.760 119.914 0.197 0.000 2.407 89 V HA -0.468 nan 4.120 nan 0.000 0.248 89 V C 1.017 177.263 176.094 0.252 0.000 1.055 89 V CA 4.035 66.507 62.300 0.286 0.000 1.049 89 V CB -0.999 31.201 31.823 0.628 0.000 0.662 89 V HN 0.051 8.476 8.190 0.392 0.000 0.455 90 Y N 0.539 120.893 120.300 0.090 0.000 2.145 90 Y HA -0.476 nan 4.550 nan 0.000 0.286 90 Y C 1.339 177.246 175.900 0.011 0.000 1.145 90 Y CA 3.774 61.896 58.100 0.036 0.000 1.148 90 Y CB -0.317 38.026 38.460 -0.196 0.000 0.981 90 Y HN -0.430 7.868 8.280 0.201 0.103 0.507 91 A N -1.687 121.144 122.820 0.018 0.000 1.898 91 A HA -0.366 nan 4.320 nan 0.000 0.216 91 A C 2.123 179.724 177.584 0.028 0.000 1.181 91 A CA 3.143 55.069 52.037 -0.185 0.000 0.620 91 A CB -0.646 18.087 19.000 -0.445 0.000 0.819 91 A HN 0.197 8.276 8.150 -0.119 0.000 0.442 92 V N -4.490 115.294 119.914 -0.218 0.000 2.358 92 V HA -0.439 nan 4.120 nan 0.000 0.246 92 V C 1.720 177.928 176.094 0.190 0.000 1.047 92 V CA 3.694 65.908 62.300 -0.143 0.000 1.035 92 V CB -1.340 30.149 31.823 -0.556 0.000 0.658 92 V HN 0.124 8.049 8.190 -0.441 0.000 0.452 93 S N 0.432 116.285 115.700 0.256 0.000 2.382 93 S HA -0.375 nan 4.470 nan 0.000 0.228 93 S C 1.927 176.677 174.600 0.251 0.000 1.027 93 S CA 3.712 62.090 58.200 0.297 0.000 0.991 93 S CB -0.040 63.333 63.200 0.288 0.000 0.823 93 S HN -0.367 8.061 8.310 0.197 0.000 0.469 94 V N 1.400 121.515 119.914 0.336 0.000 2.343 94 V HA -0.378 nan 4.120 nan 0.000 0.247 94 V C 1.806 178.201 176.094 0.501 0.000 1.051 94 V CA 3.645 66.225 62.300 0.466 0.000 1.036 94 V CB -0.978 31.200 31.823 0.591 0.000 0.654 94 V HN -0.414 7.992 8.190 0.361 0.000 0.451 95 A N -0.596 122.405 122.820 0.303 0.000 1.902 95 A HA -0.293 nan 4.320 nan 0.000 0.217 95 A C 1.861 179.443 177.584 -0.003 0.000 1.181 95 A CA 3.613 55.612 52.037 -0.063 0.000 0.623 95 A CB -0.835 18.203 19.000 0.063 0.000 0.818 95 A HN -0.204 8.077 8.150 0.341 0.073 0.443 96 V N -0.064 119.908 119.914 0.097 0.000 2.407 96 V HA -0.416 nan 4.120 nan 0.000 0.248 96 V C 1.839 177.937 176.094 0.006 0.000 1.055 96 V CA 4.325 66.644 62.300 0.033 0.000 1.049 96 V CB -0.955 30.943 31.823 0.124 0.000 0.662 96 V HN 0.225 8.531 8.190 0.193 0.000 0.455 97 L N -0.889 120.349 121.223 0.025 0.000 2.005 97 L HA -0.431 nan 4.340 nan 0.000 0.207 97 L C 1.560 178.299 176.870 -0.218 0.000 1.072 97 L CA 3.494 58.246 54.840 -0.147 0.000 0.744 97 L CB 0.013 41.906 42.059 -0.276 0.000 0.895 97 L HN -0.069 8.148 8.230 0.107 0.077 0.433 98 H N -4.819 114.364 119.070 0.188 0.000 2.384 98 H HA 0.011 nan 4.556 nan 0.000 0.300 98 H C 1.125 176.598 175.328 0.241 0.000 1.057 98 H CA 2.538 58.751 56.048 0.276 0.000 1.370 98 H CB 0.680 30.762 29.762 0.534 0.000 1.417 98 H HN -0.482 8.002 8.280 0.339 0.000 0.527 99 R N 1.133 121.795 120.500 0.269 0.000 2.351 99 R HA -0.121 nan 4.340 nan 0.000 0.318 99 R C 0.712 177.050 176.300 0.064 0.000 1.055 99 R CA 0.001 56.190 56.100 0.149 0.000 0.968 99 R CB 0.165 30.423 30.300 -0.070 0.000 0.974 99 R HN 0.041 8.406 8.270 0.159 0.000 0.439 100 E N 5.299 125.551 120.200 0.088 0.000 2.097 100 E HA -0.397 nan 4.350 nan 0.000 0.196 100 E C 1.180 177.783 176.600 0.006 0.000 1.000 100 E CA 3.529 59.957 56.400 0.047 0.000 0.804 100 E CB -0.569 29.165 29.700 0.057 0.000 0.740 100 E HN 0.434 8.873 8.360 0.132 0.000 0.454 101 D N -0.428 119.990 120.400 0.030 0.000 2.133 101 D HA -0.229 nan 4.640 nan 0.000 0.195 101 D C 1.678 177.914 176.300 -0.106 0.000 0.997 101 D CA 2.796 56.814 54.000 0.030 0.000 0.840 101 D CB -0.485 40.436 40.800 0.201 0.000 0.947 101 D HN -0.005 8.387 8.370 0.059 0.014 0.452 102 C N -0.374 118.877 119.300 -0.080 0.000 2.420 102 C HA -0.089 nan 4.460 nan 0.000 0.373 102 C C 0.520 175.421 174.990 -0.149 0.000 1.356 102 C CA -1.047 57.866 59.018 -0.175 0.000 1.531 102 C CB -2.480 25.201 27.740 -0.098 0.000 1.613 102 C HN -0.137 7.996 8.230 -0.018 0.087 0.597 103 K N 3.050 123.373 120.400 -0.129 0.000 3.256 103 K HA -0.146 nan 4.320 nan 0.000 0.285 103 K C -0.074 176.445 176.600 -0.135 0.000 1.086 103 K CA -0.126 56.100 56.287 -0.102 0.000 1.125 103 K CB -2.434 30.023 32.500 -0.072 0.000 1.292 103 K HN -0.137 7.871 8.250 -0.118 0.172 0.312 104 G N -3.306 105.392 108.800 -0.169 0.000 3.941 104 G HA2 0.150 nan 3.960 nan 0.000 0.222 104 G HA3 0.150 nan 3.960 nan 0.000 0.222 104 G C -1.298 173.480 174.900 -0.203 0.000 1.118 104 G CA -0.120 44.864 45.100 -0.193 0.000 0.880 104 G HN -0.030 8.101 8.290 -0.160 0.063 0.546 105 I N 0.921 121.366 120.570 -0.208 0.000 2.651 105 I HA 0.090 nan 4.170 nan 0.000 0.287 105 I C -1.545 174.406 176.117 -0.276 0.000 1.244 105 I CA -0.936 60.224 61.300 -0.233 0.000 1.061 105 I CB 2.648 40.542 38.000 -0.177 0.000 1.286 105 I HN -0.259 7.848 8.210 -0.172 0.000 0.434 106 T N 5.675 119.980 114.554 -0.414 0.000 2.847 106 T HA 0.141 nan 4.350 nan 0.000 0.279 106 T C -1.202 173.322 174.700 -0.293 0.000 0.984 106 T CA -0.764 61.072 62.100 -0.440 0.000 0.988 106 T CB 1.195 69.681 68.868 -0.637 0.000 1.040 106 T HN 0.091 8.250 8.240 -0.392 -0.155 0.528 107 V N 2.317 122.050 119.914 -0.302 0.000 2.630 107 V HA 0.329 nan 4.120 nan 0.000 0.305 107 V C -1.904 173.823 176.094 -0.611 0.000 1.046 107 V CA -3.425 58.612 62.300 -0.438 0.000 0.934 107 V CB 0.587 32.217 31.823 -0.321 0.000 1.003 107 V HN 0.416 8.450 8.190 -0.260 0.000 0.451 108 P HA 0.156 nan 4.420 nan 0.000 0.269 108 P C -2.580 174.255 177.300 -0.776 0.000 1.215 108 P CA -1.551 60.912 63.100 -1.062 0.000 0.780 108 P CB -0.081 31.046 31.700 -0.955 0.000 0.898 109 P HA 0.064 nan 4.420 nan 0.000 0.268 109 P C 0.981 178.145 177.300 -0.226 0.000 1.204 109 P CA -0.415 62.461 63.100 -0.374 0.000 0.768 109 P CB 0.598 32.110 31.700 -0.313 0.000 0.842 110 I N -0.722 119.743 120.570 -0.175 0.000 2.252 110 I HA -0.459 nan 4.170 nan 0.000 0.245 110 I C 1.322 177.362 176.117 -0.128 0.000 1.102 110 I CA 3.940 65.138 61.300 -0.170 0.000 1.385 110 I CB -0.135 37.657 38.000 -0.346 0.000 1.064 110 I HN 0.313 8.466 8.210 -0.094 0.000 0.414 111 Q N 0.710 120.154 119.800 -0.593 0.000 2.084 111 Q HA -0.339 nan 4.340 nan 0.000 0.202 111 Q C 1.301 177.071 176.000 -0.384 0.000 0.978 111 Q CA 3.614 58.618 55.803 -1.332 0.000 0.844 111 Q CB -1.175 26.719 28.738 -1.407 0.000 0.898 111 Q HN 0.297 8.270 8.270 -0.495 0.000 0.426 112 E N -2.769 117.334 120.200 -0.162 0.000 2.107 112 E HA -0.208 nan 4.350 nan 0.000 0.191 112 E C 1.815 178.499 176.600 0.140 0.000 0.982 112 E CA 2.273 58.728 56.400 0.091 0.000 0.809 112 E CB -0.037 29.843 29.700 0.300 0.000 0.756 112 E HN 0.016 8.152 8.360 -0.208 0.099 0.459 113 V N -4.676 115.284 119.914 0.077 0.000 2.307 113 V HA -0.161 nan 4.120 nan 0.000 0.245 113 V C 0.653 176.496 176.094 -0.419 0.000 1.045 113 V CA 2.229 64.452 62.300 -0.128 0.000 1.024 113 V CB 0.084 31.787 31.823 -0.200 0.000 0.651 113 V HN -0.133 7.857 8.190 0.018 0.211 0.449 114 F N -1.238 118.784 119.950 0.120 0.000 2.449 114 F HA 0.609 nan 4.527 nan 0.000 0.344 114 F C -1.122 174.835 175.800 0.261 0.000 1.180 114 F CA -3.087 55.009 58.000 0.159 0.000 1.209 114 F CB 0.443 39.527 39.000 0.140 0.000 1.440 114 F HN -0.052 8.263 8.300 0.201 0.106 0.526 115 P HA -0.222 nan 4.420 nan 0.000 0.220 115 P C 0.194 177.695 177.300 0.335 0.000 1.148 115 P CA 2.569 65.838 63.100 0.283 0.000 0.803 115 P CB -0.148 31.644 31.700 0.153 0.000 0.782 116 D N -3.571 117.006 120.400 0.296 0.000 2.178 116 D HA -0.276 nan 4.640 nan 0.000 0.202 116 D C 1.493 177.929 176.300 0.228 0.000 0.974 116 D CA 2.697 56.841 54.000 0.240 0.000 0.841 116 D CB -1.034 39.895 40.800 0.216 0.000 0.953 116 D HN 0.492 8.998 8.370 0.323 0.057 0.478 117 R N -2.253 118.384 120.500 0.229 0.000 2.115 117 R HA -0.199 nan 4.340 nan 0.000 0.226 117 R C 1.474 177.630 176.300 -0.239 0.000 1.100 117 R CA 2.141 58.236 56.100 -0.009 0.000 0.980 117 R CB -0.729 29.474 30.300 -0.162 0.000 0.875 117 R HN -0.494 7.964 8.270 0.344 0.018 0.445 118 F N -2.555 117.427 119.950 0.054 0.000 2.234 118 F HA -0.075 nan 4.527 nan 0.000 0.296 118 F C -0.254 175.551 175.800 0.009 0.000 1.089 118 F CA 2.247 60.245 58.000 -0.003 0.000 1.343 118 F CB 0.742 39.720 39.000 -0.038 0.000 1.040 118 F HN -0.800 7.643 8.300 0.468 0.137 0.498 119 V N -7.568 112.475 119.914 0.216 0.000 2.919 119 V HA 0.470 nan 4.120 nan 0.000 0.316 119 V C -2.808 173.375 176.094 0.149 0.000 1.077 119 V CA -4.526 57.874 62.300 0.168 0.000 0.977 119 V CB 0.169 32.098 31.823 0.176 0.000 1.039 119 V HN -0.558 7.778 8.190 0.245 0.000 0.441 120 P HA 0.133 nan 4.420 nan 0.000 0.272 120 P C -0.576 176.805 177.300 0.135 0.000 1.230 120 P CA -0.750 62.433 63.100 0.139 0.000 0.788 120 P CB 0.743 32.511 31.700 0.115 0.000 0.949 121 A N 1.942 124.848 122.820 0.144 0.000 1.933 121 A HA -0.364 nan 4.320 nan 0.000 0.218 121 A C 2.028 179.674 177.584 0.104 0.000 1.175 121 A CA 3.484 55.596 52.037 0.126 0.000 0.628 121 A CB -0.467 18.610 19.000 0.128 0.000 0.814 121 A HN 0.220 8.473 8.150 0.171 0.000 0.444 122 E N -2.330 117.930 120.200 0.099 0.000 2.051 122 E HA -0.415 nan 4.350 nan 0.000 0.192 122 E C 2.351 178.998 176.600 0.078 0.000 0.991 122 E CA 3.317 59.764 56.400 0.079 0.000 0.799 122 E CB -0.947 28.791 29.700 0.063 0.000 0.748 122 E HN 0.258 8.675 8.360 0.107 0.007 0.449 123 T N 1.279 115.886 114.554 0.088 0.000 2.746 123 T HA -0.138 nan 4.350 nan 0.000 0.267 123 T C 2.122 176.874 174.700 0.087 0.000 1.039 123 T CA 3.897 66.050 62.100 0.089 0.000 1.142 123 T CB -0.565 68.367 68.868 0.106 0.000 0.866 123 T HN 0.042 8.338 8.240 0.094 0.000 0.444 124 I N 1.371 121.998 120.570 0.095 0.000 2.286 124 I HA -0.580 nan 4.170 nan 0.000 0.248 124 I C 1.424 177.585 176.117 0.074 0.000 1.115 124 I CA 4.288 65.643 61.300 0.091 0.000 1.392 124 I CB -0.431 37.631 38.000 0.103 0.000 1.065 124 I HN -0.206 7.984 8.210 0.103 0.083 0.418 125 N N -0.018 118.725 118.700 0.071 0.000 2.120 125 N HA -0.299 nan 4.740 nan 0.000 0.188 125 N C 2.222 177.764 175.510 0.053 0.000 1.024 125 N CA 3.581 56.666 53.050 0.058 0.000 0.852 125 N CB -0.015 38.506 38.487 0.056 0.000 1.003 125 N HN 0.260 8.498 8.380 0.078 0.189 0.424 126 R N -0.476 120.058 120.500 0.057 0.000 2.073 126 R HA -0.340 nan 4.340 nan 0.000 0.234 126 R C 2.064 178.395 176.300 0.052 0.000 1.134 126 R CA 3.456 59.587 56.100 0.053 0.000 0.952 126 R CB -0.226 30.107 30.300 0.055 0.000 0.850 126 R HN 0.167 8.399 8.270 0.062 0.075 0.433 127 A N -1.127 121.726 122.820 0.056 0.000 1.902 127 A HA -0.281 nan 4.320 nan 0.000 0.217 127 A C 2.174 179.787 177.584 0.048 0.000 1.181 127 A CA 3.219 55.288 52.037 0.053 0.000 0.623 127 A CB -0.851 18.184 19.000 0.058 0.000 0.818 127 A HN 0.322 8.509 8.150 0.062 0.000 0.443 128 N N -1.894 116.834 118.700 0.046 0.000 2.120 128 N HA -0.312 nan 4.740 nan 0.000 0.188 128 N C 2.194 177.722 175.510 0.030 0.000 1.024 128 N CA 2.822 55.893 53.050 0.035 0.000 0.852 128 N CB -0.491 38.016 38.487 0.034 0.000 1.003 128 N HN -0.234 8.177 8.380 0.051 0.000 0.424 129 K N 1.169 121.589 120.400 0.035 0.000 2.057 129 K HA -0.348 nan 4.320 nan 0.000 0.207 129 K C 2.135 178.758 176.600 0.039 0.000 1.049 129 K CA 3.478 59.784 56.287 0.031 0.000 0.931 129 K CB 0.034 32.556 32.500 0.035 0.000 0.714 129 K HN 0.302 8.372 8.250 0.040 0.205 0.440 130 E N -1.240 118.991 120.200 0.051 0.000 2.153 130 E HA -0.351 nan 4.350 nan 0.000 0.194 130 E C 2.298 178.937 176.600 0.065 0.000 0.988 130 E CA 2.803 59.244 56.400 0.068 0.000 0.811 130 E CB -0.237 29.500 29.700 0.062 0.000 0.746 130 E HN 0.256 8.455 8.360 0.049 0.190 0.466 131 A N -1.111 121.736 122.820 0.046 0.000 1.877 131 A HA -0.221 nan 4.320 nan 0.000 0.216 131 A C 1.524 179.122 177.584 0.024 0.000 1.186 131 A CA 3.188 55.248 52.037 0.038 0.000 0.620 131 A CB -0.476 18.540 19.000 0.026 0.000 0.822 131 A HN -0.116 7.973 8.150 0.043 0.087 0.443 132 S N -1.970 113.736 115.700 0.010 0.000 2.395 132 S HA -0.150 nan 4.470 nan 0.000 0.225 132 S C 1.649 176.230 174.600 -0.033 0.000 1.027 132 S CA 2.083 60.275 58.200 -0.013 0.000 0.965 132 S CB 0.358 63.547 63.200 -0.018 0.000 0.812 132 S HN -0.417 7.901 8.310 0.013 0.000 0.482 133 N N 1.187 119.878 118.700 -0.015 0.000 2.025 133 N HA -0.231 nan 4.740 nan 0.000 0.194 133 N C 0.182 175.544 175.510 -0.247 0.000 1.044 133 N CA 2.542 55.544 53.050 -0.080 0.000 0.851 133 N CB 0.593 39.123 38.487 0.071 0.000 1.036 133 N HN -0.036 8.124 8.380 0.023 0.234 0.422 134 H N -1.979 117.094 119.070 0.006 0.000 2.906 134 H HA 0.333 nan 4.556 nan 0.000 0.324 134 H C -2.403 172.929 175.328 0.005 0.000 0.973 134 H CA -2.276 53.775 56.048 0.005 0.000 1.321 134 H CB 1.401 31.167 29.762 0.006 0.000 1.535 134 H HN -0.601 7.764 8.280 0.142 0.000 0.518 135 P HA -0.010 nan 4.420 nan 0.000 0.271 135 P C -1.654 175.687 177.300 0.069 0.000 1.220 135 P CA -0.100 63.032 63.100 0.053 0.000 0.768 135 P CB 0.481 32.192 31.700 0.018 0.000 0.848 136 D N 2.895 123.329 120.400 0.058 0.000 2.751 136 D HA -0.023 nan 4.640 nan 0.000 0.236 136 D C -0.049 176.277 176.300 0.042 0.000 1.196 136 D CA -0.026 54.003 54.000 0.048 0.000 0.741 136 D CB 1.462 42.291 40.800 0.050 0.000 1.474 136 D HN -0.412 7.991 8.370 0.054 0.000 0.452 137 Q N 1.429 121.249 119.800 0.034 0.000 2.224 137 Q HA -0.200 nan 4.340 nan 0.000 0.203 137 Q C -0.053 175.964 176.000 0.027 0.000 0.970 137 Q CA 2.174 57.996 55.803 0.033 0.000 0.865 137 Q CB 0.250 29.002 28.738 0.024 0.000 0.922 137 Q HN 0.138 8.425 8.270 0.029 0.000 0.445 138 Q N -1.466 118.347 119.800 0.022 0.000 2.354 138 Q HA -0.237 nan 4.340 nan 0.000 0.310 138 Q C -0.866 175.144 176.000 0.017 0.000 1.104 138 Q CA 0.908 56.719 55.803 0.014 0.000 0.968 138 Q CB 0.444 29.186 28.738 0.008 0.000 1.251 138 Q HN -0.264 8.161 8.270 0.023 -0.141 0.411 139 S N 2.451 118.156 115.700 0.008 0.000 2.592 139 S HA 0.353 nan 4.470 nan 0.000 0.271 139 S C -0.744 173.863 174.600 0.012 0.000 1.326 139 S CA 0.079 58.284 58.200 0.008 0.000 1.024 139 S CB 0.784 63.983 63.200 -0.001 0.000 0.921 139 S HN 0.106 8.418 8.310 0.003 0.000 0.527 140 I N 2.457 123.037 120.570 0.017 0.000 2.474 140 I HA 0.325 nan 4.170 nan 0.000 0.294 140 I C -2.133 173.995 176.117 0.018 0.000 1.005 140 I CA -0.544 60.769 61.300 0.022 0.000 1.113 140 I CB 2.460 40.480 38.000 0.033 0.000 1.289 140 I HN 0.119 8.339 8.210 0.017 0.000 0.436 141 V N 6.690 126.613 119.914 0.016 0.000 2.656 141 V HA 0.661 nan 4.120 nan 0.000 0.307 141 V C -1.709 174.398 176.094 0.022 0.000 1.051 141 V CA -1.768 60.539 62.300 0.013 0.000 0.893 141 V CB 2.344 34.167 31.823 0.000 0.000 0.999 141 V HN 0.131 8.332 8.190 0.017 0.000 0.426 142 V N 7.644 127.576 119.914 0.030 0.000 2.588 142 V HA 0.393 nan 4.120 nan 0.000 0.304 142 V C -1.910 174.210 176.094 0.045 0.000 1.042 142 V CA -1.209 61.116 62.300 0.042 0.000 0.877 142 V CB 3.557 35.413 31.823 0.056 0.000 0.996 142 V HN 0.604 8.811 8.190 0.029 0.000 0.425 143 E N 6.376 126.606 120.200 0.049 0.000 2.052 143 E HA 0.178 nan 4.350 nan 0.000 0.283 143 E C 0.263 176.924 176.600 0.102 0.000 1.071 143 E CA -1.055 55.383 56.400 0.064 0.000 0.851 143 E CB 0.692 30.436 29.700 0.074 0.000 1.066 143 E HN 0.477 8.865 8.360 0.048 0.000 0.396 144 A N 8.109 131.005 122.820 0.127 0.000 2.070 144 A HA -0.194 nan 4.320 nan 0.000 0.220 144 A C 0.934 178.623 177.584 0.175 0.000 1.159 144 A CA 2.542 54.672 52.037 0.155 0.000 0.656 144 A CB -0.462 18.655 19.000 0.195 0.000 0.800 144 A HN 0.813 8.936 8.150 0.116 0.097 0.453 145 E N -2.113 118.222 120.200 0.225 0.000 2.233 145 E HA -0.244 nan 4.350 nan 0.000 0.199 145 E C 0.069 176.756 176.600 0.145 0.000 1.004 145 E CA 1.111 57.651 56.400 0.234 0.000 0.819 145 E CB 0.128 30.000 29.700 0.288 0.000 0.738 145 E HN 0.090 8.553 8.360 0.241 0.041 0.478 146 E N -3.380 116.883 120.200 0.105 0.000 6.574 146 E HA -0.290 nan 4.350 nan 0.000 0.171 146 E C -1.068 175.555 176.600 0.038 0.000 1.464 146 E CA 0.860 57.297 56.400 0.061 0.000 2.498 146 E CB -0.065 29.661 29.700 0.043 0.000 1.837 146 E HN -0.240 8.148 8.360 0.111 0.039 0.466 147 T N 1.093 115.652 114.554 0.009 0.000 3.172 147 T HA 0.183 nan 4.350 nan 0.000 0.320 147 T C -1.461 173.217 174.700 -0.038 0.000 1.085 147 T CA -0.496 61.598 62.100 -0.012 0.000 1.052 147 T CB 0.961 69.826 68.868 -0.005 0.000 1.107 147 T HN -0.013 8.228 8.240 0.003 0.000 0.458 148 G N 3.200 111.956 108.800 -0.073 0.000 2.742 148 G HA2 0.143 nan 3.960 nan 0.000 0.296 148 G HA3 0.143 nan 3.960 nan 0.000 0.296 148 G C -1.339 173.486 174.900 -0.124 0.000 1.436 148 G CA 0.088 45.129 45.100 -0.099 0.000 0.928 148 G HN -0.096 8.146 8.290 -0.080 0.000 0.520 149 N N 2.756 121.402 118.700 -0.090 0.000 2.434 149 N HA -0.025 nan 4.740 nan 0.000 0.273 149 N C -0.114 175.330 175.510 -0.111 0.000 1.210 149 N CA -0.368 52.634 53.050 -0.081 0.000 0.992 149 N CB -0.237 38.225 38.487 -0.043 0.000 1.355 149 N HN 0.251 8.591 8.380 -0.067 0.000 0.495 150 I N 5.879 126.346 120.570 -0.171 0.000 2.471 150 I HA -0.141 nan 4.170 nan 0.000 0.294 150 I C 0.207 176.276 176.117 -0.079 0.000 1.123 150 I CA 0.587 61.760 61.300 -0.210 0.000 1.336 150 I CB -0.577 37.214 38.000 -0.349 0.000 1.430 150 I HN 0.040 8.113 8.210 -0.178 0.030 0.533 151 L N 7.432 128.638 121.223 -0.028 0.000 2.127 151 L HA -0.113 nan 4.340 nan 0.000 0.203 151 L C 0.338 177.235 176.870 0.045 0.000 1.080 151 L CA 1.279 56.126 54.840 0.012 0.000 0.768 151 L CB -0.199 41.876 42.059 0.026 0.000 0.924 151 L HN 0.187 8.401 8.230 -0.027 0.000 0.444 152 D N -1.448 119.002 120.400 0.083 0.000 2.256 152 D HA 0.238 nan 4.640 nan 0.000 0.250 152 D C -0.780 175.612 176.300 0.153 0.000 1.093 152 D CA -2.417 51.657 54.000 0.122 0.000 0.882 152 D CB 1.007 41.904 40.800 0.162 0.000 1.185 152 D HN -0.526 7.893 8.370 0.081 0.000 0.437 153 P HA -0.082 nan 4.420 nan 0.000 0.226 153 P C 0.535 177.919 177.300 0.139 0.000 1.153 153 P CA 1.327 64.499 63.100 0.121 0.000 0.777 153 P CB 0.293 32.039 31.700 0.077 0.000 0.794 154 E N -0.499 119.793 120.200 0.154 0.000 2.265 154 E HA -0.275 nan 4.350 nan 0.000 0.196 154 E C 1.492 178.182 176.600 0.150 0.000 0.996 154 E CA 2.234 58.719 56.400 0.143 0.000 0.832 154 E CB -0.616 29.190 29.700 0.176 0.000 0.756 154 E HN -0.286 8.422 8.360 0.157 -0.254 0.491 155 Y N 0.592 120.954 120.300 0.104 0.000 2.256 155 Y HA -0.384 nan 4.550 nan 0.000 0.288 155 Y C 1.577 177.534 175.900 0.095 0.000 1.155 155 Y CA 3.309 61.475 58.100 0.110 0.000 1.203 155 Y CB 0.041 38.557 38.460 0.092 0.000 0.980 155 Y HN -0.479 7.841 8.280 0.324 0.155 0.530 156 K N -2.190 118.305 120.400 0.158 0.000 2.103 156 K HA -0.341 nan 4.320 nan 0.000 0.207 156 K C 2.344 178.955 176.600 0.020 0.000 1.048 156 K CA 2.309 58.675 56.287 0.131 0.000 0.930 156 K CB -0.842 31.733 32.500 0.125 0.000 0.716 156 K HN -0.255 7.965 8.250 0.206 0.154 0.444 157 L N -2.295 118.846 121.223 -0.137 0.000 2.376 157 L HA -0.165 nan 4.340 nan 0.000 0.219 157 L C 1.452 178.048 176.870 -0.457 0.000 1.133 157 L CA 1.383 55.999 54.840 -0.374 0.000 0.816 157 L CB -0.842 41.089 42.059 -0.214 0.000 0.933 157 L HN -0.442 7.616 8.230 -0.061 0.135 0.449 158 S N 0.905 116.410 115.700 -0.325 0.000 2.402 158 S HA -0.398 nan 4.470 nan 0.000 0.233 158 S C 1.768 176.262 174.600 -0.176 0.000 1.030 158 S CA 3.894 61.933 58.200 -0.268 0.000 1.003 158 S CB -0.330 62.569 63.200 -0.503 0.000 0.813 158 S HN 0.085 8.008 8.310 -0.329 0.189 0.477 159 Y N -0.551 119.733 120.300 -0.027 0.000 2.181 159 Y HA -0.365 nan 4.550 nan 0.000 0.288 159 Y C 1.086 177.053 175.900 0.111 0.000 1.146 159 Y CA 1.697 59.830 58.100 0.054 0.000 1.164 159 Y CB -0.969 37.532 38.460 0.069 0.000 0.982 159 Y HN -0.779 7.389 8.280 -0.149 0.022 0.515 160 F N 0.288 119.856 119.950 -0.637 0.000 2.098 160 F HA -0.241 nan 4.527 nan 0.000 0.294 160 F C 2.350 178.084 175.800 -0.109 0.000 1.107 160 F CA 2.838 60.690 58.000 -0.247 0.000 1.234 160 F CB 0.626 39.419 39.000 -0.344 0.000 1.002 160 F HN -0.345 7.112 8.300 -1.235 0.102 0.472 161 R N -1.624 118.948 120.500 0.121 0.000 2.075 161 R HA -0.268 nan 4.340 nan 0.000 0.232 161 R C 1.843 178.088 176.300 -0.092 0.000 1.126 161 R CA 2.809 58.967 56.100 0.096 0.000 0.963 161 R CB -0.122 30.234 30.300 0.094 0.000 0.858 161 R HN -0.216 8.090 8.270 0.060 0.000 0.435 162 E N -3.775 116.381 120.200 -0.073 0.000 2.427 162 E HA -0.022 nan 4.350 nan 0.000 0.196 162 E C -0.531 176.023 176.600 -0.077 0.000 1.028 162 E CA 0.336 56.701 56.400 -0.057 0.000 0.864 162 E CB 0.348 30.047 29.700 -0.001 0.000 0.813 162 E HN -0.373 7.835 8.360 -0.062 0.115 0.514 163 D N 0.445 120.781 120.400 -0.106 0.000 2.525 163 D HA -0.152 nan 4.640 nan 0.000 0.235 163 D C 0.578 176.825 176.300 -0.089 0.000 1.137 163 D CA 0.819 54.773 54.000 -0.078 0.000 0.868 163 D CB 0.909 41.658 40.800 -0.085 0.000 1.180 163 D HN -0.910 7.205 8.370 -0.147 0.167 0.465 164 I N 6.218 126.745 120.570 -0.071 0.000 2.252 164 I HA -0.225 nan 4.170 nan 0.000 0.245 164 I C 1.054 177.221 176.117 0.082 0.000 1.102 164 I CA 2.951 64.288 61.300 0.061 0.000 1.385 164 I CB 0.501 38.407 38.000 -0.158 0.000 1.064 164 I HN 0.424 8.551 8.210 -0.139 0.000 0.414 165 G N -0.888 107.912 108.800 -0.000 0.000 2.418 165 G HA2 -0.283 nan 3.960 nan 0.000 0.217 165 G HA3 -0.283 nan 3.960 nan 0.000 0.217 165 G C 1.391 176.208 174.900 -0.138 0.000 1.158 165 G CA 2.247 47.334 45.100 -0.022 0.000 0.771 165 G HN -0.229 8.262 8.290 0.007 -0.197 0.545 166 I N 2.166 122.545 120.570 -0.317 0.000 2.179 166 I HA -0.461 nan 4.170 nan 0.000 0.242 166 I C 1.774 177.777 176.117 -0.190 0.000 1.088 166 I CA 2.665 63.651 61.300 -0.525 0.000 1.357 166 I CB -1.036 36.553 38.000 -0.685 0.000 1.051 166 I HN -0.361 7.939 8.210 -0.274 -0.255 0.409 167 N N -0.076 118.573 118.700 -0.085 0.000 2.120 167 N HA -0.293 nan 4.740 nan 0.000 0.188 167 N C 2.201 177.819 175.510 0.181 0.000 1.024 167 N CA 3.473 56.526 53.050 0.005 0.000 0.852 167 N CB -0.360 38.058 38.487 -0.115 0.000 1.003 167 N HN -0.591 7.718 8.380 -0.118 0.000 0.424 168 A N -0.005 122.969 122.820 0.257 0.000 1.902 168 A HA -0.271 nan 4.320 nan 0.000 0.217 168 A C 1.848 179.594 177.584 0.270 0.000 1.181 168 A CA 3.058 55.245 52.037 0.250 0.000 0.623 168 A CB -0.727 18.424 19.000 0.251 0.000 0.818 168 A HN -0.153 8.032 8.150 0.226 0.102 0.443 169 H N 0.178 119.389 119.070 0.235 0.000 2.321 169 H HA -0.404 nan 4.556 nan 0.000 0.300 169 H C 1.800 177.361 175.328 0.390 0.000 1.087 169 H CA 3.993 60.241 56.048 0.333 0.000 1.319 169 H CB 0.091 29.938 29.762 0.141 0.000 1.379 169 H HN -0.084 8.367 8.280 0.286 0.000 0.501 170 H N -0.399 118.807 119.070 0.227 0.000 2.387 170 H HA -0.364 nan 4.556 nan 0.000 0.299 170 H C 2.553 178.093 175.328 0.353 0.000 1.090 170 H CA 3.193 59.381 56.048 0.233 0.000 1.332 170 H CB 0.348 30.226 29.762 0.193 0.000 1.386 170 H HN -0.449 8.076 8.280 0.408 0.000 0.516 171 W N 0.390 121.738 121.300 0.080 0.000 2.355 171 W HA -0.413 nan 4.660 nan 0.000 0.309 171 W C 1.600 178.088 176.519 -0.051 0.000 1.206 171 W CA 4.134 61.460 57.345 -0.031 0.000 1.284 171 W CB -0.327 29.030 29.460 -0.171 0.000 1.145 171 W HN -0.199 8.236 8.180 0.424 0.000 0.502 172 H N -2.483 116.770 119.070 0.305 0.000 2.387 172 H HA -0.364 nan 4.556 nan 0.000 0.299 172 H C 2.221 177.554 175.328 0.009 0.000 1.090 172 H CA 4.209 60.343 56.048 0.144 0.000 1.332 172 H CB -0.264 29.590 29.762 0.153 0.000 1.386 172 H HN -0.322 7.948 8.280 0.112 0.078 0.516 173 W N 0.246 121.487 121.300 -0.098 0.000 2.358 173 W HA -0.456 nan 4.660 nan 0.000 0.303 173 W C 1.795 178.278 176.519 -0.060 0.000 1.208 173 W CA 4.888 62.159 57.345 -0.123 0.000 1.274 173 W CB -0.119 29.168 29.460 -0.287 0.000 1.138 173 W HN 0.522 8.787 8.180 0.142 0.000 0.515 174 H N -3.030 116.209 119.070 0.281 0.000 2.421 174 H HA -0.316 nan 4.556 nan 0.000 0.298 174 H C 2.519 177.818 175.328 -0.049 0.000 1.087 174 H CA 4.291 60.459 56.048 0.199 0.000 1.330 174 H CB -0.153 29.658 29.762 0.082 0.000 1.388 174 H HN -0.641 7.812 8.280 0.289 0.000 0.526 175 I N -0.770 119.722 120.570 -0.129 0.000 2.252 175 I HA -0.319 nan 4.170 nan 0.000 0.245 175 I C 1.638 177.698 176.117 -0.094 0.000 1.102 175 I CA 2.751 63.938 61.300 -0.188 0.000 1.385 175 I CB -0.200 37.658 38.000 -0.236 0.000 1.064 175 I HN -0.703 7.287 8.210 -0.157 0.125 0.414 176 V N -4.464 115.314 119.914 -0.226 0.000 2.427 176 V HA -0.218 nan 4.120 nan 0.000 0.248 176 V C 0.189 175.838 176.094 -0.741 0.000 1.051 176 V CA 2.846 64.885 62.300 -0.434 0.000 1.048 176 V CB 0.037 31.540 31.823 -0.534 0.000 0.666 176 V HN -0.591 7.378 8.190 -0.209 0.095 0.456 177 Y N -1.711 118.241 120.300 -0.581 0.000 2.842 177 Y HA 0.445 nan 4.550 nan 0.000 0.334 177 Y C -2.346 173.403 175.900 -0.252 0.000 1.019 177 Y CA -3.161 54.599 58.100 -0.566 0.000 1.258 177 Y CB -0.004 37.937 38.460 -0.865 0.000 1.106 177 Y HN -0.297 7.670 8.280 -0.522 0.000 0.545 178 P HA 0.075 nan 4.420 nan 0.000 0.278 178 P C -0.272 177.137 177.300 0.181 0.000 1.238 178 P CA -0.737 62.466 63.100 0.171 0.000 0.794 178 P CB 0.422 32.218 31.700 0.159 0.000 0.955 179 A N 3.542 126.472 122.820 0.183 0.000 1.930 179 A HA -0.205 nan 4.320 nan 0.000 0.217 179 A C 1.075 178.722 177.584 0.105 0.000 1.175 179 A CA 3.128 55.242 52.037 0.129 0.000 0.627 179 A CB -0.477 18.575 19.000 0.088 0.000 0.815 179 A HN 0.571 8.845 8.150 0.208 0.000 0.443 180 T N -5.807 108.807 114.554 0.100 0.000 3.035 180 T HA -0.204 nan 4.350 nan 0.000 0.268 180 T C 0.849 175.584 174.700 0.057 0.000 1.109 180 T CA 0.132 62.278 62.100 0.077 0.000 1.119 180 T CB -0.451 68.491 68.868 0.123 0.000 0.900 180 T HN 0.019 8.299 8.240 0.110 0.026 0.503 181 W N 3.507 124.731 121.300 -0.127 0.000 2.513 181 W HA -0.383 nan 4.660 nan 0.000 0.339 181 W C -1.774 174.666 176.519 -0.130 0.000 1.257 181 W CA 1.289 58.520 57.345 -0.191 0.000 1.280 181 W CB -0.178 29.171 29.460 -0.184 0.000 1.214 181 W HN -0.748 7.374 8.180 0.232 0.198 0.567 182 N N 8.032 126.382 118.700 -0.583 0.000 2.479 182 N HA 0.341 nan 4.740 nan 0.000 0.261 182 N C -1.664 173.470 175.510 -0.627 0.000 0.979 182 N CA -3.077 49.731 53.050 -0.403 0.000 0.930 182 N CB 1.991 40.305 38.487 -0.287 0.000 1.172 182 N HN -0.057 7.796 8.380 -0.878 0.000 0.499 183 P HA -0.056 nan 4.420 nan 0.000 0.221 183 P C 0.856 178.055 177.300 -0.168 0.000 1.150 183 P CA 1.750 64.755 63.100 -0.159 0.000 0.800 183 P CB 0.454 32.234 31.700 0.134 0.000 0.787 184 T N -4.949 109.520 114.554 -0.143 0.000 2.737 184 T HA -0.238 nan 4.350 nan 0.000 0.265 184 T C 1.550 176.159 174.700 -0.152 0.000 1.038 184 T CA 3.033 65.069 62.100 -0.107 0.000 1.144 184 T CB -0.527 68.296 68.868 -0.075 0.000 0.866 184 T HN 0.334 8.772 8.240 -0.138 -0.281 0.434 185 V N 1.474 121.254 119.914 -0.224 0.000 2.261 185 V HA -0.282 nan 4.120 nan 0.000 0.246 185 V C 1.946 177.870 176.094 -0.283 0.000 1.047 185 V CA 2.792 64.954 62.300 -0.229 0.000 1.015 185 V CB -0.240 31.426 31.823 -0.261 0.000 0.642 185 V HN -0.491 7.759 8.190 -0.240 -0.205 0.446 186 M N -2.421 116.893 119.600 -0.477 0.000 2.132 186 M HA -0.151 nan 4.480 nan 0.000 0.263 186 M C 1.439 177.603 176.300 -0.226 0.000 1.065 186 M CA 1.413 56.417 55.300 -0.494 0.000 1.122 186 M CB 0.365 32.450 32.600 -0.858 0.000 1.365 186 M HN -0.309 7.614 8.290 -0.611 0.000 0.411 187 G N -3.192 105.508 108.800 -0.166 0.000 2.345 187 G HA2 -0.397 nan 3.960 nan 0.000 0.218 187 G HA3 -0.397 nan 3.960 nan 0.000 0.218 187 G C -1.637 173.269 174.900 0.010 0.000 1.058 187 G CA 0.375 45.441 45.100 -0.057 0.000 0.632 187 G HN 0.133 8.087 8.290 -0.223 0.202 0.508 188 K N 0.829 121.261 120.400 0.053 0.000 2.087 188 K HA 0.165 nan 4.320 nan 0.000 0.255 188 K C -1.308 175.478 176.600 0.310 0.000 0.988 188 K CA -1.299 55.085 56.287 0.162 0.000 0.915 188 K CB 1.013 33.631 32.500 0.197 0.000 1.043 188 K HN -0.289 7.860 8.250 -0.003 0.098 0.457 189 E N -0.942 119.411 120.200 0.254 0.000 2.277 189 E HA 0.210 nan 4.350 nan 0.000 0.266 189 E C -0.889 175.757 176.600 0.077 0.000 0.901 189 E CA -1.975 54.597 56.400 0.287 0.000 0.782 189 E CB 2.194 32.006 29.700 0.187 0.000 1.228 189 E HN 0.045 8.504 8.360 0.165 0.000 0.424 190 K N 1.128 121.458 120.400 -0.117 0.000 2.262 190 K HA 0.136 nan 4.320 nan 0.000 0.282 190 K C -0.665 175.941 176.600 0.009 0.000 1.066 190 K CA -1.502 54.654 56.287 -0.217 0.000 0.901 190 K CB 0.208 32.430 32.500 -0.464 0.000 1.089 190 K HN 0.387 8.596 8.250 -0.068 0.000 0.476 191 D N 4.154 124.593 120.400 0.065 0.000 2.425 191 D HA -0.080 nan 4.640 nan 0.000 0.247 191 D C 0.118 176.480 176.300 0.103 0.000 1.147 191 D CA 1.086 55.141 54.000 0.091 0.000 0.879 191 D CB 0.344 41.203 40.800 0.100 0.000 1.179 191 D HN 0.142 8.539 8.370 0.045 0.000 0.456 192 R N -0.283 120.256 120.500 0.066 0.000 3.416 192 R HA -0.506 nan 4.340 nan 0.000 0.263 192 R C 0.656 176.964 176.300 0.013 0.000 1.053 192 R CA 0.984 57.102 56.100 0.030 0.000 0.705 192 R CB -2.267 28.020 30.300 -0.022 0.000 1.124 192 R HN 0.737 9.049 8.270 0.069 0.000 0.444 193 K N -1.556 118.871 120.400 0.045 0.000 2.097 193 K HA -0.222 nan 4.320 nan 0.000 0.205 193 K C 1.670 178.311 176.600 0.068 0.000 1.050 193 K CA 2.780 59.063 56.287 -0.005 0.000 0.938 193 K CB -0.636 31.943 32.500 0.132 0.000 0.718 193 K HN -0.359 7.933 8.250 0.070 0.000 0.442 194 G N -0.671 108.192 108.800 0.105 0.000 2.418 194 G HA2 -0.322 nan 3.960 nan 0.000 0.217 194 G HA3 -0.322 nan 3.960 nan 0.000 0.217 194 G C 0.875 175.904 174.900 0.216 0.000 1.158 194 G CA 2.049 47.244 45.100 0.158 0.000 0.771 194 G HN -0.162 8.340 8.290 0.085 -0.161 0.545 195 E N 1.589 121.867 120.200 0.129 0.000 2.106 195 E HA -0.185 nan 4.350 nan 0.000 0.192 195 E C 1.891 178.593 176.600 0.170 0.000 0.984 195 E CA 2.184 58.662 56.400 0.130 0.000 0.806 195 E CB -0.249 29.469 29.700 0.029 0.000 0.750 195 E HN -0.608 7.900 8.360 0.082 -0.098 0.458 196 L N 0.029 121.304 121.223 0.087 0.000 2.083 196 L HA -0.335 nan 4.340 nan 0.000 0.209 196 L C 1.258 178.270 176.870 0.235 0.000 1.083 196 L CA 3.144 58.042 54.840 0.097 0.000 0.752 196 L CB -0.285 41.708 42.059 -0.109 0.000 0.899 196 L HN -0.038 8.134 8.230 0.028 0.075 0.433 197 F N 0.689 120.760 119.950 0.200 0.000 2.095 197 F HA -0.483 nan 4.527 nan 0.000 0.298 197 F C 1.163 176.967 175.800 0.007 0.000 1.104 197 F CA 4.169 62.288 58.000 0.200 0.000 1.232 197 F CB -0.065 39.061 39.000 0.210 0.000 0.987 197 F HN 0.214 8.673 8.300 0.405 0.083 0.475 198 F N 0.263 120.111 119.950 -0.170 0.000 2.102 198 F HA -0.484 nan 4.527 nan 0.000 0.298 198 F C 0.803 176.349 175.800 -0.424 0.000 1.105 198 F CA 3.732 61.361 58.000 -0.617 0.000 1.239 198 F CB -0.103 38.428 39.000 -0.781 0.000 0.991 198 F HN -0.476 7.937 8.300 0.327 0.083 0.474 199 Y N -0.117 119.835 120.300 -0.581 0.000 2.163 199 Y HA -0.529 nan 4.550 nan 0.000 0.288 199 Y C 1.513 177.053 175.900 -0.600 0.000 1.136 199 Y CA 3.800 61.532 58.100 -0.612 0.000 1.147 199 Y CB 0.109 38.458 38.460 -0.184 0.000 0.987 199 Y HN 0.081 8.330 8.280 0.076 0.077 0.509 200 M N -0.746 118.528 119.600 -0.545 0.000 2.086 200 M HA -0.469 nan 4.480 nan 0.000 0.261 200 M C 1.908 177.671 176.300 -0.895 0.000 1.067 200 M CA 2.730 57.568 55.300 -0.770 0.000 1.116 200 M CB -0.414 31.590 32.600 -0.993 0.000 1.348 200 M HN 0.330 8.442 8.290 -0.296 0.000 0.407 201 H N -1.633 116.938 119.070 -0.832 0.000 2.389 201 H HA -0.266 nan 4.556 nan 0.000 0.299 201 H C 2.503 177.519 175.328 -0.519 0.000 1.081 201 H CA 4.621 60.315 56.048 -0.589 0.000 1.345 201 H CB -0.336 29.101 29.762 -0.542 0.000 1.393 201 H HN -0.498 7.344 8.280 -0.730 0.000 0.520 202 Q N -0.566 118.840 119.800 -0.655 0.000 2.084 202 Q HA -0.354 nan 4.340 nan 0.000 0.202 202 Q C 2.392 178.076 176.000 -0.526 0.000 0.978 202 Q CA 3.329 58.768 55.803 -0.606 0.000 0.844 202 Q CB -0.349 27.821 28.738 -0.947 0.000 0.898 202 Q HN -0.196 7.442 8.270 -0.886 0.101 0.426 203 Q N -0.686 118.652 119.800 -0.770 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 -0.544 0.000 0.977 203 Q CA 2.695 58.053 55.803 -0.742 0.000 0.850 203 Q CB -0.313 27.729 28.738 -1.160 0.000 0.901 203 Q HN 0.017 7.688 8.270 -0.999 0.000 0.429 204 M N -0.078 119.242 119.600 -0.467 0.000 2.117 204 M HA -0.393 nan 4.480 nan 0.000 0.262 204 M C 2.302 178.650 176.300 0.080 0.000 1.065 204 M CA 4.389 59.611 55.300 -0.131 0.000 1.114 204 M CB -0.080 32.520 32.600 0.000 0.000 1.361 204 M HN -0.138 7.735 8.290 -0.575 0.072 0.408 205 C N -0.998 118.333 119.300 0.051 0.000 2.446 205 C HA -0.342 nan 4.460 nan 0.000 0.277 205 C C 1.829 176.847 174.990 0.047 0.000 1.275 205 C CA 4.048 63.165 59.018 0.164 0.000 1.727 205 C CB -2.106 25.706 27.740 0.121 0.000 2.010 205 C HN -0.107 8.090 8.230 -0.054 0.000 0.486 206 A N -0.040 122.733 122.820 -0.079 0.000 1.902 206 A HA -0.339 nan 4.320 nan 0.000 0.217 206 A C 1.935 179.452 177.584 -0.110 0.000 1.181 206 A CA 3.370 55.346 52.037 -0.102 0.000 0.623 206 A CB -0.952 17.966 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 -1.964 118.461 120.500 -0.125 0.000 2.096 207 R HA -0.352 nan 4.340 nan 0.000 0.235 207 R C 2.268 178.408 176.300 -0.267 0.000 1.127 207 R CA 3.163 59.197 56.100 -0.111 0.000 0.968 207 R CB -0.047 30.261 30.300 0.014 0.000 0.861 207 R HN 0.230 8.294 8.270 -0.151 0.116 0.440 208 Y N 1.067 121.083 120.300 -0.473 0.000 2.181 208 Y HA -0.427 nan 4.550 nan 0.000 0.288 208 Y C 1.377 176.965 175.900 -0.519 0.000 1.146 208 Y CA 3.248 60.865 58.100 -0.805 0.000 1.164 208 Y CB -0.095 37.871 38.460 -0.824 0.000 0.982 208 Y HN -0.096 8.067 8.280 -0.058 0.082 0.515 209 D N -1.693 118.538 120.400 -0.282 0.000 2.178 209 D HA -0.341 nan 4.640 nan 0.000 0.201 209 D C 2.620 178.763 176.300 -0.263 0.000 0.980 209 D CA 3.335 57.179 54.000 -0.259 0.000 0.842 209 D CB -0.834 39.898 40.800 -0.112 0.000 0.948 209 D HN 0.192 8.433 8.370 -0.101 0.068 0.472 210 S N -1.243 114.336 115.700 -0.201 0.000 2.423 210 S HA -0.245 nan 4.470 nan 0.000 0.231 210 S C 1.919 176.462 174.600 -0.095 0.000 1.014 210 S CA 3.437 61.594 58.200 -0.071 0.000 0.965 210 S CB -0.240 62.965 63.200 0.008 0.000 0.785 210 S HN -0.303 7.800 8.310 -0.194 0.089 0.495 211 E N 1.458 121.488 120.200 -0.284 0.000 2.072 211 E HA -0.258 nan 4.350 nan 0.000 0.191 211 E C 2.604 179.045 176.600 -0.265 0.000 0.985 211 E CA 2.828 59.077 56.400 -0.251 0.000 0.801 211 E CB -0.454 28.953 29.700 -0.488 0.000 0.750 211 E HN -0.507 7.457 8.360 -0.440 0.132 0.452 212 R N -0.585 119.647 120.500 -0.447 0.000 2.081 212 R HA -0.279 nan 4.340 nan 0.000 0.235 212 R C 2.729 178.929 176.300 -0.167 0.000 1.131 212 R CA 3.313 59.211 56.100 -0.337 0.000 0.960 212 R CB -0.134 29.944 30.300 -0.370 0.000 0.856 212 R HN -0.457 7.359 8.270 -0.632 0.076 0.436 213 L N -1.171 119.971 121.223 -0.135 0.000 2.083 213 L HA -0.269 nan 4.340 nan 0.000 0.209 213 L C 2.732 179.580 176.870 -0.037 0.000 1.083 213 L CA 3.120 57.913 54.840 -0.078 0.000 0.752 213 L CB -0.577 41.437 42.059 -0.075 0.000 0.899 213 L HN -0.047 8.081 8.230 -0.170 0.000 0.433 214 S N 0.608 116.320 115.700 0.021 0.000 2.382 214 S HA -0.378 nan 4.470 nan 0.000 0.228 214 S C 1.634 176.246 174.600 0.021 0.000 1.027 214 S CA 3.961 62.209 58.200 0.080 0.000 0.991 214 S CB -0.430 62.853 63.200 0.139 0.000 0.823 214 S HN -0.019 8.189 8.310 0.004 0.105 0.469 215 N N -2.099 116.597 118.700 -0.008 0.000 2.396 215 N HA -0.232 nan 4.740 nan 0.000 0.180 215 N C 0.314 175.809 175.510 -0.025 0.000 1.028 215 N CA 1.396 54.438 53.050 -0.012 0.000 0.893 215 N CB 0.297 38.767 38.487 -0.028 0.000 0.967 215 N HN -0.232 8.027 8.380 -0.029 0.104 0.440 216 G N -2.578 106.197 108.800 -0.041 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 -0.756 174.120 174.900 -0.041 0.000 0.988 216 G CA -0.100 44.974 45.100 -0.044 0.000 0.659 216 G HN -0.432 7.643 8.290 -0.048 0.187 0.522 217 L N -1.052 120.139 121.223 -0.054 0.000 2.375 217 L HA 0.293 nan 4.340 nan 0.000 0.268 217 L C -0.612 176.223 176.870 -0.058 0.000 1.058 217 L CA -1.287 53.523 54.840 -0.050 0.000 0.803 217 L CB 1.867 43.887 42.059 -0.064 0.000 1.212 217 L HN 0.200 8.251 8.230 -0.066 0.139 0.451 218 Q N -2.409 117.369 119.800 -0.037 0.000 2.318 218 Q HA 0.129 nan 4.340 nan 0.000 0.222 218 Q C -0.619 175.357 176.000 -0.041 0.000 1.003 218 Q CA -0.818 54.965 55.803 -0.033 0.000 0.936 218 Q CB 1.096 29.827 28.738 -0.012 0.000 1.204 218 Q HN 0.049 8.306 8.270 -0.023 0.000 0.524 219 R N -0.821 119.658 120.500 -0.035 0.000 2.641 219 R HA -0.067 nan 4.340 nan 0.000 0.269 219 R C 0.093 176.406 176.300 0.022 0.000 1.074 219 R CA 0.029 56.112 56.100 -0.028 0.000 1.133 219 R CB 0.538 30.822 30.300 -0.027 0.000 1.029 219 R HN -0.267 8.140 8.270 -0.034 -0.158 0.488 220 M N 1.498 121.139 119.600 0.069 0.000 2.248 220 M HA -0.067 nan 4.480 nan 0.000 0.337 220 M C 0.523 176.888 176.300 0.107 0.000 1.121 220 M CA 0.265 55.643 55.300 0.131 0.000 1.155 220 M CB 0.588 33.323 32.600 0.224 0.000 1.514 220 M HN 0.084 8.596 8.290 0.063 -0.184 0.452 221 I N 3.111 123.750 120.570 0.115 0.000 2.460 221 I HA 0.439 nan 4.170 nan 0.000 0.298 221 I C -1.637 174.563 176.117 0.139 0.000 0.989 221 I CA -3.448 57.915 61.300 0.105 0.000 1.173 221 I CB 1.707 39.760 38.000 0.088 0.000 1.338 221 I HN -0.042 8.245 8.210 0.128 0.000 0.456 222 P HA -0.012 nan 4.420 nan 0.000 0.269 222 P C -1.052 176.385 177.300 0.228 0.000 1.217 222 P CA -0.517 62.699 63.100 0.194 0.000 0.783 222 P CB 0.558 32.382 31.700 0.206 0.000 0.898 223 F N 3.704 123.667 119.950 0.022 0.000 2.666 223 F HA -0.062 nan 4.527 nan 0.000 0.362 223 F C -0.975 174.634 175.800 -0.318 0.000 1.190 223 F CA -1.688 56.226 58.000 -0.143 0.000 1.328 223 F CB -1.300 37.587 39.000 -0.188 0.000 1.682 223 F HN -0.135 8.257 8.300 0.286 0.079 0.623 224 H N 2.905 121.864 119.070 -0.185 0.000 2.357 224 H HA -0.188 nan 4.556 nan 0.000 0.301 224 H C -0.670 174.465 175.328 -0.321 0.000 1.082 224 H CA 2.874 58.900 56.048 -0.037 0.000 1.342 224 H CB 0.596 30.412 29.762 0.090 0.000 1.389 224 H HN -0.402 7.872 8.280 0.098 0.064 0.511 225 N N -2.547 115.963 118.700 -0.317 0.000 2.419 225 N HA -0.048 nan 4.740 nan 0.000 0.277 225 N C 0.620 175.671 175.510 -0.764 0.000 1.006 225 N CA -1.081 51.810 53.050 -0.265 0.000 0.923 225 N CB 0.505 38.939 38.487 -0.089 0.000 1.140 225 N HN -0.368 7.738 8.380 -0.419 0.023 0.488 226 F N 4.372 124.008 119.950 -0.524 0.000 2.367 226 F HA -0.115 nan 4.527 nan 0.000 0.298 226 F C 0.566 176.256 175.800 -0.184 0.000 1.094 226 F CA 2.365 60.114 58.000 -0.418 0.000 1.409 226 F CB 0.232 39.141 39.000 -0.151 0.000 1.064 226 F HN 0.604 8.997 8.300 0.155 0.000 0.528 227 D N -3.937 116.475 120.400 0.020 0.000 2.144 227 D HA -0.176 nan 4.640 nan 0.000 0.199 227 D C 0.322 176.642 176.300 0.034 0.000 0.984 227 D CA 2.305 56.326 54.000 0.035 0.000 0.834 227 D CB 0.051 40.863 40.800 0.020 0.000 0.955 227 D HN -0.510 8.108 8.370 0.025 -0.232 0.465 228 E N -0.581 119.599 120.200 -0.033 0.000 2.413 228 E HA 0.006 nan 4.350 nan 0.000 0.263 228 E C -1.786 174.927 176.600 0.189 0.000 1.015 228 E CA -1.523 54.905 56.400 0.046 0.000 0.916 228 E CB -0.641 29.062 29.700 0.006 0.000 0.947 228 E HN -0.898 7.334 8.360 -0.167 0.028 0.440 229 P HA 0.195 nan 4.420 nan 0.000 0.275 229 P C -1.781 175.666 177.300 0.244 0.000 1.228 229 P CA -0.314 62.908 63.100 0.203 0.000 0.786 229 P CB 0.674 32.453 31.700 0.131 0.000 0.927 230 L N 1.184 122.556 121.223 0.249 0.000 2.399 230 L HA 0.142 nan 4.340 nan 0.000 0.265 230 L C -0.126 176.863 176.870 0.199 0.000 1.089 230 L CA -0.611 54.334 54.840 0.174 0.000 0.802 230 L CB 0.820 42.903 42.059 0.040 0.000 1.180 230 L HN -0.221 8.251 8.230 0.295 -0.065 0.454 231 E N 0.432 120.724 120.200 0.154 0.000 2.366 231 E HA -0.034 nan 4.350 nan 0.000 0.266 231 E C 0.046 176.756 176.600 0.182 0.000 1.051 231 E CA 0.055 56.555 56.400 0.167 0.000 0.884 231 E CB 0.799 30.587 29.700 0.148 0.000 1.006 231 E HN 0.113 8.543 8.360 0.117 0.000 0.417 232 G N 0.008 108.934 108.800 0.210 0.000 2.476 232 G HA2 0.140 nan 3.960 nan 0.000 0.286 232 G HA3 0.140 nan 3.960 nan 0.000 0.286 232 G C -2.015 173.028 174.900 0.239 0.000 1.177 232 G CA -0.328 44.896 45.100 0.207 0.000 0.870 232 G HN -0.026 8.386 8.290 0.203 0.000 0.528 233 Y N 1.284 121.615 120.300 0.051 0.000 2.441 233 Y HA 0.078 nan 4.550 nan 0.000 0.334 233 Y C -2.311 173.602 175.900 0.022 0.000 1.061 233 Y CA -0.293 57.838 58.100 0.053 0.000 1.032 233 Y CB 3.615 42.099 38.460 0.040 0.000 1.266 233 Y HN -0.178 8.199 8.280 0.161 0.000 0.441 234 A N 7.951 130.321 122.820 -0.750 0.000 2.291 234 A HA 0.507 nan 4.320 nan 0.000 0.311 234 A C -1.755 175.337 177.584 -0.819 0.000 1.224 234 A CA -3.551 48.126 52.037 -0.600 0.000 0.821 234 A CB 0.648 19.357 19.000 -0.486 0.000 1.172 234 A HN 0.476 8.047 8.150 -0.965 0.000 0.494 235 P HA -0.113 nan 4.420 nan 0.000 0.220 235 P C -0.784 176.568 177.300 0.086 0.000 1.152 235 P CA 1.010 64.069 63.100 -0.070 0.000 0.812 235 P CB 0.346 32.112 31.700 0.111 0.000 0.792 236 H N -5.648 113.413 119.070 -0.015 0.000 2.756 236 H HA -0.321 nan 4.556 nan 0.000 0.315 236 H C -1.596 173.781 175.328 0.081 0.000 1.210 236 H CA 0.308 56.375 56.048 0.031 0.000 1.150 236 H CB -1.875 27.902 29.762 0.025 0.000 1.463 236 H HN 0.275 8.333 8.280 -0.370 0.000 0.427 237 L N -2.872 118.467 121.223 0.195 0.000 2.346 237 L HA 0.592 nan 4.340 nan 0.000 0.274 237 L C -0.492 176.507 176.870 0.215 0.000 1.007 237 L CA -0.843 54.137 54.840 0.234 0.000 0.818 237 L CB 2.379 44.641 42.059 0.339 0.000 1.284 237 L HN -0.324 8.006 8.230 0.166 0.000 0.424 238 T N -1.477 113.176 114.554 0.166 0.000 2.940 238 T HA 0.576 nan 4.350 nan 0.000 0.288 238 T C -0.437 174.310 174.700 0.079 0.000 1.033 238 T CA -2.228 59.930 62.100 0.097 0.000 1.033 238 T CB 2.202 71.120 68.868 0.082 0.000 1.079 238 T HN 0.335 8.679 8.240 0.173 0.000 0.496 239 S N 1.519 117.223 115.700 0.007 0.000 2.456 239 S HA 0.433 nan 4.470 nan 0.000 0.316 239 S C 1.407 176.033 174.600 0.043 0.000 1.089 239 S CA -1.966 56.242 58.200 0.013 0.000 1.101 239 S CB 1.543 64.695 63.200 -0.079 0.000 0.995 239 S HN 0.487 8.691 8.310 -0.017 0.095 0.468 240 L N 2.404 123.680 121.223 0.089 0.000 2.362 240 L HA -0.108 nan 4.340 nan 0.000 0.219 240 L C 0.601 177.516 176.870 0.075 0.000 1.134 240 L CA 2.340 57.231 54.840 0.085 0.000 0.807 240 L CB -0.567 41.556 42.059 0.107 0.000 0.927 240 L HN -0.061 8.493 8.230 0.123 -0.250 0.447 241 V N -7.213 112.752 119.914 0.085 0.000 2.515 241 V HA -0.141 nan 4.120 nan 0.000 0.250 241 V C 0.201 176.326 176.094 0.051 0.000 1.058 241 V CA 1.017 63.365 62.300 0.081 0.000 1.064 241 V CB -0.610 31.273 31.823 0.100 0.000 0.675 241 V HN 0.164 8.340 8.190 0.086 0.065 0.461 242 S N -0.444 115.277 115.700 0.035 0.000 3.287 242 S HA 0.155 nan 4.470 nan 0.000 0.324 242 S C 0.627 175.236 174.600 0.015 0.000 1.205 242 S CA -0.420 57.794 58.200 0.023 0.000 1.020 242 S CB 1.337 64.548 63.200 0.019 0.000 1.398 242 S HN -0.799 7.491 8.310 0.033 0.040 0.679 243 G N -0.925 107.881 108.800 0.009 0.000 2.712 243 G HA2 0.068 nan 3.960 nan 0.000 0.212 243 G HA3 0.068 nan 3.960 nan 0.000 0.212 243 G C -0.290 174.608 174.900 -0.003 0.000 1.142 243 G CA 0.547 45.650 45.100 0.006 0.000 0.789 243 G HN 0.307 8.602 8.290 0.008 0.000 0.535 244 L N -0.226 120.986 121.223 -0.017 0.000 2.397 244 L HA 0.433 nan 4.340 nan 0.000 0.266 244 L C -1.011 175.818 176.870 -0.068 0.000 1.040 244 L CA -0.950 53.867 54.840 -0.038 0.000 0.800 244 L CB 2.368 44.400 42.059 -0.045 0.000 1.324 244 L HN -0.614 7.559 8.230 -0.016 0.047 0.469 245 Q N -4.251 115.497 119.800 -0.087 0.000 2.605 245 Q HA 0.310 nan 4.340 nan 0.000 0.296 245 Q C -1.617 174.294 176.000 -0.147 0.000 1.056 245 Q CA -1.843 53.902 55.803 -0.096 0.000 0.778 245 Q CB 3.170 31.910 28.738 0.003 0.000 1.497 245 Q HN -0.181 8.046 8.270 -0.071 0.000 0.443 246 Y N -0.432 119.872 120.300 0.008 0.000 2.442 246 Y HA -0.217 nan 4.550 nan 0.000 0.330 246 Y C -0.294 175.592 175.900 -0.023 0.000 1.129 246 Y CA 0.767 58.870 58.100 0.004 0.000 1.365 246 Y CB 0.431 38.901 38.460 0.017 0.000 1.233 246 Y HN -0.445 7.920 8.280 0.143 0.000 0.529 247 A N 5.377 128.258 122.820 0.102 0.000 2.425 247 A HA 0.059 nan 4.320 nan 0.000 0.249 247 A C -1.330 176.254 177.584 -0.001 0.000 1.084 247 A CA -0.256 51.792 52.037 0.019 0.000 0.781 247 A CB 0.817 19.810 19.000 -0.012 0.000 1.019 247 A HN -0.244 7.965 8.150 0.098 0.000 0.490 248 S N 0.923 116.588 115.700 -0.058 0.000 2.645 248 S HA 0.311 nan 4.470 nan 0.000 0.266 248 S C -0.561 173.971 174.600 -0.113 0.000 1.258 248 S CA -0.615 57.532 58.200 -0.090 0.000 0.990 248 S CB 1.262 64.376 63.200 -0.144 0.000 0.967 248 S HN -0.067 8.203 8.310 -0.066 0.000 0.556 249 R N 0.950 121.391 120.500 -0.098 0.000 2.388 249 R HA 0.553 nan 4.340 nan 0.000 0.314 249 R C -2.419 173.883 176.300 0.003 0.000 0.959 249 R CA -3.000 52.989 56.100 -0.185 0.000 0.851 249 R CB 1.968 32.153 30.300 -0.193 0.000 1.168 249 R HN 0.154 8.391 8.270 -0.055 0.000 0.472 250 P HA -0.040 nan 4.420 nan 0.000 0.277 250 P C -1.640 175.985 177.300 0.542 0.000 1.276 250 P CA -0.692 62.676 63.100 0.446 0.000 0.788 250 P CB 0.432 32.522 31.700 0.648 0.000 1.114 251 E N -1.999 118.415 120.200 0.356 0.000 2.404 251 E HA -0.257 nan 4.350 nan 0.000 0.261 251 E C 0.536 177.304 176.600 0.279 0.000 1.074 251 E CA -0.334 56.233 56.400 0.278 0.000 0.917 251 E CB -0.281 29.506 29.700 0.146 0.000 0.965 251 E HN -0.095 8.427 8.360 0.270 0.000 0.433 252 G N 2.356 111.315 108.800 0.264 0.000 2.368 252 G HA2 -0.447 nan 3.960 nan 0.000 0.290 252 G HA3 -0.447 nan 3.960 nan 0.000 0.290 252 G C -1.806 173.109 174.900 0.025 0.000 1.098 252 G CA 0.170 45.334 45.100 0.106 0.000 1.073 252 G HN 0.102 8.563 8.290 0.286 0.000 0.511 253 Y N -0.265 120.062 120.300 0.045 0.000 2.331 253 Y HA 0.097 nan 4.550 nan 0.000 0.338 253 Y C -0.787 175.107 175.900 -0.010 0.000 0.976 253 Y CA -1.523 56.594 58.100 0.029 0.000 1.137 253 Y CB 1.551 40.023 38.460 0.020 0.000 1.172 253 Y HN -0.796 7.866 8.280 0.529 -0.065 0.478 254 S N 2.093 117.892 115.700 0.165 0.000 2.600 254 S HA -0.039 nan 4.470 nan 0.000 0.265 254 S C -0.937 173.570 174.600 -0.155 0.000 1.325 254 S CA -0.630 57.606 58.200 0.061 0.000 1.002 254 S CB 0.910 64.136 63.200 0.044 0.000 0.921 254 S HN 0.319 8.678 8.310 0.083 0.000 0.554 255 I N 2.567 123.081 120.570 -0.093 0.000 2.395 255 I HA 0.057 nan 4.170 nan 0.000 0.289 255 I C -1.171 174.843 176.117 -0.170 0.000 1.023 255 I CA -0.723 60.509 61.300 -0.114 0.000 1.350 255 I CB 1.171 39.248 38.000 0.128 0.000 1.409 255 I HN 0.216 8.432 8.210 0.011 0.000 0.507 256 H N 6.360 125.509 119.070 0.132 0.000 2.524 256 H HA 0.241 nan 4.556 nan 0.000 0.353 256 H C -1.269 174.087 175.328 0.047 0.000 1.136 256 H CA -1.505 54.598 56.048 0.092 0.000 1.193 256 H CB 2.119 31.952 29.762 0.118 0.000 1.558 256 H HN 0.092 8.303 8.280 -0.116 0.000 0.515 257 D N 2.272 122.754 120.400 0.138 0.000 2.399 257 D HA 0.152 nan 4.640 nan 0.000 0.241 257 D C -0.622 175.708 176.300 0.050 0.000 1.133 257 D CA 0.558 54.582 54.000 0.040 0.000 0.890 257 D CB 0.668 41.467 40.800 -0.002 0.000 1.201 257 D HN 0.195 8.664 8.370 0.165 0.000 0.432 258 L N 0.698 121.929 121.223 0.013 0.000 2.304 258 L HA 0.335 nan 4.340 nan 0.000 0.268 258 L C 0.137 177.009 176.870 0.003 0.000 1.010 258 L CA -1.354 53.506 54.840 0.034 0.000 0.813 258 L CB 2.427 44.532 42.059 0.075 0.000 1.315 258 L HN 0.646 8.857 8.230 -0.031 0.000 0.445 259 S N 0.466 116.179 115.700 0.022 0.000 2.368 259 S HA -0.257 nan 4.470 nan 0.000 0.225 259 S C 0.942 175.546 174.600 0.006 0.000 1.030 259 S CA 3.339 61.545 58.200 0.009 0.000 0.999 259 S CB 0.171 63.382 63.200 0.019 0.000 0.844 259 S HN 1.047 9.381 8.310 0.040 0.000 0.459 260 D N -1.680 118.753 120.400 0.054 0.000 2.117 260 D HA -0.047 nan 4.640 nan 0.000 0.198 260 D C -0.943 175.253 176.300 -0.172 0.000 0.982 260 D CA 1.771 55.821 54.000 0.082 0.000 0.828 260 D CB 0.540 41.592 40.800 0.419 0.000 0.967 260 D HN 0.147 8.574 8.370 0.091 -0.002 0.464 261 V N -3.251 116.492 119.914 -0.286 0.000 2.851 261 V HA 0.218 nan 4.120 nan 0.000 0.307 261 V C -2.335 173.582 176.094 -0.295 0.000 1.129 261 V CA -2.055 59.961 62.300 -0.472 0.000 0.932 261 V CB 3.519 34.737 31.823 -1.008 0.000 1.024 261 V HN -0.542 7.461 8.190 -0.149 0.097 0.426 262 D N 3.718 123.939 120.400 -0.297 0.000 2.308 262 D HA 0.177 nan 4.640 nan 0.000 0.251 262 D C 1.090 177.203 176.300 -0.312 0.000 1.127 262 D CA 0.083 53.934 54.000 -0.248 0.000 0.876 262 D CB 1.299 41.974 40.800 -0.207 0.000 1.176 262 D HN -0.163 8.014 8.370 -0.321 0.000 0.446 263 V N 2.796 122.580 119.914 -0.216 0.000 2.688 263 V HA -0.428 nan 4.120 nan 0.000 0.256 263 V C 1.626 177.491 176.094 -0.382 0.000 1.084 263 V CA 3.746 65.908 62.300 -0.229 0.000 1.103 263 V CB -1.194 30.583 31.823 -0.078 0.000 0.688 263 V HN 0.648 9.074 8.190 -0.141 -0.320 0.480 264 Q N -0.531 119.065 119.800 -0.339 0.000 2.079 264 Q HA -0.391 nan 4.340 nan 0.000 0.200 264 Q C 1.544 177.238 176.000 -0.511 0.000 0.974 264 Q CA 3.653 59.233 55.803 -0.371 0.000 0.840 264 Q CB -0.406 28.177 28.738 -0.259 0.000 0.898 264 Q HN 0.069 8.152 8.270 -0.265 0.028 0.430 265 D N 0.727 120.763 120.400 -0.607 0.000 2.149 265 D HA -0.342 nan 4.640 nan 0.000 0.194 265 D C 2.516 177.849 176.300 -1.612 0.000 1.001 265 D CA 3.211 56.622 54.000 -0.981 0.000 0.849 265 D CB -0.522 39.715 40.800 -0.939 0.000 0.939 265 D HN -0.523 7.799 8.370 -0.487 -0.245 0.449 266 M N -1.177 117.730 119.600 -1.156 0.000 2.065 266 M HA -0.353 nan 4.480 nan 0.000 0.259 266 M C 2.275 178.278 176.300 -0.495 0.000 1.069 266 M CA 3.297 58.208 55.300 -0.649 0.000 1.110 266 M CB -0.596 31.821 32.600 -0.306 0.000 1.328 266 M HN -0.501 7.261 8.290 -0.881 -0.000 0.405 267 V N -1.002 118.528 119.914 -0.640 0.000 2.392 267 V HA -0.518 nan 4.120 nan 0.000 0.249 267 V C 2.345 178.268 176.094 -0.285 0.000 1.059 267 V CA 4.093 66.080 62.300 -0.521 0.000 1.051 267 V CB -1.374 30.151 31.823 -0.497 0.000 0.658 267 V HN -0.102 7.595 8.190 -0.673 0.089 0.455 268 R N -1.021 119.265 120.500 -0.358 0.000 2.080 268 R HA -0.390 nan 4.340 nan 0.000 0.236 268 R C 2.108 178.353 176.300 -0.091 0.000 1.137 268 R CA 3.586 59.533 56.100 -0.254 0.000 0.943 268 R CB -0.382 29.698 30.300 -0.367 0.000 0.846 268 R HN -0.014 7.950 8.270 -0.494 0.010 0.431 269 W N -1.951 119.287 121.300 -0.104 0.000 2.318 269 W HA -0.292 nan 4.660 nan 0.000 0.313 269 W C 2.257 178.785 176.519 0.015 0.000 1.221 269 W CA 1.581 58.893 57.345 -0.054 0.000 1.266 269 W CB -1.093 28.375 29.460 0.014 0.000 1.150 269 W HN -0.402 7.504 8.180 -0.457 0.000 0.496 270 R N -1.785 118.876 120.500 0.267 0.000 2.105 270 R HA -0.445 nan 4.340 nan 0.000 0.239 270 R C 2.092 178.461 176.300 0.116 0.000 1.135 270 R CA 3.639 59.871 56.100 0.219 0.000 0.967 270 R CB -0.381 30.095 30.300 0.293 0.000 0.861 270 R HN -0.339 8.071 8.270 0.233 0.000 0.442 271 E N -1.167 119.076 120.200 0.072 0.000 2.047 271 E HA -0.250 nan 4.350 nan 0.000 0.191 271 E C 2.635 179.276 176.600 0.068 0.000 0.987 271 E CA 2.481 58.909 56.400 0.046 0.000 0.799 271 E CB -0.593 29.115 29.700 0.014 0.000 0.752 271 E HN -0.443 7.819 8.360 0.049 0.127 0.449 272 R N -0.426 120.128 120.500 0.090 0.000 2.097 272 R HA -0.334 nan 4.340 nan 0.000 0.236 272 R C 2.641 179.085 176.300 0.240 0.000 1.135 272 R CA 3.416 59.607 56.100 0.151 0.000 0.934 272 R CB -0.114 30.189 30.300 0.005 0.000 0.846 272 R HN -0.003 8.307 8.270 0.067 0.000 0.431 273 I N -0.877 119.815 120.570 0.202 0.000 2.163 273 I HA -0.474 nan 4.170 nan 0.000 0.243 273 I C 2.154 178.257 176.117 -0.023 0.000 1.085 273 I CA 3.896 65.233 61.300 0.061 0.000 1.347 273 I CB -0.114 37.877 38.000 -0.016 0.000 1.044 273 I HN 0.082 8.407 8.210 0.192 0.000 0.408 274 L N -2.568 118.646 121.223 -0.015 0.000 2.291 274 L HA -0.383 nan 4.340 nan 0.000 0.214 274 L C 2.011 178.857 176.870 -0.040 0.000 1.120 274 L CA 2.529 57.339 54.840 -0.051 0.000 0.799 274 L CB -0.795 41.236 42.059 -0.047 0.000 0.925 274 L HN -0.499 7.743 8.230 0.021 0.000 0.446 275 D N 0.216 120.617 120.400 0.002 0.000 2.078 275 D HA -0.287 nan 4.640 nan 0.000 0.193 275 D C 1.804 178.052 176.300 -0.086 0.000 0.990 275 D CA 3.275 57.268 54.000 -0.011 0.000 0.827 275 D CB -0.104 40.726 40.800 0.051 0.000 0.975 275 D HN -0.157 8.093 8.370 0.043 0.146 0.451 276 A N -0.955 121.829 122.820 -0.061 0.000 1.978 276 A HA -0.248 nan 4.320 nan 0.000 0.220 276 A C 2.391 179.840 177.584 -0.225 0.000 1.170 276 A CA 2.940 54.877 52.037 -0.168 0.000 0.636 276 A CB -0.646 18.357 19.000 0.006 0.000 0.810 276 A HN -0.383 7.792 8.150 0.041 0.000 0.448 277 I N -3.156 117.313 120.570 -0.168 0.000 2.179 277 I HA -0.531 nan 4.170 nan 0.000 0.242 277 I C 1.357 177.239 176.117 -0.392 0.000 1.088 277 I CA 3.399 64.585 61.300 -0.190 0.000 1.357 277 I CB -0.341 37.598 38.000 -0.101 0.000 1.051 277 I HN -0.404 7.713 8.210 -0.120 0.022 0.409 278 N N -0.680 117.868 118.700 -0.254 0.000 2.109 278 N HA -0.181 nan 4.740 nan 0.000 0.188 278 N C 1.884 177.310 175.510 -0.139 0.000 1.034 278 N CA 2.799 55.737 53.050 -0.188 0.000 0.846 278 N CB 0.063 38.500 38.487 -0.084 0.000 1.010 278 N HN -0.611 7.569 8.380 -0.179 0.093 0.425 279 M N -2.127 117.364 119.600 -0.181 0.000 2.629 279 M HA -0.307 nan 4.480 nan 0.000 0.257 279 M C -0.244 176.001 176.300 -0.093 0.000 1.071 279 M CA 2.687 57.875 55.300 -0.186 0.000 1.077 279 M CB -0.314 31.974 32.600 -0.521 0.000 1.423 279 M HN 0.233 8.399 8.290 -0.207 0.000 0.508 280 H N -7.156 111.830 119.070 -0.140 0.000 3.047 280 H HA -0.408 nan 4.556 nan 0.000 0.263 280 H C -1.563 173.819 175.328 0.090 0.000 1.168 280 H CA 1.730 57.764 56.048 -0.023 0.000 1.152 280 H CB -2.460 27.296 29.762 -0.011 0.000 1.278 280 H HN -0.253 7.604 8.280 -0.378 0.197 0.339 281 Y N -7.747 112.611 120.300 0.096 0.000 2.597 281 Y HA 0.830 nan 4.550 nan 0.000 0.340 281 Y C -2.816 173.146 175.900 0.104 0.000 1.097 281 Y CA -2.534 55.624 58.100 0.098 0.000 1.037 281 Y CB 2.941 41.454 38.460 0.088 0.000 1.305 281 Y HN -0.557 7.407 8.280 -0.459 0.041 0.463 282 I N -4.477 116.302 120.570 0.348 0.000 2.846 282 I HA 0.736 nan 4.170 nan 0.000 0.307 282 I C -1.517 174.860 176.117 0.435 0.000 1.053 282 I CA -2.466 59.038 61.300 0.339 0.000 1.050 282 I CB 4.165 42.258 38.000 0.154 0.000 1.239 282 I HN 0.487 8.905 8.210 0.347 0.000 0.439 283 V N -2.467 117.724 119.914 0.463 0.000 2.427 283 V HA 0.486 nan 4.120 nan 0.000 0.286 283 V C -0.720 175.516 176.094 0.236 0.000 1.034 283 V CA -2.203 60.250 62.300 0.255 0.000 0.893 283 V CB 0.025 31.889 31.823 0.068 0.000 0.982 283 V HN 0.438 9.039 8.190 0.685 0.000 0.452 284 D N 5.252 125.738 120.400 0.143 0.000 2.433 284 D HA 0.276 nan 4.640 nan 0.000 0.255 284 D C 1.939 178.285 176.300 0.076 0.000 1.226 284 D CA -1.033 53.041 54.000 0.124 0.000 1.015 284 D CB 1.578 42.427 40.800 0.082 0.000 1.091 284 D HN 0.526 8.853 8.370 0.105 0.107 0.527 285 K N 0.596 121.039 120.400 0.072 0.000 2.097 285 K HA -0.288 nan 4.320 nan 0.000 0.206 285 K C 0.857 177.469 176.600 0.020 0.000 1.049 285 K CA 2.889 59.203 56.287 0.046 0.000 0.933 285 K CB -0.536 31.994 32.500 0.049 0.000 0.717 285 K HN 0.274 8.575 8.250 0.086 0.000 0.442 286 D N -5.426 114.987 120.400 0.021 0.000 2.350 286 D HA -0.146 nan 4.640 nan 0.000 0.216 286 D C -0.180 176.117 176.300 -0.005 0.000 0.968 286 D CA 0.115 54.120 54.000 0.008 0.000 0.894 286 D CB -1.084 39.722 40.800 0.009 0.000 0.909 286 D HN -0.326 8.039 8.370 0.032 0.024 0.520 287 N N -3.102 115.593 118.700 -0.008 0.000 2.901 287 N HA -0.460 nan 4.740 nan 0.000 0.248 287 N C -1.356 174.137 175.510 -0.027 0.000 1.044 287 N CA 1.217 54.249 53.050 -0.030 0.000 0.847 287 N CB -1.485 36.977 38.487 -0.042 0.000 1.127 287 N HN 0.089 8.248 8.380 0.006 0.224 0.562 288 N N -0.878 117.816 118.700 -0.009 0.000 2.476 288 N HA 0.133 nan 4.740 nan 0.000 0.275 288 N C -1.307 174.201 175.510 -0.004 0.000 1.190 288 N CA 0.130 53.169 53.050 -0.018 0.000 0.977 288 N CB 1.720 40.202 38.487 -0.008 0.000 1.200 288 N HN 0.024 8.725 8.380 0.008 -0.316 0.515 289 K N 0.413 120.789 120.400 -0.041 0.000 2.182 289 K HA 0.663 nan 4.320 nan 0.000 0.262 289 K C -1.010 175.613 176.600 0.039 0.000 0.957 289 K CA -0.872 55.407 56.287 -0.012 0.000 0.842 289 K CB 1.339 33.684 32.500 -0.257 0.000 1.099 289 K HN 0.022 8.233 8.250 -0.064 0.000 0.438 290 I N -0.763 119.880 120.570 0.121 0.000 2.474 290 I HA 0.621 nan 4.170 nan 0.000 0.294 290 I C -2.374 173.837 176.117 0.157 0.000 1.005 290 I CA -3.529 57.829 61.300 0.097 0.000 1.113 290 I CB 2.186 40.229 38.000 0.073 0.000 1.289 290 I HN 0.570 8.893 8.210 0.188 0.000 0.436 291 P HA 0.212 nan 4.420 nan 0.000 0.275 291 P C -0.974 176.447 177.300 0.201 0.000 1.228 291 P CA -0.573 62.639 63.100 0.186 0.000 0.786 291 P CB 0.316 32.104 31.700 0.147 0.000 0.927 292 L N 3.403 124.782 121.223 0.259 0.000 2.387 292 L HA -0.043 nan 4.340 nan 0.000 0.267 292 L C -0.545 176.574 176.870 0.417 0.000 1.197 292 L CA -0.703 54.340 54.840 0.338 0.000 1.070 292 L CB -1.194 41.135 42.059 0.451 0.000 1.349 292 L HN 0.330 8.622 8.230 0.271 0.100 0.422 293 D N 4.349 124.968 120.400 0.366 0.000 2.357 293 D HA 0.000 nan 4.640 nan 0.000 0.242 293 D C 1.065 177.664 176.300 0.500 0.000 1.153 293 D CA -0.596 53.633 54.000 0.381 0.000 0.918 293 D CB 2.216 43.253 40.800 0.395 0.000 1.181 293 D HN -0.401 8.117 8.370 0.301 0.033 0.435 294 I N 2.634 123.498 120.570 0.489 0.000 2.226 294 I HA -0.430 nan 4.170 nan 0.000 0.245 294 I C 1.467 177.674 176.117 0.150 0.000 1.100 294 I CA 3.509 65.103 61.300 0.490 0.000 1.374 294 I CB 0.034 38.260 38.000 0.376 0.000 1.057 294 I HN 0.147 8.592 8.210 0.391 0.000 0.413 295 E N -1.321 118.951 120.200 0.121 0.000 2.028 295 E HA -0.209 nan 4.350 nan 0.000 0.191 295 E C 1.588 178.106 176.600 -0.137 0.000 0.988 295 E CA 2.584 58.940 56.400 -0.073 0.000 0.799 295 E CB -0.148 29.415 29.700 -0.227 0.000 0.755 295 E HN 0.310 8.934 8.360 0.195 -0.146 0.447 296 H N -2.100 117.027 119.070 0.096 0.000 2.470 296 H HA -0.013 nan 4.556 nan 0.000 0.289 296 H C 1.855 177.230 175.328 0.078 0.000 1.033 296 H CA 1.590 57.686 56.048 0.081 0.000 1.331 296 H CB -0.283 29.531 29.762 0.087 0.000 1.414 296 H HN -0.053 8.361 8.280 0.223 0.000 0.545 297 G N -1.006 107.950 108.800 0.260 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 0.723 175.572 174.900 -0.084 0.000 1.164 297 G CA 2.706 47.933 45.100 0.211 0.000 0.768 297 G HN 0.329 8.668 8.290 0.302 0.132 0.560 298 T N 3.313 117.831 114.554 -0.060 0.000 2.746 298 T HA -0.328 nan 4.350 nan 0.000 0.267 298 T C 1.752 176.440 174.700 -0.020 0.000 1.039 298 T CA 4.955 66.986 62.100 -0.115 0.000 1.142 298 T CB -0.538 68.264 68.868 -0.110 0.000 0.866 298 T HN -0.052 8.191 8.240 0.004 0.000 0.444 299 D N 1.925 122.336 120.400 0.019 0.000 2.097 299 D HA -0.183 nan 4.640 nan 0.000 0.195 299 D C 1.624 177.955 176.300 0.053 0.000 0.989 299 D CA 2.934 56.968 54.000 0.056 0.000 0.827 299 D CB -0.327 40.513 40.800 0.067 0.000 0.966 299 D HN -0.447 7.915 8.370 0.022 0.021 0.456 300 I N -2.718 117.873 120.570 0.035 0.000 2.226 300 I HA -0.380 nan 4.170 nan 0.000 0.245 300 I C 1.671 177.755 176.117 -0.055 0.000 1.100 300 I CA 3.363 64.666 61.300 0.006 0.000 1.374 300 I CB -0.287 37.721 38.000 0.012 0.000 1.057 300 I HN -0.509 7.732 8.210 0.051 0.000 0.413 301 L N 0.422 121.585 121.223 -0.100 0.000 2.093 301 L HA -0.212 nan 4.340 nan 0.000 0.208 301 L C 1.869 178.747 176.870 0.013 0.000 1.085 301 L CA 2.737 57.488 54.840 -0.148 0.000 0.755 301 L CB -0.655 41.245 42.059 -0.265 0.000 0.904 301 L HN -0.104 7.971 8.230 -0.111 0.088 0.435 302 G N -2.412 106.494 108.800 0.176 0.000 2.418 302 G HA2 -0.493 nan 3.960 nan 0.000 0.217 302 G HA3 -0.493 nan 3.960 nan 0.000 0.217 302 G C 0.617 175.552 174.900 0.057 0.000 1.158 302 G CA 2.611 47.889 45.100 0.296 0.000 0.771 302 G HN 0.290 8.534 8.290 0.122 0.119 0.545 303 D N 1.230 121.639 120.400 0.015 0.000 2.144 303 D HA -0.305 nan 4.640 nan 0.000 0.200 303 D C 2.371 178.631 176.300 -0.068 0.000 0.978 303 D CA 2.833 56.817 54.000 -0.028 0.000 0.833 303 D CB -0.478 40.327 40.800 0.009 0.000 0.961 303 D HN -0.274 8.119 8.370 0.038 0.000 0.470 304 I N -0.005 120.511 120.570 -0.091 0.000 2.286 304 I HA -0.359 nan 4.170 nan 0.000 0.245 304 I C 1.733 177.778 176.117 -0.120 0.000 1.104 304 I CA 3.655 64.872 61.300 -0.139 0.000 1.397 304 I CB 0.054 37.873 38.000 -0.301 0.000 1.072 304 I HN -0.715 7.442 8.210 -0.088 0.000 0.417 305 I N -0.924 119.587 120.570 -0.098 0.000 2.252 305 I HA -0.416 nan 4.170 nan 0.000 0.245 305 I C 1.084 177.204 176.117 0.004 0.000 1.102 305 I CA 1.708 62.990 61.300 -0.031 0.000 1.385 305 I CB -0.310 37.687 38.000 -0.006 0.000 1.064 305 I HN 0.008 8.165 8.210 -0.088 0.000 0.414 306 E N -0.486 119.603 120.200 -0.184 0.000 2.023 306 E HA -0.390 nan 4.350 nan 0.000 0.196 306 E C -0.978 175.594 176.600 -0.047 0.000 1.003 306 E CA 3.881 60.063 56.400 -0.363 0.000 0.809 306 E CB 0.093 29.356 29.700 -0.729 0.000 0.755 306 E HN -0.441 7.794 8.360 -0.208 0.000 0.449 307 S N -3.895 111.760 115.700 -0.074 0.000 2.638 307 S HA 0.440 nan 4.470 nan 0.000 0.298 307 S C -0.614 173.933 174.600 -0.088 0.000 1.111 307 S CA -2.032 56.102 58.200 -0.110 0.000 1.027 307 S CB 2.396 65.542 63.200 -0.090 0.000 1.064 307 S HN -0.729 7.542 8.310 -0.066 0.000 0.525 308 S N 0.439 116.100 115.700 -0.066 0.000 2.738 308 S HA 0.441 nan 4.470 nan 0.000 0.284 308 S C 1.170 175.776 174.600 0.009 0.000 1.146 308 S CA -0.979 57.214 58.200 -0.011 0.000 0.997 308 S CB 2.205 65.419 63.200 0.024 0.000 1.081 308 S HN 0.625 8.773 8.310 -0.073 0.118 0.553 309 D N 1.612 122.034 120.400 0.037 0.000 2.219 309 D HA -0.141 nan 4.640 nan 0.000 0.205 309 D C 0.466 176.791 176.300 0.041 0.000 0.970 309 D CA 2.521 56.541 54.000 0.033 0.000 0.851 309 D CB -0.349 40.470 40.800 0.032 0.000 0.943 309 D HN 0.306 8.709 8.370 0.054 0.000 0.488 310 E N -2.681 117.553 120.200 0.057 0.000 2.338 310 E HA -0.116 nan 4.350 nan 0.000 0.197 310 E C -0.089 176.539 176.600 0.047 0.000 1.007 310 E CA 0.647 57.085 56.400 0.063 0.000 0.849 310 E CB 0.151 29.900 29.700 0.082 0.000 0.774 310 E HN -0.641 7.704 8.360 0.064 0.053 0.506 311 S N -1.329 114.389 115.700 0.031 0.000 2.593 311 S HA -0.248 nan 4.470 nan 0.000 0.300 311 S C 0.667 175.307 174.600 0.066 0.000 1.267 311 S CA 0.133 58.351 58.200 0.030 0.000 1.065 311 S CB 0.518 63.731 63.200 0.022 0.000 0.807 311 S HN -0.728 7.428 8.310 0.023 0.168 0.499 312 K N 3.932 124.379 120.400 0.079 0.000 2.148 312 K HA -0.239 nan 4.320 nan 0.000 0.204 312 K C -0.216 176.489 176.600 0.175 0.000 1.050 312 K CA 2.098 58.454 56.287 0.115 0.000 0.942 312 K CB 0.447 33.014 32.500 0.112 0.000 0.724 312 K HN -0.078 8.336 8.250 0.042 -0.139 0.446 313 N N -3.056 115.809 118.700 0.276 0.000 2.558 313 N HA 0.179 nan 4.740 nan 0.000 0.285 313 N C 0.418 176.095 175.510 0.278 0.000 1.112 313 N CA -0.771 52.459 53.050 0.300 0.000 0.857 313 N CB 1.712 40.428 38.487 0.383 0.000 1.376 313 N HN -0.754 7.794 8.380 0.290 0.006 0.526 314 V N 0.834 120.833 119.914 0.140 0.000 2.346 314 V HA -0.116 nan 4.120 nan 0.000 0.244 314 V C 1.260 177.383 176.094 0.049 0.000 1.037 314 V CA 2.669 65.009 62.300 0.066 0.000 1.029 314 V CB -0.541 31.302 31.823 0.034 0.000 0.663 314 V HN 0.532 8.794 8.190 0.120 0.000 0.454 315 E N 2.020 122.273 120.200 0.088 0.000 2.038 315 E HA -0.480 nan 4.350 nan 0.000 0.195 315 E C 1.873 178.553 176.600 0.134 0.000 1.000 315 E CA 2.688 59.151 56.400 0.104 0.000 0.803 315 E CB -0.751 29.012 29.700 0.105 0.000 0.750 315 E HN -0.151 8.268 8.360 0.098 0.000 0.448 316 Y N 0.076 120.371 120.300 -0.008 0.000 2.114 316 Y HA -0.381 nan 4.550 nan 0.000 0.284 316 Y C 1.673 177.544 175.900 -0.049 0.000 1.119 316 Y CA 3.078 61.130 58.100 -0.080 0.000 1.108 316 Y CB 0.759 39.058 38.460 -0.268 0.000 0.995 316 Y HN -0.120 8.644 8.280 0.204 -0.362 0.491 317 Y N -4.061 116.118 120.300 -0.200 0.000 2.395 317 Y HA -0.272 nan 4.550 nan 0.000 0.293 317 Y C 0.442 175.979 175.900 -0.604 0.000 1.123 317 Y CA 2.417 60.319 58.100 -0.329 0.000 1.227 317 Y CB 0.464 38.839 38.460 -0.143 0.000 1.012 317 Y HN -0.836 7.463 8.280 0.031 0.000 0.552 318 G N -2.067 106.415 108.800 -0.531 0.000 2.568 318 G HA2 -0.297 nan 3.960 nan 0.000 0.222 318 G HA3 -0.297 nan 3.960 nan 0.000 0.222 318 G C -2.761 171.711 174.900 -0.713 0.000 1.321 318 G CA -0.417 43.988 45.100 -1.159 0.000 0.893 318 G HN -0.232 7.822 8.290 -0.215 0.108 0.569 319 S N -1.291 113.972 115.700 -0.728 0.000 2.389 319 S HA 0.322 nan 4.470 nan 0.000 0.201 319 S C -0.423 174.212 174.600 0.058 0.000 1.422 319 S CA -1.298 56.767 58.200 -0.225 0.000 1.216 319 S CB 1.059 64.133 63.200 -0.209 0.000 1.130 319 S HN -0.031 7.517 8.310 -1.270 0.000 0.465 320 L N 5.972 127.300 121.223 0.174 0.000 1.994 320 L HA -0.272 nan 4.340 nan 0.000 0.208 320 L C 0.535 177.752 176.870 0.578 0.000 1.071 320 L CA 2.833 57.983 54.840 0.517 0.000 0.745 320 L CB 0.006 42.393 42.059 0.546 0.000 0.892 320 L HN 0.343 8.609 8.230 0.060 0.000 0.431 321 H N -0.364 118.959 119.070 0.421 0.000 2.293 321 H HA -0.404 nan 4.556 nan 0.000 0.300 321 H C 2.216 177.681 175.328 0.229 0.000 1.082 321 H CA 4.399 60.756 56.048 0.515 0.000 1.308 321 H CB 0.076 30.090 29.762 0.420 0.000 1.375 321 H HN -0.242 8.316 8.280 0.463 0.000 0.495 322 N N -0.855 117.987 118.700 0.237 0.000 2.120 322 N HA -0.335 nan 4.740 nan 0.000 0.188 322 N C 2.318 177.728 175.510 -0.167 0.000 1.024 322 N CA 3.009 56.102 53.050 0.071 0.000 0.852 322 N CB -0.528 37.983 38.487 0.040 0.000 1.003 322 N HN -0.236 8.329 8.380 0.308 0.000 0.424 323 W N -0.782 120.513 121.300 -0.009 0.000 2.374 323 W HA -0.206 nan 4.660 nan 0.000 0.288 323 W C 1.842 178.218 176.519 -0.238 0.000 1.218 323 W CA 2.864 60.193 57.345 -0.027 0.000 1.245 323 W CB -0.206 29.340 29.460 0.143 0.000 1.126 323 W HN -0.205 8.028 8.180 0.089 0.000 0.545 324 G N -2.013 106.579 108.800 -0.347 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 0.996 175.310 174.900 -0.978 0.000 1.158 324 G CA 2.235 46.672 45.100 -1.105 0.000 0.771 324 G HN 0.194 8.284 8.290 -0.189 0.086 0.545 325 H N 2.288 120.797 119.070 -0.935 0.000 2.353 325 H HA -0.213 nan 4.556 nan 0.000 0.300 325 H C 2.552 177.669 175.328 -0.352 0.000 1.090 325 H CA 3.968 59.560 56.048 -0.760 0.000 1.327 325 H CB 0.123 29.152 29.762 -1.221 0.000 1.383 325 H HN -0.626 7.102 8.280 -0.720 0.120 0.508 326 V N 0.139 120.020 119.914 -0.055 0.000 2.295 326 V HA -0.457 nan 4.120 nan 0.000 0.246 326 V C 2.117 178.250 176.094 0.066 0.000 1.049 326 V CA 4.687 67.046 62.300 0.097 0.000 1.024 326 V CB -0.750 31.238 31.823 0.274 0.000 0.648 326 V HN -0.325 7.698 8.190 -0.092 0.112 0.447 327 M N -2.354 117.261 119.600 0.025 0.000 2.117 327 M HA -0.335 nan 4.480 nan 0.000 0.262 327 M C 1.789 178.027 176.300 -0.103 0.000 1.065 327 M CA 3.548 58.845 55.300 -0.005 0.000 1.114 327 M CB 0.006 32.593 32.600 -0.021 0.000 1.361 327 M HN 0.051 8.242 8.290 0.011 0.106 0.408 328 M N -2.135 117.322 119.600 -0.238 0.000 2.175 328 M HA -0.166 nan 4.480 nan 0.000 0.264 328 M C 2.662 178.856 176.300 -0.176 0.000 1.063 328 M CA 2.630 57.765 55.300 -0.274 0.000 1.119 328 M CB 0.481 32.829 32.600 -0.419 0.000 1.377 328 M HN -0.392 7.705 8.290 -0.323 0.000 0.415 329 A N -1.204 121.549 122.820 -0.111 0.000 1.933 329 A HA -0.240 nan 4.320 nan 0.000 0.218 329 A C 0.671 178.241 177.584 -0.023 0.000 1.175 329 A CA 2.876 54.892 52.037 -0.034 0.000 0.628 329 A CB -0.290 18.731 19.000 0.034 0.000 0.814 329 A HN 0.237 8.224 8.150 -0.120 0.090 0.444 330 N N -4.204 114.491 118.700 -0.009 0.000 2.538 330 N HA 0.064 nan 4.740 nan 0.000 0.291 330 N C 0.131 175.632 175.510 -0.016 0.000 1.323 330 N CA -1.734 51.324 53.050 0.013 0.000 0.934 330 N CB -0.830 37.701 38.487 0.074 0.000 1.255 330 N HN -0.451 7.928 8.380 -0.002 0.000 0.509 331 I N 0.928 121.433 120.570 -0.108 0.000 2.286 331 I HA -0.326 nan 4.170 nan 0.000 0.248 331 I C 0.466 176.448 176.117 -0.225 0.000 1.115 331 I CA 2.534 63.739 61.300 -0.158 0.000 1.392 331 I CB 0.131 37.937 38.000 -0.324 0.000 1.065 331 I HN -0.735 7.310 8.210 -0.131 0.087 0.418 332 T N -1.166 113.197 114.554 -0.318 0.000 2.788 332 T HA -0.246 nan 4.350 nan 0.000 0.268 332 T C -0.379 174.351 174.700 0.050 0.000 1.044 332 T CA 2.659 64.578 62.100 -0.302 0.000 1.139 332 T CB -0.173 68.553 68.868 -0.236 0.000 0.867 332 T HN 0.144 8.201 8.240 -0.248 0.034 0.454 333 D N -1.287 119.165 120.400 0.087 0.000 2.621 333 D HA 0.471 nan 4.640 nan 0.000 0.274 333 D C -0.896 175.450 176.300 0.076 0.000 1.215 333 D CA -2.994 51.089 54.000 0.139 0.000 0.810 333 D CB 0.508 41.410 40.800 0.170 0.000 1.248 333 D HN -0.853 7.446 8.370 0.036 0.092 0.517 334 P HA -0.253 nan 4.420 nan 0.000 0.216 334 P C 0.613 177.945 177.300 0.053 0.000 1.150 334 P CA 2.029 65.182 63.100 0.089 0.000 0.837 334 P CB 0.501 32.283 31.700 0.137 0.000 0.786 335 D N -4.326 116.066 120.400 -0.014 0.000 2.234 335 D HA -0.220 nan 4.640 nan 0.000 0.205 335 D C -0.190 176.128 176.300 0.030 0.000 0.962 335 D CA 0.746 54.724 54.000 -0.036 0.000 0.855 335 D CB 0.564 41.279 40.800 -0.141 0.000 0.951 335 D HN -0.407 8.003 8.370 -0.060 -0.077 0.500 336 H N -4.635 114.376 119.070 -0.100 0.000 3.151 336 H HA -0.202 nan 4.556 nan 0.000 0.230 336 H C -0.523 174.732 175.328 -0.121 0.000 1.186 336 H CA 0.707 56.712 56.048 -0.070 0.000 1.124 336 H CB -1.296 28.449 29.762 -0.028 0.000 1.208 336 H HN -0.530 7.791 8.280 -0.018 -0.052 0.318 337 R N -2.253 118.066 120.500 -0.301 0.000 2.070 337 R HA -0.215 nan 4.340 nan 0.000 0.233 337 R C 0.973 177.080 176.300 -0.322 0.000 1.137 337 R CA 2.444 58.305 56.100 -0.399 0.000 0.945 337 R CB -0.095 29.851 30.300 -0.589 0.000 0.845 337 R HN -0.256 7.975 8.270 -0.345 -0.168 0.430 338 F N -0.880 119.014 119.950 -0.094 0.000 2.558 338 F HA -0.048 nan 4.527 nan 0.000 0.298 338 F C -0.079 175.632 175.800 -0.149 0.000 1.119 338 F CA 0.398 58.345 58.000 -0.088 0.000 1.451 338 F CB 0.220 39.186 39.000 -0.057 0.000 1.091 338 F HN -0.581 7.767 8.300 -0.607 -0.412 0.563 339 Q N -4.899 114.796 119.800 -0.175 0.000 2.454 339 Q HA -0.418 nan 4.340 nan 0.000 0.307 339 Q C -1.202 174.705 176.000 -0.156 0.000 1.430 339 Q CA 0.760 56.344 55.803 -0.364 0.000 0.786 339 Q CB -2.390 26.227 28.738 -0.201 0.000 1.115 339 Q HN -0.436 7.834 8.270 -0.265 -0.159 0.389 340 E N -1.542 118.607 120.200 -0.085 0.000 2.212 340 E HA 0.257 nan 4.350 nan 0.000 0.270 340 E C -1.401 175.214 176.600 0.024 0.000 0.956 340 E CA -1.792 54.609 56.400 0.002 0.000 0.825 340 E CB 2.165 31.894 29.700 0.048 0.000 1.167 340 E HN -0.544 7.751 8.360 -0.109 0.000 0.400 341 N N 1.603 120.312 118.700 0.015 0.000 2.467 341 N HA 0.237 nan 4.740 nan 0.000 0.262 341 N C -1.201 174.337 175.510 0.046 0.000 1.234 341 N CA -1.424 51.638 53.050 0.019 0.000 0.952 341 N CB -0.297 38.151 38.487 -0.064 0.000 1.158 341 N HN 0.229 8.606 8.380 -0.004 0.000 0.463 342 P HA 0.022 nan 4.420 nan 0.000 0.274 342 P C -0.789 176.624 177.300 0.188 0.000 1.256 342 P CA -0.431 62.732 63.100 0.104 0.000 0.795 342 P CB 0.880 32.639 31.700 0.098 0.000 1.038 343 G N -1.294 107.599 108.800 0.155 0.000 2.535 343 G HA2 0.200 nan 3.960 nan 0.000 0.282 343 G HA3 0.200 nan 3.960 nan 0.000 0.282 343 G C 0.600 175.611 174.900 0.185 0.000 1.350 343 G CA -1.605 43.601 45.100 0.178 0.000 1.039 343 G HN -0.274 7.958 8.290 0.083 0.107 0.509 344 V N -5.536 114.363 119.914 -0.026 0.000 2.720 344 V HA -0.326 nan 4.120 nan 0.000 0.256 344 V C 1.847 177.921 176.094 -0.035 0.000 1.082 344 V CA 2.828 64.974 62.300 -0.256 0.000 1.101 344 V CB -0.416 31.262 31.823 -0.241 0.000 0.693 344 V HN 0.556 8.754 8.190 0.014 0.000 0.479 345 M N 0.512 120.145 119.600 0.055 0.000 2.279 345 M HA -0.303 nan 4.480 nan 0.000 0.264 345 M C 1.594 178.066 176.300 0.287 0.000 1.062 345 M CA 2.249 57.640 55.300 0.152 0.000 1.099 345 M CB -0.936 31.670 32.600 0.011 0.000 1.394 345 M HN -0.259 7.995 8.290 0.033 0.056 0.426 346 S N -0.610 115.221 115.700 0.218 0.000 2.447 346 S HA -0.278 nan 4.470 nan 0.000 0.233 346 S C -0.748 174.001 174.600 0.248 0.000 1.006 346 S CA 3.462 61.805 58.200 0.238 0.000 0.957 346 S CB 0.153 63.449 63.200 0.159 0.000 0.773 346 S HN -0.556 7.809 8.310 0.162 0.042 0.507 347 D N -2.541 118.002 120.400 0.239 0.000 2.350 347 D HA 0.342 nan 4.640 nan 0.000 0.245 347 D C -0.382 176.081 176.300 0.271 0.000 1.036 347 D CA -1.129 53.005 54.000 0.225 0.000 0.848 347 D CB 2.944 43.877 40.800 0.222 0.000 1.307 347 D HN -0.650 7.698 8.370 0.198 0.140 0.469 348 T N 4.053 118.759 114.554 0.252 0.000 2.915 348 T HA -0.078 nan 4.350 nan 0.000 0.269 348 T C 2.206 177.213 174.700 0.512 0.000 1.071 348 T CA 3.691 66.014 62.100 0.371 0.000 1.132 348 T CB -0.234 68.619 68.868 -0.025 0.000 0.878 348 T HN 0.350 8.717 8.240 0.210 0.000 0.479 349 S N 1.492 117.446 115.700 0.423 0.000 2.371 349 S HA -0.178 nan 4.470 nan 0.000 0.224 349 S C 0.974 175.537 174.600 -0.062 0.000 1.029 349 S CA 3.607 61.919 58.200 0.186 0.000 0.978 349 S CB 0.022 63.213 63.200 -0.015 0.000 0.833 349 S HN -0.252 8.619 8.310 0.485 -0.270 0.466 350 T N -5.158 109.341 114.554 -0.091 0.000 3.035 350 T HA 0.228 nan 4.350 nan 0.000 0.259 350 T C 2.391 176.992 174.700 -0.164 0.000 1.078 350 T CA 1.335 63.301 62.100 -0.223 0.000 1.132 350 T CB -0.071 68.549 68.868 -0.413 0.000 0.900 350 T HN -0.142 8.095 8.240 -0.005 0.000 0.480 351 S N 4.308 119.991 115.700 -0.028 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 3.597 61.814 58.200 0.028 0.000 0.993 351 S CB -1.144 62.292 63.200 0.395 0.000 0.808 351 S HN 0.158 8.521 8.310 0.089 0.000 0.478 352 L N 1.686 122.591 121.223 -0.530 0.000 2.201 352 L HA -0.224 nan 4.340 nan 0.000 0.212 352 L C 1.688 178.304 176.870 -0.423 0.000 1.105 352 L CA 2.152 56.506 54.840 -0.810 0.000 0.775 352 L CB -0.763 40.903 42.059 -0.655 0.000 0.913 352 L HN -0.328 7.633 8.230 -0.395 0.032 0.440 353 R N -2.831 117.489 120.500 -0.299 0.000 2.092 353 R HA -0.278 nan 4.340 nan 0.000 0.231 353 R C 0.026 176.046 176.300 -0.467 0.000 1.119 353 R CA 2.172 58.119 56.100 -0.254 0.000 0.970 353 R CB -0.335 29.878 30.300 -0.146 0.000 0.864 353 R HN -0.118 7.944 8.270 -0.283 0.039 0.440 354 D N 0.719 120.832 120.400 -0.479 0.000 2.351 354 D HA 0.267 nan 4.640 nan 0.000 0.251 354 D C -0.779 175.346 176.300 -0.291 0.000 1.137 354 D CA -2.629 51.008 54.000 -0.605 0.000 0.879 354 D CB 0.795 41.431 40.800 -0.273 0.000 1.181 354 D HN -0.761 7.385 8.370 -0.324 0.029 0.448 355 P HA -0.028 nan 4.420 nan 0.000 0.223 355 P C 0.735 178.090 177.300 0.091 0.000 1.151 355 P CA 1.541 64.669 63.100 0.047 0.000 0.787 355 P CB 0.030 31.769 31.700 0.064 0.000 0.788 356 I N -5.134 115.427 120.570 -0.015 0.000 2.454 356 I HA -0.410 nan 4.170 nan 0.000 0.254 356 I C 1.008 177.092 176.117 -0.055 0.000 1.156 356 I CA 2.930 64.198 61.300 -0.052 0.000 1.433 356 I CB -0.549 37.362 38.000 -0.148 0.000 1.082 356 I HN -0.576 7.853 8.210 -0.065 -0.258 0.432 357 F N 1.999 121.787 119.950 -0.269 0.000 2.091 357 F HA -0.489 nan 4.527 nan 0.000 0.299 357 F C 1.137 176.788 175.800 -0.248 0.000 1.103 357 F CA 4.547 62.355 58.000 -0.320 0.000 1.228 357 F CB -0.042 38.568 39.000 -0.651 0.000 0.984 357 F HN -0.512 7.631 8.300 -0.016 0.146 0.477 358 Y N -3.197 117.209 120.300 0.177 0.000 2.200 358 Y HA -0.426 nan 4.550 nan 0.000 0.290 358 Y C 2.091 178.021 175.900 0.051 0.000 1.137 358 Y CA 4.028 62.155 58.100 0.044 0.000 1.163 358 Y CB -0.673 37.589 38.460 -0.330 0.000 0.988 358 Y HN -0.762 7.436 8.280 -0.107 0.018 0.518 359 R N -0.402 120.202 120.500 0.173 0.000 2.073 359 R HA -0.415 nan 4.340 nan 0.000 0.234 359 R C 2.312 178.698 176.300 0.143 0.000 1.134 359 R CA 3.514 59.713 56.100 0.165 0.000 0.952 359 R CB -0.165 30.226 30.300 0.152 0.000 0.850 359 R HN -0.623 7.655 8.270 0.155 0.085 0.433 360 W N 0.057 121.271 121.300 -0.144 0.000 2.381 360 W HA -0.327 nan 4.660 nan 0.000 0.301 360 W C 1.672 178.089 176.519 -0.170 0.000 1.205 360 W CA 3.734 60.934 57.345 -0.241 0.000 1.285 360 W CB 0.063 29.174 29.460 -0.581 0.000 1.133 360 W HN 0.080 8.308 8.180 0.079 0.000 0.521 361 H N -0.963 117.963 119.070 -0.240 0.000 2.423 361 H HA -0.282 nan 4.556 nan 0.000 0.297 361 H C 2.872 178.134 175.328 -0.109 0.000 1.075 361 H CA 5.083 60.999 56.048 -0.220 0.000 1.342 361 H CB -0.091 29.524 29.762 -0.245 0.000 1.395 361 H HN -0.114 8.166 8.280 0.001 0.000 0.530 362 R N -0.701 119.837 120.500 0.064 0.000 2.092 362 R HA -0.288 nan 4.340 nan 0.000 0.231 362 R C 2.051 178.349 176.300 -0.004 0.000 1.119 362 R CA 2.483 58.622 56.100 0.066 0.000 0.970 362 R CB -0.848 29.517 30.300 0.109 0.000 0.864 362 R HN 0.332 8.560 8.270 0.106 0.106 0.440 363 F N 1.509 121.319 119.950 -0.233 0.000 2.102 363 F HA -0.317 nan 4.527 nan 0.000 0.298 363 F C 1.675 177.264 175.800 -0.352 0.000 1.105 363 F CA 3.532 61.330 58.000 -0.336 0.000 1.239 363 F CB 0.101 38.733 39.000 -0.612 0.000 0.991 363 F HN -0.599 7.626 8.300 0.016 0.084 0.474 364 I N -4.984 115.323 120.570 -0.439 0.000 2.315 364 I HA -0.548 nan 4.170 nan 0.000 0.248 364 I C 1.495 177.659 176.117 0.077 0.000 1.117 364 I CA 3.343 64.486 61.300 -0.263 0.000 1.404 364 I CB -0.633 37.348 38.000 -0.031 0.000 1.071 364 I HN -0.111 7.784 8.210 -0.526 0.000 0.419 365 D N 0.403 120.905 120.400 0.169 0.000 2.149 365 D HA -0.326 nan 4.640 nan 0.000 0.198 365 D C 2.174 178.640 176.300 0.276 0.000 0.990 365 D CA 3.199 57.430 54.000 0.385 0.000 0.839 365 D CB -0.325 40.577 40.800 0.171 0.000 0.948 365 D HN 0.162 8.342 8.370 0.030 0.208 0.460 366 N N -0.980 117.709 118.700 -0.018 0.000 2.149 366 N HA -0.269 nan 4.740 nan 0.000 0.188 366 N C 2.413 177.835 175.510 -0.148 0.000 1.019 366 N CA 3.070 56.063 53.050 -0.095 0.000 0.857 366 N CB -0.155 38.194 38.487 -0.231 0.000 0.997 366 N HN -0.111 8.093 8.380 -0.107 0.112 0.426 367 I N -0.267 120.114 120.570 -0.316 0.000 2.226 367 I HA -0.521 nan 4.170 nan 0.000 0.245 367 I C 1.636 177.548 176.117 -0.341 0.000 1.100 367 I CA 3.709 64.763 61.300 -0.411 0.000 1.374 367 I CB -0.166 37.465 38.000 -0.615 0.000 1.057 367 I HN -0.430 7.414 8.210 -0.357 0.152 0.413 368 F N -1.705 118.205 119.950 -0.068 0.000 2.171 368 F HA -0.423 nan 4.527 nan 0.000 0.300 368 F C 2.323 178.075 175.800 -0.079 0.000 1.090 368 F CA 4.053 61.965 58.000 -0.147 0.000 1.293 368 F CB -0.775 38.028 39.000 -0.328 0.000 1.013 368 F HN -0.831 7.334 8.300 -0.096 0.077 0.486 369 Q N -1.899 118.005 119.800 0.173 0.000 2.124 369 Q HA -0.355 nan 4.340 nan 0.000 0.202 369 Q C 2.752 178.796 176.000 0.074 0.000 0.977 369 Q CA 3.022 58.903 55.803 0.129 0.000 0.850 369 Q CB -0.882 27.923 28.738 0.112 0.000 0.901 369 Q HN 0.178 8.477 8.270 0.214 0.099 0.429 370 E N -0.586 119.628 120.200 0.023 0.000 2.110 370 E HA -0.376 nan 4.350 nan 0.000 0.193 370 E C 2.372 178.992 176.600 0.032 0.000 0.988 370 E CA 2.820 59.220 56.400 0.000 0.000 0.804 370 E CB -0.228 29.443 29.700 -0.048 0.000 0.745 370 E HN -0.148 8.119 8.360 -0.011 0.086 0.458 371 H N 0.492 119.547 119.070 -0.024 0.000 2.353 371 H HA -0.255 nan 4.556 nan 0.000 0.300 371 H C 2.359 177.846 175.328 0.266 0.000 1.090 371 H CA 3.726 59.809 56.048 0.059 0.000 1.327 371 H CB 0.151 29.939 29.762 0.044 0.000 1.383 371 H HN -0.705 7.571 8.280 0.110 0.070 0.508 372 K N -1.808 118.728 120.400 0.227 0.000 2.147 372 K HA -0.295 nan 4.320 nan 0.000 0.205 372 K C 2.979 179.698 176.600 0.199 0.000 1.049 372 K CA 2.358 58.765 56.287 0.200 0.000 0.936 372 K CB -0.733 31.827 32.500 0.100 0.000 0.722 372 K HN -0.095 8.185 8.250 0.198 0.088 0.446 373 K N -0.508 119.945 120.400 0.089 0.000 2.097 373 K HA -0.236 nan 4.320 nan 0.000 0.206 373 K C 1.591 178.166 176.600 -0.042 0.000 1.049 373 K CA 2.698 58.996 56.287 0.018 0.000 0.933 373 K CB -0.311 32.185 32.500 -0.007 0.000 0.717 373 K HN 0.073 8.243 8.250 0.080 0.127 0.442 374 S N -1.918 113.727 115.700 -0.091 0.000 2.447 374 S HA -0.202 nan 4.470 nan 0.000 0.233 374 S C 0.405 174.760 174.600 -0.408 0.000 1.006 374 S CA 2.067 60.126 58.200 -0.235 0.000 0.957 374 S CB 0.651 63.696 63.200 -0.259 0.000 0.773 374 S HN -0.524 7.622 8.310 -0.059 0.129 0.507 375 F N 1.909 121.745 119.950 -0.190 0.000 2.382 375 F HA -0.001 nan 4.527 nan 0.000 0.331 375 F C 0.053 175.721 175.800 -0.221 0.000 1.121 375 F CA 1.077 58.979 58.000 -0.163 0.000 1.183 375 F CB 1.047 39.974 39.000 -0.121 0.000 1.207 375 F HN -0.701 7.543 8.300 0.203 0.178 0.555 376 H N 1.677 120.768 119.070 0.035 0.000 2.607 376 H HA 0.161 nan 4.556 nan 0.000 0.367 376 H C -1.624 173.637 175.328 -0.112 0.000 1.181 376 H CA -0.607 55.421 56.048 -0.034 0.000 1.402 376 H CB 0.293 30.035 29.762 -0.034 0.000 1.474 376 H HN 0.063 8.499 8.280 0.260 0.000 0.596 377 P HA 0.063 nan 4.420 nan 0.000 0.277 377 P C -1.438 175.794 177.300 -0.115 0.000 1.276 377 P CA -0.260 62.792 63.100 -0.080 0.000 0.788 377 P CB 0.649 32.376 31.700 0.044 0.000 1.114 378 Y N -0.752 119.649 120.300 0.168 0.000 2.320 378 Y HA 0.094 nan 4.550 nan 0.000 0.334 378 Y C 0.415 176.381 175.900 0.110 0.000 1.055 378 Y CA 0.276 58.474 58.100 0.164 0.000 1.143 378 Y CB 0.966 39.556 38.460 0.217 0.000 1.193 378 Y HN 0.225 8.607 8.280 0.171 0.000 0.477 379 T N 4.924 119.625 114.554 0.245 0.000 2.816 379 T HA 0.241 nan 4.350 nan 0.000 0.282 379 T C 0.527 175.281 174.700 0.090 0.000 0.993 379 T CA -0.735 61.439 62.100 0.124 0.000 0.994 379 T CB 1.319 70.242 68.868 0.091 0.000 1.025 379 T HN 0.243 8.649 8.240 0.276 0.000 0.529 380 K N 1.187 121.599 120.400 0.019 0.000 2.147 380 K HA -0.346 nan 4.320 nan 0.000 0.205 380 K C 2.279 178.889 176.600 0.018 0.000 1.049 380 K CA 3.148 59.423 56.287 -0.020 0.000 0.936 380 K CB 0.008 32.486 32.500 -0.037 0.000 0.722 380 K HN 0.306 8.563 8.250 0.012 0.000 0.446 381 E N -1.578 118.645 120.200 0.038 0.000 2.058 381 E HA -0.310 nan 4.350 nan 0.000 0.194 381 E C 1.127 177.769 176.600 0.071 0.000 0.997 381 E CA 2.845 59.271 56.400 0.043 0.000 0.801 381 E CB -0.627 29.099 29.700 0.043 0.000 0.746 381 E HN 0.088 8.458 8.360 0.036 0.012 0.450 382 E N -2.115 118.154 120.200 0.115 0.000 2.072 382 E HA -0.164 nan 4.350 nan 0.000 0.191 382 E C 1.739 178.421 176.600 0.137 0.000 0.985 382 E CA 2.190 58.672 56.400 0.137 0.000 0.801 382 E CB -0.158 29.701 29.700 0.264 0.000 0.750 382 E HN -0.619 7.730 8.360 0.133 0.091 0.452 383 L N -3.126 118.182 121.223 0.141 0.000 2.044 383 L HA -0.231 nan 4.340 nan 0.000 0.205 383 L C 0.820 177.765 176.870 0.124 0.000 1.075 383 L CA 2.014 56.940 54.840 0.144 0.000 0.747 383 L CB 0.363 42.423 42.059 0.002 0.000 0.903 383 L HN -0.673 7.631 8.230 0.123 0.000 0.435 384 S N -3.152 112.593 115.700 0.075 0.000 2.576 384 S HA -0.079 nan 4.470 nan 0.000 0.276 384 S C -1.064 173.627 174.600 0.152 0.000 1.339 384 S CA 1.674 59.921 58.200 0.078 0.000 1.039 384 S CB 0.743 63.953 63.200 0.017 0.000 0.902 384 S HN -0.275 7.970 8.310 0.058 0.100 0.516 385 F N 6.019 125.972 119.950 0.004 0.000 2.434 385 F HA 0.358 nan 4.527 nan 0.000 0.355 385 F C -2.714 173.085 175.800 -0.001 0.000 1.115 385 F CA -3.471 54.533 58.000 0.007 0.000 1.010 385 F CB 2.795 41.802 39.000 0.011 0.000 1.234 385 F HN -0.376 8.238 8.300 0.212 -0.186 0.439 386 P HA 0.060 nan 4.420 nan 0.000 0.275 386 P C -0.588 176.468 177.300 -0.408 0.000 1.228 386 P CA -0.047 62.849 63.100 -0.339 0.000 0.786 386 P CB 0.470 32.021 31.700 -0.247 0.000 0.927 387 G N 0.524 109.212 108.800 -0.187 0.000 2.253 387 G HA2 -0.307 nan 3.960 nan 0.000 0.251 387 G HA3 -0.307 nan 3.960 nan 0.000 0.251 387 G C -1.201 173.676 174.900 -0.037 0.000 0.998 387 G CA 0.550 45.578 45.100 -0.121 0.000 0.621 387 G HN 0.091 8.304 8.290 -0.129 0.000 0.524 388 V N 1.487 121.411 119.914 0.016 0.000 2.435 388 V HA 0.403 nan 4.120 nan 0.000 0.290 388 V C -1.422 174.721 176.094 0.080 0.000 1.030 388 V CA -0.774 61.609 62.300 0.137 0.000 0.881 388 V CB 0.676 32.727 31.823 0.380 0.000 0.983 388 V HN -0.727 7.353 8.190 -0.040 0.086 0.445 389 E N 6.956 127.184 120.200 0.046 0.000 2.272 389 E HA 0.437 nan 4.350 nan 0.000 0.269 389 E C -1.584 175.020 176.600 0.006 0.000 0.877 389 E CA -1.640 54.772 56.400 0.019 0.000 0.755 389 E CB 4.738 34.442 29.700 0.007 0.000 1.192 389 E HN 0.335 8.722 8.360 0.044 0.000 0.422 390 V N 6.760 126.667 119.914 -0.011 0.000 2.348 390 V HA 0.274 nan 4.120 nan 0.000 0.270 390 V C -0.103 175.977 176.094 -0.023 0.000 1.037 390 V CA -0.006 62.276 62.300 -0.031 0.000 0.872 390 V CB -0.599 31.186 31.823 -0.064 0.000 1.002 390 V HN 0.307 8.490 8.190 -0.012 0.000 0.464 391 V N 8.085 127.990 119.914 -0.016 0.000 2.323 391 V HA -0.014 nan 4.120 nan 0.000 0.244 391 V C 0.189 176.279 176.094 -0.007 0.000 1.041 391 V CA 1.781 64.076 62.300 -0.008 0.000 1.025 391 V CB 0.472 32.292 31.823 -0.005 0.000 0.656 391 V HN 0.669 8.849 8.190 -0.017 0.000 0.451 392 G N -4.535 104.259 108.800 -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 0.634 45.732 45.100 -0.002 0.000 0.795 392 G HN -0.820 7.459 8.290 -0.017 0.000 0.513 393 V N -0.919 119.003 119.914 0.014 0.000 2.925 393 V HA 0.704 nan 4.120 nan 0.000 0.311 393 V C -1.451 174.680 176.094 0.061 0.000 1.104 393 V CA -1.577 60.745 62.300 0.036 0.000 0.954 393 V CB 3.505 35.346 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 2.476 118.229 115.700 0.089 0.000 2.546 394 S HA 0.690 nan 4.470 nan 0.000 0.274 394 S C -1.883 172.785 174.600 0.112 0.000 1.121 394 S CA -1.083 57.165 58.200 0.080 0.000 0.887 394 S CB 3.504 66.734 63.200 0.051 0.000 1.094 394 S HN 0.308 8.680 8.310 0.104 0.000 0.474 395 I N -1.595 119.019 120.570 0.073 0.000 2.404 395 I HA 0.651 nan 4.170 nan 0.000 0.293 395 I C -1.793 174.323 176.117 -0.001 0.000 0.992 395 I CA -2.108 59.206 61.300 0.024 0.000 1.149 395 I CB 1.283 39.242 38.000 -0.068 0.000 1.315 395 I HN 0.357 8.893 8.210 0.052 -0.294 0.446 396 N N 8.139 126.844 118.700 0.008 0.000 2.400 396 N HA 0.439 nan 4.740 nan 0.000 0.288 396 N C -1.459 174.079 175.510 0.047 0.000 1.024 396 N CA 0.196 53.258 53.050 0.021 0.000 0.894 396 N CB 2.237 40.737 38.487 0.021 0.000 1.173 396 N HN 0.574 8.845 8.380 0.000 0.109 0.487 397 S N 2.747 118.467 115.700 0.034 0.000 2.929 397 S HA 0.196 nan 4.470 nan 0.000 0.311 397 S C -0.709 173.903 174.600 0.019 0.000 1.213 397 S CA -0.412 57.817 58.200 0.048 0.000 0.908 397 S CB 2.270 65.493 63.200 0.040 0.000 1.287 397 S HN 0.024 8.344 8.310 0.017 0.000 0.594 398 K N 1.996 122.402 120.400 0.010 0.000 2.032 398 K HA -0.149 nan 4.320 nan 0.000 0.209 398 K C 0.006 176.602 176.600 -0.007 0.000 1.048 398 K CA 1.837 58.121 56.287 -0.005 0.000 0.927 398 K CB 0.280 32.768 32.500 -0.020 0.000 0.712 398 K HN 0.061 8.661 8.250 0.016 -0.340 0.441 399 T N 0.426 114.974 114.554 -0.009 0.000 2.807 399 T HA 0.186 nan 4.350 nan 0.000 0.279 399 T C -1.537 173.159 174.700 -0.007 0.000 0.993 399 T CA -0.675 61.420 62.100 -0.009 0.000 0.970 399 T CB 1.977 70.838 68.868 -0.013 0.000 0.950 399 T HN -0.167 8.072 8.240 -0.010 -0.005 0.441 400 A N 3.995 126.814 122.820 -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 -0.003 0.000 1.076 400 A CA 0.770 52.807 52.037 0.000 0.000 0.773 400 A CB 0.037 19.041 19.000 0.008 0.000 1.010 400 A HN 0.317 8.467 8.150 0.000 0.000 0.493 401 N N -2.426 116.267 118.700 -0.011 0.000 2.800 401 N HA -0.425 nan 4.740 nan 0.000 0.250 401 N C -1.540 173.957 175.510 -0.022 0.000 1.078 401 N CA 1.190 54.233 53.050 -0.011 0.000 0.804 401 N CB -1.514 36.982 38.487 0.015 0.000 1.135 401 N HN 0.267 8.532 8.380 -0.015 0.105 0.565 402 V N -8.413 111.479 119.914 -0.037 0.000 2.709 402 V HA 0.786 nan 4.120 nan 0.000 0.308 402 V C -2.170 173.884 176.094 -0.067 0.000 1.062 402 V CA -2.298 59.980 62.300 -0.037 0.000 0.901 402 V CB 3.083 34.895 31.823 -0.019 0.000 1.003 402 V HN -0.602 7.513 8.190 -0.035 0.054 0.425 403 I N 4.159 124.678 120.570 -0.085 0.000 2.474 403 I HA 0.464 nan 4.170 nan 0.000 0.294 403 I C -1.912 174.189 176.117 -0.027 0.000 1.005 403 I CA -1.828 59.416 61.300 -0.094 0.000 1.113 403 I CB 3.732 41.597 38.000 -0.224 0.000 1.289 403 I HN 0.712 8.882 8.210 -0.066 0.000 0.436 404 T N 9.166 123.726 114.554 0.011 0.000 2.859 404 T HA 0.545 nan 4.350 nan 0.000 0.281 404 T C -1.942 172.791 174.700 0.055 0.000 1.005 404 T CA -0.810 61.291 62.100 0.002 0.000 1.025 404 T CB 1.867 70.707 68.868 -0.046 0.000 0.977 404 T HN 0.219 8.485 8.240 0.043 0.000 0.458 405 T N 5.878 120.465 114.554 0.055 0.000 2.876 405 T HA 0.964 nan 4.350 nan 0.000 0.289 405 T C -2.371 172.279 174.700 -0.084 0.000 1.014 405 T CA -1.690 60.497 62.100 0.145 0.000 0.986 405 T CB 1.319 70.380 68.868 0.322 0.000 1.021 405 T HN 0.239 8.491 8.240 0.019 0.000 0.458 406 L N 3.961 125.178 121.223 -0.011 0.000 2.510 406 L HA 0.745 nan 4.340 nan 0.000 0.252 406 L C -1.920 175.041 176.870 0.151 0.000 1.091 406 L CA -1.050 53.674 54.840 -0.192 0.000 0.888 406 L CB 4.286 46.255 42.059 -0.150 0.000 1.507 406 L HN 1.001 9.197 8.230 0.130 0.112 0.407 407 I N -0.838 119.813 120.570 0.135 0.000 2.392 407 I HA 0.506 nan 4.170 nan 0.000 0.295 407 I C -1.933 174.182 176.117 -0.003 0.000 0.985 407 I CA -2.504 58.876 61.300 0.133 0.000 1.221 407 I CB 1.602 39.718 38.000 0.194 0.000 1.366 407 I HN 0.203 8.439 8.210 0.042 0.000 0.467 408 K N 8.032 128.315 120.400 -0.195 0.000 2.371 408 K HA 0.433 nan 4.320 nan 0.000 0.251 408 K C -1.741 174.660 176.600 -0.331 0.000 0.934 408 K CA -2.140 53.984 56.287 -0.271 0.000 0.798 408 K CB 3.415 35.687 32.500 -0.381 0.000 1.204 408 K HN 0.868 8.816 8.250 -0.329 0.105 0.427 409 E N 3.166 123.237 120.200 -0.214 0.000 2.313 409 E HA 0.450 nan 4.350 nan 0.000 0.272 409 E C -1.197 175.154 176.600 -0.415 0.000 1.038 409 E CA -0.848 55.319 56.400 -0.389 0.000 0.863 409 E CB 1.161 30.662 29.700 -0.332 0.000 1.060 409 E HN 0.295 8.570 8.360 -0.141 0.000 0.402 410 S N 1.462 116.769 115.700 -0.656 0.000 2.607 410 S HA 0.399 nan 4.470 nan 0.000 0.273 410 S C -2.152 171.956 174.600 -0.819 0.000 1.148 410 S CA -1.287 56.522 58.200 -0.652 0.000 0.833 410 S CB 2.496 65.323 63.200 -0.620 0.000 1.130 410 S HN 0.727 8.533 8.310 -0.839 0.000 0.470 411 L N 0.986 121.948 121.223 -0.436 0.000 2.370 411 L HA 0.817 nan 4.340 nan 0.000 0.266 411 L C -1.640 175.229 176.870 -0.003 0.000 1.002 411 L CA -1.379 53.327 54.840 -0.223 0.000 0.818 411 L CB 3.214 45.206 42.059 -0.112 0.000 1.325 411 L HN 0.330 8.383 8.230 -0.295 0.000 0.418 412 L N 1.304 122.608 121.223 0.135 0.000 2.365 412 L HA 0.478 nan 4.340 nan 0.000 0.273 412 L C -1.999 174.931 176.870 0.101 0.000 1.000 412 L CA -1.811 53.132 54.840 0.173 0.000 0.819 412 L CB 4.670 46.867 42.059 0.230 0.000 1.284 412 L HN 0.813 9.004 8.230 0.119 0.110 0.418 413 E N 5.066 125.319 120.200 0.089 0.000 2.115 413 E HA 0.315 nan 4.350 nan 0.000 0.282 413 E C 0.097 176.739 176.600 0.071 0.000 0.987 413 E CA -0.623 55.819 56.400 0.069 0.000 0.797 413 E CB 0.751 30.498 29.700 0.078 0.000 1.086 413 E HN 0.331 8.750 8.360 0.098 0.000 0.397 414 L N 6.001 127.247 121.223 0.039 0.000 2.240 414 L HA -0.102 nan 4.340 nan 0.000 0.211 414 L C 1.518 178.370 176.870 -0.029 0.000 1.106 414 L CA 2.310 57.169 54.840 0.031 0.000 0.793 414 L CB -0.037 42.050 42.059 0.047 0.000 0.927 414 L HN 0.878 9.128 8.230 0.033 0.000 0.446 415 S N -0.974 114.658 115.700 -0.113 0.000 2.387 415 S HA -0.410 nan 4.470 nan 0.000 0.230 415 S C 1.584 175.978 174.600 -0.344 0.000 1.035 415 S CA 3.203 61.273 58.200 -0.215 0.000 1.014 415 S CB -0.258 62.703 63.200 -0.397 0.000 0.836 415 S HN -0.083 8.170 8.310 -0.095 0.000 0.466 416 H N -1.054 117.835 119.070 -0.302 0.000 2.389 416 H HA -0.108 nan 4.556 nan 0.000 0.299 416 H C 1.720 176.813 175.328 -0.392 0.000 1.081 416 H CA 2.788 58.520 56.048 -0.528 0.000 1.345 416 H CB 0.047 29.105 29.762 -1.174 0.000 1.393 416 H HN -0.105 7.970 8.280 -0.304 0.023 0.520 417 G N -3.206 105.511 108.800 -0.138 0.000 2.394 417 G HA2 -0.113 nan 3.960 nan 0.000 0.215 417 G HA3 -0.113 nan 3.960 nan 0.000 0.215 417 G C -0.897 173.898 174.900 -0.175 0.000 1.165 417 G CA 1.033 46.035 45.100 -0.164 0.000 0.784 417 G HN -0.256 7.997 8.290 -0.062 0.000 0.535 418 I N -5.637 114.877 120.570 -0.093 0.000 2.797 418 I HA 0.463 nan 4.170 nan 0.000 0.307 418 I C -1.896 174.215 176.117 -0.010 0.000 1.033 418 I CA -3.453 57.818 61.300 -0.049 0.000 1.071 418 I CB 2.366 40.374 38.000 0.014 0.000 1.255 418 I HN -0.558 7.612 8.210 -0.067 0.000 0.445 419 N N 2.600 121.299 118.700 -0.001 0.000 2.434 419 N HA -0.194 nan 4.740 nan 0.000 0.268 419 N C -0.432 175.041 175.510 -0.061 0.000 1.256 419 N CA 0.722 53.761 53.050 -0.018 0.000 0.914 419 N CB -0.282 38.164 38.487 -0.068 0.000 1.088 419 N HN 0.017 8.394 8.380 -0.004 0.000 0.478 420 F N 1.158 121.102 119.950 -0.009 0.000 2.163 420 F HA -0.019 nan 4.527 nan 0.000 0.297 420 F C 0.194 175.987 175.800 -0.012 0.000 1.094 420 F CA 0.297 58.279 58.000 -0.030 0.000 1.290 420 F CB -0.031 38.930 39.000 -0.065 0.000 1.017 420 F HN -0.316 8.179 8.300 0.325 0.000 0.483 421 G N 0.330 108.605 108.800 -0.875 0.000 2.531 421 G HA2 -0.540 nan 3.960 nan 0.000 0.274 421 G HA3 -0.540 nan 3.960 nan 0.000 0.274 421 G C 0.545 175.390 174.900 -0.091 0.000 1.159 421 G CA 1.057 45.901 45.100 -0.427 0.000 0.969 421 G HN -0.404 6.946 8.290 -1.771 -0.122 0.554 422 T N 0.805 115.369 114.554 0.016 0.000 2.857 422 T HA -0.089 nan 4.350 nan 0.000 0.266 422 T C 0.620 175.404 174.700 0.140 0.000 1.048 422 T CA 0.612 62.761 62.100 0.082 0.000 1.139 422 T CB -0.101 68.793 68.868 0.043 0.000 0.874 422 T HN 0.599 8.826 8.240 -0.021 0.000 0.455 423 D N 1.997 122.481 120.400 0.139 0.000 2.443 423 D HA -0.063 nan 4.640 nan 0.000 0.239 423 D C 0.284 176.651 176.300 0.112 0.000 1.136 423 D CA -0.057 54.009 54.000 0.110 0.000 0.879 423 D CB -0.203 40.648 40.800 0.084 0.000 1.195 423 D HN -0.708 7.737 8.370 0.126 0.000 0.443 424 Q N 2.661 122.481 119.800 0.034 0.000 2.079 424 Q HA -0.197 nan 4.340 nan 0.000 0.200 424 Q C 0.196 176.150 176.000 -0.077 0.000 0.974 424 Q CA 3.264 59.048 55.803 -0.032 0.000 0.840 424 Q CB 0.949 29.669 28.738 -0.031 0.000 0.898 424 Q HN -0.066 8.223 8.270 0.032 0.000 0.430 425 S N -4.716 110.962 115.700 -0.036 0.000 2.537 425 S HA 0.381 nan 4.470 nan 0.000 0.271 425 S C -2.712 171.882 174.600 -0.010 0.000 1.148 425 S CA -0.409 57.759 58.200 -0.053 0.000 0.868 425 S CB 2.147 65.314 63.200 -0.056 0.000 1.115 425 S HN -0.533 7.774 8.310 -0.005 0.000 0.461 426 V N -0.195 119.717 119.914 -0.004 0.000 2.444 426 V HA 0.825 nan 4.120 nan 0.000 0.294 426 V C -1.852 174.254 176.094 0.020 0.000 1.022 426 V CA -2.476 59.836 62.300 0.019 0.000 0.850 426 V CB 1.750 33.596 31.823 0.038 0.000 0.992 426 V HN 0.055 8.230 8.190 -0.025 0.000 0.426 427 K N 4.744 125.158 120.400 0.023 0.000 2.318 427 K HA 0.846 nan 4.320 nan 0.000 0.249 427 K C -2.269 174.355 176.600 0.042 0.000 0.942 427 K CA -2.460 53.844 56.287 0.029 0.000 0.808 427 K CB 3.489 35.993 32.500 0.007 0.000 1.189 427 K HN 0.093 8.356 8.250 0.022 0.000 0.428 428 V N 1.900 121.857 119.914 0.071 0.000 2.513 428 V HA 0.624 nan 4.120 nan 0.000 0.299 428 V C -2.244 173.894 176.094 0.074 0.000 1.035 428 V CA -2.848 59.507 62.300 0.091 0.000 0.889 428 V CB 3.246 35.156 31.823 0.144 0.000 0.988 428 V HN 0.685 8.928 8.190 0.089 0.000 0.440 429 K N 9.263 129.671 120.400 0.013 0.000 2.183 429 K HA 0.730 nan 4.320 nan 0.000 0.274 429 K C -1.855 174.693 176.600 -0.087 0.000 1.009 429 K CA -1.359 54.846 56.287 -0.136 0.000 0.888 429 K CB 2.296 34.702 32.500 -0.157 0.000 1.078 429 K HN 0.899 9.073 8.250 0.039 0.099 0.459 430 Y N 2.947 123.159 120.300 -0.146 0.000 2.638 430 Y HA 0.464 nan 4.550 nan 0.000 0.339 430 Y C -2.350 173.381 175.900 -0.281 0.000 1.084 430 Y CA -2.619 55.419 58.100 -0.102 0.000 1.068 430 Y CB 2.279 40.766 38.460 0.045 0.000 1.294 430 Y HN 0.974 8.614 8.280 -0.877 0.114 0.480 431 H N -1.127 118.120 119.070 0.296 0.000 2.622 431 H HA 0.774 nan 4.556 nan 0.000 0.363 431 H C -0.502 174.982 175.328 0.260 0.000 1.151 431 H CA -1.675 54.449 56.048 0.125 0.000 1.184 431 H CB 3.695 33.502 29.762 0.075 0.000 1.643 431 H HN 0.203 8.792 8.280 0.515 0.000 0.531 432 H N -2.100 117.127 119.070 0.263 0.000 3.008 432 H HA 0.323 nan 4.556 nan 0.000 0.354 432 H C -2.244 173.181 175.328 0.162 0.000 1.252 432 H CA -2.148 54.004 56.048 0.173 0.000 1.117 432 H CB 2.666 32.394 29.762 -0.056 0.000 1.857 432 H HN 0.825 8.948 8.280 -0.263 0.000 0.547 433 L N -0.917 120.551 121.223 0.408 0.000 2.417 433 L HA 0.291 nan 4.340 nan 0.000 0.268 433 L C -0.495 176.672 176.870 0.495 0.000 1.158 433 L CA 0.286 55.343 54.840 0.361 0.000 0.819 433 L CB 0.874 43.119 42.059 0.309 0.000 1.112 433 L HN 0.332 8.857 8.230 0.493 0.000 0.458 434 D N 3.497 124.105 120.400 0.348 0.000 2.599 434 D HA 0.326 nan 4.640 nan 0.000 0.252 434 D C -2.507 173.920 176.300 0.213 0.000 1.232 434 D CA -1.032 53.139 54.000 0.285 0.000 0.819 434 D CB 3.879 44.789 40.800 0.183 0.000 1.401 434 D HN 0.736 9.289 8.370 0.305 0.000 0.429 435 H N -2.245 116.903 119.070 0.130 0.000 2.946 435 H HA 0.741 nan 4.556 nan 0.000 0.365 435 H C -1.481 173.843 175.328 -0.006 0.000 1.197 435 H CA -2.109 53.978 56.048 0.066 0.000 1.131 435 H CB 3.006 32.822 29.762 0.090 0.000 1.849 435 H HN 0.015 8.095 8.280 -0.332 0.000 0.555 436 E N 1.143 121.427 120.200 0.141 0.000 2.390 436 E HA 0.041 nan 4.350 nan 0.000 0.261 436 E C -1.613 175.031 176.600 0.073 0.000 1.076 436 E CA -1.917 54.516 56.400 0.054 0.000 0.905 436 E CB 1.182 30.917 29.700 0.059 0.000 0.984 436 E HN 0.057 8.529 8.360 0.185 0.000 0.427 437 P HA 0.100 nan 4.420 nan 0.000 0.275 437 P C -2.054 175.257 177.300 0.018 0.000 1.228 437 P CA 0.288 63.274 63.100 -0.190 0.000 0.786 437 P CB 0.597 32.392 31.700 0.157 0.000 0.927 438 F N -4.073 115.923 119.950 0.076 0.000 2.711 438 F HA 0.652 nan 4.527 nan 0.000 0.313 438 F C -2.168 173.560 175.800 -0.120 0.000 1.141 438 F CA -2.241 55.721 58.000 -0.064 0.000 0.941 438 F CB 2.269 41.159 39.000 -0.182 0.000 1.349 438 F HN -0.498 7.448 8.300 -0.591 0.000 0.464 439 T N -1.415 113.167 114.554 0.047 0.000 2.901 439 T HA 0.785 nan 4.350 nan 0.000 0.293 439 T C -2.120 172.475 174.700 -0.174 0.000 1.084 439 T CA -1.945 60.090 62.100 -0.108 0.000 1.008 439 T CB 3.155 71.996 68.868 -0.046 0.000 1.170 439 T HN 0.265 8.579 8.240 0.125 0.000 0.509 440 Y N 0.334 120.721 120.300 0.145 0.000 2.429 440 Y HA 0.609 nan 4.550 nan 0.000 0.342 440 Y C -1.772 174.153 175.900 0.042 0.000 1.004 440 Y CA -2.022 56.144 58.100 0.110 0.000 1.075 440 Y CB 3.297 41.830 38.460 0.121 0.000 1.214 440 Y HN 0.573 8.903 8.280 0.083 0.000 0.455 441 N N 1.871 120.682 118.700 0.185 0.000 2.448 441 N HA 0.459 nan 4.740 nan 0.000 0.279 441 N C -2.211 173.337 175.510 0.064 0.000 1.025 441 N CA -0.757 52.344 53.050 0.085 0.000 0.898 441 N CB 2.981 41.495 38.487 0.046 0.000 1.303 441 N HN 0.601 9.102 8.380 0.201 0.000 0.495 442 I N 6.651 127.231 120.570 0.018 0.000 2.406 442 I HA 0.590 nan 4.170 nan 0.000 0.290 442 I C -2.309 173.784 176.117 -0.039 0.000 0.999 442 I CA -2.384 58.908 61.300 -0.014 0.000 1.124 442 I CB 3.081 41.056 38.000 -0.042 0.000 1.289 442 I HN 0.578 8.783 8.210 -0.008 0.000 0.441 443 V N 9.772 129.670 119.914 -0.026 0.000 2.407 443 V HA 0.528 nan 4.120 nan 0.000 0.278 443 V C -1.548 174.530 176.094 -0.027 0.000 1.037 443 V CA -0.875 61.410 62.300 -0.024 0.000 0.900 443 V CB 0.455 32.272 31.823 -0.010 0.000 0.983 443 V HN 0.609 8.789 8.190 -0.017 0.000 0.459 444 V N 7.612 127.511 119.914 -0.026 0.000 2.735 444 V HA 0.581 nan 4.120 nan 0.000 0.310 444 V C -2.071 174.024 176.094 0.002 0.000 1.061 444 V CA -1.863 60.427 62.300 -0.016 0.000 0.913 444 V CB 3.631 35.440 31.823 -0.023 0.000 1.005 444 V HN 0.926 8.995 8.190 -0.024 0.106 0.428 445 E N 5.609 125.815 120.200 0.010 0.000 2.133 445 E HA 0.320 nan 4.350 nan 0.000 0.274 445 E C -2.035 174.580 176.600 0.027 0.000 0.930 445 E CA -2.209 54.199 56.400 0.014 0.000 0.770 445 E CB 2.498 32.203 29.700 0.008 0.000 1.104 445 E HN 0.732 9.097 8.360 0.009 0.000 0.403 446 N N 6.878 125.595 118.700 0.028 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 0.039 0.000 0.935 446 N CB 0.528 39.041 38.487 0.043 0.000 1.132 446 N HN 0.245 8.639 8.380 0.022 0.000 0.511 447 N N 7.615 126.320 118.700 0.009 0.000 2.270 447 N HA -0.164 nan 4.740 nan 0.000 0.181 447 N C 0.482 175.986 175.510 -0.010 0.000 1.016 447 N CA 1.896 54.942 53.050 -0.006 0.000 0.870 447 N CB 0.098 38.574 38.487 -0.019 0.000 0.979 447 N HN 0.839 9.134 8.380 0.014 0.093 0.431 448 S N 0.884 116.578 115.700 -0.010 0.000 2.589 448 S HA 0.015 nan 4.470 nan 0.000 0.265 448 S C 1.327 175.926 174.600 -0.002 0.000 1.342 448 S CA 0.455 58.647 58.200 -0.013 0.000 1.005 448 S CB 0.839 64.032 63.200 -0.012 0.000 0.909 448 S HN -0.333 8.199 8.310 -0.001 -0.222 0.555 449 G N -0.866 107.932 108.800 -0.003 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 -1.101 173.802 174.900 0.005 0.000 1.143 449 G CA 0.413 45.514 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 -0.557 122.269 122.820 0.009 0.000 2.288 450 A HA 0.239 nan 4.320 nan 0.000 0.328 450 A C -1.634 175.952 177.584 0.003 0.000 1.123 450 A CA -1.089 50.955 52.037 0.011 0.000 0.861 450 A CB 2.114 21.129 19.000 0.024 0.000 1.272 450 A HN -0.788 7.329 8.150 0.011 0.039 0.490 451 E N -0.461 119.726 120.200 -0.021 0.000 2.373 451 E HA -0.089 nan 4.350 nan 0.000 0.267 451 E C -1.089 175.441 176.600 -0.115 0.000 1.032 451 E CA 0.623 56.976 56.400 -0.077 0.000 0.889 451 E CB 0.610 30.236 29.700 -0.123 0.000 0.984 451 E HN 0.089 8.441 8.360 -0.013 0.000 0.425 452 K N 1.277 121.596 120.400 -0.134 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 -0.315 0.000 0.991 452 K CA -2.546 53.695 56.287 -0.076 0.000 0.845 452 K CB 3.333 35.951 32.500 0.196 0.000 1.197 452 K HN 0.694 8.770 8.250 -0.116 0.104 0.441 453 H N -0.344 118.778 119.070 0.086 0.000 2.547 453 H HA 0.814 nan 4.556 nan 0.000 0.342 453 H C -0.667 174.608 175.328 -0.087 0.000 1.048 453 H CA -0.982 55.105 56.048 0.065 0.000 1.204 453 H CB 2.523 32.589 29.762 0.508 0.000 1.493 453 H HN 0.475 8.872 8.280 0.196 0.000 0.511 454 S N 2.618 118.159 115.700 -0.265 0.000 2.570 454 S HA 0.634 nan 4.470 nan 0.000 0.286 454 S C -1.149 173.324 174.600 -0.211 0.000 1.099 454 S CA -1.610 56.429 58.200 -0.268 0.000 0.913 454 S CB 2.519 65.512 63.200 -0.345 0.000 1.085 454 S HN 0.931 8.856 8.310 -0.641 0.000 0.480 455 T N 3.541 118.034 114.554 -0.101 0.000 2.749 455 T HA 0.475 nan 4.350 nan 0.000 0.287 455 T C -0.956 173.590 174.700 -0.256 0.000 0.970 455 T CA -0.004 62.051 62.100 -0.074 0.000 0.980 455 T CB 0.727 69.623 68.868 0.047 0.000 0.924 455 T HN 0.231 8.394 8.240 -0.128 0.000 0.456 456 V N 8.110 127.699 119.914 -0.542 0.000 2.439 456 V HA 0.509 nan 4.120 nan 0.000 0.282 456 V C -1.283 174.544 176.094 -0.446 0.000 1.039 456 V CA -0.887 61.045 62.300 -0.612 0.000 0.913 456 V CB 0.831 32.005 31.823 -1.082 0.000 0.983 456 V HN 1.151 8.793 8.190 -0.744 0.102 0.460 457 R N 6.023 126.418 120.500 -0.176 0.000 2.480 457 R HA 0.854 nan 4.340 nan 0.000 0.306 457 R C -1.478 174.843 176.300 0.035 0.000 0.958 457 R CA -1.446 54.656 56.100 0.002 0.000 0.861 457 R CB 2.675 33.140 30.300 0.274 0.000 1.171 457 R HN 0.941 9.124 8.270 -0.146 0.000 0.445 458 I N 2.928 123.440 120.570 -0.097 0.000 2.498 458 I HA 0.678 nan 4.170 nan 0.000 0.290 458 I C -1.714 174.287 176.117 -0.192 0.000 1.032 458 I CA -0.978 60.286 61.300 -0.061 0.000 1.073 458 I CB 3.124 40.995 38.000 -0.216 0.000 1.251 458 I HN 0.756 8.839 8.210 -0.212 0.000 0.426 459 F N 4.963 125.057 119.950 0.239 0.000 2.620 459 F HA 0.804 nan 4.527 nan 0.000 0.320 459 F C -2.205 173.750 175.800 0.258 0.000 1.069 459 F CA -1.559 56.590 58.000 0.248 0.000 0.953 459 F CB 4.556 43.699 39.000 0.239 0.000 1.322 459 F HN 0.583 9.184 8.300 0.503 0.000 0.479 460 L N 0.520 121.991 121.223 0.414 0.000 2.386 460 L HA 0.859 nan 4.340 nan 0.000 0.271 460 L C -2.499 174.536 176.870 0.274 0.000 0.993 460 L CA -1.687 53.330 54.840 0.294 0.000 0.819 460 L CB 4.192 46.312 42.059 0.101 0.000 1.294 460 L HN 0.635 9.101 8.230 0.393 0.000 0.414 461 A N 4.713 127.664 122.820 0.217 0.000 2.515 461 A HA 0.759 nan 4.320 nan 0.000 0.298 461 A C -3.601 174.010 177.584 0.045 0.000 1.059 461 A CA -2.761 49.197 52.037 -0.131 0.000 0.698 461 A CB 2.346 20.759 19.000 -0.977 0.000 1.289 461 A HN 0.800 9.128 8.150 0.296 0.000 0.404 462 P HA 0.088 nan 4.420 nan 0.000 0.271 462 P C -1.123 175.988 177.300 -0.314 0.000 1.216 462 P CA -0.548 62.365 63.100 -0.312 0.000 0.771 462 P CB 0.455 31.991 31.700 -0.273 0.000 0.864 463 K N 1.029 121.211 120.400 -0.362 0.000 2.076 463 K HA -0.076 nan 4.320 nan 0.000 0.204 463 K C 0.126 176.454 176.600 -0.454 0.000 1.051 463 K CA 2.284 58.351 56.287 -0.366 0.000 0.949 463 K CB 1.055 33.301 32.500 -0.422 0.000 0.726 463 K HN -0.118 7.830 8.250 -0.503 0.000 0.443 464 Y N -4.538 115.611 120.300 -0.250 0.000 2.310 464 Y HA -0.016 nan 4.550 nan 0.000 0.326 464 Y C -0.231 175.568 175.900 -0.167 0.000 1.151 464 Y CA 0.673 58.665 58.100 -0.181 0.000 1.195 464 Y CB 0.705 39.062 38.460 -0.171 0.000 1.210 464 Y HN -0.591 7.627 8.280 -0.103 0.000 0.483 465 D N 2.620 123.031 120.400 0.018 0.000 2.507 465 D HA 0.085 nan 4.640 nan 0.000 0.280 465 D C -0.063 176.242 176.300 0.009 0.000 1.219 465 D CA -1.281 52.710 54.000 -0.016 0.000 1.085 465 D CB 1.665 42.445 40.800 -0.033 0.000 1.134 465 D HN -0.281 8.106 8.370 0.029 0.000 0.583 466 E N -1.842 118.351 120.200 -0.012 0.000 2.489 466 E HA 0.003 nan 4.350 nan 0.000 0.193 466 E C -0.146 176.453 176.600 -0.002 0.000 1.057 466 E CA 1.120 57.513 56.400 -0.012 0.000 0.866 466 E CB 0.147 29.836 29.700 -0.018 0.000 0.916 466 E HN 0.346 8.692 8.360 -0.023 0.000 0.500 467 L N -1.964 119.263 121.223 0.007 0.000 2.670 467 L HA 0.255 nan 4.340 nan 0.000 0.177 467 L C 0.557 177.443 176.870 0.027 0.000 1.181 467 L CA 1.161 56.007 54.840 0.008 0.000 0.856 467 L CB -0.224 41.835 42.059 0.000 0.000 1.205 467 L HN -0.180 7.959 8.230 0.010 0.097 0.506 468 N N -3.409 115.315 118.700 0.040 0.000 3.277 468 N HA 0.009 nan 4.740 nan 0.000 0.278 468 N C -1.975 173.577 175.510 0.071 0.000 1.544 468 N CA -0.667 52.432 53.050 0.082 0.000 0.869 468 N CB 1.723 40.239 38.487 0.049 0.000 1.584 468 N HN -0.551 7.842 8.380 0.022 0.000 0.564 469 N N -0.135 118.595 118.700 0.050 0.000 2.423 469 N HA -0.171 nan 4.740 nan 0.000 0.275 469 N C -1.315 174.080 175.510 -0.192 0.000 1.283 469 N CA 1.304 54.205 53.050 -0.249 0.000 0.932 469 N CB 0.096 38.390 38.487 -0.321 0.000 1.185 469 N HN 0.258 8.714 8.380 0.127 0.000 0.483 470 K N 4.555 124.843 120.400 -0.187 0.000 2.761 470 K HA 0.217 nan 4.320 nan 0.000 0.257 470 K C -1.216 175.313 176.600 -0.119 0.000 1.053 470 K CA -1.083 55.132 56.287 -0.121 0.000 1.035 470 K CB 1.279 33.737 32.500 -0.071 0.000 1.267 470 K HN -0.279 7.840 8.250 -0.219 0.000 0.505 471 L N 6.181 127.339 121.223 -0.108 0.000 2.416 471 L HA 0.034 nan 4.340 nan 0.000 0.243 471 L C -0.918 175.930 176.870 -0.037 0.000 1.373 471 L CA -0.594 54.197 54.840 -0.082 0.000 1.227 471 L CB -1.260 40.767 42.059 -0.053 0.000 1.428 471 L HN 0.683 8.852 8.230 -0.100 0.000 0.425 472 E N 2.434 122.603 120.200 -0.051 0.000 2.052 472 E HA 0.216 nan 4.350 nan 0.000 0.283 472 E C -1.440 175.149 176.600 -0.018 0.000 1.071 472 E CA -2.496 53.889 56.400 -0.024 0.000 0.851 472 E CB -0.009 29.674 29.700 -0.029 0.000 1.066 472 E HN -0.114 8.156 8.360 -0.079 0.043 0.396 473 P HA -0.250 nan 4.420 nan 0.000 0.219 473 P C 0.593 177.909 177.300 0.027 0.000 1.146 473 P CA 2.559 65.683 63.100 0.040 0.000 0.808 473 P CB 0.131 31.838 31.700 0.012 0.000 0.779 474 D N -1.861 118.544 120.400 0.007 0.000 2.097 474 D HA -0.261 nan 4.640 nan 0.000 0.195 474 D C 2.487 178.787 176.300 0.002 0.000 0.989 474 D CA 3.090 57.094 54.000 0.008 0.000 0.827 474 D CB -0.402 40.401 40.800 0.005 0.000 0.966 474 D HN 0.348 8.698 8.370 0.006 0.024 0.456 475 E N -0.528 119.656 120.200 -0.027 0.000 2.106 475 E HA -0.305 nan 4.350 nan 0.000 0.192 475 E C 2.639 179.172 176.600 -0.110 0.000 0.984 475 E CA 2.594 58.960 56.400 -0.058 0.000 0.806 475 E CB -0.107 29.549 29.700 -0.073 0.000 0.750 475 E HN -0.485 7.858 8.360 -0.029 0.000 0.458 476 Q N -1.665 118.049 119.800 -0.144 0.000 2.234 476 Q HA -0.312 nan 4.340 nan 0.000 0.206 476 Q C 2.067 177.859 176.000 -0.347 0.000 0.980 476 Q CA 2.804 58.364 55.803 -0.405 0.000 0.869 476 Q CB -0.361 28.135 28.738 -0.404 0.000 0.912 476 Q HN -0.222 7.881 8.270 -0.078 0.120 0.436 477 R N -1.716 118.820 120.500 0.060 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 29.841 30.300 0.147 0.000 0.856 477 R HN -0.670 7.502 8.270 0.064 0.136 0.437 478 R N -3.154 117.327 120.500 -0.032 0.000 2.075 478 R HA -0.113 nan 4.340 nan 0.000 0.232 478 R C 2.002 178.239 176.300 -0.104 0.000 1.126 478 R CA 1.482 57.557 56.100 -0.043 0.000 0.963 478 R CB -0.187 30.090 30.300 -0.039 0.000 0.858 478 R HN -0.530 7.718 8.270 -0.037 0.000 0.435 479 L N -1.719 119.375 121.223 -0.214 0.000 2.156 479 L HA -0.187 nan 4.340 nan 0.000 0.208 479 L C 0.615 177.318 176.870 -0.278 0.000 1.095 479 L CA 1.540 56.218 54.840 -0.271 0.000 0.770 479 L CB 0.090 41.903 42.059 -0.410 0.000 0.914 479 L HN -0.741 7.194 8.230 -0.266 0.135 0.439 480 F N -2.574 117.205 119.950 -0.284 0.000 2.608 480 F HA -0.197 nan 4.527 nan 0.000 0.380 480 F C 0.250 176.007 175.800 -0.071 0.000 1.083 480 F CA 1.714 59.520 58.000 -0.324 0.000 1.266 480 F CB 0.158 38.590 39.000 -0.946 0.000 1.076 480 F HN -0.628 7.407 8.300 -0.441 0.000 0.574 481 I N -1.451 119.283 120.570 0.273 0.000 2.530 481 I HA 0.484 nan 4.170 nan 0.000 0.297 481 I C -1.735 174.575 176.117 0.322 0.000 1.011 481 I CA -2.246 59.189 61.300 0.224 0.000 1.107 481 I CB 3.434 41.476 38.000 0.071 0.000 1.285 481 I HN 0.668 9.044 8.210 0.278 0.000 0.436 482 E N 4.767 125.086 120.200 0.198 0.000 2.152 482 E HA 0.133 nan 4.350 nan 0.000 0.285 482 E C -0.249 176.240 176.600 -0.185 0.000 1.043 482 E CA -1.056 55.170 56.400 -0.291 0.000 0.839 482 E CB 1.242 30.875 29.700 -0.113 0.000 1.069 482 E HN -0.209 8.547 8.360 0.257 -0.242 0.399 483 L N 5.936 127.018 121.223 -0.236 0.000 2.095 483 L HA -0.033 nan 4.340 nan 0.000 0.204 483 L C -0.458 176.376 176.870 -0.060 0.000 1.080 483 L CA 1.854 56.659 54.840 -0.058 0.000 0.759 483 L CB 0.444 42.525 42.059 0.036 0.000 0.914 483 L HN 0.453 8.443 8.230 -0.399 0.000 0.439 484 D N -5.453 114.863 120.400 -0.141 0.000 2.720 484 D HA 0.143 nan 4.640 nan 0.000 0.239 484 D C -2.794 173.502 176.300 -0.007 0.000 1.218 484 D CA -0.095 53.903 54.000 -0.003 0.000 0.748 484 D CB 3.287 44.182 40.800 0.160 0.000 1.387 484 D HN -0.635 7.555 8.370 -0.299 0.000 0.438 485 K N 2.263 122.721 120.400 0.096 0.000 2.535 485 K HA 0.761 nan 4.320 nan 0.000 0.250 485 K C -1.916 174.801 176.600 0.194 0.000 0.948 485 K CA -0.574 55.743 56.287 0.049 0.000 0.796 485 K CB 2.982 35.502 32.500 0.032 0.000 1.216 485 K HN -0.259 8.077 8.250 0.142 0.000 0.432 486 F N 1.311 121.285 119.950 0.040 0.000 2.713 486 F HA 0.318 nan 4.527 nan 0.000 0.311 486 F C -3.117 172.759 175.800 0.126 0.000 1.141 486 F CA -1.928 56.120 58.000 0.079 0.000 0.939 486 F CB 1.960 40.996 39.000 0.059 0.000 1.325 486 F HN 0.178 8.181 8.300 -0.495 0.000 0.453 487 F N 0.162 120.223 119.950 0.186 0.000 2.421 487 F HA 0.689 nan 4.527 nan 0.000 0.337 487 F C -2.197 173.721 175.800 0.197 0.000 1.105 487 F CA -1.125 56.895 58.000 0.034 0.000 1.049 487 F CB 2.144 41.037 39.000 -0.177 0.000 1.139 487 F HN -0.200 8.417 8.300 0.528 0.000 0.479 488 Y N 7.541 127.087 120.300 -1.256 0.000 2.562 488 Y HA 0.225 nan 4.550 nan 0.000 0.345 488 Y C -2.467 172.779 175.900 -1.089 0.000 1.045 488 Y CA -0.742 56.882 58.100 -0.794 0.000 1.028 488 Y CB 4.783 43.093 38.460 -0.251 0.000 1.297 488 Y HN 0.718 8.245 8.280 -1.256 0.000 0.463 489 T N 5.393 119.352 114.554 -0.991 0.000 2.823 489 T HA 0.640 nan 4.350 nan 0.000 0.279 489 T C -1.467 173.063 174.700 -0.284 0.000 0.998 489 T CA -0.616 61.158 62.100 -0.543 0.000 0.994 489 T CB 0.941 69.610 68.868 -0.331 0.000 0.960 489 T HN -0.003 7.259 8.240 -1.630 0.000 0.448 490 L N 6.311 127.445 121.223 -0.149 0.000 2.346 490 L HA 0.447 nan 4.340 nan 0.000 0.276 490 L C -0.533 176.310 176.870 -0.044 0.000 1.006 490 L CA -1.419 53.418 54.840 -0.006 0.000 0.817 490 L CB 2.464 44.541 42.059 0.030 0.000 1.272 490 L HN 1.022 8.997 8.230 -0.230 0.117 0.421 491 T N 0.020 114.570 114.554 -0.007 0.000 2.862 491 T HA 0.492 nan 4.350 nan 0.000 0.276 491 T C -2.156 172.546 174.700 0.004 0.000 0.974 491 T CA -3.142 58.950 62.100 -0.014 0.000 0.966 491 T CB -0.485 68.381 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 -0.013 nan 4.420 nan 0.000 0.274 492 P C -0.897 176.409 177.300 0.010 0.000 1.231 492 P CA -0.021 63.084 63.100 0.008 0.000 0.790 492 P CB 0.269 31.972 31.700 0.004 0.000 0.951 493 G N 2.050 110.857 108.800 0.011 0.000 2.627 493 G HA2 -0.364 nan 3.960 nan 0.000 0.214 493 G HA3 -0.364 nan 3.960 nan 0.000 0.214 493 G C -1.746 173.162 174.900 0.013 0.000 1.331 493 G CA -0.581 44.525 45.100 0.010 0.000 0.891 493 G HN 0.045 8.342 8.290 0.011 0.000 0.539 494 K N 1.090 121.497 120.400 0.012 0.000 2.237 494 K HA 0.273 nan 4.320 nan 0.000 0.270 494 K C -0.716 175.894 176.600 0.016 0.000 1.015 494 K CA 0.512 56.805 56.287 0.011 0.000 0.949 494 K CB 0.825 33.330 32.500 0.008 0.000 0.976 494 K HN 0.103 8.359 8.250 0.010 0.000 0.472 495 N N 2.308 121.016 118.700 0.014 0.000 2.242 495 N HA 0.313 nan 4.740 nan 0.000 0.292 495 N C -2.232 173.273 175.510 -0.008 0.000 1.125 495 N CA -0.681 52.382 53.050 0.021 0.000 0.783 495 N CB 5.093 43.609 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 -2.330 112.214 114.554 -0.017 0.000 2.840 496 T HA 0.582 nan 4.350 nan 0.000 0.287 496 T C -0.883 173.745 174.700 -0.120 0.000 0.991 496 T CA -1.437 60.634 62.100 -0.049 0.000 0.964 496 T CB 1.145 70.001 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 6.807 127.254 120.570 -0.206 0.000 2.378 497 I HA 0.337 nan 4.170 nan 0.000 0.291 497 I C -1.401 174.609 176.117 -0.177 0.000 0.992 497 I CA -0.851 60.209 61.300 -0.400 0.000 1.154 497 I CB 2.519 40.151 38.000 -0.613 0.000 1.315 497 I HN 0.771 8.783 8.210 -0.146 0.110 0.448 498 V N 7.399 127.228 119.914 -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 -1.524 60.743 62.300 -0.054 0.000 0.887 498 V CB 1.822 33.625 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 7.734 128.206 120.500 -0.045 0.000 2.725 499 R HA 0.474 nan 4.340 nan 0.000 0.277 499 R C -2.292 173.970 176.300 -0.064 0.000 0.987 499 R CA -2.568 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 0.220 8.527 8.270 0.062 0.000 0.463 500 N N 3.482 122.089 118.700 -0.156 0.000 2.466 500 N HA 0.358 nan 4.740 nan 0.000 0.294 500 N C 1.136 176.485 175.510 -0.267 0.000 1.129 500 N CA -1.413 51.510 53.050 -0.212 0.000 0.931 500 N CB 1.479 39.816 38.487 -0.249 0.000 1.193 500 N HN 0.352 8.609 8.380 -0.204 0.000 0.500 501 H N 0.517 119.312 119.070 -0.458 0.000 2.421 501 H HA -0.310 nan 4.556 nan 0.000 0.298 501 H C 2.132 177.314 175.328 -0.243 0.000 1.087 501 H CA 3.721 59.458 56.048 -0.518 0.000 1.330 501 H CB -0.045 28.950 29.762 -1.278 0.000 1.388 501 H HN 0.580 8.594 8.280 -0.444 0.000 0.526 502 Q N -1.162 117.936 119.800 -1.169 0.000 2.135 502 Q HA -0.335 nan 4.340 nan 0.000 0.204 502 Q C 0.794 176.593 176.000 -0.335 0.000 0.981 502 Q CA 2.609 57.941 55.803 -0.785 0.000 0.856 502 Q CB -0.838 27.528 28.738 -0.621 0.000 0.902 502 Q HN 0.341 7.857 8.270 -1.202 0.033 0.425 503 D N -2.566 117.669 120.400 -0.275 0.000 2.310 503 D HA -0.011 nan 4.640 nan 0.000 0.212 503 D C 0.482 176.717 176.300 -0.107 0.000 0.965 503 D CA 0.543 54.437 54.000 -0.177 0.000 0.879 503 D CB 0.164 40.846 40.800 -0.197 0.000 0.921 503 D HN -0.605 7.644 8.370 -0.324 -0.073 0.510 504 S N 0.714 116.374 115.700 -0.066 0.000 2.715 504 S HA -0.351 nan 4.470 nan 0.000 0.318 504 S C 0.810 175.400 174.600 -0.017 0.000 1.242 504 S CA 0.611 58.815 58.200 0.005 0.000 1.044 504 S CB 0.342 63.582 63.200 0.067 0.000 0.760 504 S HN -0.474 7.586 8.310 -0.097 0.192 0.501 505 S N 8.706 124.398 115.700 -0.014 0.000 2.453 505 S HA -0.171 nan 4.470 nan 0.000 0.231 505 S C 1.623 176.159 174.600 -0.107 0.000 1.005 505 S CA 3.251 61.430 58.200 -0.034 0.000 0.949 505 S CB 0.109 63.305 63.200 -0.006 0.000 0.774 505 S HN 0.137 8.748 8.310 0.019 -0.290 0.510 506 V N -6.270 113.526 119.914 -0.196 0.000 2.719 506 V HA 0.046 nan 4.120 nan 0.000 0.252 506 V C -0.522 175.487 176.094 -0.142 0.000 1.065 506 V CA 1.438 63.471 62.300 -0.446 0.000 1.086 506 V CB -0.832 30.618 31.823 -0.621 0.000 0.700 506 V HN -0.631 7.445 8.190 -0.138 0.032 0.467 507 T N -3.848 110.706 114.554 -0.001 0.000 2.945 507 T HA 0.536 nan 4.350 nan 0.000 0.286 507 T C -1.403 173.331 174.700 0.057 0.000 1.025 507 T CA -2.694 59.461 62.100 0.091 0.000 1.039 507 T CB 2.421 71.356 68.868 0.112 0.000 1.068 507 T HN -0.711 7.478 8.240 -0.019 0.039 0.497 508 I N 2.286 122.896 120.570 0.068 0.000 2.416 508 I HA 0.066 nan 4.170 nan 0.000 0.288 508 I C 0.004 176.115 176.117 -0.011 0.000 1.051 508 I CA -2.035 59.280 61.300 0.026 0.000 1.375 508 I CB 1.746 39.770 38.000 0.040 0.000 1.407 508 I HN 0.122 8.385 8.210 0.088 0.000 0.516 509 S N 9.416 125.086 115.700 -0.050 0.000 2.383 509 S HA -0.227 nan 4.470 nan 0.000 0.227 509 S C -0.141 174.421 174.600 -0.063 0.000 1.026 509 S CA 2.360 60.521 58.200 -0.065 0.000 0.981 509 S CB 0.466 63.608 63.200 -0.096 0.000 0.818 509 S HN 0.424 8.948 8.310 -0.065 -0.253 0.472 510 K N -1.310 119.040 120.400 -0.085 0.000 2.589 510 K HA -0.009 nan 4.320 nan 0.000 0.265 510 K C -2.309 174.243 176.600 -0.081 0.000 0.935 510 K CA -0.054 56.191 56.287 -0.070 0.000 0.850 510 K CB 2.176 34.629 32.500 -0.077 0.000 1.372 510 K HN -0.802 7.382 8.250 -0.111 0.000 0.420 511 V N 2.194 122.084 119.914 -0.040 0.000 2.417 511 V HA 0.182 nan 4.120 nan 0.000 0.291 511 V C -0.748 175.341 176.094 -0.008 0.000 1.024 511 V CA -1.826 60.458 62.300 -0.027 0.000 0.861 511 V CB 1.525 33.334 31.823 -0.023 0.000 0.985 511 V HN 0.104 8.279 8.190 -0.025 0.000 0.436 512 R N 6.829 127.354 120.500 0.041 0.000 2.441 512 R HA 0.209 nan 4.340 nan 0.000 0.284 512 R C -0.268 175.995 176.300 -0.061 0.000 1.070 512 R CA -0.734 55.383 56.100 0.028 0.000 1.047 512 R CB 0.459 30.824 30.300 0.109 0.000 1.016 512 R HN 0.091 8.420 8.270 0.099 0.000 0.477 513 T N 0.107 114.627 114.554 -0.056 0.000 2.810 513 T HA 0.280 nan 4.350 nan 0.000 0.277 513 T C 1.192 175.807 174.700 -0.141 0.000 0.973 513 T CA -0.953 61.099 62.100 -0.080 0.000 0.949 513 T CB 1.762 70.637 68.868 0.012 0.000 1.075 513 T HN 0.004 8.232 8.240 -0.021 0.000 0.537 514 F N 0.931 120.733 119.950 -0.246 0.000 2.126 514 F HA -0.332 nan 4.527 nan 0.000 0.299 514 F C 1.739 177.428 175.800 -0.185 0.000 1.096 514 F CA 4.890 62.668 58.000 -0.369 0.000 1.255 514 F CB -0.025 38.358 39.000 -1.028 0.000 0.997 514 F HN 0.135 8.702 8.300 -0.004 -0.270 0.479 515 D N -2.321 118.152 120.400 0.121 0.000 2.117 515 D HA -0.270 nan 4.640 nan 0.000 0.197 515 D C 2.561 178.887 176.300 0.043 0.000 0.987 515 D CA 3.850 57.911 54.000 0.102 0.000 0.829 515 D CB -0.644 40.215 40.800 0.099 0.000 0.961 515 D HN -0.446 8.012 8.370 0.151 0.002 0.460 516 Q N -0.862 118.948 119.800 0.016 0.000 2.050 516 Q HA -0.264 nan 4.340 nan 0.000 0.202 516 Q C 2.475 178.466 176.000 -0.015 0.000 0.980 516 Q CA 2.901 58.706 55.803 0.003 0.000 0.840 516 Q CB 0.010 28.748 28.738 0.001 0.000 0.898 516 Q HN -0.789 7.315 8.270 0.007 0.170 0.424 517 L N -2.305 118.887 121.223 -0.051 0.000 2.056 517 L HA -0.263 nan 4.340 nan 0.000 0.207 517 L C 2.413 179.258 176.870 -0.042 0.000 1.078 517 L CA 2.059 56.846 54.840 -0.088 0.000 0.749 517 L CB -0.324 41.634 42.059 -0.169 0.000 0.901 517 L HN -0.215 7.886 8.230 -0.065 0.090 0.433 518 G N -2.081 106.722 108.800 0.004 0.000 2.442 518 G HA2 -0.312 nan 3.960 nan 0.000 0.219 518 G HA3 -0.312 nan 3.960 nan 0.000 0.219 518 G C 0.116 175.022 174.900 0.010 0.000 1.141 518 G CA 0.790 45.906 45.100 0.027 0.000 0.763 518 G HN -0.020 8.281 8.290 0.018 0.000 0.554 519 A N 1.781 124.604 122.820 0.006 0.000 2.213 519 A HA -0.020 nan 4.320 nan 0.000 0.192 519 A C -0.082 177.497 177.584 -0.009 0.000 1.296 519 A CA 0.878 52.916 52.037 0.002 0.000 0.703 519 A CB 0.684 19.686 19.000 0.004 0.000 0.941 519 A HN -0.538 7.537 8.150 0.010 0.080 0.517 520 G N -2.225 106.567 108.800 -0.014 0.000 2.225 520 G HA2 -0.096 nan 3.960 nan 0.000 0.184 520 G HA3 -0.096 nan 3.960 nan 0.000 0.184 520 G C -1.725 173.169 174.900 -0.010 0.000 2.549 520 G CA -0.152 44.934 45.100 -0.022 0.000 0.925 520 G HN -0.044 8.241 8.290 -0.008 0.000 0.550 521 E N 3.051 123.253 120.200 0.003 0.000 2.819 521 E HA 0.423 nan 4.350 nan 0.000 0.241 521 E C -0.148 176.479 176.600 0.046 0.000 0.987 521 E CA -1.249 55.168 56.400 0.027 0.000 1.024 521 E CB 1.762 31.492 29.700 0.049 0.000 1.448 521 E HN 0.275 8.632 8.360 -0.005 0.000 0.484 522 G N -0.054 108.783 108.800 0.062 0.000 3.298 522 G HA2 0.080 nan 3.960 nan 0.000 0.303 522 G HA3 0.080 nan 3.960 nan 0.000 0.303 522 G C -1.344 173.583 174.900 0.045 0.000 1.668 522 G CA -0.065 45.073 45.100 0.063 0.000 0.733 522 G HN 0.035 8.356 8.290 0.051 0.000 0.453 523 V N 1.837 121.793 119.914 0.069 0.000 2.379 523 V HA -0.095 nan 4.120 nan 0.000 0.243 523 V C 0.211 176.277 176.094 -0.046 0.000 1.035 523 V CA 2.017 64.273 62.300 -0.073 0.000 1.035 523 V CB 0.411 32.031 31.823 -0.338 0.000 0.673 523 V HN 0.681 9.003 8.190 0.219 0.000 0.457 524 S N -2.240 113.487 115.700 0.046 0.000 3.923 524 S HA 0.109 nan 4.470 nan 0.000 0.280 524 S C -2.080 172.621 174.600 0.167 0.000 1.070 524 S CA -0.854 57.391 58.200 0.076 0.000 1.300 524 S CB 2.362 65.583 63.200 0.035 0.000 1.322 524 S HN -0.330 8.021 8.310 0.068 0.000 0.762 525 E N 0.980 121.229 120.200 0.081 0.000 2.141 525 E HA 0.192 nan 4.350 nan 0.000 0.259 525 E C -1.536 175.078 176.600 0.023 0.000 0.883 525 E CA -1.523 54.898 56.400 0.034 0.000 0.744 525 E CB 0.843 30.502 29.700 -0.070 0.000 1.150 525 E HN 0.084 8.463 8.360 0.033 0.000 0.420 526 D N 3.900 124.364 120.400 0.106 0.000 2.574 526 D HA 0.319 nan 4.640 nan 0.000 0.210 526 D C -0.313 175.983 176.300 -0.007 0.000 1.277 526 D CA -1.024 53.021 54.000 0.074 0.000 1.121 526 D CB 2.518 43.395 40.800 0.128 0.000 1.192 526 D HN 0.091 8.581 8.370 0.200 0.000 0.602 527 S N -1.588 114.118 115.700 0.010 0.000 4.228 527 S HA 0.280 nan 4.470 nan 0.000 0.207 527 S C 1.007 175.578 174.600 -0.048 0.000 1.152 527 S CA 0.489 58.652 58.200 -0.060 0.000 1.645 527 S CB 1.536 64.688 63.200 -0.080 0.000 1.307 527 S HN -0.053 8.300 8.310 0.070 0.000 0.761 528 T N 3.008 117.531 114.554 -0.053 0.000 3.055 528 T HA -0.096 nan 4.350 nan 0.000 0.265 528 T C 1.552 176.203 174.700 -0.082 0.000 1.111 528 T CA 3.866 65.945 62.100 -0.037 0.000 1.118 528 T CB -0.236 68.649 68.868 0.030 0.000 0.909 528 T HN 0.485 8.687 8.240 -0.064 0.000 0.501 529 E N 0.488 120.649 120.200 -0.065 0.000 2.106 529 E HA -0.353 nan 4.350 nan 0.000 0.192 529 E C 1.379 177.960 176.600 -0.032 0.000 0.984 529 E CA 2.919 59.288 56.400 -0.051 0.000 0.806 529 E CB -0.785 28.886 29.700 -0.048 0.000 0.750 529 E HN 0.109 8.392 8.360 -0.068 0.036 0.458 530 Y N -1.382 118.832 120.300 -0.142 0.000 2.029 530 Y HA -0.409 nan 4.550 nan 0.000 0.269 530 Y C -0.190 175.632 175.900 -0.130 0.000 1.201 530 Y CA 3.569 61.593 58.100 -0.127 0.000 1.115 530 Y CB 0.111 38.494 38.460 -0.129 0.000 0.945 530 Y HN 0.215 8.369 8.280 0.092 0.181 0.497 531 C N -8.081 111.223 119.300 0.006 0.000 4.111 531 C HA 0.232 nan 4.460 nan 0.000 0.443 531 C C 0.378 175.309 174.990 -0.099 0.000 1.586 531 C CA -2.122 56.843 59.018 -0.089 0.000 2.085 531 C CB 0.656 28.437 27.740 0.067 0.000 3.126 531 C HN 0.013 8.268 8.230 0.042 0.000 0.684 532 S N 2.855 118.417 115.700 -0.231 0.000 2.361 532 S HA -0.225 nan 4.470 nan 0.000 0.214 532 S C 0.434 174.920 174.600 -0.190 0.000 1.034 532 S CA 2.696 60.562 58.200 -0.556 0.000 1.025 532 S CB 0.130 62.447 63.200 -1.471 0.000 0.996 532 S HN -0.200 7.967 8.310 -0.239 0.000 0.422 533 C N -0.722 118.489 119.300 -0.148 0.000 2.876 533 C HA -0.089 nan 4.460 nan 0.000 0.276 533 C C 0.171 175.396 174.990 0.392 0.000 1.582 533 C CA 1.514 60.682 59.018 0.250 0.000 2.061 533 C CB 0.460 28.311 27.740 0.184 0.000 2.044 533 C HN -0.649 7.432 8.230 -0.250 0.000 0.647 534 G N -0.564 108.584 108.800 0.581 0.000 2.722 534 G HA2 -0.334 nan 3.960 nan 0.000 0.686 534 G HA3 -0.334 nan 3.960 nan 0.000 0.686 534 G C -1.445 173.662 174.900 0.345 0.000 1.282 534 G CA -0.547 44.803 45.100 0.417 0.000 0.817 534 G HN 0.125 8.815 8.290 0.666 0.000 0.605 535 W N 2.004 123.282 121.300 -0.036 0.000 2.190 535 W HA 0.031 nan 4.660 nan 0.000 0.330 535 W C -1.322 175.153 176.519 -0.073 0.000 1.299 535 W CA -1.777 55.473 57.345 -0.158 0.000 1.215 535 W CB 1.176 30.679 29.460 0.071 0.000 1.147 535 W HN 0.627 9.054 8.180 0.412 0.000 0.563 536 P HA -0.174 nan 4.420 nan 0.000 0.265 536 P C -1.002 176.142 177.300 -0.260 0.000 1.193 536 P CA 0.345 63.242 63.100 -0.338 0.000 0.765 536 P CB 0.377 31.730 31.700 -0.580 0.000 0.823 537 E N 4.046 124.185 120.200 -0.102 0.000 2.077 537 E HA -0.399 nan 4.350 nan 0.000 0.193 537 E C 2.044 178.680 176.600 0.060 0.000 0.989 537 E CA 3.457 59.886 56.400 0.048 0.000 0.800 537 E CB 0.051 29.797 29.700 0.077 0.000 0.746 537 E HN 0.718 9.040 8.360 -0.063 0.000 0.452 538 H N -3.327 115.769 119.070 0.044 0.000 2.421 538 H HA -0.168 nan 4.556 nan 0.000 0.298 538 H C 1.806 177.285 175.328 0.252 0.000 1.087 538 H CA 2.417 58.512 56.048 0.079 0.000 1.330 538 H CB -0.742 29.059 29.762 0.066 0.000 1.388 538 H HN 0.225 8.461 8.280 -0.074 0.000 0.526 539 M N -1.992 117.526 119.600 -0.138 0.000 2.630 539 M HA -0.095 nan 4.480 nan 0.000 0.254 539 M C 1.709 178.219 176.300 0.349 0.000 1.092 539 M CA -0.371 54.987 55.300 0.096 0.000 1.087 539 M CB -1.535 30.966 32.600 -0.166 0.000 1.453 539 M HN -0.698 7.176 8.290 -0.615 0.047 0.509 540 L N -0.042 121.408 121.223 0.378 0.000 2.043 540 L HA -0.276 nan 4.340 nan 0.000 0.212 540 L C -0.456 176.537 176.870 0.204 0.000 1.075 540 L CA 2.938 57.988 54.840 0.350 0.000 0.752 540 L CB 0.231 42.531 42.059 0.402 0.000 0.891 540 L HN -0.509 7.774 8.230 0.384 0.176 0.432 541 I N -4.627 116.005 120.570 0.103 0.000 2.797 541 I HA 0.201 nan 4.170 nan 0.000 0.307 541 I C -1.988 174.150 176.117 0.036 0.000 1.033 541 I CA -3.557 57.719 61.300 -0.040 0.000 1.071 541 I CB 0.835 38.690 38.000 -0.242 0.000 1.255 541 I HN -0.522 7.794 8.210 0.189 0.008 0.445 542 P HA 0.073 nan 4.420 nan 0.000 0.272 542 P C -1.426 175.891 177.300 0.029 0.000 1.240 542 P CA -0.622 62.477 63.100 -0.002 0.000 0.791 542 P CB 0.640 32.274 31.700 -0.110 0.000 0.978 543 R N 0.280 120.840 120.500 0.099 0.000 2.081 543 R HA -0.290 nan 4.340 nan 0.000 0.235 543 R C 0.693 177.052 176.300 0.099 0.000 1.131 543 R CA 1.122 57.249 56.100 0.044 0.000 0.960 543 R CB 0.583 30.754 30.300 -0.215 0.000 0.856 543 R HN -0.110 8.495 8.270 0.165 -0.236 0.436 544 G N -2.125 106.755 108.800 0.133 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 -1.007 173.988 174.900 0.158 0.000 1.312 544 G CA -0.321 44.915 45.100 0.227 0.000 0.896 544 G HN -0.667 7.708 8.290 0.141 0.000 0.574 545 S N -0.559 115.243 115.700 0.170 0.000 2.685 545 S HA 0.306 nan 4.470 nan 0.000 0.282 545 S C 0.204 174.923 174.600 0.199 0.000 1.159 545 S CA -1.578 56.715 58.200 0.155 0.000 0.833 545 S CB 2.845 66.098 63.200 0.089 0.000 1.151 545 S HN -0.401 8.020 8.310 0.184 0.000 0.485 546 H N 4.137 123.290 119.070 0.137 0.000 2.421 546 H HA -0.224 nan 4.556 nan 0.000 0.298 546 H C -0.559 174.811 175.328 0.070 0.000 1.087 546 H CA 3.200 59.319 56.048 0.118 0.000 1.330 546 H CB 0.336 30.148 29.762 0.084 0.000 1.388 546 H HN 0.704 9.157 8.280 0.289 0.000 0.526 547 K N -5.595 114.890 120.400 0.140 0.000 2.211 547 K HA -0.182 nan 4.320 nan 0.000 0.203 547 K C 0.162 176.774 176.600 0.019 0.000 1.050 547 K CA 0.301 56.627 56.287 0.066 0.000 0.945 547 K CB -0.143 32.375 32.500 0.031 0.000 0.732 547 K HN -0.222 8.120 8.250 0.172 0.012 0.451 548 G N 0.839 109.661 108.800 0.035 0.000 2.894 548 G HA2 -0.326 nan 3.960 nan 0.000 0.263 548 G HA3 -0.326 nan 3.960 nan 0.000 0.263 548 G C -1.386 173.552 174.900 0.064 0.000 1.013 548 G CA -0.531 44.598 45.100 0.049 0.000 1.226 548 G HN -0.423 7.721 8.290 0.062 0.183 0.563 549 M N 2.114 121.781 119.600 0.113 0.000 2.243 549 M HA -0.046 nan 4.480 nan 0.000 0.341 549 M C -1.494 174.879 176.300 0.122 0.000 1.130 549 M CA 0.539 55.879 55.300 0.067 0.000 1.162 549 M CB 2.195 34.854 32.600 0.099 0.000 1.497 549 M HN 0.079 8.469 8.290 0.166 0.000 0.456 550 E N 3.255 123.472 120.200 0.028 0.000 2.227 550 E HA 0.545 nan 4.350 nan 0.000 0.282 550 E C -0.933 175.549 176.600 -0.196 0.000 1.015 550 E CA -0.180 56.269 56.400 0.082 0.000 0.823 550 E CB 1.319 31.135 29.700 0.193 0.000 1.081 550 E HN 0.225 8.596 8.360 0.018 0.000 0.396 551 F N 3.099 123.086 119.950 0.061 0.000 2.576 551 F HA 0.541 nan 4.527 nan 0.000 0.313 551 F C -1.592 174.233 175.800 0.043 0.000 1.078 551 F CA -1.377 56.642 58.000 0.033 0.000 0.921 551 F CB 4.354 43.367 39.000 0.022 0.000 1.232 551 F HN 0.595 9.075 8.300 0.301 0.000 0.459 552 E N 1.523 121.853 120.200 0.217 0.000 2.313 552 E HA 0.432 nan 4.350 nan 0.000 0.276 552 E C -1.838 174.934 176.600 0.286 0.000 1.031 552 E CA -0.831 55.697 56.400 0.214 0.000 0.857 552 E CB 2.402 32.227 29.700 0.208 0.000 1.040 552 E HN 0.817 9.178 8.360 0.156 0.093 0.408 553 L N 6.899 128.274 121.223 0.254 0.000 2.305 553 L HA 0.638 nan 4.340 nan 0.000 0.284 553 L C -2.268 174.776 176.870 0.290 0.000 1.013 553 L CA -0.795 54.191 54.840 0.242 0.000 0.819 553 L CB 2.347 44.500 42.059 0.158 0.000 1.227 553 L HN 0.399 8.655 8.230 0.212 0.101 0.417 554 F N 9.502 129.568 119.950 0.193 0.000 2.482 554 F HA 0.674 nan 4.527 nan 0.000 0.331 554 F C -2.411 173.474 175.800 0.141 0.000 1.115 554 F CA -1.924 56.191 58.000 0.191 0.000 0.955 554 F CB 3.549 42.712 39.000 0.272 0.000 1.136 554 F HN 0.767 9.329 8.300 0.437 0.000 0.452 555 V N 8.453 128.001 119.914 -0.611 0.000 2.588 555 V HA 0.721 nan 4.120 nan 0.000 0.304 555 V C -2.531 173.139 176.094 -0.705 0.000 1.042 555 V CA -1.438 60.597 62.300 -0.443 0.000 0.877 555 V CB 2.948 34.605 31.823 -0.276 0.000 0.996 555 V HN 0.990 8.691 8.190 -0.815 0.000 0.425 556 M N 5.550 124.931 119.600 -0.365 0.000 2.457 556 M HA 0.857 nan 4.480 nan 0.000 0.300 556 M C -2.647 173.578 176.300 -0.126 0.000 1.141 556 M CA -1.290 53.868 55.300 -0.236 0.000 0.901 556 M CB 4.398 37.017 32.600 0.031 0.000 1.687 556 M HN 0.670 8.853 8.290 -0.179 0.000 0.449 557 L N 5.216 126.375 121.223 -0.106 0.000 2.346 557 L HA 0.691 nan 4.340 nan 0.000 0.276 557 L C -1.710 175.097 176.870 -0.106 0.000 1.006 557 L CA -0.749 54.009 54.840 -0.138 0.000 0.817 557 L CB 1.962 43.924 42.059 -0.162 0.000 1.272 557 L HN 0.438 8.612 8.230 -0.092 0.000 0.421 558 T N 2.221 116.674 114.554 -0.169 0.000 2.916 558 T HA 0.343 nan 4.350 nan 0.000 0.292 558 T C -1.927 172.539 174.700 -0.391 0.000 1.064 558 T CA -1.673 60.335 62.100 -0.154 0.000 1.011 558 T CB 3.252 72.106 68.868 -0.024 0.000 1.152 558 T HN -0.007 8.112 8.240 -0.201 0.000 0.510 559 D N 1.169 121.362 120.400 -0.346 0.000 2.358 559 D HA 0.045 nan 4.640 nan 0.000 0.258 559 D C 0.396 176.659 176.300 -0.062 0.000 1.223 559 D CA -0.540 53.263 54.000 -0.328 0.000 0.886 559 D CB 0.560 41.486 40.800 0.211 0.000 1.120 559 D HN 0.379 8.700 8.370 -0.081 0.000 0.482 560 H N 8.649 127.691 119.070 -0.047 0.000 2.389 560 H HA -0.330 nan 4.556 nan 0.000 0.299 560 H C 1.727 177.079 175.328 0.040 0.000 1.081 560 H CA 4.081 60.177 56.048 0.080 0.000 1.345 560 H CB 0.635 30.614 29.762 0.361 0.000 1.393 560 H HN 0.244 8.568 8.280 0.074 0.000 0.520 561 D N -0.530 119.941 120.400 0.119 0.000 2.123 561 D HA -0.262 nan 4.640 nan 0.000 0.196 561 D C 1.793 178.056 176.300 -0.061 0.000 0.992 561 D CA 3.118 57.137 54.000 0.031 0.000 0.833 561 D CB -0.497 40.366 40.800 0.106 0.000 0.954 561 D HN -0.111 8.679 8.370 0.218 -0.289 0.455 562 E N -0.893 119.287 120.200 -0.034 0.000 2.047 562 E HA -0.220 nan 4.350 nan 0.000 0.191 562 E C 1.267 177.786 176.600 -0.135 0.000 0.987 562 E CA 2.188 58.552 56.400 -0.059 0.000 0.799 562 E CB 0.232 29.915 29.700 -0.028 0.000 0.752 562 E HN -0.480 7.890 8.360 0.022 0.002 0.449 563 D N -2.053 118.230 120.400 -0.196 0.000 2.144 563 D HA -0.136 nan 4.640 nan 0.000 0.199 563 D C 0.252 176.378 176.300 -0.289 0.000 0.984 563 D CA 1.860 55.720 54.000 -0.233 0.000 0.834 563 D CB 0.443 41.108 40.800 -0.225 0.000 0.955 563 D HN -0.470 7.734 8.370 -0.169 0.065 0.465 564 T N -0.957 113.319 114.554 -0.464 0.000 2.882 564 T HA 0.064 nan 4.350 nan 0.000 0.287 564 T C -0.022 174.558 174.700 -0.200 0.000 1.014 564 T CA 0.095 61.971 62.100 -0.375 0.000 1.049 564 T CB 0.850 69.428 68.868 -0.484 0.000 1.001 564 T HN -0.301 7.590 8.240 -0.581 0.000 0.525 565 V N -0.145 119.688 119.914 -0.135 0.000 2.834 565 V HA 0.396 nan 4.120 nan 0.000 0.313 565 V C -1.032 175.017 176.094 -0.074 0.000 1.060 565 V CA -2.909 59.341 62.300 -0.083 0.000 0.989 565 V CB 1.373 33.166 31.823 -0.051 0.000 1.041 565 V HN 0.110 8.219 8.190 -0.136 0.000 0.459 566 A N 2.193 124.981 122.820 -0.054 0.000 2.325 566 A HA 0.572 nan 4.320 nan 0.000 0.333 566 A C -0.630 176.935 177.584 -0.032 0.000 1.155 566 A CA -0.396 51.613 52.037 -0.047 0.000 0.814 566 A CB 1.623 20.599 19.000 -0.041 0.000 1.206 566 A HN 0.371 8.494 8.150 -0.045 0.000 0.482 567 G N -1.075 107.707 108.800 -0.030 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 -1.970 172.917 174.900 -0.021 0.000 1.369 567 G CA -0.202 44.886 45.100 -0.020 0.000 0.821 567 G HN -0.123 8.145 8.290 -0.037 0.000 0.536 568 L N 0.836 122.050 121.223 -0.014 0.000 2.415 568 L HA 0.406 nan 4.340 nan 0.000 0.268 568 L C -0.483 176.380 176.870 -0.011 0.000 0.984 568 L CA 0.218 55.049 54.840 -0.015 0.000 0.853 568 L CB 1.002 43.054 42.059 -0.012 0.000 1.215 568 L HN 0.256 8.481 8.230 -0.008 0.000 0.419 569 S N 3.635 119.326 115.700 -0.015 0.000 4.225 569 S HA 0.201 nan 4.470 nan 0.000 0.215 569 S C -1.006 173.585 174.600 -0.014 0.000 1.051 569 S CA -0.903 57.290 58.200 -0.012 0.000 1.729 569 S CB 1.026 64.218 63.200 -0.014 0.000 0.892 569 S HN 0.344 8.641 8.310 -0.021 0.000 0.720 570 E N 1.244 121.434 120.200 -0.017 0.000 2.405 570 E HA 0.178 nan 4.350 nan 0.000 0.249 570 E C -0.867 175.720 176.600 -0.022 0.000 1.028 570 E CA -0.680 55.710 56.400 -0.017 0.000 0.897 570 E CB 1.537 31.227 29.700 -0.015 0.000 1.262 570 E HN 0.143 8.492 8.360 -0.019 0.000 0.442 571 N N -0.892 117.796 118.700 -0.020 0.000 2.235 571 N HA -0.107 nan 4.740 nan 0.000 0.231 571 N C -1.208 174.287 175.510 -0.025 0.000 1.330 571 N CA -0.073 52.964 53.050 -0.023 0.000 0.898 571 N CB 0.450 38.925 38.487 -0.020 0.000 1.151 571 N HN -0.104 8.265 8.380 -0.017 0.000 0.472 572 A N -1.458 121.346 122.820 -0.027 0.000 2.476 572 A HA -0.028 nan 4.320 nan 0.000 0.275 572 A C -1.444 176.122 177.584 -0.029 0.000 1.133 572 A CA 0.262 52.281 52.037 -0.031 0.000 0.797 572 A CB 0.196 19.177 19.000 -0.032 0.000 1.081 572 A HN 0.132 8.266 8.150 -0.026 0.000 0.510 573 V N 3.691 123.586 119.914 -0.031 0.000 3.528 573 V HA 0.160 nan 4.120 nan 0.000 0.301 573 V C -0.982 175.090 176.094 -0.037 0.000 1.332 573 V CA -1.834 60.449 62.300 -0.028 0.000 1.004 573 V CB 3.378 35.187 31.823 -0.023 0.000 1.222 573 V HN -0.207 7.963 8.190 -0.033 0.000 0.478 574 C N 2.144 121.424 119.300 -0.035 0.000 2.551 574 C HA 0.175 nan 4.460 nan 0.000 0.378 574 C C 0.504 175.478 174.990 -0.028 0.000 1.101 574 C CA 0.331 59.324 59.018 -0.042 0.000 1.360 574 C CB -3.168 24.552 27.740 -0.033 0.000 1.895 574 C HN 0.513 8.727 8.230 -0.027 0.000 0.540 575 S N 6.617 122.297 115.700 -0.034 0.000 2.679 575 S HA 0.093 nan 4.470 nan 0.000 0.258 575 S C 1.119 175.705 174.600 -0.022 0.000 1.068 575 S CA 1.055 59.240 58.200 -0.026 0.000 1.115 575 S CB 1.357 64.537 63.200 -0.033 0.000 1.078 575 S HN 0.432 8.686 8.310 -0.046 0.029 0.603 576 D N 3.804 124.184 120.400 -0.033 0.000 2.370 576 D HA -0.350 nan 4.640 nan 0.000 0.190 576 D C -0.426 175.865 176.300 -0.015 0.000 1.019 576 D CA 2.971 56.951 54.000 -0.034 0.000 0.869 576 D CB -0.047 40.720 40.800 -0.056 0.000 0.944 576 D HN 0.361 8.703 8.370 -0.046 0.000 0.456 577 A N -3.310 119.515 122.820 0.009 0.000 2.462 577 A HA 0.222 nan 4.320 nan 0.000 0.261 577 A C 1.176 178.807 177.584 0.078 0.000 1.323 577 A CA -0.517 51.548 52.037 0.046 0.000 0.913 577 A CB -0.320 18.743 19.000 0.105 0.000 1.028 577 A HN -0.191 7.946 8.150 0.006 0.017 0.511 578 V N -2.908 117.029 119.914 0.037 0.000 2.370 578 V HA -0.540 nan 4.120 nan 0.000 0.252 578 V C 1.935 178.101 176.094 0.120 0.000 1.068 578 V CA 3.409 65.731 62.300 0.038 0.000 1.061 578 V CB -1.340 30.437 31.823 -0.077 0.000 0.656 578 V HN -0.204 7.907 8.190 0.008 0.083 0.455 579 S N 2.093 117.829 115.700 0.060 0.000 2.374 579 S HA -0.343 nan 4.470 nan 0.000 0.227 579 S C 2.095 176.932 174.600 0.394 0.000 1.037 579 S CA 3.899 62.166 58.200 0.111 0.000 1.024 579 S CB -0.051 63.044 63.200 -0.176 0.000 0.861 579 S HN -0.457 7.815 8.310 -0.020 0.027 0.456 580 Y N -1.329 119.176 120.300 0.342 0.000 2.558 580 Y HA 0.160 nan 4.550 nan 0.000 0.273 580 Y C 1.551 177.753 175.900 0.504 0.000 1.100 580 Y CA 0.186 58.533 58.100 0.412 0.000 1.276 580 Y CB -0.010 38.647 38.460 0.328 0.000 1.196 580 Y HN -0.720 7.677 8.280 0.228 0.020 0.527 581 C N -3.815 115.839 119.300 0.590 0.000 2.504 581 C HA 0.097 nan 4.460 nan 0.000 0.279 581 C C 0.319 175.555 174.990 0.410 0.000 1.358 581 C CA 1.891 61.204 59.018 0.492 0.000 1.747 581 C CB -0.094 27.867 27.740 0.369 0.000 2.037 581 C HN -0.325 8.192 8.230 0.478 0.000 0.503 582 G N -1.171 107.858 108.800 0.381 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 -2.393 172.589 174.900 0.135 0.000 1.345 582 G CA -0.593 44.703 45.100 0.326 0.000 0.877 582 G HN -0.367 8.005 8.290 0.351 0.129 0.549 583 A N -0.236 122.629 122.820 0.074 0.000 2.380 583 A HA 0.305 nan 4.320 nan 0.000 0.315 583 A C -0.943 176.641 177.584 -0.001 0.000 1.101 583 A CA -1.578 50.465 52.037 0.011 0.000 0.771 583 A CB 2.604 21.587 19.000 -0.028 0.000 1.287 583 A HN 0.219 8.436 8.150 0.112 0.000 0.436 584 R N 2.099 122.583 120.500 -0.026 0.000 2.484 584 R HA -0.288 nan 4.340 nan 0.000 0.293 584 R C -0.166 176.113 176.300 -0.034 0.000 1.023 584 R CA 0.959 57.029 56.100 -0.051 0.000 1.037 584 R CB -0.244 30.026 30.300 -0.049 0.000 0.951 584 R HN 0.322 8.578 8.270 -0.024 0.000 0.418 585 D N 3.962 124.338 120.400 -0.039 0.000 2.701 585 D HA -0.291 nan 4.640 nan 0.000 0.235 585 D C -1.632 174.669 176.300 0.002 0.000 1.155 585 D CA 1.556 55.552 54.000 -0.007 0.000 0.649 585 D CB -0.451 40.356 40.800 0.011 0.000 1.050 585 D HN 0.242 8.569 8.370 -0.071 0.000 0.425 586 D N -1.932 118.470 120.400 0.004 0.000 2.570 586 D HA 0.241 nan 4.640 nan 0.000 0.244 586 D C -1.773 174.547 176.300 0.034 0.000 1.178 586 D CA -1.186 52.820 54.000 0.010 0.000 0.881 586 D CB 2.380 43.175 40.800 -0.008 0.000 1.453 586 D HN -0.785 7.578 8.370 0.002 0.008 0.447 587 R N 2.879 123.399 120.500 0.034 0.000 2.582 587 R HA 0.012 nan 4.340 nan 0.000 0.271 587 R C -0.776 175.573 176.300 0.082 0.000 1.078 587 R CA -0.191 55.949 56.100 0.067 0.000 1.127 587 R CB 1.094 31.422 30.300 0.047 0.000 1.038 587 R HN 0.391 8.672 8.270 0.018 0.000 0.500 588 Y N 3.886 124.196 120.300 0.017 0.000 2.632 588 Y HA -0.066 nan 4.550 nan 0.000 0.329 588 Y C -1.717 174.179 175.900 -0.006 0.000 1.174 588 Y CA -1.572 56.538 58.100 0.016 0.000 1.469 588 Y CB 1.003 39.471 38.460 0.013 0.000 1.242 588 Y HN 0.243 8.674 8.280 0.251 0.000 0.540 589 P HA -0.082 nan 4.420 nan 0.000 0.239 589 P C -1.992 175.182 177.300 -0.211 0.000 1.184 589 P CA 0.772 63.703 63.100 -0.281 0.000 0.760 589 P CB 0.241 31.774 31.700 -0.280 0.000 0.884 590 D N -3.553 116.770 120.400 -0.128 0.000 2.505 590 D HA 0.095 nan 4.640 nan 0.000 0.249 590 D C -0.903 175.455 176.300 0.097 0.000 1.082 590 D CA -1.642 52.366 54.000 0.013 0.000 0.839 590 D CB 2.319 43.182 40.800 0.106 0.000 1.317 590 D HN -0.942 7.338 8.370 -0.036 0.068 0.497 591 K N 3.986 124.370 120.400 -0.025 0.000 2.097 591 K HA -0.218 nan 4.320 nan 0.000 0.205 591 K C 0.995 177.552 176.600 -0.071 0.000 1.050 591 K CA 1.177 57.435 56.287 -0.048 0.000 0.938 591 K CB 0.505 32.947 32.500 -0.097 0.000 0.718 591 K HN 0.273 8.374 8.250 -0.081 0.101 0.442 592 K N -0.909 119.417 120.400 -0.123 0.000 2.380 592 K HA -0.182 nan 4.320 nan 0.000 0.267 592 K C -0.351 176.203 176.600 -0.077 0.000 0.990 592 K CA -0.025 56.131 56.287 -0.218 0.000 0.946 592 K CB 0.323 32.587 32.500 -0.393 0.000 0.937 592 K HN -0.608 7.858 8.250 -0.117 -0.287 0.491 593 A N 1.114 123.904 122.820 -0.050 0.000 2.483 593 A HA 0.110 nan 4.320 nan 0.000 0.238 593 A C 0.362 177.977 177.584 0.051 0.000 1.070 593 A CA 0.295 52.344 52.037 0.019 0.000 0.770 593 A CB 0.456 19.513 19.000 0.095 0.000 1.008 593 A HN 0.211 8.298 8.150 -0.106 0.000 0.497 594 M N 2.624 122.193 119.600 -0.051 0.000 2.246 594 M HA -0.312 nan 4.480 nan 0.000 0.350 594 M C 0.809 177.150 176.300 0.069 0.000 1.406 594 M CA 2.179 57.353 55.300 -0.209 0.000 1.089 594 M CB -0.035 32.176 32.600 -0.650 0.000 1.782 594 M HN -0.214 8.270 8.290 -0.059 -0.230 0.457 595 G N 0.991 109.909 108.800 0.197 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 -0.719 174.294 174.900 0.189 0.000 0.986 595 G CA -0.427 44.912 45.100 0.398 0.000 0.643 595 G HN 0.293 8.676 8.290 0.154 0.000 0.522 596 F N 3.324 123.285 119.950 0.019 0.000 2.602 596 F HA -0.034 nan 4.527 nan 0.000 0.367 596 F C -2.195 173.425 175.800 -0.300 0.000 1.126 596 F CA -0.961 56.950 58.000 -0.147 0.000 1.321 596 F CB 1.124 40.041 39.000 -0.139 0.000 1.094 596 F HN -0.515 7.911 8.300 0.322 0.067 0.594 597 P HA -0.049 nan 4.420 nan 0.000 0.245 597 P C 0.023 176.642 177.300 -1.135 0.000 1.212 597 P CA 0.984 62.933 63.100 -1.918 0.000 0.774 597 P CB -0.070 30.581 31.700 -1.749 0.000 0.999 598 F N -0.806 118.769 119.950 -0.625 0.000 2.407 598 F HA -0.340 nan 4.527 nan 0.000 0.299 598 F C 0.523 176.235 175.800 -0.148 0.000 1.097 598 F CA 2.875 60.592 58.000 -0.471 0.000 1.422 598 F CB -0.929 37.744 39.000 -0.545 0.000 1.067 598 F HN -0.045 7.635 8.300 -0.895 0.083 0.539 599 D N -2.842 117.632 120.400 0.123 0.000 2.178 599 D HA -0.318 nan 4.640 nan 0.000 0.201 599 D C 0.368 176.761 176.300 0.154 0.000 0.980 599 D CA 2.177 56.297 54.000 0.199 0.000 0.842 599 D CB -0.454 40.489 40.800 0.237 0.000 0.948 599 D HN 0.024 8.387 8.370 0.070 0.049 0.472 600 R N -1.587 119.007 120.500 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 0.029 0.000 1.048 600 R CA -1.210 54.917 56.100 0.045 0.000 1.086 600 R CB 1.504 31.706 30.300 -0.164 0.000 1.166 600 R HN -0.897 7.531 8.270 0.263 0.000 0.526 601 K N 0.891 121.297 120.400 0.010 0.000 2.436 601 K HA -0.110 nan 4.320 nan 0.000 0.275 601 K C -0.637 175.977 176.600 0.023 0.000 0.999 601 K CA 0.515 56.810 56.287 0.014 0.000 0.980 601 K CB 0.400 32.905 32.500 0.008 0.000 0.919 601 K HN 0.267 8.514 8.250 -0.004 0.000 0.484 602 I N 5.401 125.978 120.570 0.011 0.000 2.362 602 I HA -0.039 nan 4.170 nan 0.000 0.289 602 I C -0.492 175.665 176.117 0.067 0.000 0.994 602 I CA -0.551 60.768 61.300 0.031 0.000 1.158 602 I CB 1.051 38.997 38.000 -0.090 0.000 1.315 602 I HN 0.126 8.340 8.210 0.005 0.000 0.451 603 E N 6.133 126.396 120.200 0.105 0.000 2.208 603 E HA -0.141 nan 4.350 nan 0.000 0.193 603 E C -0.138 176.512 176.600 0.085 0.000 0.988 603 E CA 0.905 57.355 56.400 0.082 0.000 0.828 603 E CB -0.061 29.686 29.700 0.078 0.000 0.763 603 E HN 0.418 8.856 8.360 0.130 0.000 0.478 604 A N -1.985 120.911 122.820 0.127 0.000 2.536 604 A HA -0.136 nan 4.320 nan 0.000 0.234 604 A C 0.554 178.184 177.584 0.076 0.000 1.076 604 A CA 0.900 53.008 52.037 0.119 0.000 0.769 604 A CB 0.392 19.506 19.000 0.189 0.000 1.020 604 A HN -0.371 7.886 8.150 0.179 0.000 0.508 605 R N -0.906 119.632 120.500 0.063 0.000 2.057 605 R HA -0.013 nan 4.340 nan 0.000 0.224 605 R C 0.861 177.183 176.300 0.036 0.000 1.136 605 R CA 0.877 57.002 56.100 0.040 0.000 0.968 605 R CB 0.222 30.541 30.300 0.031 0.000 0.863 605 R HN -0.055 8.564 8.270 0.068 -0.309 0.433 606 T N -2.723 111.860 114.554 0.049 0.000 2.895 606 T HA 0.232 nan 4.350 nan 0.000 0.283 606 T C 0.442 175.196 174.700 0.090 0.000 1.014 606 T CA -2.308 59.822 62.100 0.050 0.000 1.037 606 T CB 1.818 70.710 68.868 0.039 0.000 1.006 606 T HN -0.810 7.463 8.240 0.056 0.000 0.468 607 A N 6.667 129.544 122.820 0.095 0.000 1.971 607 A HA -0.360 nan 4.320 nan 0.000 0.222 607 A C 1.427 179.132 177.584 0.202 0.000 1.182 607 A CA 3.249 55.375 52.037 0.148 0.000 0.649 607 A CB -0.363 18.734 19.000 0.161 0.000 0.818 607 A HN 0.885 9.074 8.150 0.065 0.000 0.458 608 A N -2.596 120.316 122.820 0.154 0.000 1.933 608 A HA -0.279 nan 4.320 nan 0.000 0.218 608 A C 2.547 180.215 177.584 0.141 0.000 1.175 608 A CA 2.685 54.810 52.037 0.146 0.000 0.628 608 A CB -0.626 18.431 19.000 0.095 0.000 0.814 608 A HN -0.456 7.719 8.150 0.116 0.045 0.444 609 E N -1.673 118.604 120.200 0.128 0.000 2.153 609 E HA -0.329 nan 4.350 nan 0.000 0.194 609 E C 1.168 177.835 176.600 0.112 0.000 0.988 609 E CA 2.002 58.462 56.400 0.100 0.000 0.811 609 E CB -0.146 29.608 29.700 0.089 0.000 0.746 609 E HN -0.474 7.835 8.360 0.125 0.126 0.466 610 F N -2.706 117.267 119.950 0.039 0.000 2.186 610 F HA -0.226 nan 4.527 nan 0.000 0.299 610 F C -0.306 175.515 175.800 0.035 0.000 1.090 610 F CA 1.487 59.501 58.000 0.023 0.000 1.307 610 F CB 0.629 39.626 39.000 -0.006 0.000 1.019 610 F HN -0.625 7.705 8.300 0.313 0.157 0.489 611 L N -1.005 120.300 121.223 0.137 0.000 2.525 611 L HA -0.127 nan 4.340 nan 0.000 0.278 611 L C 0.387 177.221 176.870 -0.059 0.000 1.218 611 L CA 0.850 55.751 54.840 0.103 0.000 0.878 611 L CB -0.150 42.003 42.059 0.156 0.000 1.127 611 L HN -0.708 7.498 8.230 0.215 0.153 0.492 612 T N -0.353 114.159 114.554 -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 -0.023 0.000 0.989 612 T CA -3.105 58.950 62.100 -0.074 0.000 0.968 612 T CB 0.476 69.294 68.868 -0.084 0.000 1.135 612 T HN -0.518 7.714 8.240 -0.013 0.000 0.562 613 P HA -0.031 nan 4.420 nan 0.000 0.223 613 P C -0.750 176.550 177.300 0.001 0.000 1.151 613 P CA 1.936 65.033 63.100 -0.006 0.000 0.787 613 P CB 0.137 31.833 31.700 -0.006 0.000 0.788 614 N N -4.042 114.667 118.700 0.015 0.000 2.327 614 N HA 0.016 nan 4.740 nan 0.000 0.231 614 N C -1.592 173.889 175.510 -0.047 0.000 1.130 614 N CA -0.822 52.238 53.050 0.018 0.000 0.845 614 N CB -0.277 38.267 38.487 0.096 0.000 1.073 614 N HN -0.459 7.891 8.380 0.018 0.041 0.496 615 M N -1.143 118.413 119.600 -0.074 0.000 2.619 615 M HA 0.588 nan 4.480 nan 0.000 0.297 615 M C -1.413 174.767 176.300 -0.199 0.000 1.229 615 M CA -0.417 54.764 55.300 -0.199 0.000 0.860 615 M CB 5.266 37.874 32.600 0.013 0.000 1.741 615 M HN -0.693 7.480 8.290 -0.041 0.093 0.462 616 G N -1.023 107.549 108.800 -0.379 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 -3.574 171.246 174.900 -0.134 0.000 1.436 616 G CA 0.128 45.127 45.100 -0.167 0.000 0.928 616 G HN 0.469 8.278 8.290 -0.803 0.000 0.520 617 L N 0.173 121.426 121.223 0.050 0.000 2.381 617 L HA 0.755 nan 4.340 nan 0.000 0.274 617 L C -0.878 176.053 176.870 0.103 0.000 0.988 617 L CA -0.616 54.314 54.840 0.149 0.000 0.824 617 L CB 3.024 45.231 42.059 0.246 0.000 1.263 617 L HN 0.053 8.317 8.230 0.056 0.000 0.410 618 T N 5.750 120.368 114.554 0.108 0.000 2.824 618 T HA 0.368 nan 4.350 nan 0.000 0.282 618 T C -1.981 172.782 174.700 0.106 0.000 0.993 618 T CA -1.188 60.965 62.100 0.088 0.000 0.967 618 T CB 2.135 71.050 68.868 0.077 0.000 0.960 618 T HN 0.744 8.951 8.240 0.133 0.113 0.441 619 D N 4.550 125.003 120.400 0.088 0.000 2.249 619 D HA 0.650 nan 4.640 nan 0.000 0.246 619 D C -1.026 175.327 176.300 0.089 0.000 1.114 619 D CA -0.928 53.128 54.000 0.093 0.000 0.854 619 D CB 0.494 41.335 40.800 0.068 0.000 1.132 619 D HN 0.057 8.470 8.370 0.072 0.000 0.461 620 I N -4.502 116.135 120.570 0.111 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 0.126 0.000 1.095 620 I CA -2.568 58.782 61.300 0.085 0.000 1.000 620 I CB 3.831 41.856 38.000 0.042 0.000 1.229 620 I HN 0.396 8.694 8.210 0.147 0.000 0.454 621 K N -0.630 119.824 120.400 0.090 0.000 2.259 621 K HA 0.764 nan 4.320 nan 0.000 0.249 621 K C -1.578 175.080 176.600 0.097 0.000 0.942 621 K CA -2.226 54.137 56.287 0.126 0.000 0.816 621 K CB 3.058 35.603 32.500 0.075 0.000 1.155 621 K HN 0.266 8.542 8.250 0.042 0.000 0.428 622 I N 2.704 123.375 120.570 0.167 0.000 2.389 622 I HA 0.527 nan 4.170 nan 0.000 0.288 622 I C -2.041 174.144 176.117 0.112 0.000 0.999 622 I CA -0.984 60.367 61.300 0.086 0.000 1.129 622 I CB 1.942 39.964 38.000 0.035 0.000 1.288 622 I HN 0.701 9.080 8.210 0.281 0.000 0.444 623 K N 5.126 125.564 120.400 0.063 0.000 2.345 623 K HA 0.611 nan 4.320 nan 0.000 0.255 623 K C -1.775 174.875 176.600 0.083 0.000 0.934 623 K CA -2.343 53.974 56.287 0.050 0.000 0.801 623 K CB 2.770 35.241 32.500 -0.048 0.000 1.137 623 K HN 0.570 8.841 8.250 0.034 0.000 0.424 624 F N 4.899 124.850 119.950 0.000 0.000 2.375 624 F HA 0.344 nan 4.527 nan 0.000 0.333 624 F C -1.650 174.198 175.800 0.079 0.000 1.104 624 F CA -0.975 57.049 58.000 0.040 0.000 1.149 624 F CB 2.669 41.690 39.000 0.035 0.000 1.190 624 F HN 0.544 8.825 8.300 0.255 0.171 0.533 625 H N 7.119 125.547 119.070 -1.071 0.000 2.481 625 H HA 0.309 nan 4.556 nan 0.000 0.333 625 H C -1.224 173.671 175.328 -0.722 0.000 1.066 625 H CA -1.695 53.990 56.048 -0.604 0.000 1.209 625 H CB 3.245 32.743 29.762 -0.440 0.000 1.445 625 H HN 0.332 7.505 8.280 -1.845 0.000 0.488 626 G N 0.000 108.526 108.800 -0.457 0.000 5.446 626 G HA2 0.000 nan 3.960 nan 0.000 0.244 626 G HA3 0.000 nan 3.960 nan 0.000 0.244 626 G CA 0.000 45.010 45.100 -0.150 0.000 0.502 626 G HN 0.000 8.007 8.290 -0.471 0.000 0.925