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 2wdx_1_B DATA FIRST_RESID 26 DATA SEQUENCE CLPPAGPVKV TPDDPRYLNL KLRGANSRFN GEPDYIHLVG STQQVADAVE DATA SEQUENCE ETVRTGKRVA VRSGGHCFED FVDNPDVKVI IDMSLLTEIA YDPSMNAFLI DATA SEQUENCE EPGNTLSEVY EKLYLGWNVT IPGGVCGGVG VGGHICGGGY GPLSRQFGSV DATA SEQUENCE VDYLYAVEVV VVNKQGKARV IVATRERDDP HHDLWWAHTG GGGGNFGVVT DATA SEQUENCE KYWMRVPEDV GRNPERLLPK PPATLLTSTV TFDWAGMTEA AFSRLLRNHG DATA SEQUENCE EWYERNSGPD SPYTGLWSQL MIGNEVPGMG ESGFMMPIQV DATRPDARRL DATA SEQUENCE LDAHIEAVID GVPPAEVPEP IEQRWLASTP GRGGRGPASK TKAGYLRKRL DATA SEQUENCE TDRQIQAVYE NMTHMDGIDY GAVWLIGYGG KVNTVDPAAT ALPQRDAILK DATA SEQUENCE VNYITGWANP GNEAKHLTWV RKLYADVYAE TGGVPVPNDV SDGAYINYPD DATA SEQUENCE SDLADPGLNT SGVPWHDLYY KGNHPRLRKV KAAYDPRNHF HHALSIRP 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 26 C HA 0.000 nan 4.460 nan 0.000 0.325 26 C C 0.000 175.007 174.990 0.029 0.000 1.270 26 C CA 0.000 59.038 59.018 0.032 0.000 1.963 26 C CB 0.000 27.761 27.740 0.035 0.000 2.134 27 L N 5.383 126.624 121.223 0.030 0.000 2.360 27 L HA 0.570 4.912 4.340 0.003 0.000 0.271 27 L C -1.453 175.433 176.870 0.027 0.000 1.057 27 L CA -1.128 53.728 54.840 0.027 0.000 0.803 27 L CB 1.101 43.175 42.059 0.026 0.000 1.207 27 L HN 0.587 nan 8.230 nan 0.000 0.445 28 P HA 0.193 nan 4.420 nan 0.000 0.270 28 P C -2.511 174.805 177.300 0.026 0.000 1.223 28 P CA -0.868 62.247 63.100 0.025 0.000 0.785 28 P CB -0.470 31.244 31.700 0.023 0.000 0.923 29 P HA 0.120 nan 4.420 nan 0.000 0.269 29 P C -0.503 176.814 177.300 0.029 0.000 1.215 29 P CA -0.274 62.843 63.100 0.028 0.000 0.780 29 P CB 0.307 32.023 31.700 0.027 0.000 0.898 30 A N 2.713 125.552 122.820 0.031 0.000 2.515 30 A HA 0.410 4.731 4.320 0.003 0.000 0.263 30 A C 1.235 178.843 177.584 0.040 0.000 1.096 30 A CA 0.334 52.391 52.037 0.033 0.000 0.769 30 A CB -0.912 18.108 19.000 0.033 0.000 1.040 30 A HN 0.701 nan 8.150 nan 0.000 0.505 31 G N 2.991 111.815 108.800 0.040 0.000 2.661 31 G HA2 0.406 4.368 3.960 0.003 0.000 0.272 31 G HA3 0.406 4.368 3.960 0.003 0.000 0.272 31 G C -2.232 172.708 174.900 0.066 0.000 1.296 31 G CA -0.657 44.471 45.100 0.047 0.000 0.998 31 G HN 0.634 nan 8.290 nan 0.000 0.553 32 P HA 0.400 nan 4.420 nan 0.000 0.284 32 P C -0.958 176.407 177.300 0.109 0.000 1.258 32 P CA -0.387 62.803 63.100 0.150 0.000 0.824 32 P CB 1.967 33.809 31.700 0.237 0.000 1.038 33 V N 1.805 121.789 119.914 0.116 0.000 2.569 33 V HA 0.407 4.529 4.120 0.003 0.000 0.301 33 V C -0.659 175.379 176.094 -0.093 0.000 1.044 33 V CA -0.965 61.340 62.300 0.008 0.000 0.874 33 V CB 1.635 33.474 31.823 0.026 0.000 1.002 33 V HN 0.515 nan 8.190 nan 0.000 0.424 34 K N 5.544 125.789 120.400 -0.258 0.000 2.273 34 K HA 0.590 4.912 4.320 0.003 0.000 0.287 34 K C -1.077 175.460 176.600 -0.105 0.000 1.089 34 K CA -0.414 55.661 56.287 -0.353 0.000 0.909 34 K CB 1.170 33.317 32.500 -0.588 0.000 1.123 34 K HN 0.664 nan 8.250 nan 0.000 0.473 35 V N 5.492 125.443 119.914 0.063 0.000 2.334 35 V HA 0.148 4.270 4.120 0.003 0.000 0.267 35 V C 0.317 176.565 176.094 0.257 0.000 1.040 35 V CA -0.672 61.713 62.300 0.142 0.000 0.866 35 V CB 0.575 32.497 31.823 0.165 0.000 1.019 35 V HN 0.957 nan 8.190 nan 0.000 0.468 36 T N 3.167 117.798 114.554 0.129 0.000 2.902 36 T HA 0.406 4.758 4.350 0.003 0.000 0.280 36 T C -1.929 172.664 174.700 -0.179 0.000 0.992 36 T CA -2.154 59.975 62.100 0.049 0.000 1.015 36 T CB 1.689 70.539 68.868 -0.029 0.000 1.044 36 T HN 0.338 nan 8.240 nan 0.000 0.520 37 P HA -0.035 nan 4.420 nan 0.000 0.228 37 P C 0.992 178.024 177.300 -0.446 0.000 1.151 37 P CA 0.705 63.121 63.100 -1.140 0.000 0.770 37 P CB -0.030 31.137 31.700 -0.889 0.000 0.786 38 D N -1.922 118.346 120.400 -0.220 0.000 2.289 38 D HA -0.071 4.570 4.640 0.003 0.000 0.207 38 D C 0.589 176.868 176.300 -0.035 0.000 0.966 38 D CA 0.336 54.276 54.000 -0.100 0.000 0.868 38 D CB -0.962 39.794 40.800 -0.073 0.000 0.943 38 D HN 0.109 nan 8.370 nan 0.000 0.514 39 D N 1.863 122.258 120.400 -0.008 0.000 2.443 39 D HA -0.019 4.623 4.640 0.003 0.000 0.239 39 D C -1.135 175.209 176.300 0.074 0.000 1.136 39 D CA -1.191 52.834 54.000 0.041 0.000 0.879 39 D CB 2.014 42.856 40.800 0.071 0.000 1.195 39 D HN -0.070 nan 8.370 nan 0.000 0.443 40 P HA -0.134 nan 4.420 nan 0.000 0.217 40 P C 0.935 178.282 177.300 0.078 0.000 1.148 40 P CA 1.084 64.218 63.100 0.057 0.000 0.828 40 P CB 0.222 31.943 31.700 0.036 0.000 0.783 41 R N -2.278 118.274 120.500 0.086 0.000 2.276 41 R HA -0.048 4.294 4.340 0.003 0.000 0.203 41 R C 2.339 178.699 176.300 0.101 0.000 1.017 41 R CA 0.213 56.359 56.100 0.077 0.000 1.010 41 R CB -0.758 29.579 30.300 0.062 0.000 0.900 41 R HN 0.191 nan 8.270 nan 0.000 0.469 42 Y N 1.524 121.836 120.300 0.020 0.000 2.053 42 Y HA -0.280 4.271 4.550 0.002 0.000 0.277 42 Y C 1.799 177.712 175.900 0.021 0.000 1.159 42 Y CA 1.732 59.847 58.100 0.026 0.000 1.125 42 Y CB -0.218 38.258 38.460 0.026 0.000 0.969 42 Y HN -0.040 nan 8.280 nan 0.000 0.492 43 L N -0.067 121.207 121.223 0.085 0.000 2.093 43 L HA -0.249 4.092 4.340 0.003 0.000 0.208 43 L C 2.105 178.933 176.870 -0.070 0.000 1.085 43 L CA 1.319 56.151 54.840 -0.013 0.000 0.755 43 L CB -0.647 41.458 42.059 0.077 0.000 0.904 43 L HN 0.288 nan 8.230 nan 0.000 0.435 44 N N -0.096 118.583 118.700 -0.034 0.000 2.084 44 N HA -0.172 4.570 4.740 0.003 0.000 0.190 44 N C 1.696 177.165 175.510 -0.069 0.000 1.030 44 N CA 1.123 54.150 53.050 -0.038 0.000 0.849 44 N CB -0.365 38.114 38.487 -0.014 0.000 1.012 44 N HN 0.073 nan 8.380 nan 0.000 0.423 45 L N 1.496 122.664 121.223 -0.091 0.000 2.017 45 L HA -0.056 4.285 4.340 0.003 0.000 0.208 45 L C 2.139 178.906 176.870 -0.171 0.000 1.073 45 L CA 1.512 56.287 54.840 -0.108 0.000 0.745 45 L CB -0.934 41.070 42.059 -0.091 0.000 0.894 45 L HN 0.199 nan 8.230 nan 0.000 0.432 46 K N -0.618 119.597 120.400 -0.308 0.000 2.209 46 K HA -0.107 4.215 4.320 0.003 0.000 0.204 46 K C 1.564 178.065 176.600 -0.166 0.000 1.048 46 K CA 1.002 57.092 56.287 -0.329 0.000 0.940 46 K CB 0.077 32.237 32.500 -0.566 0.000 0.729 46 K HN 0.298 nan 8.250 nan 0.000 0.451 47 L N -0.328 120.819 121.223 -0.126 0.000 2.693 47 L HA 0.189 4.531 4.340 0.003 0.000 0.235 47 L C 1.927 178.753 176.870 -0.072 0.000 1.127 47 L CA -0.193 54.598 54.840 -0.082 0.000 0.914 47 L CB 0.105 42.125 42.059 -0.066 0.000 1.193 47 L HN 0.045 nan 8.230 nan 0.000 0.502 48 R N 1.249 121.706 120.500 -0.071 0.000 2.241 48 R HA -0.029 4.313 4.340 0.003 0.000 0.224 48 R C 1.164 177.426 176.300 -0.063 0.000 1.101 48 R CA 0.523 56.589 56.100 -0.056 0.000 0.995 48 R CB -0.073 30.201 30.300 -0.043 0.000 0.870 48 R HN 0.312 nan 8.270 nan 0.000 0.463 49 G N -0.673 108.089 108.800 -0.063 0.000 2.414 49 G HA2 0.148 4.110 3.960 0.003 0.000 0.236 49 G HA3 0.148 4.110 3.960 0.003 0.000 0.236 49 G C 0.750 175.570 174.900 -0.132 0.000 1.293 49 G CA 0.141 45.198 45.100 -0.072 0.000 0.869 49 G HN 0.362 nan 8.290 nan 0.000 0.556 50 A N 2.284 124.963 122.820 -0.234 0.000 1.929 50 A HA -0.010 4.311 4.320 0.003 0.000 0.216 50 A C 1.451 178.879 177.584 -0.260 0.000 1.176 50 A CA 0.951 52.773 52.037 -0.358 0.000 0.628 50 A CB -0.294 18.195 19.000 -0.851 0.000 0.816 50 A HN 0.715 nan 8.150 nan 0.000 0.444 51 N N 0.243 118.834 118.700 -0.182 0.000 2.420 51 N HA 0.214 4.955 4.740 0.003 0.000 0.249 51 N C 0.843 176.192 175.510 -0.269 0.000 1.033 51 N CA 0.395 53.304 53.050 -0.236 0.000 0.944 51 N CB 0.633 39.040 38.487 -0.132 0.000 1.113 51 N HN 0.253 nan 8.380 nan 0.000 0.502 52 S N 3.314 118.810 115.700 -0.341 0.000 2.607 52 S HA 0.006 4.478 4.470 0.003 0.000 0.224 52 S C 1.596 175.992 174.600 -0.339 0.000 0.969 52 S CA -0.031 57.998 58.200 -0.285 0.000 0.927 52 S CB -0.004 63.040 63.200 -0.260 0.000 0.772 52 S HN 0.597 nan 8.310 nan 0.000 0.533 53 R N 0.094 120.250 120.500 -0.574 0.000 2.189 53 R HA 0.191 4.533 4.340 0.003 0.000 0.218 53 R C -0.726 175.258 176.300 -0.527 0.000 1.074 53 R CA 0.538 56.247 56.100 -0.651 0.000 0.991 53 R CB 0.015 29.671 30.300 -1.074 0.000 0.883 53 R HN 0.514 nan 8.270 nan 0.000 0.457 54 F N 0.153 120.063 119.950 -0.068 0.000 2.444 54 F HA 0.356 4.885 4.527 0.002 0.000 0.342 54 F C -0.321 175.451 175.800 -0.048 0.000 1.121 54 F CA -1.106 56.865 58.000 -0.049 0.000 0.997 54 F CB 1.638 40.598 39.000 -0.067 0.000 1.130 54 F HN -0.185 nan 8.300 nan 0.000 0.454 55 N N 0.644 119.432 118.700 0.148 0.000 2.229 55 N HA 0.777 5.518 4.740 0.003 0.000 0.298 55 N C -0.663 174.886 175.510 0.064 0.000 1.114 55 N CA -0.857 52.236 53.050 0.073 0.000 0.776 55 N CB 2.384 40.896 38.487 0.042 0.000 1.501 55 N HN 0.761 nan 8.380 nan 0.000 0.474 56 G N -0.290 108.532 108.800 0.037 0.000 2.733 56 G HA2 0.540 4.502 3.960 0.003 0.000 0.288 56 G HA3 0.540 4.502 3.960 0.003 0.000 0.288 56 G C -1.275 173.654 174.900 0.048 0.000 1.373 56 G CA -0.237 44.883 45.100 0.033 0.000 0.895 56 G HN 0.411 nan 8.290 nan 0.000 0.479 57 E N 1.018 121.258 120.200 0.066 0.000 3.666 57 E HA 0.342 4.693 4.350 0.003 0.000 0.230 57 E C -2.362 174.320 176.600 0.137 0.000 1.235 57 E CA -1.410 55.068 56.400 0.130 0.000 1.096 57 E CB 1.290 31.053 29.700 0.106 0.000 1.287 57 E HN 0.334 nan 8.360 nan 0.000 0.406 58 P HA 0.122 nan 4.420 nan 0.000 0.271 58 P C 0.102 177.496 177.300 0.155 0.000 1.218 58 P CA -0.178 62.970 63.100 0.079 0.000 0.780 58 P CB 1.173 32.878 31.700 0.009 0.000 0.901 59 D N 0.510 120.944 120.400 0.056 0.000 2.182 59 D HA -0.099 4.543 4.640 0.003 0.000 0.201 59 D C 0.593 177.059 176.300 0.278 0.000 0.986 59 D CA 2.024 56.098 54.000 0.123 0.000 0.847 59 D CB -0.260 40.614 40.800 0.123 0.000 0.942 59 D HN 0.613 nan 8.370 nan 0.000 0.467 60 Y N -2.650 117.744 120.300 0.156 0.000 2.662 60 Y HA 0.450 5.001 4.550 0.002 0.000 0.334 60 Y C -1.710 174.283 175.900 0.156 0.000 1.185 60 Y CA -1.378 56.830 58.100 0.180 0.000 1.074 60 Y CB 0.631 39.136 38.460 0.076 0.000 1.330 60 Y HN -0.311 nan 8.280 nan 0.000 0.458 61 I N 2.672 123.434 120.570 0.319 0.000 2.389 61 I HA 0.314 4.486 4.170 0.003 0.000 0.288 61 I C -1.041 175.252 176.117 0.293 0.000 0.999 61 I CA -0.570 60.845 61.300 0.191 0.000 1.129 61 I CB 1.622 39.663 38.000 0.070 0.000 1.288 61 I HN 0.836 nan 8.210 nan 0.000 0.444 62 H N 6.618 125.811 119.070 0.205 0.000 2.581 62 H HA 0.502 5.059 4.556 0.002 0.000 0.308 62 H C -0.916 174.485 175.328 0.123 0.000 1.040 62 H CA -0.681 55.498 56.048 0.218 0.000 1.231 62 H CB 1.085 31.012 29.762 0.275 0.000 1.396 62 H HN 0.496 nan 8.280 nan 0.000 0.467 63 L N 6.362 127.777 121.223 0.319 0.000 2.319 63 L HA 0.257 4.599 4.340 0.003 0.000 0.280 63 L C -0.338 176.658 176.870 0.210 0.000 1.099 63 L CA -0.695 54.265 54.840 0.200 0.000 0.828 63 L CB 1.004 43.138 42.059 0.126 0.000 1.150 63 L HN 0.412 nan 8.230 nan 0.000 0.442 64 V N -0.375 119.606 119.914 0.112 0.000 2.604 64 V HA 0.821 4.943 4.120 0.003 0.000 0.305 64 V C 0.342 176.461 176.094 0.043 0.000 1.043 64 V CA -0.242 62.095 62.300 0.061 0.000 0.888 64 V CB 1.532 33.349 31.823 -0.009 0.000 0.995 64 V HN 0.767 nan 8.190 nan 0.000 0.429 65 G N 2.105 110.928 108.800 0.038 0.000 3.274 65 G HA2 0.547 4.509 3.960 0.003 0.000 0.250 65 G HA3 0.547 4.509 3.960 0.003 0.000 0.250 65 G C 0.236 175.146 174.900 0.018 0.000 1.024 65 G CA 0.546 45.664 45.100 0.029 0.000 0.840 65 G HN 1.414 nan 8.290 nan 0.000 0.522 66 S N -2.177 113.530 115.700 0.011 0.000 2.588 66 S HA 0.445 4.916 4.470 0.003 0.000 0.269 66 S C 0.803 175.398 174.600 -0.007 0.000 1.157 66 S CA 0.268 58.470 58.200 0.003 0.000 0.824 66 S CB 1.273 64.481 63.200 0.013 0.000 1.126 66 S HN -0.129 nan 8.310 nan 0.000 0.464 67 T N 1.365 115.912 114.554 -0.012 0.000 2.665 67 T HA -0.176 4.176 4.350 0.003 0.000 0.268 67 T C 1.750 176.446 174.700 -0.007 0.000 1.035 67 T CA 2.288 64.378 62.100 -0.016 0.000 1.151 67 T CB -0.565 68.295 68.868 -0.014 0.000 0.862 67 T HN 0.657 nan 8.240 nan 0.000 0.438 68 Q N 1.159 120.961 119.800 0.003 0.000 2.096 68 Q HA -0.119 4.223 4.340 0.003 0.000 0.204 68 Q C 2.327 178.328 176.000 0.003 0.000 0.982 68 Q CA 1.679 57.487 55.803 0.008 0.000 0.850 68 Q CB -0.430 28.317 28.738 0.015 0.000 0.901 68 Q HN 0.610 nan 8.270 nan 0.000 0.422 69 Q N -1.025 118.776 119.800 0.001 0.000 2.077 69 Q HA -0.178 4.163 4.340 0.003 0.000 0.206 69 Q C 2.069 178.030 176.000 -0.065 0.000 0.989 69 Q CA 1.920 57.715 55.803 -0.014 0.000 0.853 69 Q CB -0.240 28.502 28.738 0.005 0.000 0.907 69 Q HN 0.272 nan 8.270 nan 0.000 0.418 70 V N 0.994 120.879 119.914 -0.049 0.000 2.282 70 V HA -0.341 3.780 4.120 0.003 0.000 0.249 70 V C 2.283 178.364 176.094 -0.022 0.000 1.057 70 V CA 1.989 64.261 62.300 -0.047 0.000 1.032 70 V CB -1.106 30.703 31.823 -0.023 0.000 0.645 70 V HN 0.459 nan 8.190 nan 0.000 0.447 71 A N -0.172 122.646 122.820 -0.004 0.000 1.902 71 A HA -0.243 4.078 4.320 0.003 0.000 0.217 71 A C 1.983 179.574 177.584 0.011 0.000 1.181 71 A CA 1.989 54.035 52.037 0.016 0.000 0.623 71 A CB -0.620 18.390 19.000 0.016 0.000 0.818 71 A HN 0.565 nan 8.150 nan 0.000 0.443 72 D N 0.166 120.567 120.400 0.002 0.000 2.144 72 D HA -0.041 4.601 4.640 0.003 0.000 0.199 72 D C 2.172 178.484 176.300 0.020 0.000 0.984 72 D CA 1.488 55.498 54.000 0.018 0.000 0.834 72 D CB -0.432 40.387 40.800 0.031 0.000 0.955 72 D HN 0.439 nan 8.370 nan 0.000 0.465 73 A N 0.537 123.320 122.820 -0.062 0.000 1.930 73 A HA -0.081 4.240 4.320 0.003 0.000 0.217 73 A C 2.500 180.106 177.584 0.037 0.000 1.175 73 A CA 0.866 52.840 52.037 -0.105 0.000 0.627 73 A CB -0.546 18.172 19.000 -0.471 0.000 0.815 73 A HN 0.131 nan 8.150 nan 0.000 0.443 74 V N -0.024 119.914 119.914 0.041 0.000 2.283 74 V HA -0.224 3.897 4.120 0.003 0.000 0.243 74 V C 2.372 178.470 176.094 0.007 0.000 1.039 74 V CA 2.103 64.448 62.300 0.076 0.000 1.016 74 V CB -0.765 31.143 31.823 0.142 0.000 0.650 74 V HN 0.615 nan 8.190 nan 0.000 0.449 75 E N -0.272 119.928 120.200 0.000 0.000 2.171 75 E HA -0.322 4.030 4.350 0.003 0.000 0.197 75 E C 2.150 178.755 176.600 0.009 0.000 0.997 75 E CA 1.643 58.030 56.400 -0.020 0.000 0.810 75 E CB -0.043 29.657 29.700 0.001 0.000 0.738 75 E HN 0.643 nan 8.360 nan 0.000 0.467 76 E N 0.242 120.480 120.200 0.062 0.000 2.152 76 E HA -0.123 4.229 4.350 0.003 0.000 0.192 76 E C 1.976 178.656 176.600 0.133 0.000 0.983 76 E CA 1.788 58.253 56.400 0.108 0.000 0.818 76 E CB -0.133 29.667 29.700 0.166 0.000 0.758 76 E HN 0.257 nan 8.360 nan 0.000 0.467 77 T N -2.295 112.345 114.554 0.143 0.000 2.951 77 T HA -0.020 4.331 4.350 0.003 0.000 0.268 77 T C 1.909 176.729 174.700 0.199 0.000 1.073 77 T CA 0.908 63.106 62.100 0.164 0.000 1.134 77 T CB -0.380 68.586 68.868 0.165 0.000 0.884 77 T HN 0.004 nan 8.240 nan 0.000 0.479 78 V N 1.809 121.768 119.914 0.075 0.000 2.270 78 V HA -0.096 4.026 4.120 0.003 0.000 0.245 78 V C 3.019 179.133 176.094 0.033 0.000 1.043 78 V CA 1.952 64.240 62.300 -0.021 0.000 1.014 78 V CB -0.711 30.976 31.823 -0.228 0.000 0.645 78 V HN 0.473 nan 8.190 nan 0.000 0.447 79 R N 0.545 121.063 120.500 0.030 0.000 2.091 79 R HA -0.194 4.148 4.340 0.003 0.000 0.238 79 R C 2.226 178.557 176.300 0.052 0.000 1.136 79 R CA 2.267 58.389 56.100 0.037 0.000 0.959 79 R CB -0.428 29.896 30.300 0.039 0.000 0.856 79 R HN 0.698 nan 8.270 nan 0.000 0.437 80 T N -4.012 110.587 114.554 0.075 0.000 3.057 80 T HA 0.190 4.541 4.350 0.003 0.000 0.254 80 T C 1.383 176.121 174.700 0.064 0.000 1.094 80 T CA 0.613 62.758 62.100 0.075 0.000 1.088 80 T CB 0.435 69.365 68.868 0.104 0.000 0.934 80 T HN 0.437 nan 8.240 nan 0.000 0.497 81 G N 1.698 110.541 108.800 0.072 0.000 2.168 81 G HA2 -0.293 3.669 3.960 0.003 0.000 0.263 81 G HA3 -0.293 3.669 3.960 0.003 0.000 0.263 81 G C -0.006 174.912 174.900 0.030 0.000 0.977 81 G CA 0.253 45.386 45.100 0.056 0.000 0.659 81 G HN 0.657 nan 8.290 nan 0.000 0.533 82 K N 0.552 120.971 120.400 0.032 0.000 2.416 82 K HA 0.295 4.617 4.320 0.003 0.000 0.283 82 K C 0.938 177.492 176.600 -0.076 0.000 1.037 82 K CA -0.443 55.836 56.287 -0.012 0.000 0.995 82 K CB 0.615 33.109 32.500 -0.009 0.000 0.938 82 K HN 0.383 nan 8.250 nan 0.000 0.475 83 R N 2.554 122.990 120.500 -0.106 0.000 2.489 83 R HA 0.103 4.445 4.340 0.003 0.000 0.287 83 R C -0.742 175.428 176.300 -0.217 0.000 1.053 83 R CA -0.178 55.808 56.100 -0.191 0.000 1.036 83 R CB 0.581 30.798 30.300 -0.140 0.000 0.966 83 R HN 0.379 nan 8.270 nan 0.000 0.432 84 V N 3.620 123.354 119.914 -0.300 0.000 2.715 84 V HA 0.824 4.946 4.120 0.003 0.000 0.310 84 V C -0.960 175.041 176.094 -0.155 0.000 1.054 84 V CA -0.246 61.934 62.300 -0.199 0.000 0.928 84 V CB 1.763 33.495 31.823 -0.152 0.000 1.007 84 V HN 1.009 nan 8.190 nan 0.000 0.437 85 A N 4.890 127.675 122.820 -0.059 0.000 2.475 85 A HA 0.839 5.161 4.320 0.003 0.000 0.301 85 A C -1.243 176.372 177.584 0.051 0.000 1.059 85 A CA -0.538 51.502 52.037 0.006 0.000 0.710 85 A CB 1.997 20.986 19.000 -0.018 0.000 1.288 85 A HN 0.832 nan 8.150 nan 0.000 0.408 86 V N 1.669 121.635 119.914 0.087 0.000 2.481 86 V HA 0.571 4.692 4.120 0.003 0.000 0.286 86 V C 0.440 176.568 176.094 0.056 0.000 1.042 86 V CA -0.508 61.838 62.300 0.076 0.000 0.928 86 V CB 1.417 33.288 31.823 0.081 0.000 0.986 86 V HN 0.874 nan 8.190 nan 0.000 0.462 87 R N 2.405 122.932 120.500 0.045 0.000 2.439 87 R HA 0.517 4.859 4.340 0.003 0.000 0.310 87 R C 0.111 176.438 176.300 0.046 0.000 0.955 87 R CA -0.195 55.929 56.100 0.041 0.000 0.853 87 R CB 1.843 32.157 30.300 0.023 0.000 1.171 87 R HN 0.874 nan 8.270 nan 0.000 0.449 88 S N 1.975 117.708 115.700 0.056 0.000 2.460 88 S HA 0.097 4.569 4.470 0.003 0.000 0.185 88 S C 1.436 176.069 174.600 0.056 0.000 0.908 88 S CA 0.482 58.716 58.200 0.056 0.000 0.894 88 S CB -0.072 63.170 63.200 0.071 0.000 0.855 88 S HN 0.804 nan 8.310 nan 0.000 0.574 89 G N -0.346 108.499 108.800 0.075 0.000 2.683 89 G HA2 0.385 4.347 3.960 0.003 0.000 0.213 89 G HA3 0.385 4.347 3.960 0.003 0.000 0.213 89 G C 0.973 175.964 174.900 0.152 0.000 1.142 89 G CA 0.512 45.675 45.100 0.105 0.000 0.793 89 G HN 1.008 nan 8.290 nan 0.000 0.534 90 G N -0.361 108.500 108.800 0.101 0.000 2.148 90 G HA2 -0.283 3.678 3.960 0.003 0.000 0.254 90 G HA3 -0.283 3.678 3.960 0.003 0.000 0.254 90 G C 0.784 175.687 174.900 0.005 0.000 0.981 90 G CA 0.536 45.660 45.100 0.040 0.000 0.670 90 G HN 0.578 nan 8.290 nan 0.000 0.528 91 H N -0.808 118.289 119.070 0.046 0.000 2.533 91 H HA 0.154 4.711 4.556 0.003 0.000 0.271 91 H C 1.699 177.116 175.328 0.148 0.000 1.000 91 H CA 0.366 56.471 56.048 0.094 0.000 1.149 91 H CB 0.021 29.847 29.762 0.106 0.000 1.375 91 H HN 0.476 nan 8.280 nan 0.000 0.582 92 C N 1.780 121.152 119.300 0.121 0.000 2.334 92 C HA -0.197 4.265 4.460 0.003 0.000 0.395 92 C C 1.780 176.859 174.990 0.148 0.000 1.507 92 C CA -0.164 58.863 59.018 0.016 0.000 1.494 92 C CB -1.477 26.162 27.740 -0.169 0.000 2.509 92 C HN 0.392 nan 8.230 nan 0.000 0.599 93 F N 2.223 122.078 119.950 -0.157 0.000 2.451 93 F HA 0.103 4.632 4.527 0.002 0.000 0.299 93 F C 1.712 177.417 175.800 -0.158 0.000 1.101 93 F CA 1.158 59.115 58.000 -0.072 0.000 1.436 93 F CB -0.339 38.623 39.000 -0.062 0.000 1.074 93 F HN 0.643 nan 8.300 nan 0.000 0.553 94 E N -0.346 119.552 120.200 -0.503 0.000 2.412 94 E HA 0.121 4.473 4.350 0.003 0.000 0.255 94 E C -0.039 175.645 176.600 -1.526 0.000 0.933 94 E CA -0.207 55.571 56.400 -1.036 0.000 0.823 94 E CB 0.837 29.666 29.700 -1.452 0.000 1.352 94 E HN -0.015 nan 8.360 nan 0.000 0.406 95 D N -0.013 119.594 120.400 -1.321 0.000 2.519 95 D HA 0.002 4.644 4.640 0.003 0.000 0.238 95 D C 0.708 176.853 176.300 -0.258 0.000 1.192 95 D CA 0.036 53.460 54.000 -0.959 0.000 0.835 95 D CB -0.419 40.053 40.800 -0.545 0.000 0.975 95 D HN 0.084 nan 8.370 nan 0.000 0.490 96 F N 0.159 119.842 119.950 -0.444 0.000 2.407 96 F HA -0.001 4.528 4.527 0.002 0.000 0.299 96 F C 2.041 177.721 175.800 -0.200 0.000 1.097 96 F CA 0.091 57.892 58.000 -0.332 0.000 1.422 96 F CB -0.266 38.422 39.000 -0.520 0.000 1.067 96 F HN 0.039 nan 8.300 nan 0.000 0.539 97 V N -1.815 118.095 119.914 -0.007 0.000 2.996 97 V HA 0.077 4.199 4.120 0.003 0.000 0.235 97 V C 0.072 176.145 176.094 -0.036 0.000 1.205 97 V CA 0.368 62.658 62.300 -0.018 0.000 1.225 97 V CB 0.142 31.957 31.823 -0.013 0.000 0.995 97 V HN -0.104 nan 8.190 nan 0.000 0.484 98 D N 3.597 123.967 120.400 -0.050 0.000 2.499 98 D HA 0.319 4.960 4.640 0.003 0.000 0.225 98 D C -0.557 175.745 176.300 0.003 0.000 1.124 98 D CA 0.197 54.194 54.000 -0.005 0.000 0.938 98 D CB 0.178 41.010 40.800 0.053 0.000 1.014 98 D HN 0.643 nan 8.370 nan 0.000 0.517 99 N N 0.302 119.001 118.700 -0.001 0.000 2.525 99 N HA 0.281 5.023 4.740 0.003 0.000 0.270 99 N C -2.649 172.873 175.510 0.020 0.000 1.321 99 N CA -1.511 51.551 53.050 0.020 0.000 0.797 99 N CB 2.271 40.762 38.487 0.006 0.000 1.529 99 N HN -0.279 nan 8.380 nan 0.000 0.491 100 P HA -0.035 nan 4.420 nan 0.000 0.223 100 P C 0.201 177.510 177.300 0.014 0.000 1.144 100 P CA 1.114 64.231 63.100 0.027 0.000 0.783 100 P CB 0.179 31.898 31.700 0.032 0.000 0.771 101 D N -1.353 119.050 120.400 0.006 0.000 2.305 101 D HA -0.002 4.639 4.640 0.003 0.000 0.206 101 D C 0.471 176.751 176.300 -0.032 0.000 0.974 101 D CA 0.437 54.434 54.000 -0.005 0.000 0.871 101 D CB -0.048 40.754 40.800 0.004 0.000 0.947 101 D HN 0.028 nan 8.370 nan 0.000 0.516 102 V N 2.478 122.366 119.914 -0.044 0.000 2.470 102 V HA 0.015 4.137 4.120 0.003 0.000 0.276 102 V C 1.343 177.397 176.094 -0.068 0.000 1.040 102 V CA 0.234 62.489 62.300 -0.075 0.000 1.008 102 V CB 1.455 33.235 31.823 -0.072 0.000 0.990 102 V HN -0.070 nan 8.190 nan 0.000 0.477 103 K N 3.392 123.735 120.400 -0.095 0.000 2.348 103 K HA 0.273 4.594 4.320 0.003 0.000 0.194 103 K C -0.117 176.360 176.600 -0.204 0.000 1.052 103 K CA 0.503 56.731 56.287 -0.099 0.000 1.004 103 K CB 1.115 33.572 32.500 -0.071 0.000 0.873 103 K HN 0.475 nan 8.250 nan 0.000 0.523 104 V N 2.581 122.353 119.914 -0.237 0.000 2.623 104 V HA 0.402 4.524 4.120 0.003 0.000 0.304 104 V C -0.362 175.631 176.094 -0.168 0.000 1.054 104 V CA -0.811 61.276 62.300 -0.356 0.000 0.882 104 V CB 2.440 33.996 31.823 -0.445 0.000 1.002 104 V HN -0.021 nan 8.190 nan 0.000 0.424 105 I N 5.244 125.746 120.570 -0.114 0.000 2.359 105 I HA 0.456 4.628 4.170 0.003 0.000 0.294 105 I C -0.374 175.764 176.117 0.035 0.000 0.987 105 I CA -0.445 60.837 61.300 -0.030 0.000 1.225 105 I CB 1.701 39.687 38.000 -0.024 0.000 1.366 105 I HN 0.449 nan 8.210 nan 0.000 0.466 106 I N 5.425 126.027 120.570 0.054 0.000 2.301 106 I HA 0.144 4.315 4.170 0.003 0.000 0.292 106 I C -0.012 176.145 176.117 0.066 0.000 1.046 106 I CA -0.111 61.236 61.300 0.079 0.000 1.282 106 I CB 0.714 38.753 38.000 0.065 0.000 1.409 106 I HN 0.517 nan 8.210 nan 0.000 0.484 107 D N 8.151 128.598 120.400 0.079 0.000 2.280 107 D HA 0.232 4.874 4.640 0.003 0.000 0.236 107 D C 0.314 176.646 176.300 0.053 0.000 1.082 107 D CA -0.443 53.592 54.000 0.058 0.000 0.834 107 D CB 1.382 42.217 40.800 0.058 0.000 1.100 107 D HN 0.381 nan 8.370 nan 0.000 0.486 108 M N 2.712 122.337 119.600 0.041 0.000 2.571 108 M HA 0.038 4.520 4.480 0.003 0.000 0.235 108 M C 1.639 177.957 176.300 0.030 0.000 1.216 108 M CA -0.203 55.116 55.300 0.032 0.000 0.979 108 M CB -0.482 32.133 32.600 0.025 0.000 1.616 108 M HN 0.179 nan 8.290 nan 0.000 0.469 109 S N 1.693 117.413 115.700 0.033 0.000 2.392 109 S HA -0.106 4.366 4.470 0.003 0.000 0.232 109 S C 1.672 176.288 174.600 0.026 0.000 1.041 109 S CA 1.362 59.579 58.200 0.028 0.000 1.026 109 S CB -0.211 63.006 63.200 0.029 0.000 0.845 109 S HN 0.580 nan 8.310 nan 0.000 0.465 110 L N 0.310 121.551 121.223 0.030 0.000 2.628 110 L HA 0.317 4.658 4.340 0.003 0.000 0.229 110 L C -0.157 176.726 176.870 0.022 0.000 1.137 110 L CA 0.028 54.885 54.840 0.028 0.000 0.909 110 L CB -0.095 41.985 42.059 0.036 0.000 1.137 110 L HN 0.105 nan 8.230 nan 0.000 0.470 111 L N 1.332 122.564 121.223 0.016 0.000 2.314 111 L HA 0.241 4.583 4.340 0.003 0.000 0.275 111 L C 0.559 177.432 176.870 0.006 0.000 1.068 111 L CA 0.005 54.848 54.840 0.005 0.000 0.894 111 L CB 0.692 42.747 42.059 -0.007 0.000 1.275 111 L HN 0.116 nan 8.230 nan 0.000 0.432 112 T N -2.771 111.790 114.554 0.011 0.000 3.460 112 T HA 0.157 4.509 4.350 0.003 0.000 0.304 112 T C 0.101 174.817 174.700 0.027 0.000 0.991 112 T CA -0.605 61.505 62.100 0.017 0.000 0.975 112 T CB 0.108 68.988 68.868 0.020 0.000 1.196 112 T HN 0.312 nan 8.240 nan 0.000 0.490 113 E N 1.715 121.926 120.200 0.020 0.000 2.392 113 E HA 0.450 4.802 4.350 0.003 0.000 0.264 113 E C -0.704 175.927 176.600 0.051 0.000 1.024 113 E CA -0.121 56.301 56.400 0.037 0.000 0.903 113 E CB 0.342 30.054 29.700 0.020 0.000 0.963 113 E HN 0.574 nan 8.360 nan 0.000 0.432 114 I N 3.373 124.007 120.570 0.107 0.000 2.563 114 I HA 0.595 4.767 4.170 0.003 0.000 0.285 114 I C -0.989 175.282 176.117 0.257 0.000 1.123 114 I CA -0.605 60.789 61.300 0.157 0.000 1.059 114 I CB 1.535 39.641 38.000 0.177 0.000 1.229 114 I HN 0.574 nan 8.210 nan 0.000 0.442 115 A N 4.533 127.495 122.820 0.237 0.000 2.589 115 A HA 0.559 4.880 4.320 0.003 0.000 0.296 115 A C -1.682 175.993 177.584 0.151 0.000 1.062 115 A CA -0.537 51.667 52.037 0.279 0.000 0.686 115 A CB 1.217 20.342 19.000 0.209 0.000 1.282 115 A HN 0.567 nan 8.150 nan 0.000 0.404 116 Y N 1.800 122.050 120.300 -0.084 0.000 2.544 116 Y HA 0.354 4.906 4.550 0.003 0.000 0.330 116 Y C -0.163 175.673 175.900 -0.107 0.000 1.136 116 Y CA 0.490 58.359 58.100 -0.386 0.000 1.417 116 Y CB 0.535 38.736 38.460 -0.431 0.000 1.229 116 Y HN 0.617 nan 8.280 nan 0.000 0.532 117 D N 8.627 128.592 120.400 -0.724 0.000 2.414 117 D HA 0.296 4.937 4.640 0.003 0.000 0.232 117 D C -2.241 173.534 176.300 -0.876 0.000 1.070 117 D CA -2.511 51.201 54.000 -0.479 0.000 0.839 117 D CB 1.968 42.804 40.800 0.060 0.000 1.079 117 D HN 0.320 nan 8.370 nan 0.000 0.521 118 P HA -0.057 nan 4.420 nan 0.000 0.222 118 P C 1.253 178.399 177.300 -0.257 0.000 1.153 118 P CA 0.648 63.456 63.100 -0.485 0.000 0.798 118 P CB 0.257 31.869 31.700 -0.147 0.000 0.796 119 S N -1.519 114.054 115.700 -0.210 0.000 2.428 119 S HA -0.017 4.455 4.470 0.003 0.000 0.230 119 S C 1.733 176.211 174.600 -0.204 0.000 1.014 119 S CA 0.910 59.015 58.200 -0.158 0.000 0.957 119 S CB -0.940 62.191 63.200 -0.116 0.000 0.784 119 S HN -0.070 nan 8.310 nan 0.000 0.499 120 M N 1.526 120.956 119.600 -0.284 0.000 2.509 120 M HA 0.253 4.735 4.480 0.003 0.000 0.250 120 M C 0.869 177.014 176.300 -0.259 0.000 1.132 120 M CA 0.268 55.382 55.300 -0.310 0.000 1.080 120 M CB -1.494 30.720 32.600 -0.643 0.000 1.408 120 M HN 0.587 nan 8.290 nan 0.000 0.484 121 N N 1.532 120.060 118.700 -0.288 0.000 2.714 121 N HA -0.158 4.584 4.740 0.003 0.000 0.252 121 N C -0.825 174.594 175.510 -0.151 0.000 1.014 121 N CA 0.437 53.362 53.050 -0.208 0.000 0.735 121 N CB -0.233 38.182 38.487 -0.120 0.000 0.924 121 N HN 0.422 nan 8.380 nan 0.000 0.540 122 A N 0.365 123.063 122.820 -0.202 0.000 2.606 122 A HA 0.667 4.989 4.320 0.003 0.000 0.293 122 A C -0.939 176.643 177.584 -0.003 0.000 1.082 122 A CA -0.595 51.446 52.037 0.006 0.000 0.685 122 A CB 0.699 19.836 19.000 0.227 0.000 1.284 122 A HN 0.169 nan 8.150 nan 0.000 0.408 123 F N 0.822 120.880 119.950 0.180 0.000 2.445 123 F HA 0.380 4.909 4.527 0.002 0.000 0.359 123 F C 0.567 176.437 175.800 0.117 0.000 1.101 123 F CA 0.085 58.127 58.000 0.070 0.000 1.177 123 F CB 1.087 40.049 39.000 -0.063 0.000 1.110 123 F HN 0.484 nan 8.300 nan 0.000 0.522 124 L N 5.896 127.216 121.223 0.162 0.000 2.369 124 L HA 0.344 4.686 4.340 0.003 0.000 0.279 124 L C -0.914 175.920 176.870 -0.060 0.000 1.108 124 L CA -0.236 54.501 54.840 -0.171 0.000 0.852 124 L CB -0.066 41.897 42.059 -0.159 0.000 1.169 124 L HN 0.403 nan 8.230 nan 0.000 0.452 125 I N 4.990 125.510 120.570 -0.084 0.000 2.410 125 I HA 0.351 4.523 4.170 0.003 0.000 0.286 125 I C 0.024 176.140 176.117 -0.002 0.000 1.009 125 I CA -0.470 60.832 61.300 0.003 0.000 1.111 125 I CB 1.411 39.440 38.000 0.049 0.000 1.262 125 I HN 0.629 nan 8.210 nan 0.000 0.443 126 E N 7.483 127.669 120.200 -0.023 0.000 2.349 126 E HA 0.219 4.571 4.350 0.003 0.000 0.265 126 E C -1.425 175.205 176.600 0.050 0.000 1.064 126 E CA -1.491 54.891 56.400 -0.030 0.000 0.886 126 E CB 1.202 30.871 29.700 -0.052 0.000 1.036 126 E HN 0.343 nan 8.360 nan 0.000 0.413 127 P HA -0.093 nan 4.420 nan 0.000 0.230 127 P C 0.878 178.218 177.300 0.067 0.000 1.158 127 P CA 0.796 63.970 63.100 0.123 0.000 0.769 127 P CB 0.205 31.955 31.700 0.084 0.000 0.807 128 G N -0.720 108.100 108.800 0.033 0.000 2.777 128 G HA2 -0.052 3.910 3.960 0.003 0.000 0.211 128 G HA3 -0.052 3.910 3.960 0.003 0.000 0.211 128 G C 0.774 175.680 174.900 0.011 0.000 1.149 128 G CA -0.156 44.958 45.100 0.023 0.000 0.785 128 G HN 0.236 nan 8.290 nan 0.000 0.536 129 N N 1.634 120.336 118.700 0.003 0.000 2.492 129 N HA 0.128 4.870 4.740 0.003 0.000 0.260 129 N C 0.709 176.184 175.510 -0.058 0.000 1.215 129 N CA 0.433 53.469 53.050 -0.024 0.000 0.923 129 N CB 1.117 39.587 38.487 -0.028 0.000 1.092 129 N HN 0.271 nan 8.380 nan 0.000 0.448 130 T N -1.275 113.229 114.554 -0.083 0.000 2.874 130 T HA 0.270 4.622 4.350 0.003 0.000 0.281 130 T C 1.950 176.507 174.700 -0.237 0.000 0.994 130 T CA -0.761 61.256 62.100 -0.138 0.000 1.015 130 T CB 0.637 69.436 68.868 -0.114 0.000 1.028 130 T HN 0.316 nan 8.240 nan 0.000 0.523 131 L N 0.774 121.784 121.223 -0.356 0.000 2.079 131 L HA -0.133 4.208 4.340 0.003 0.000 0.210 131 L C 3.097 179.522 176.870 -0.740 0.000 1.081 131 L CA 1.349 55.812 54.840 -0.628 0.000 0.752 131 L CB -0.894 40.772 42.059 -0.656 0.000 0.896 131 L HN 0.765 nan 8.230 nan 0.000 0.433 132 S N -0.312 115.160 115.700 -0.381 0.000 2.368 132 S HA -0.199 4.272 4.470 0.003 0.000 0.225 132 S C 1.821 176.340 174.600 -0.136 0.000 1.030 132 S CA 1.349 59.426 58.200 -0.204 0.000 0.999 132 S CB -0.146 62.988 63.200 -0.109 0.000 0.844 132 S HN 0.458 nan 8.310 nan 0.000 0.459 133 E N 0.383 120.507 120.200 -0.126 0.000 2.085 133 E HA -0.120 4.231 4.350 0.003 0.000 0.194 133 E C 2.098 178.674 176.600 -0.039 0.000 0.994 133 E CA 1.267 57.634 56.400 -0.056 0.000 0.801 133 E CB -0.183 29.491 29.700 -0.043 0.000 0.743 133 E HN 0.259 nan 8.360 nan 0.000 0.453 134 V N 0.643 120.476 119.914 -0.134 0.000 2.270 134 V HA -0.259 3.862 4.120 0.003 0.000 0.245 134 V C 1.976 178.093 176.094 0.038 0.000 1.043 134 V CA 1.704 63.947 62.300 -0.094 0.000 1.014 134 V CB -0.653 31.043 31.823 -0.211 0.000 0.645 134 V HN 0.245 nan 8.190 nan 0.000 0.447 135 Y N 0.674 120.991 120.300 0.029 0.000 2.128 135 Y HA -0.218 4.334 4.550 0.003 0.000 0.284 135 Y C 2.559 178.539 175.900 0.133 0.000 1.154 135 Y CA 1.408 59.555 58.100 0.078 0.000 1.149 135 Y CB -1.098 37.363 38.460 0.001 0.000 0.976 135 Y HN 0.273 nan 8.280 nan 0.000 0.505 136 E N 0.155 120.490 120.200 0.224 0.000 2.058 136 E HA -0.171 4.181 4.350 0.003 0.000 0.194 136 E C 2.292 179.028 176.600 0.226 0.000 0.997 136 E CA 1.329 57.848 56.400 0.199 0.000 0.801 136 E CB -0.100 29.662 29.700 0.103 0.000 0.746 136 E HN 0.024 nan 8.360 nan 0.000 0.450 137 K N -0.047 120.471 120.400 0.195 0.000 2.025 137 K HA -0.087 4.235 4.320 0.003 0.000 0.207 137 K C 1.988 178.788 176.600 0.332 0.000 1.049 137 K CA 0.631 57.050 56.287 0.221 0.000 0.933 137 K CB -0.477 32.161 32.500 0.231 0.000 0.714 137 K HN 0.116 nan 8.250 nan 0.000 0.438 138 L N 0.708 122.132 121.223 0.336 0.000 1.990 138 L HA -0.233 4.109 4.340 0.003 0.000 0.213 138 L C 2.409 179.497 176.870 0.363 0.000 1.072 138 L CA 1.717 56.752 54.840 0.324 0.000 0.755 138 L CB -1.385 40.738 42.059 0.107 0.000 0.889 138 L HN 0.231 nan 8.230 nan 0.000 0.432 139 Y N -0.250 120.170 120.300 0.200 0.000 2.070 139 Y HA -0.262 4.290 4.550 0.003 0.000 0.280 139 Y C 2.514 178.473 175.900 0.099 0.000 1.148 139 Y CA 1.645 59.848 58.100 0.171 0.000 1.125 139 Y CB -0.545 38.082 38.460 0.278 0.000 0.975 139 Y HN 0.072 nan 8.280 nan 0.000 0.492 140 L N -0.846 120.399 121.223 0.036 0.000 2.012 140 L HA -0.207 4.134 4.340 0.003 0.000 0.210 140 L C 2.654 179.362 176.870 -0.270 0.000 1.073 140 L CA 1.577 56.322 54.840 -0.157 0.000 0.748 140 L CB -1.294 40.730 42.059 -0.058 0.000 0.891 140 L HN 0.419 nan 8.230 nan 0.000 0.431 141 G N -1.444 107.142 108.800 -0.356 0.000 2.394 141 G HA2 -0.201 3.760 3.960 0.003 0.000 0.215 141 G HA3 -0.201 3.760 3.960 0.003 0.000 0.215 141 G C 1.110 175.407 174.900 -1.005 0.000 1.165 141 G CA 0.357 44.860 45.100 -0.995 0.000 0.784 141 G HN 0.451 nan 8.290 nan 0.000 0.535 142 W N -1.289 120.019 121.300 0.014 0.000 2.079 142 W HA 0.229 4.891 4.660 0.003 0.000 0.285 142 W C 0.706 177.200 176.519 -0.041 0.000 0.891 142 W CA -0.327 57.032 57.345 0.024 0.000 1.308 142 W CB -0.146 29.408 29.460 0.157 0.000 1.047 142 W HN 0.325 nan 8.180 nan 0.000 0.522 143 N N 2.032 120.782 118.700 0.083 0.000 2.738 143 N HA -0.195 4.547 4.740 0.003 0.000 0.249 143 N C -0.805 174.750 175.510 0.076 0.000 1.047 143 N CA 1.219 54.276 53.050 0.012 0.000 0.707 143 N CB -1.197 37.240 38.487 -0.082 0.000 0.937 143 N HN 0.050 nan 8.380 nan 0.000 0.545 144 V N -4.138 115.830 119.914 0.089 0.000 3.181 144 V HA 0.989 5.111 4.120 0.003 0.000 0.314 144 V C 0.554 176.597 176.094 -0.084 0.000 1.173 144 V CA 0.119 62.373 62.300 -0.077 0.000 1.052 144 V CB 1.815 33.524 31.823 -0.190 0.000 1.123 144 V HN 0.284 nan 8.190 nan 0.000 0.454 145 T N 0.126 114.541 114.554 -0.231 0.000 2.739 145 T HA 0.658 5.009 4.350 0.003 0.000 0.303 145 T C -1.625 172.926 174.700 -0.249 0.000 1.389 145 T CA -0.151 61.859 62.100 -0.149 0.000 1.001 145 T CB 1.490 70.260 68.868 -0.162 0.000 1.436 145 T HN 1.386 nan 8.240 nan 0.000 0.500 146 I N 0.632 121.158 120.570 -0.073 0.000 2.474 146 I HA 0.705 4.877 4.170 0.003 0.000 0.294 146 I C -2.563 173.557 176.117 0.006 0.000 1.005 146 I CA -2.932 58.301 61.300 -0.111 0.000 1.113 146 I CB 2.436 40.439 38.000 0.005 0.000 1.289 146 I HN 0.292 nan 8.210 nan 0.000 0.436 147 P HA 0.235 nan 4.420 nan 0.000 0.231 147 P C 0.195 177.602 177.300 0.179 0.000 1.811 147 P CA 0.231 63.390 63.100 0.098 0.000 1.051 147 P CB 0.263 32.076 31.700 0.188 0.000 1.951 148 G N 1.067 110.022 108.800 0.259 0.000 2.606 148 G HA2 0.572 4.533 3.960 0.003 0.000 0.262 148 G HA3 0.572 4.533 3.960 0.003 0.000 0.262 148 G C 0.083 175.126 174.900 0.239 0.000 1.394 148 G CA -0.676 44.659 45.100 0.391 0.000 1.044 148 G HN 0.368 nan 8.290 nan 0.000 0.553 149 G N -1.913 107.004 108.800 0.195 0.000 2.616 149 G HA2 0.442 4.403 3.960 0.003 0.000 0.268 149 G HA3 0.442 4.403 3.960 0.003 0.000 0.268 149 G C 1.278 176.188 174.900 0.016 0.000 1.213 149 G CA 0.437 45.530 45.100 -0.011 0.000 0.926 149 G HN 1.207 nan 8.290 nan 0.000 0.523 150 V N -1.242 118.653 119.914 -0.032 0.000 2.255 150 V HA -0.069 4.053 4.120 0.003 0.000 0.243 150 V C 1.767 177.855 176.094 -0.009 0.000 1.038 150 V CA 0.899 63.197 62.300 -0.003 0.000 1.008 150 V CB -1.326 30.495 31.823 -0.003 0.000 0.645 150 V HN 0.642 nan 8.190 nan 0.000 0.449 151 C N 3.018 122.306 119.300 -0.020 0.000 1.750 151 C HA 0.127 4.588 4.460 0.003 0.000 0.454 151 C C 2.333 177.234 174.990 -0.148 0.000 1.443 151 C CA 0.586 59.567 59.018 -0.063 0.000 1.576 151 C CB -1.930 25.763 27.740 -0.077 0.000 2.921 151 C HN 0.805 nan 8.230 nan 0.000 0.614 152 G N 3.760 112.501 108.800 -0.097 0.000 2.574 152 G HA2 -0.196 3.765 3.960 0.003 0.000 0.220 152 G HA3 -0.196 3.765 3.960 0.003 0.000 0.220 152 G C 1.620 176.427 174.900 -0.154 0.000 1.173 152 G CA 0.972 46.002 45.100 -0.115 0.000 0.772 152 G HN 0.904 nan 8.290 nan 0.000 0.585 153 G N -0.563 108.163 108.800 -0.122 0.000 2.848 153 G HA2 0.246 4.208 3.960 0.003 0.000 0.208 153 G HA3 0.246 4.208 3.960 0.003 0.000 0.208 153 G C 0.503 175.280 174.900 -0.204 0.000 1.152 153 G CA 0.075 45.132 45.100 -0.073 0.000 0.789 153 G HN 0.355 nan 8.290 nan 0.000 0.531 154 V N 1.219 120.854 119.914 -0.465 0.000 2.585 154 V HA 0.394 4.515 4.120 0.003 0.000 0.296 154 V C 1.286 177.236 176.094 -0.240 0.000 1.035 154 V CA 0.041 62.059 62.300 -0.471 0.000 1.084 154 V CB 0.896 32.412 31.823 -0.512 0.000 0.953 154 V HN 0.223 nan 8.190 nan 0.000 0.483 155 G N 3.588 112.337 108.800 -0.085 0.000 2.415 155 G HA2 0.370 4.331 3.960 0.003 0.000 0.269 155 G HA3 0.370 4.331 3.960 0.003 0.000 0.269 155 G C 0.915 175.806 174.900 -0.015 0.000 1.209 155 G CA -0.461 44.621 45.100 -0.030 0.000 0.835 155 G HN 0.554 nan 8.290 nan 0.000 0.534 156 V N 3.221 123.127 119.914 -0.014 0.000 2.343 156 V HA -0.138 3.983 4.120 0.003 0.000 0.247 156 V C 3.083 179.252 176.094 0.125 0.000 1.051 156 V CA 2.479 64.785 62.300 0.010 0.000 1.036 156 V CB -1.068 30.753 31.823 -0.004 0.000 0.654 156 V HN 0.891 nan 8.190 nan 0.000 0.451 157 G N 0.563 109.478 108.800 0.191 0.000 2.719 157 G HA2 -0.313 3.649 3.960 0.003 0.000 0.219 157 G HA3 -0.313 3.649 3.960 0.003 0.000 0.219 157 G C 1.587 176.626 174.900 0.232 0.000 1.234 157 G CA 1.285 46.532 45.100 0.244 0.000 0.788 157 G HN 0.607 nan 8.290 nan 0.000 0.619 158 G N -0.970 107.921 108.800 0.152 0.000 2.448 158 G HA2 -0.048 3.913 3.960 0.003 0.000 0.218 158 G HA3 -0.048 3.913 3.960 0.003 0.000 0.218 158 G C 1.553 176.515 174.900 0.104 0.000 1.135 158 G CA 1.343 46.515 45.100 0.119 0.000 0.784 158 G HN 0.635 nan 8.290 nan 0.000 0.543 159 H N 0.258 119.324 119.070 -0.006 0.000 2.317 159 H HA 0.076 4.633 4.556 0.002 0.000 0.304 159 H C 2.541 177.838 175.328 -0.053 0.000 1.067 159 H CA 1.015 57.040 56.048 -0.039 0.000 1.352 159 H CB 0.036 29.763 29.762 -0.058 0.000 1.398 159 H HN 0.134 nan 8.280 nan 0.000 0.510 160 I N 1.026 121.509 120.570 -0.146 0.000 2.127 160 I HA -0.300 3.872 4.170 0.003 0.000 0.241 160 I C 2.916 178.957 176.117 -0.127 0.000 1.075 160 I CA 1.438 62.551 61.300 -0.312 0.000 1.334 160 I CB -1.855 35.595 38.000 -0.917 0.000 1.040 160 I HN 0.610 nan 8.210 nan 0.000 0.405 161 C N 0.686 120.023 119.300 0.061 0.000 2.437 161 C HA 0.123 4.585 4.460 0.003 0.000 0.283 161 C C 2.568 177.590 174.990 0.052 0.000 1.424 161 C CA 0.188 59.312 59.018 0.176 0.000 1.782 161 C CB -1.868 26.106 27.740 0.389 0.000 1.833 161 C HN 0.531 nan 8.230 nan 0.000 0.532 162 G N -0.562 108.233 108.800 -0.009 0.000 2.939 162 G HA2 0.414 4.376 3.960 0.003 0.000 0.210 162 G HA3 0.414 4.376 3.960 0.003 0.000 0.210 162 G C 1.149 176.049 174.900 0.001 0.000 1.160 162 G CA 0.622 45.684 45.100 -0.062 0.000 0.770 162 G HN 1.672 nan 8.290 nan 0.000 0.543 163 G N -0.565 108.241 108.800 0.010 0.000 2.288 163 G HA2 0.178 4.139 3.960 0.003 0.000 0.205 163 G HA3 0.178 4.139 3.960 0.003 0.000 0.205 163 G C 0.571 175.562 174.900 0.151 0.000 1.071 163 G CA -0.088 45.085 45.100 0.122 0.000 0.788 163 G HN 0.978 nan 8.290 nan 0.000 0.491 164 G N -0.157 108.542 108.800 -0.168 0.000 2.321 164 G HA2 0.598 4.559 3.960 0.003 0.000 0.237 164 G HA3 0.598 4.559 3.960 0.003 0.000 0.237 164 G C -0.052 174.930 174.900 0.137 0.000 1.282 164 G CA 0.783 45.635 45.100 -0.412 0.000 0.886 164 G HN 1.884 nan 8.290 nan 0.000 0.528 165 Y N 0.165 120.530 120.300 0.110 0.000 2.625 165 Y HA 0.830 5.381 4.550 0.002 0.000 0.338 165 Y C 0.204 176.206 175.900 0.170 0.000 1.123 165 Y CA -0.843 57.361 58.100 0.173 0.000 1.046 165 Y CB 1.230 39.827 38.460 0.228 0.000 1.299 165 Y HN 1.030 nan 8.280 nan 0.000 0.464 166 G N -0.205 108.464 108.800 -0.218 0.000 2.604 166 G HA2 0.355 4.316 3.960 0.003 0.000 0.242 166 G HA3 0.355 4.316 3.960 0.003 0.000 0.242 166 G C -2.630 171.885 174.900 -0.642 0.000 1.208 166 G CA -0.558 44.212 45.100 -0.550 0.000 0.912 166 G HN 0.399 nan 8.290 nan 0.000 0.502 167 P HA 0.028 nan 4.420 nan 0.000 0.221 167 P C 1.424 178.541 177.300 -0.306 0.000 1.145 167 P CA 0.941 63.350 63.100 -1.153 0.000 0.795 167 P CB 0.197 31.342 31.700 -0.924 0.000 0.775 168 L N -1.569 119.577 121.223 -0.128 0.000 2.607 168 L HA 0.149 4.491 4.340 0.003 0.000 0.228 168 L C 2.123 179.046 176.870 0.089 0.000 1.123 168 L CA 0.159 55.019 54.840 0.033 0.000 0.890 168 L CB -0.412 41.743 42.059 0.161 0.000 1.103 168 L HN -0.084 nan 8.230 nan 0.000 0.468 169 S N 0.427 116.182 115.700 0.092 0.000 2.355 169 S HA -0.132 4.340 4.470 0.003 0.000 0.222 169 S C 1.968 176.611 174.600 0.071 0.000 1.031 169 S CA 1.154 59.445 58.200 0.151 0.000 0.993 169 S CB -0.113 63.244 63.200 0.262 0.000 0.859 169 S HN 0.399 nan 8.310 nan 0.000 0.453 170 R N 0.898 121.448 120.500 0.083 0.000 2.226 170 R HA -0.147 4.195 4.340 0.003 0.000 0.246 170 R C 2.417 178.700 176.300 -0.029 0.000 1.161 170 R CA 1.335 57.467 56.100 0.052 0.000 0.997 170 R CB -0.145 30.255 30.300 0.167 0.000 0.870 170 R HN 0.493 nan 8.270 nan 0.000 0.465 171 Q N -1.445 118.285 119.800 -0.117 0.000 2.324 171 Q HA 0.030 4.371 4.340 0.003 0.000 0.207 171 Q C 0.466 176.195 176.000 -0.451 0.000 0.928 171 Q CA 0.679 56.254 55.803 -0.379 0.000 0.890 171 Q CB 0.556 28.892 28.738 -0.670 0.000 1.001 171 Q HN 0.232 nan 8.270 nan 0.000 0.517 172 F N -1.036 118.965 119.950 0.085 0.000 2.767 172 F HA 0.418 4.947 4.527 0.002 0.000 0.323 172 F C 0.794 176.763 175.800 0.282 0.000 1.091 172 F CA 0.523 58.623 58.000 0.166 0.000 1.192 172 F CB 1.365 40.415 39.000 0.082 0.000 1.056 172 F HN 0.151 nan 8.300 nan 0.000 0.571 173 G N 0.388 109.373 108.800 0.309 0.000 2.610 173 G HA2 -0.059 3.902 3.960 0.003 0.000 0.304 173 G HA3 -0.059 3.902 3.960 0.003 0.000 0.304 173 G C -0.397 174.666 174.900 0.271 0.000 1.309 173 G CA -0.515 44.727 45.100 0.236 0.000 0.906 173 G HN 0.286 nan 8.290 nan 0.000 0.521 174 S N -1.667 114.169 115.700 0.226 0.000 2.600 174 S HA 0.397 4.868 4.470 0.003 0.000 0.265 174 S C 1.749 176.543 174.600 0.325 0.000 1.325 174 S CA 0.490 58.846 58.200 0.260 0.000 1.002 174 S CB 1.380 64.701 63.200 0.202 0.000 0.921 174 S HN 1.735 nan 8.310 nan 0.000 0.554 175 V N 3.572 123.649 119.914 0.272 0.000 2.392 175 V HA -0.152 3.970 4.120 0.003 0.000 0.249 175 V C 2.250 178.497 176.094 0.256 0.000 1.059 175 V CA 2.341 64.795 62.300 0.257 0.000 1.051 175 V CB -0.487 31.419 31.823 0.138 0.000 0.658 175 V HN 0.851 nan 8.190 nan 0.000 0.455 176 V N -2.261 117.751 119.914 0.163 0.000 2.970 176 V HA -0.116 4.006 4.120 0.003 0.000 0.260 176 V C 1.817 177.998 176.094 0.146 0.000 1.100 176 V CA 1.936 64.303 62.300 0.113 0.000 1.122 176 V CB -0.874 30.949 31.823 0.001 0.000 0.721 176 V HN 0.500 nan 8.190 nan 0.000 0.483 177 D N -0.209 120.268 120.400 0.127 0.000 2.378 177 D HA -0.058 4.583 4.640 0.003 0.000 0.222 177 D C 1.093 177.209 176.300 -0.306 0.000 0.980 177 D CA 1.313 55.283 54.000 -0.051 0.000 0.907 177 D CB -0.114 40.616 40.800 -0.117 0.000 0.899 177 D HN 0.732 nan 8.370 nan 0.000 0.527 178 Y N -0.496 119.925 120.300 0.202 0.000 2.557 178 Y HA 0.216 4.767 4.550 0.002 0.000 0.247 178 Y C 0.361 176.437 175.900 0.293 0.000 1.164 178 Y CA -0.772 57.458 58.100 0.215 0.000 1.218 178 Y CB 0.567 39.117 38.460 0.151 0.000 1.210 178 Y HN -0.160 nan 8.280 nan 0.000 0.529 179 L N 0.626 122.104 121.223 0.425 0.000 2.325 179 L HA 0.086 4.428 4.340 0.003 0.000 0.284 179 L C 0.677 177.968 176.870 0.701 0.000 1.089 179 L CA -0.085 55.063 54.840 0.513 0.000 0.836 179 L CB 0.048 42.349 42.059 0.404 0.000 1.184 179 L HN 0.338 nan 8.230 nan 0.000 0.444 180 Y N 5.575 126.142 120.300 0.445 0.000 2.389 180 Y HA 0.600 5.152 4.550 0.003 0.000 0.292 180 Y C 0.502 176.521 175.900 0.198 0.000 1.117 180 Y CA 0.436 58.682 58.100 0.242 0.000 1.195 180 Y CB 0.362 38.915 38.460 0.155 0.000 1.076 180 Y HN 0.623 nan 8.280 nan 0.000 0.548 181 A N -0.406 122.535 122.820 0.202 0.000 2.610 181 A HA 0.674 4.996 4.320 0.003 0.000 0.291 181 A C -2.072 175.785 177.584 0.455 0.000 1.086 181 A CA -0.336 51.786 52.037 0.141 0.000 0.677 181 A CB 1.268 20.099 19.000 -0.280 0.000 1.278 181 A HN 0.070 nan 8.150 nan 0.000 0.414 182 V N 0.323 120.416 119.914 0.299 0.000 2.808 182 V HA 0.562 4.684 4.120 0.003 0.000 0.308 182 V C -0.889 175.227 176.094 0.035 0.000 1.099 182 V CA -0.360 61.972 62.300 0.053 0.000 0.920 182 V CB 1.792 33.492 31.823 -0.204 0.000 1.014 182 V HN 0.991 nan 8.190 nan 0.000 0.425 183 E N 4.602 124.765 120.200 -0.062 0.000 2.133 183 E HA 0.678 5.030 4.350 0.003 0.000 0.274 183 E C -1.662 174.813 176.600 -0.208 0.000 0.930 183 E CA -0.421 55.952 56.400 -0.045 0.000 0.770 183 E CB 1.768 31.479 29.700 0.018 0.000 1.104 183 E HN 0.512 nan 8.360 nan 0.000 0.403 184 V N 4.352 124.154 119.914 -0.186 0.000 2.656 184 V HA 0.279 4.400 4.120 0.003 0.000 0.307 184 V C -0.218 175.809 176.094 -0.112 0.000 1.051 184 V CA -1.033 61.147 62.300 -0.200 0.000 0.893 184 V CB 1.843 33.527 31.823 -0.232 0.000 0.999 184 V HN 0.497 nan 8.190 nan 0.000 0.426 185 V N 5.511 125.372 119.914 -0.087 0.000 2.389 185 V HA 0.344 4.466 4.120 0.003 0.000 0.264 185 V C 0.206 176.311 176.094 0.017 0.000 1.049 185 V CA -0.152 62.136 62.300 -0.020 0.000 0.932 185 V CB 1.236 33.065 31.823 0.010 0.000 1.011 185 V HN 0.752 nan 8.190 nan 0.000 0.475 186 V N 4.086 124.040 119.914 0.065 0.000 2.850 186 V HA 0.780 4.902 4.120 0.003 0.000 0.315 186 V C -0.340 175.866 176.094 0.187 0.000 1.064 186 V CA -0.747 61.644 62.300 0.152 0.000 0.979 186 V CB 2.072 34.010 31.823 0.192 0.000 1.039 186 V HN 0.373 nan 8.190 nan 0.000 0.452 187 V N 4.214 124.278 119.914 0.250 0.000 2.378 187 V HA 0.371 4.492 4.120 0.003 0.000 0.288 187 V C 0.467 176.628 176.094 0.112 0.000 1.016 187 V CA -0.508 61.877 62.300 0.141 0.000 0.840 187 V CB 0.805 32.668 31.823 0.067 0.000 0.994 187 V HN 1.170 nan 8.190 nan 0.000 0.431 188 N N 3.617 122.357 118.700 0.067 0.000 2.294 188 N HA 0.122 4.863 4.740 0.003 0.000 0.248 188 N C 1.093 176.620 175.510 0.029 0.000 1.300 188 N CA -0.734 52.344 53.050 0.047 0.000 0.925 188 N CB 0.877 39.383 38.487 0.032 0.000 1.188 188 N HN 0.363 nan 8.380 nan 0.000 0.512 189 K N 0.177 120.589 120.400 0.020 0.000 2.074 189 K HA -0.219 4.102 4.320 0.003 0.000 0.209 189 K C 1.649 178.253 176.600 0.006 0.000 1.048 189 K CA 1.851 58.146 56.287 0.014 0.000 0.926 189 K CB -0.384 32.121 32.500 0.008 0.000 0.713 189 K HN 0.633 nan 8.250 nan 0.000 0.444 190 Q N -1.122 118.680 119.800 0.003 0.000 2.472 190 Q HA 0.206 4.547 4.340 0.003 0.000 0.208 190 Q C 0.739 176.732 176.000 -0.012 0.000 0.958 190 Q CA 0.857 56.659 55.803 -0.001 0.000 0.932 190 Q CB 0.328 29.067 28.738 0.001 0.000 1.007 190 Q HN 0.520 nan 8.270 nan 0.000 0.508 191 G N 0.180 108.967 108.800 -0.021 0.000 2.142 191 G HA2 -0.231 3.731 3.960 0.003 0.000 0.225 191 G HA3 -0.231 3.731 3.960 0.003 0.000 0.225 191 G C -0.260 174.607 174.900 -0.055 0.000 1.015 191 G CA -0.339 44.725 45.100 -0.060 0.000 0.716 191 G HN 0.071 nan 8.290 nan 0.000 0.508 192 K N 0.415 120.803 120.400 -0.021 0.000 2.183 192 K HA 0.675 4.996 4.320 0.003 0.000 0.274 192 K C 0.481 177.086 176.600 0.008 0.000 1.009 192 K CA 0.135 56.418 56.287 -0.007 0.000 0.888 192 K CB 1.794 34.297 32.500 0.005 0.000 1.078 192 K HN 0.531 nan 8.250 nan 0.000 0.459 193 A N 4.161 126.988 122.820 0.011 0.000 2.331 193 A HA 0.441 4.762 4.320 0.003 0.000 0.283 193 A C 0.071 177.676 177.584 0.034 0.000 1.142 193 A CA -0.422 51.636 52.037 0.034 0.000 0.812 193 A CB 0.372 19.393 19.000 0.036 0.000 1.074 193 A HN 0.901 nan 8.150 nan 0.000 0.497 194 R N 0.493 121.018 120.500 0.042 0.000 2.799 194 R HA 0.735 5.076 4.340 0.003 0.000 0.270 194 R C -1.985 174.325 176.300 0.018 0.000 1.010 194 R CA -0.794 55.324 56.100 0.030 0.000 0.916 194 R CB 1.367 31.687 30.300 0.034 0.000 1.228 194 R HN 0.315 nan 8.270 nan 0.000 0.469 195 V N 2.645 122.561 119.914 0.004 0.000 2.435 195 V HA 0.476 4.597 4.120 0.003 0.000 0.290 195 V C -0.027 176.042 176.094 -0.043 0.000 1.030 195 V CA -0.622 61.670 62.300 -0.015 0.000 0.881 195 V CB 1.336 33.159 31.823 -0.001 0.000 0.983 195 V HN 0.570 nan 8.190 nan 0.000 0.445 196 I N 4.256 124.775 120.570 -0.086 0.000 2.530 196 I HA 0.500 4.671 4.170 0.003 0.000 0.297 196 I C -0.689 175.376 176.117 -0.087 0.000 1.011 196 I CA -0.963 60.246 61.300 -0.151 0.000 1.107 196 I CB 2.373 40.165 38.000 -0.346 0.000 1.285 196 I HN 0.250 nan 8.210 nan 0.000 0.436 197 V N 5.127 125.013 119.914 -0.047 0.000 2.328 197 V HA 0.595 4.716 4.120 0.003 0.000 0.278 197 V C 0.210 176.288 176.094 -0.026 0.000 1.021 197 V CA -0.430 61.865 62.300 -0.008 0.000 0.838 197 V CB 1.159 32.965 31.823 -0.029 0.000 0.999 197 V HN 0.811 nan 8.190 nan 0.000 0.447 198 A N 4.092 126.904 122.820 -0.013 0.000 2.317 198 A HA 0.897 5.218 4.320 0.003 0.000 0.327 198 A C 0.238 177.815 177.584 -0.013 0.000 1.178 198 A CA -0.245 51.819 52.037 0.044 0.000 0.817 198 A CB 1.377 20.420 19.000 0.072 0.000 1.189 198 A HN 0.852 nan 8.150 nan 0.000 0.489 199 T N -1.113 113.356 114.554 -0.142 0.000 2.910 199 T HA 0.449 4.800 4.350 0.003 0.000 0.287 199 T C 0.804 174.994 174.700 -0.850 0.000 1.050 199 T CA -0.623 61.149 62.100 -0.547 0.000 1.011 199 T CB 1.315 69.769 68.868 -0.691 0.000 1.195 199 T HN 0.589 nan 8.240 nan 0.000 0.540 200 R N -0.120 119.590 120.500 -1.316 0.000 2.307 200 R HA 0.066 4.408 4.340 0.003 0.000 0.199 200 R C -0.085 175.929 176.300 -0.477 0.000 1.000 200 R CA 0.257 55.429 56.100 -1.547 0.000 1.023 200 R CB -0.118 29.568 30.300 -1.022 0.000 0.908 200 R HN 0.707 nan 8.270 nan 0.000 0.473 201 E N 0.661 120.711 120.200 -0.249 0.000 2.351 201 E HA -0.039 4.312 4.350 0.003 0.000 0.266 201 E C 0.565 177.034 176.600 -0.219 0.000 1.031 201 E CA -0.145 56.175 56.400 -0.135 0.000 0.911 201 E CB 0.899 30.553 29.700 -0.076 0.000 0.986 201 E HN 0.105 nan 8.360 nan 0.000 0.446 202 R N 1.999 122.283 120.500 -0.359 0.000 2.159 202 R HA -0.147 4.194 4.340 0.003 0.000 0.237 202 R C 1.289 177.338 176.300 -0.418 0.000 1.131 202 R CA 1.535 57.242 56.100 -0.655 0.000 0.982 202 R CB -0.019 30.050 30.300 -0.385 0.000 0.868 202 R HN 0.581 nan 8.270 nan 0.000 0.453 203 D N -0.210 120.057 120.400 -0.222 0.000 2.340 203 D HA -0.087 4.555 4.640 0.003 0.000 0.220 203 D C -0.223 176.022 176.300 -0.092 0.000 1.039 203 D CA 0.038 53.956 54.000 -0.136 0.000 0.866 203 D CB -0.339 40.403 40.800 -0.098 0.000 0.913 203 D HN 0.011 nan 8.370 nan 0.000 0.523 204 D N 2.305 122.661 120.400 -0.073 0.000 2.472 204 D HA -0.041 4.601 4.640 0.003 0.000 0.248 204 D C -1.137 175.165 176.300 0.004 0.000 1.174 204 D CA -1.058 52.938 54.000 -0.007 0.000 0.883 204 D CB 1.722 42.553 40.800 0.052 0.000 1.149 204 D HN 0.017 nan 8.370 nan 0.000 0.488 205 P HA -0.129 nan 4.420 nan 0.000 0.223 205 P C 0.373 177.499 177.300 -0.290 0.000 1.144 205 P CA 1.120 64.108 63.100 -0.187 0.000 0.783 205 P CB 0.210 31.752 31.700 -0.262 0.000 0.771 206 H N -2.011 117.136 119.070 0.128 0.000 2.472 206 H HA 0.110 4.667 4.556 0.002 0.000 0.287 206 H C 1.594 177.028 175.328 0.176 0.000 1.112 206 H CA -0.335 55.817 56.048 0.173 0.000 1.021 206 H CB -0.567 29.268 29.762 0.122 0.000 1.635 206 H HN 0.335 nan 8.280 nan 0.000 0.559 207 H N 1.253 120.420 119.070 0.161 0.000 2.319 207 H HA -0.131 4.427 4.556 0.003 0.000 0.299 207 H C 0.752 176.277 175.328 0.328 0.000 1.092 207 H CA 1.486 57.655 56.048 0.200 0.000 1.302 207 H CB 0.562 30.386 29.762 0.104 0.000 1.373 207 H HN 0.290 nan 8.280 nan 0.000 0.497 208 D N 0.856 121.394 120.400 0.231 0.000 2.133 208 D HA -0.162 4.480 4.640 0.003 0.000 0.195 208 D C 2.506 178.861 176.300 0.091 0.000 0.997 208 D CA 0.455 54.550 54.000 0.157 0.000 0.840 208 D CB -0.395 40.513 40.800 0.180 0.000 0.947 208 D HN 0.354 nan 8.370 nan 0.000 0.452 209 L N -0.560 120.650 121.223 -0.021 0.000 2.056 209 L HA -0.145 4.196 4.340 0.003 0.000 0.207 209 L C 2.259 179.110 176.870 -0.030 0.000 1.078 209 L CA 1.220 55.890 54.840 -0.283 0.000 0.749 209 L CB -0.341 41.357 42.059 -0.602 0.000 0.901 209 L HN 0.243 nan 8.230 nan 0.000 0.433 210 W N 0.016 121.260 121.300 -0.093 0.000 2.333 210 W HA -0.303 4.359 4.660 0.003 0.000 0.316 210 W C 2.396 178.910 176.519 -0.008 0.000 1.215 210 W CA 1.865 59.177 57.345 -0.055 0.000 1.278 210 W CB -0.987 28.407 29.460 -0.110 0.000 1.154 210 W HN 0.313 nan 8.180 nan 0.000 0.486 211 W N 1.458 122.485 121.300 -0.455 0.000 2.342 211 W HA -0.199 4.463 4.660 0.002 0.000 0.297 211 W C 2.295 178.464 176.519 -0.583 0.000 1.213 211 W CA 3.152 60.035 57.345 -0.770 0.000 1.251 211 W CB -0.686 28.586 29.460 -0.314 0.000 1.136 211 W HN 0.017 nan 8.180 nan 0.000 0.526 212 A N -0.699 121.906 122.820 -0.359 0.000 2.019 212 A HA -0.226 4.096 4.320 0.003 0.000 0.219 212 A C 1.255 178.416 177.584 -0.705 0.000 1.164 212 A CA 1.917 53.534 52.037 -0.699 0.000 0.644 212 A CB -1.132 17.175 19.000 -1.156 0.000 0.805 212 A HN 0.577 nan 8.150 nan 0.000 0.449 213 H N -0.543 118.227 119.070 -0.500 0.000 2.539 213 H HA 0.089 4.646 4.556 0.002 0.000 0.267 213 H C 1.247 176.374 175.328 -0.335 0.000 0.982 213 H CA 1.075 56.957 56.048 -0.276 0.000 1.146 213 H CB 0.103 29.767 29.762 -0.163 0.000 1.382 213 H HN 0.533 nan 8.280 nan 0.000 0.577 214 T N -2.426 111.805 114.554 -0.539 0.000 3.330 214 T HA 0.380 4.731 4.350 0.003 0.000 0.249 214 T C 1.412 175.900 174.700 -0.353 0.000 0.980 214 T CA 0.242 62.053 62.100 -0.482 0.000 0.920 214 T CB -0.193 68.239 68.868 -0.727 0.000 1.065 214 T HN 0.430 nan 8.240 nan 0.000 0.588 215 G N -0.455 108.205 108.800 -0.232 0.000 2.507 215 G HA2 -0.016 3.945 3.960 0.003 0.000 0.205 215 G HA3 -0.016 3.945 3.960 0.003 0.000 0.205 215 G C 0.926 175.838 174.900 0.020 0.000 0.996 215 G CA -0.088 44.966 45.100 -0.075 0.000 0.776 215 G HN 0.650 nan 8.290 nan 0.000 0.532 216 G N 0.132 108.900 108.800 -0.054 0.000 2.448 216 G HA2 0.511 4.473 3.960 0.003 0.000 0.218 216 G HA3 0.511 4.473 3.960 0.003 0.000 0.218 216 G C 1.256 176.274 174.900 0.195 0.000 1.135 216 G CA 1.659 46.815 45.100 0.094 0.000 0.784 216 G HN 2.013 nan 8.290 nan 0.000 0.543 217 G N -1.778 107.085 108.800 0.105 0.000 2.675 217 G HA2 0.442 4.404 3.960 0.003 0.000 0.686 217 G HA3 0.442 4.404 3.960 0.003 0.000 0.686 217 G C 0.270 175.189 174.900 0.032 0.000 1.215 217 G CA -0.326 44.811 45.100 0.061 0.000 0.777 217 G HN 1.002 nan 8.290 nan 0.000 0.638 218 G N -0.903 107.931 108.800 0.058 0.000 2.634 218 G HA2 0.641 4.603 3.960 0.003 0.000 0.255 218 G HA3 0.641 4.603 3.960 0.003 0.000 0.255 218 G C 1.574 176.514 174.900 0.068 0.000 1.205 218 G CA 1.333 46.472 45.100 0.065 0.000 0.884 218 G HN 2.593 nan 8.290 nan 0.000 0.549 219 G N -0.652 108.165 108.800 0.029 0.000 2.168 219 G HA2 -0.320 3.642 3.960 0.003 0.000 0.257 219 G HA3 -0.320 3.642 3.960 0.003 0.000 0.257 219 G C 0.792 175.587 174.900 -0.174 0.000 0.997 219 G CA 1.004 46.129 45.100 0.043 0.000 0.708 219 G HN 0.745 nan 8.290 nan 0.000 0.520 220 N N -1.141 117.324 118.700 -0.392 0.000 2.511 220 N HA 0.323 5.065 4.740 0.003 0.000 0.190 220 N C 1.370 176.493 175.510 -0.644 0.000 1.037 220 N CA 0.870 53.466 53.050 -0.757 0.000 0.895 220 N CB 0.031 37.621 38.487 -1.495 0.000 1.149 220 N HN 0.272 nan 8.380 nan 0.000 0.437 221 F N -0.495 119.357 119.950 -0.163 0.000 2.727 221 F HA 0.517 5.046 4.527 0.003 0.000 0.302 221 F C 1.171 176.801 175.800 -0.283 0.000 1.107 221 F CA 0.088 58.013 58.000 -0.125 0.000 1.277 221 F CB 0.704 39.618 39.000 -0.143 0.000 1.079 221 F HN 0.056 nan 8.300 nan 0.000 0.594 222 G N -0.155 108.255 108.800 -0.650 0.000 2.302 222 G HA2 0.256 4.218 3.960 0.003 0.000 0.264 222 G HA3 0.256 4.218 3.960 0.003 0.000 0.264 222 G C -1.947 172.505 174.900 -0.747 0.000 1.335 222 G CA -0.773 43.601 45.100 -1.209 0.000 0.982 222 G HN -0.147 nan 8.290 nan 0.000 0.473 223 V N 0.836 120.497 119.914 -0.422 0.000 2.357 223 V HA 0.519 4.641 4.120 0.003 0.000 0.284 223 V C 0.595 176.583 176.094 -0.176 0.000 1.018 223 V CA -0.707 61.467 62.300 -0.210 0.000 0.841 223 V CB 1.225 33.004 31.823 -0.073 0.000 0.991 223 V HN 0.760 nan 8.190 nan 0.000 0.437 224 V N 5.272 125.073 119.914 -0.190 0.000 2.446 224 V HA 0.106 4.228 4.120 0.003 0.000 0.276 224 V C 1.490 177.416 176.094 -0.280 0.000 1.030 224 V CA 0.873 62.972 62.300 -0.335 0.000 1.033 224 V CB 0.956 32.479 31.823 -0.500 0.000 0.993 224 V HN 1.104 nan 8.190 nan 0.000 0.477 225 T N 1.618 116.005 114.554 -0.279 0.000 3.015 225 T HA 0.279 4.631 4.350 0.003 0.000 0.250 225 T C 0.421 174.949 174.700 -0.287 0.000 1.057 225 T CA 0.012 61.986 62.100 -0.211 0.000 1.066 225 T CB 0.279 69.064 68.868 -0.139 0.000 0.959 225 T HN 0.580 nan 8.240 nan 0.000 0.488 226 K N 0.012 120.148 120.400 -0.440 0.000 2.527 226 K HA 0.536 4.858 4.320 0.003 0.000 0.260 226 K C -2.023 174.166 176.600 -0.685 0.000 0.937 226 K CA -0.816 55.121 56.287 -0.583 0.000 0.826 226 K CB 2.060 34.029 32.500 -0.884 0.000 1.359 226 K HN 0.094 nan 8.250 nan 0.000 0.434 227 Y N 0.278 120.345 120.300 -0.389 0.000 2.409 227 Y HA 0.425 4.976 4.550 0.002 0.000 0.339 227 Y C -0.390 175.336 175.900 -0.290 0.000 1.033 227 Y CA -0.564 57.418 58.100 -0.196 0.000 1.094 227 Y CB 1.601 40.032 38.460 -0.050 0.000 1.210 227 Y HN 0.325 nan 8.280 nan 0.000 0.456 228 W N 4.711 126.176 121.300 0.275 0.000 2.587 228 W HA 0.510 5.172 4.660 0.002 0.000 0.324 228 W C -1.163 175.558 176.519 0.336 0.000 1.040 228 W CA -0.953 56.551 57.345 0.264 0.000 1.222 228 W CB 2.073 31.678 29.460 0.242 0.000 1.381 228 W HN 0.305 nan 8.180 nan 0.000 0.483 229 M N 3.987 123.903 119.600 0.528 0.000 2.326 229 M HA 0.527 5.009 4.480 0.003 0.000 0.306 229 M C -0.452 176.116 176.300 0.447 0.000 1.054 229 M CA -0.697 54.869 55.300 0.443 0.000 0.922 229 M CB 2.401 35.184 32.600 0.306 0.000 1.632 229 M HN 0.418 nan 8.290 nan 0.000 0.436 230 R N 1.488 122.245 120.500 0.428 0.000 2.633 230 R HA 0.374 4.716 4.340 0.003 0.000 0.256 230 R C -1.758 174.749 176.300 0.345 0.000 1.131 230 R CA -0.445 55.854 56.100 0.331 0.000 0.994 230 R CB 2.182 32.596 30.300 0.190 0.000 1.261 230 R HN 0.565 nan 8.270 nan 0.000 0.446 231 V N 6.085 126.195 119.914 0.326 0.000 2.617 231 V HA 0.017 4.139 4.120 0.003 0.000 0.304 231 V C -1.400 174.749 176.094 0.092 0.000 1.040 231 V CA -0.569 61.882 62.300 0.251 0.000 1.149 231 V CB 1.367 33.320 31.823 0.218 0.000 0.914 231 V HN 0.704 nan 8.190 nan 0.000 0.487 232 P HA -0.013 nan 4.420 nan 0.000 0.223 232 P C 0.251 177.553 177.300 0.002 0.000 1.151 232 P CA 0.450 63.560 63.100 0.016 0.000 0.787 232 P CB 0.322 32.029 31.700 0.011 0.000 0.788 233 E N 0.083 120.293 120.200 0.017 0.000 2.416 233 E HA 0.123 4.474 4.350 0.003 0.000 0.254 233 E C 0.297 176.895 176.600 -0.004 0.000 1.241 233 E CA 0.040 56.447 56.400 0.012 0.000 0.969 233 E CB 0.001 29.719 29.700 0.029 0.000 0.999 233 E HN -0.023 nan 8.360 nan 0.000 0.481 234 D N 0.686 121.082 120.400 -0.007 0.000 2.392 234 D HA 0.160 4.802 4.640 0.003 0.000 0.228 234 D C -0.533 175.763 176.300 -0.007 0.000 1.074 234 D CA -0.277 53.712 54.000 -0.018 0.000 0.838 234 D CB 1.106 41.894 40.800 -0.020 0.000 1.067 234 D HN 0.283 nan 8.370 nan 0.000 0.511 235 V N 1.282 121.191 119.914 -0.007 0.000 3.111 235 V HA 0.524 4.645 4.120 0.003 0.000 0.343 235 V C 0.922 177.012 176.094 -0.007 0.000 1.417 235 V CA 0.323 62.625 62.300 0.002 0.000 1.142 235 V CB -0.021 31.812 31.823 0.017 0.000 1.114 235 V HN 0.719 nan 8.190 nan 0.000 0.520 236 G N 2.134 110.925 108.800 -0.015 0.000 2.525 236 G HA2 -0.250 3.711 3.960 0.003 0.000 0.248 236 G HA3 -0.250 3.711 3.960 0.003 0.000 0.248 236 G C 0.153 175.040 174.900 -0.022 0.000 1.238 236 G CA 0.314 45.404 45.100 -0.018 0.000 0.926 236 G HN 0.552 nan 8.290 nan 0.000 0.574 237 R N 0.529 121.015 120.500 -0.023 0.000 2.690 237 R HA 0.224 4.566 4.340 0.003 0.000 0.419 237 R C 0.385 176.627 176.300 -0.097 0.000 1.090 237 R CA -0.006 56.082 56.100 -0.020 0.000 1.064 237 R CB 0.178 30.490 30.300 0.021 0.000 1.391 237 R HN 0.497 nan 8.270 nan 0.000 0.586 238 N N 1.481 120.127 118.700 -0.089 0.000 2.420 238 N HA 0.134 4.876 4.740 0.003 0.000 0.249 238 N C -2.002 173.426 175.510 -0.137 0.000 1.033 238 N CA -1.986 51.002 53.050 -0.104 0.000 0.944 238 N CB 1.316 39.782 38.487 -0.036 0.000 1.113 238 N HN -0.175 nan 8.380 nan 0.000 0.502 239 P HA -0.128 nan 4.420 nan 0.000 0.218 239 P C 0.415 177.796 177.300 0.136 0.000 1.149 239 P CA 1.098 63.992 63.100 -0.343 0.000 0.817 239 P CB 0.236 31.483 31.700 -0.756 0.000 0.785 240 E N -0.629 119.684 120.200 0.188 0.000 2.267 240 E HA -0.199 4.153 4.350 0.003 0.000 0.197 240 E C 1.972 178.640 176.600 0.113 0.000 0.998 240 E CA 0.815 57.336 56.400 0.201 0.000 0.830 240 E CB -0.267 29.514 29.700 0.135 0.000 0.751 240 E HN 0.194 nan 8.360 nan 0.000 0.491 241 R N 0.137 120.684 120.500 0.077 0.000 2.312 241 R HA 0.136 4.478 4.340 0.003 0.000 0.205 241 R C 1.837 178.183 176.300 0.076 0.000 0.904 241 R CA -0.057 56.075 56.100 0.054 0.000 1.052 241 R CB 0.346 30.664 30.300 0.030 0.000 1.014 241 R HN 0.095 nan 8.270 nan 0.000 0.503 242 L N 0.049 121.351 121.223 0.133 0.000 2.418 242 L HA 0.172 4.514 4.340 0.003 0.000 0.218 242 L C 0.216 177.221 176.870 0.224 0.000 1.125 242 L CA 0.573 55.523 54.840 0.183 0.000 0.835 242 L CB 0.198 42.362 42.059 0.176 0.000 0.953 242 L HN 0.087 nan 8.230 nan 0.000 0.454 243 L N -1.171 120.127 121.223 0.125 0.000 2.376 243 L HA 0.462 4.804 4.340 0.003 0.000 0.258 243 L C -2.400 174.328 176.870 -0.236 0.000 1.013 243 L CA -2.056 52.735 54.840 -0.082 0.000 0.822 243 L CB 2.266 44.190 42.059 -0.224 0.000 1.388 243 L HN -0.295 nan 8.230 nan 0.000 0.413 244 P HA -0.017 nan 4.420 nan 0.000 0.267 244 P C -1.302 175.621 177.300 -0.628 0.000 1.200 244 P CA -0.141 62.480 63.100 -0.798 0.000 0.772 244 P CB 0.506 31.165 31.700 -1.736 0.000 0.855 245 K N 4.016 124.137 120.400 -0.466 0.000 2.262 245 K HA 0.281 4.603 4.320 0.003 0.000 0.282 245 K C -2.198 174.232 176.600 -0.284 0.000 1.066 245 K CA -2.141 53.994 56.287 -0.254 0.000 0.901 245 K CB 0.390 32.834 32.500 -0.094 0.000 1.089 245 K HN 0.296 nan 8.250 nan 0.000 0.476 246 P HA 0.121 nan 4.420 nan 0.000 0.271 246 P C -2.629 174.346 177.300 -0.542 0.000 1.218 246 P CA -1.329 61.300 63.100 -0.784 0.000 0.780 246 P CB 0.007 30.692 31.700 -1.691 0.000 0.901 247 P HA -0.027 nan 4.420 nan 0.000 0.264 247 P C 0.791 177.997 177.300 -0.158 0.000 1.193 247 P CA 0.243 63.226 63.100 -0.195 0.000 0.763 247 P CB 0.371 32.016 31.700 -0.092 0.000 0.810 248 A N 4.004 126.814 122.820 -0.018 0.000 1.917 248 A HA -0.082 4.240 4.320 0.003 0.000 0.219 248 A C 1.143 178.810 177.584 0.138 0.000 1.182 248 A CA 2.130 54.224 52.037 0.095 0.000 0.633 248 A CB -1.131 17.923 19.000 0.091 0.000 0.819 248 A HN 0.693 nan 8.150 nan 0.000 0.448 249 T N -3.697 110.917 114.554 0.101 0.000 2.906 249 T HA 0.643 4.994 4.350 0.003 0.000 0.295 249 T C -0.945 173.820 174.700 0.108 0.000 1.075 249 T CA -0.925 61.243 62.100 0.113 0.000 1.005 249 T CB 1.522 70.439 68.868 0.081 0.000 1.136 249 T HN 0.039 nan 8.240 nan 0.000 0.498 250 L N 2.107 123.399 121.223 0.115 0.000 2.365 250 L HA 0.570 4.911 4.340 0.003 0.000 0.273 250 L C -0.509 176.406 176.870 0.074 0.000 1.000 250 L CA -0.968 53.935 54.840 0.106 0.000 0.819 250 L CB 1.320 43.461 42.059 0.137 0.000 1.284 250 L HN 0.760 nan 8.230 nan 0.000 0.418 251 L N 3.403 124.664 121.223 0.064 0.000 2.283 251 L HA 0.471 4.812 4.340 0.003 0.000 0.287 251 L C 0.577 177.478 176.870 0.053 0.000 1.073 251 L CA 0.348 55.217 54.840 0.049 0.000 0.822 251 L CB 0.902 42.984 42.059 0.039 0.000 1.186 251 L HN 0.888 nan 8.230 nan 0.000 0.436 252 T N 1.116 115.695 114.554 0.043 0.000 2.940 252 T HA 0.853 5.204 4.350 0.003 0.000 0.288 252 T C -0.309 174.401 174.700 0.017 0.000 1.045 252 T CA -0.674 61.451 62.100 0.041 0.000 1.018 252 T CB 1.739 70.634 68.868 0.045 0.000 1.151 252 T HN 0.626 nan 8.240 nan 0.000 0.529 253 S N -0.245 115.459 115.700 0.007 0.000 2.578 253 S HA 0.488 4.959 4.470 0.003 0.000 0.285 253 S C -1.588 172.991 174.600 -0.034 0.000 1.126 253 S CA -0.707 57.482 58.200 -0.018 0.000 0.878 253 S CB 1.299 64.487 63.200 -0.020 0.000 1.091 253 S HN 0.970 nan 8.310 nan 0.000 0.450 254 T N 3.633 118.152 114.554 -0.059 0.000 2.809 254 T HA 0.447 4.798 4.350 0.003 0.000 0.296 254 T C -0.326 174.286 174.700 -0.147 0.000 1.015 254 T CA -0.389 61.660 62.100 -0.084 0.000 0.954 254 T CB 1.092 69.918 68.868 -0.070 0.000 0.950 254 T HN 0.557 nan 8.240 nan 0.000 0.450 255 V N 4.203 123.997 119.914 -0.200 0.000 2.614 255 V HA 0.331 4.452 4.120 0.003 0.000 0.291 255 V C 0.740 176.484 176.094 -0.583 0.000 1.049 255 V CA 0.027 62.091 62.300 -0.393 0.000 1.038 255 V CB 1.197 32.760 31.823 -0.433 0.000 0.980 255 V HN 0.893 nan 8.190 nan 0.000 0.481 256 T N 5.331 119.471 114.554 -0.689 0.000 2.885 256 T HA 0.725 5.076 4.350 0.003 0.000 0.285 256 T C -0.886 173.255 174.700 -0.931 0.000 1.019 256 T CA -0.132 61.599 62.100 -0.615 0.000 1.010 256 T CB 1.078 69.782 68.868 -0.273 0.000 1.022 256 T HN 0.325 nan 8.240 nan 0.000 0.466 257 F N 1.109 120.844 119.950 -0.359 0.000 2.540 257 F HA 0.408 4.936 4.527 0.003 0.000 0.317 257 F C 0.087 175.625 175.800 -0.437 0.000 1.104 257 F CA -1.168 56.472 58.000 -0.600 0.000 0.913 257 F CB 1.467 39.619 39.000 -1.413 0.000 1.170 257 F HN 0.349 nan 8.300 nan 0.000 0.450 258 D N 2.261 122.589 120.400 -0.120 0.000 2.317 258 D HA 0.102 4.744 4.640 0.003 0.000 0.234 258 D C 0.532 176.885 176.300 0.089 0.000 1.112 258 D CA -0.329 53.680 54.000 0.014 0.000 0.840 258 D CB 0.697 41.517 40.800 0.034 0.000 1.078 258 D HN 0.557 nan 8.370 nan 0.000 0.486 259 W N 3.126 124.561 121.300 0.224 0.000 2.305 259 W HA -0.309 4.353 4.660 0.003 0.000 0.308 259 W C 2.321 178.936 176.519 0.160 0.000 1.226 259 W CA 1.361 58.863 57.345 0.261 0.000 1.253 259 W CB -0.100 29.498 29.460 0.230 0.000 1.146 259 W HN 0.619 nan 8.180 nan 0.000 0.507 260 A N -0.108 122.921 122.820 0.348 0.000 1.933 260 A HA -0.088 4.233 4.320 0.003 0.000 0.218 260 A C 2.134 179.821 177.584 0.172 0.000 1.175 260 A CA 1.871 54.039 52.037 0.217 0.000 0.628 260 A CB -1.351 17.738 19.000 0.147 0.000 0.814 260 A HN 0.333 nan 8.150 nan 0.000 0.444 261 G N -2.096 106.790 108.800 0.143 0.000 3.042 261 G HA2 0.293 4.255 3.960 0.003 0.000 0.212 261 G HA3 0.293 4.255 3.960 0.003 0.000 0.212 261 G C 0.490 175.456 174.900 0.111 0.000 1.166 261 G CA 0.030 45.190 45.100 0.101 0.000 0.767 261 G HN 0.362 nan 8.290 nan 0.000 0.546 262 M N 3.370 123.072 119.600 0.170 0.000 2.264 262 M HA 0.262 4.743 4.480 0.003 0.000 0.340 262 M C 0.918 177.378 176.300 0.266 0.000 1.420 262 M CA -0.260 55.160 55.300 0.200 0.000 1.254 262 M CB 0.211 32.953 32.600 0.236 0.000 1.575 262 M HN 0.128 nan 8.290 nan 0.000 0.452 263 T N -0.401 114.247 114.554 0.157 0.000 2.828 263 T HA 0.189 4.540 4.350 0.003 0.000 0.290 263 T C 1.042 175.732 174.700 -0.016 0.000 1.019 263 T CA -0.533 61.630 62.100 0.106 0.000 1.031 263 T CB 0.825 69.722 68.868 0.048 0.000 1.001 263 T HN 0.749 nan 8.240 nan 0.000 0.531 264 E N 0.883 120.924 120.200 -0.266 0.000 2.086 264 E HA -0.237 4.114 4.350 0.003 0.000 0.200 264 E C 2.356 178.804 176.600 -0.254 0.000 1.012 264 E CA 1.497 57.463 56.400 -0.723 0.000 0.812 264 E CB -0.632 28.684 29.700 -0.640 0.000 0.743 264 E HN 0.826 nan 8.360 nan 0.000 0.453 265 A N 0.929 123.679 122.820 -0.117 0.000 1.908 265 A HA -0.164 4.158 4.320 0.003 0.000 0.218 265 A C 2.382 179.954 177.584 -0.019 0.000 1.181 265 A CA 2.041 54.049 52.037 -0.048 0.000 0.627 265 A CB -0.841 18.143 19.000 -0.026 0.000 0.818 265 A HN 0.430 nan 8.150 nan 0.000 0.445 266 A N -1.498 121.323 122.820 0.002 0.000 1.930 266 A HA 0.006 4.328 4.320 0.003 0.000 0.217 266 A C 2.048 179.641 177.584 0.014 0.000 1.175 266 A CA 1.538 53.580 52.037 0.008 0.000 0.627 266 A CB -0.636 18.378 19.000 0.023 0.000 0.815 266 A HN 0.688 nan 8.150 nan 0.000 0.443 267 F N 1.074 120.973 119.950 -0.084 0.000 2.128 267 F HA -0.104 4.425 4.527 0.002 0.000 0.295 267 F C 2.545 178.317 175.800 -0.047 0.000 1.100 267 F CA 1.864 59.842 58.000 -0.036 0.000 1.260 267 F CB -0.338 38.704 39.000 0.069 0.000 1.009 267 F HN 0.184 nan 8.300 nan 0.000 0.476 268 S N 0.388 116.123 115.700 0.058 0.000 2.370 268 S HA -0.248 4.224 4.470 0.003 0.000 0.226 268 S C 1.964 176.509 174.600 -0.090 0.000 1.033 268 S CA 1.588 59.774 58.200 -0.024 0.000 1.011 268 S CB -0.435 62.781 63.200 0.027 0.000 0.852 268 S HN 0.394 nan 8.310 nan 0.000 0.457 269 R N 1.373 121.829 120.500 -0.073 0.000 2.115 269 R HA 0.068 4.409 4.340 0.003 0.000 0.226 269 R C 2.064 178.304 176.300 -0.099 0.000 1.100 269 R CA 0.916 56.977 56.100 -0.064 0.000 0.980 269 R CB -0.836 29.439 30.300 -0.042 0.000 0.875 269 R HN 0.365 nan 8.270 nan 0.000 0.445 270 L N 0.065 121.184 121.223 -0.173 0.000 1.989 270 L HA -0.055 4.286 4.340 0.003 0.000 0.211 270 L C 1.748 178.494 176.870 -0.207 0.000 1.071 270 L CA 1.773 56.472 54.840 -0.235 0.000 0.749 270 L CB -0.676 41.131 42.059 -0.420 0.000 0.890 270 L HN 0.288 nan 8.230 nan 0.000 0.431 271 L N -0.503 120.543 121.223 -0.295 0.000 2.093 271 L HA -0.109 4.233 4.340 0.003 0.000 0.208 271 L C 2.749 179.600 176.870 -0.032 0.000 1.085 271 L CA 1.538 56.255 54.840 -0.205 0.000 0.755 271 L CB -0.687 41.174 42.059 -0.330 0.000 0.904 271 L HN 0.218 nan 8.230 nan 0.000 0.435 272 R N -0.478 119.998 120.500 -0.041 0.000 2.083 272 R HA -0.166 4.176 4.340 0.003 0.000 0.237 272 R C 2.099 178.423 176.300 0.041 0.000 1.137 272 R CA 1.903 58.008 56.100 0.009 0.000 0.951 272 R CB -0.508 29.791 30.300 -0.003 0.000 0.851 272 R HN 0.535 nan 8.270 nan 0.000 0.434 273 N N -0.664 118.052 118.700 0.028 0.000 2.104 273 N HA -0.219 4.522 4.740 0.003 0.000 0.190 273 N C 1.929 177.511 175.510 0.120 0.000 1.024 273 N CA 1.006 54.088 53.050 0.053 0.000 0.853 273 N CB -0.184 38.309 38.487 0.010 0.000 1.008 273 N HN 0.320 nan 8.380 nan 0.000 0.424 274 H N 0.431 119.518 119.070 0.029 0.000 2.333 274 H HA -0.004 4.554 4.556 0.002 0.000 0.302 274 H C 2.051 177.531 175.328 0.254 0.000 1.075 274 H CA 1.779 57.893 56.048 0.109 0.000 1.348 274 H CB -0.302 29.465 29.762 0.008 0.000 1.393 274 H HN 0.215 nan 8.280 nan 0.000 0.509 275 G N 0.501 109.427 108.800 0.210 0.000 2.402 275 G HA2 -0.215 3.746 3.960 0.003 0.000 0.216 275 G HA3 -0.215 3.746 3.960 0.003 0.000 0.216 275 G C 1.659 176.643 174.900 0.140 0.000 1.162 275 G CA 0.633 45.833 45.100 0.166 0.000 0.777 275 G HN 0.495 nan 8.290 nan 0.000 0.539 276 E N -0.869 119.399 120.200 0.113 0.000 2.204 276 E HA -0.104 4.247 4.350 0.003 0.000 0.194 276 E C 1.972 178.602 176.600 0.050 0.000 0.989 276 E CA 0.377 56.819 56.400 0.070 0.000 0.824 276 E CB -0.169 29.560 29.700 0.049 0.000 0.756 276 E HN 0.648 nan 8.360 nan 0.000 0.477 277 W N 0.364 121.623 121.300 -0.068 0.000 2.355 277 W HA -0.237 4.424 4.660 0.002 0.000 0.309 277 W C 1.555 177.952 176.519 -0.203 0.000 1.206 277 W CA 1.513 58.767 57.345 -0.152 0.000 1.284 277 W CB -0.271 29.071 29.460 -0.197 0.000 1.145 277 W HN 0.068 nan 8.180 nan 0.000 0.502 278 Y N 0.743 121.098 120.300 0.091 0.000 2.224 278 Y HA -0.224 4.328 4.550 0.003 0.000 0.289 278 Y C 2.394 178.229 175.900 -0.107 0.000 1.146 278 Y CA 2.169 60.268 58.100 -0.002 0.000 1.182 278 Y CB -0.726 37.763 38.460 0.049 0.000 0.983 278 Y HN 0.040 nan 8.280 nan 0.000 0.524 279 E N -0.201 120.029 120.200 0.050 0.000 2.130 279 E HA -0.240 4.111 4.350 0.003 0.000 0.196 279 E C 2.100 178.633 176.600 -0.112 0.000 0.998 279 E CA 1.281 57.676 56.400 -0.007 0.000 0.806 279 E CB -0.146 29.558 29.700 0.007 0.000 0.738 279 E HN 0.507 nan 8.360 nan 0.000 0.459 280 R N -0.013 120.340 120.500 -0.245 0.000 2.140 280 R HA 0.105 4.447 4.340 0.003 0.000 0.213 280 R C 0.955 176.999 176.300 -0.426 0.000 1.059 280 R CA 0.479 56.394 56.100 -0.309 0.000 1.000 280 R CB 0.245 30.329 30.300 -0.360 0.000 0.910 280 R HN 0.063 nan 8.270 nan 0.000 0.455 281 N N 0.100 118.387 118.700 -0.689 0.000 2.338 281 N HA 0.118 4.860 4.740 0.003 0.000 0.251 281 N C -0.421 174.825 175.510 -0.439 0.000 1.199 281 N CA 0.127 52.701 53.050 -0.792 0.000 0.879 281 N CB 1.612 38.950 38.487 -1.914 0.000 1.159 281 N HN -0.063 nan 8.380 nan 0.000 0.514 282 S N -0.345 115.227 115.700 -0.214 0.000 2.664 282 S HA 0.238 4.710 4.470 0.003 0.000 0.245 282 S C 0.908 175.502 174.600 -0.010 0.000 1.019 282 S CA -0.633 57.545 58.200 -0.037 0.000 0.996 282 S CB 0.923 64.185 63.200 0.104 0.000 0.878 282 S HN 0.344 nan 8.310 nan 0.000 0.493 283 G N 2.554 111.331 108.800 -0.038 0.000 2.504 283 G HA2 0.419 4.380 3.960 0.003 0.000 0.288 283 G HA3 0.419 4.380 3.960 0.003 0.000 0.288 283 G C -1.570 173.322 174.900 -0.013 0.000 1.182 283 G CA -1.430 43.657 45.100 -0.021 0.000 0.894 283 G HN 0.036 nan 8.290 nan 0.000 0.521 284 P HA -0.021 nan 4.420 nan 0.000 0.223 284 P C 0.373 177.666 177.300 -0.012 0.000 1.151 284 P CA 0.926 64.021 63.100 -0.008 0.000 0.787 284 P CB 0.532 32.231 31.700 -0.002 0.000 0.788 285 D N -0.790 119.602 120.400 -0.014 0.000 2.360 285 D HA 0.013 4.654 4.640 0.003 0.000 0.210 285 D C 0.741 177.027 176.300 -0.024 0.000 1.047 285 D CA 0.276 54.266 54.000 -0.018 0.000 0.854 285 D CB 0.003 40.794 40.800 -0.014 0.000 0.936 285 D HN 0.083 nan 8.370 nan 0.000 0.514 286 S N 2.122 117.810 115.700 -0.019 0.000 2.558 286 S HA 0.008 4.480 4.470 0.003 0.000 0.293 286 S C -1.289 173.294 174.600 -0.029 0.000 1.292 286 S CA -0.948 57.247 58.200 -0.009 0.000 1.063 286 S CB 1.163 64.370 63.200 0.012 0.000 0.831 286 S HN -0.049 nan 8.310 nan 0.000 0.499 287 P HA -0.056 nan 4.420 nan 0.000 0.228 287 P C 0.105 177.270 177.300 -0.224 0.000 1.151 287 P CA 1.031 64.020 63.100 -0.186 0.000 0.770 287 P CB -0.146 31.384 31.700 -0.284 0.000 0.786 288 Y N 0.506 120.806 120.300 0.000 0.000 2.470 288 Y HA 0.011 4.563 4.550 0.003 0.000 0.302 288 Y C 2.288 178.204 175.900 0.027 0.000 1.194 288 Y CA 0.724 58.853 58.100 0.050 0.000 1.271 288 Y CB -1.114 37.416 38.460 0.118 0.000 1.092 288 Y HN 0.058 nan 8.280 nan 0.000 0.513 289 T N -4.588 110.014 114.554 0.079 0.000 2.867 289 T HA -0.103 4.249 4.350 0.003 0.000 0.268 289 T C 2.235 176.948 174.700 0.022 0.000 1.057 289 T CA 1.157 63.278 62.100 0.036 0.000 1.136 289 T CB -0.518 68.328 68.868 -0.037 0.000 0.874 289 T HN 0.419 nan 8.240 nan 0.000 0.466 290 G N 0.677 109.480 108.800 0.004 0.000 2.679 290 G HA2 0.269 4.231 3.960 0.003 0.000 0.212 290 G HA3 0.269 4.231 3.960 0.003 0.000 0.212 290 G C 0.357 175.311 174.900 0.089 0.000 1.137 290 G CA -0.202 44.899 45.100 0.001 0.000 0.787 290 G HN 0.582 nan 8.290 nan 0.000 0.534 291 L N 0.306 121.621 121.223 0.153 0.000 2.325 291 L HA 0.679 5.020 4.340 0.003 0.000 0.279 291 L C -0.778 176.257 176.870 0.274 0.000 1.054 291 L CA -1.256 53.684 54.840 0.166 0.000 0.804 291 L CB 1.539 43.678 42.059 0.134 0.000 1.200 291 L HN 0.223 nan 8.230 nan 0.000 0.436 292 W N 5.618 126.948 121.300 0.051 0.000 3.138 292 W HA 0.662 5.323 4.660 0.002 0.000 0.331 292 W C -1.833 174.752 176.519 0.110 0.000 1.166 292 W CA -0.455 56.967 57.345 0.129 0.000 1.212 292 W CB 1.914 31.458 29.460 0.140 0.000 1.399 292 W HN 0.737 nan 8.180 nan 0.000 0.514 293 S N 3.199 118.201 115.700 -1.163 0.000 2.587 293 S HA 0.587 5.058 4.470 0.003 0.000 0.269 293 S C -1.713 172.308 174.600 -0.965 0.000 1.154 293 S CA -0.928 56.736 58.200 -0.893 0.000 0.824 293 S CB 2.078 65.139 63.200 -0.231 0.000 1.118 293 S HN 0.558 nan 8.310 nan 0.000 0.462 294 Q N 1.263 120.732 119.800 -0.553 0.000 2.285 294 Q HA 0.543 4.885 4.340 0.003 0.000 0.269 294 Q C -1.437 174.415 176.000 -0.246 0.000 1.030 294 Q CA -0.816 54.768 55.803 -0.364 0.000 0.788 294 Q CB 1.996 30.547 28.738 -0.311 0.000 1.266 294 Q HN 0.694 nan 8.270 nan 0.000 0.438 295 L N 3.986 125.074 121.223 -0.226 0.000 2.363 295 L HA 0.318 4.660 4.340 0.003 0.000 0.286 295 L C -0.770 175.998 176.870 -0.170 0.000 1.106 295 L CA -0.148 54.561 54.840 -0.218 0.000 0.859 295 L CB 0.351 42.120 42.059 -0.482 0.000 1.223 295 L HN 0.720 nan 8.230 nan 0.000 0.446 296 M N 6.615 126.119 119.600 -0.160 0.000 2.111 296 M HA 0.337 4.818 4.480 0.003 0.000 0.351 296 M C -0.437 175.905 176.300 0.070 0.000 1.214 296 M CA 0.078 55.271 55.300 -0.178 0.000 1.120 296 M CB 0.803 33.110 32.600 -0.488 0.000 1.443 296 M HN 0.391 nan 8.290 nan 0.000 0.429 297 I N 3.150 123.753 120.570 0.054 0.000 2.316 297 I HA 0.438 4.610 4.170 0.003 0.000 0.286 297 I C 0.604 176.781 176.117 0.100 0.000 1.107 297 I CA -0.342 60.806 61.300 -0.253 0.000 1.219 297 I CB 0.217 38.064 38.000 -0.255 0.000 1.455 297 I HN 0.719 nan 8.210 nan 0.000 0.498 298 G N 3.503 112.453 108.800 0.249 0.000 2.537 298 G HA2 0.207 4.169 3.960 0.003 0.000 0.308 298 G HA3 0.207 4.169 3.960 0.003 0.000 0.308 298 G C -0.586 174.559 174.900 0.409 0.000 1.237 298 G CA -0.675 44.604 45.100 0.298 0.000 0.968 298 G HN 0.444 nan 8.290 nan 0.000 0.481 299 N N 0.935 119.690 118.700 0.092 0.000 2.232 299 N HA -0.085 4.656 4.740 0.003 0.000 0.251 299 N C 0.238 175.902 175.510 0.257 0.000 1.242 299 N CA 0.209 53.275 53.050 0.027 0.000 0.837 299 N CB 0.680 39.115 38.487 -0.086 0.000 1.079 299 N HN 0.571 nan 8.380 nan 0.000 0.461 300 E N 3.389 123.690 120.200 0.168 0.000 2.003 300 E HA 0.129 4.480 4.350 0.003 0.000 0.279 300 E C -0.837 175.838 176.600 0.125 0.000 1.132 300 E CA -0.511 56.008 56.400 0.198 0.000 0.888 300 E CB 0.135 29.952 29.700 0.194 0.000 1.056 300 E HN 0.142 nan 8.360 nan 0.000 0.399 301 V N 6.537 126.535 119.914 0.139 0.000 2.347 301 V HA 0.159 4.281 4.120 0.003 0.000 0.280 301 V C -1.173 174.947 176.094 0.044 0.000 1.021 301 V CA -1.515 60.832 62.300 0.077 0.000 0.847 301 V CB 1.363 33.220 31.823 0.057 0.000 0.990 301 V HN 0.540 nan 8.190 nan 0.000 0.444 302 P HA -0.100 nan 4.420 nan 0.000 0.216 302 P C 1.435 178.739 177.300 0.006 0.000 1.150 302 P CA 1.467 64.579 63.100 0.021 0.000 0.837 302 P CB 0.318 32.026 31.700 0.013 0.000 0.786 303 G N -1.202 107.594 108.800 -0.007 0.000 2.744 303 G HA2 0.062 4.024 3.960 0.003 0.000 0.211 303 G HA3 0.062 4.024 3.960 0.003 0.000 0.211 303 G C 0.738 175.618 174.900 -0.033 0.000 1.143 303 G CA 0.048 45.135 45.100 -0.022 0.000 0.788 303 G HN 0.245 nan 8.290 nan 0.000 0.534 304 M N 0.041 119.622 119.600 -0.033 0.000 2.404 304 M HA 0.435 4.916 4.480 0.003 0.000 0.338 304 M C 1.115 177.407 176.300 -0.014 0.000 1.150 304 M CA -0.524 54.749 55.300 -0.046 0.000 1.016 304 M CB 2.478 35.018 32.600 -0.100 0.000 1.672 304 M HN -0.039 nan 8.290 nan 0.000 0.448 305 G N 0.280 109.072 108.800 -0.014 0.000 3.189 305 G HA2 0.078 4.039 3.960 0.003 0.000 0.225 305 G HA3 0.078 4.039 3.960 0.003 0.000 0.225 305 G C 0.689 175.594 174.900 0.008 0.000 1.159 305 G CA 0.124 45.224 45.100 0.000 0.000 0.763 305 G HN 0.699 nan 8.290 nan 0.000 0.549 306 E N 0.173 120.377 120.200 0.007 0.000 2.641 306 E HA 0.153 4.504 4.350 0.003 0.000 0.224 306 E C 1.450 178.094 176.600 0.073 0.000 0.951 306 E CA -0.058 56.358 56.400 0.026 0.000 1.102 306 E CB 0.483 30.202 29.700 0.031 0.000 1.091 306 E HN 0.313 nan 8.360 nan 0.000 0.507 307 S N -1.038 114.696 115.700 0.058 0.000 2.625 307 S HA 0.718 5.189 4.470 0.003 0.000 0.262 307 S C 1.097 175.861 174.600 0.273 0.000 1.223 307 S CA -0.068 58.232 58.200 0.167 0.000 0.993 307 S CB 0.627 63.886 63.200 0.097 0.000 1.051 307 S HN 0.477 nan 8.310 nan 0.000 0.562 308 G N -0.198 108.839 108.800 0.394 0.000 2.681 308 G HA2 -0.164 3.797 3.960 0.003 0.000 0.220 308 G HA3 -0.164 3.797 3.960 0.003 0.000 0.220 308 G C -0.618 174.556 174.900 0.455 0.000 1.353 308 G CA -0.195 45.156 45.100 0.419 0.000 0.872 308 G HN 1.249 nan 8.290 nan 0.000 0.557 309 F N 2.040 122.123 119.950 0.221 0.000 2.311 309 F HA 0.681 5.210 4.527 0.003 0.000 0.371 309 F C 0.769 176.677 175.800 0.181 0.000 1.083 309 F CA -0.910 57.154 58.000 0.107 0.000 1.113 309 F CB 0.271 39.094 39.000 -0.295 0.000 1.349 309 F HN 0.704 nan 8.300 nan 0.000 0.470 310 M N 5.362 125.268 119.600 0.509 0.000 2.569 310 M HA 0.505 4.986 4.480 0.003 0.000 0.279 310 M C -1.659 174.757 176.300 0.193 0.000 1.253 310 M CA -0.947 54.500 55.300 0.244 0.000 0.867 310 M CB 2.882 35.531 32.600 0.081 0.000 1.727 310 M HN 0.473 nan 8.290 nan 0.000 0.467 311 M N 3.278 122.928 119.600 0.084 0.000 1.949 311 M HA 0.440 4.922 4.480 0.003 0.000 0.234 311 M C -2.771 173.501 176.300 -0.046 0.000 0.855 311 M CA -1.436 53.889 55.300 0.041 0.000 0.800 311 M CB 1.649 34.354 32.600 0.176 0.000 1.697 311 M HN 0.403 nan 8.290 nan 0.000 0.357 312 P HA 0.294 nan 4.420 nan 0.000 0.271 312 P C -1.097 176.150 177.300 -0.088 0.000 1.220 312 P CA 0.252 63.310 63.100 -0.069 0.000 0.768 312 P CB 0.689 32.355 31.700 -0.057 0.000 0.848 313 I N 2.837 123.383 120.570 -0.040 0.000 2.608 313 I HA 0.415 4.587 4.170 0.003 0.000 0.295 313 I C 0.128 176.273 176.117 0.046 0.000 1.049 313 I CA -0.932 60.342 61.300 -0.042 0.000 1.063 313 I CB 2.326 40.320 38.000 -0.011 0.000 1.248 313 I HN 0.338 nan 8.210 nan 0.000 0.424 314 Q N 4.613 124.486 119.800 0.122 0.000 2.347 314 Q HA 0.788 5.130 4.340 0.003 0.000 0.271 314 Q C -1.895 174.199 176.000 0.156 0.000 1.064 314 Q CA -0.844 55.064 55.803 0.174 0.000 0.800 314 Q CB 3.201 32.102 28.738 0.272 0.000 1.304 314 Q HN 0.475 nan 8.270 nan 0.000 0.438 315 V N 1.538 121.517 119.914 0.108 0.000 2.680 315 V HA 0.307 4.428 4.120 0.003 0.000 0.309 315 V C -1.126 175.014 176.094 0.078 0.000 1.052 315 V CA -0.673 61.680 62.300 0.089 0.000 0.908 315 V CB 1.994 33.853 31.823 0.060 0.000 1.001 315 V HN 0.990 nan 8.190 nan 0.000 0.431 316 D N 4.852 125.286 120.400 0.057 0.000 2.389 316 D HA 0.209 4.851 4.640 0.003 0.000 0.263 316 D C 0.723 177.036 176.300 0.022 0.000 1.255 316 D CA 0.660 54.678 54.000 0.031 0.000 0.914 316 D CB 1.642 42.436 40.800 -0.010 0.000 1.116 316 D HN 0.740 nan 8.370 nan 0.000 0.502 317 A N 3.355 126.195 122.820 0.033 0.000 2.278 317 A HA -0.004 4.318 4.320 0.003 0.000 0.212 317 A C 1.876 179.471 177.584 0.018 0.000 1.213 317 A CA 0.514 52.568 52.037 0.028 0.000 0.840 317 A CB -0.165 18.858 19.000 0.039 0.000 0.866 317 A HN 0.609 nan 8.150 nan 0.000 0.489 318 T N -0.482 114.079 114.554 0.011 0.000 2.809 318 T HA -0.004 4.348 4.350 0.003 0.000 0.260 318 T C 1.144 175.844 174.700 0.000 0.000 1.039 318 T CA 0.432 62.536 62.100 0.007 0.000 1.141 318 T CB -0.250 68.621 68.868 0.005 0.000 0.869 318 T HN 0.487 nan 8.240 nan 0.000 0.437 319 R N 1.993 122.488 120.500 -0.009 0.000 2.537 319 R HA 0.113 4.454 4.340 0.003 0.000 0.280 319 R C -1.649 174.644 176.300 -0.012 0.000 1.058 319 R CA -1.194 54.897 56.100 -0.015 0.000 1.057 319 R CB 0.538 30.819 30.300 -0.030 0.000 0.973 319 R HN 0.369 nan 8.270 nan 0.000 0.438 320 P HA -0.115 nan 4.420 nan 0.000 0.236 320 P C -0.255 177.040 177.300 -0.008 0.000 1.172 320 P CA 1.164 64.260 63.100 -0.006 0.000 0.759 320 P CB 0.178 31.875 31.700 -0.006 0.000 0.843 321 D N -1.734 118.655 120.400 -0.017 0.000 2.538 321 D HA 0.192 4.834 4.640 0.003 0.000 0.231 321 D C 1.266 177.552 176.300 -0.023 0.000 1.229 321 D CA -0.312 53.675 54.000 -0.022 0.000 0.828 321 D CB 0.153 40.930 40.800 -0.038 0.000 1.035 321 D HN -0.035 nan 8.370 nan 0.000 0.495 322 A N 1.518 124.331 122.820 -0.012 0.000 1.940 322 A HA -0.206 4.115 4.320 0.003 0.000 0.219 322 A C 2.340 179.933 177.584 0.015 0.000 1.176 322 A CA 1.329 53.366 52.037 -0.001 0.000 0.631 322 A CB -0.518 18.488 19.000 0.009 0.000 0.814 322 A HN 0.195 nan 8.150 nan 0.000 0.446 323 R N -1.017 119.492 120.500 0.015 0.000 2.062 323 R HA -0.047 4.294 4.340 0.003 0.000 0.229 323 R C 2.472 178.792 176.300 0.032 0.000 1.128 323 R CA 0.965 57.079 56.100 0.023 0.000 0.960 323 R CB -0.293 30.017 30.300 0.016 0.000 0.855 323 R HN 0.389 nan 8.270 nan 0.000 0.432 324 R N 0.933 121.448 120.500 0.025 0.000 2.134 324 R HA -0.202 4.140 4.340 0.003 0.000 0.248 324 R C 2.017 178.363 176.300 0.076 0.000 1.143 324 R CA 1.911 58.033 56.100 0.037 0.000 0.957 324 R CB -0.600 29.711 30.300 0.017 0.000 0.867 324 R HN 0.341 nan 8.270 nan 0.000 0.441 325 L N 0.138 121.402 121.223 0.069 0.000 2.109 325 L HA -0.121 4.221 4.340 0.003 0.000 0.207 325 L C 2.676 179.701 176.870 0.259 0.000 1.086 325 L CA 0.560 55.498 54.840 0.163 0.000 0.760 325 L CB -0.392 41.662 42.059 -0.008 0.000 0.910 325 L HN 0.242 nan 8.230 nan 0.000 0.437 326 L N -0.085 121.220 121.223 0.136 0.000 2.017 326 L HA -0.247 4.095 4.340 0.003 0.000 0.208 326 L C 2.267 179.190 176.870 0.088 0.000 1.073 326 L CA 1.656 56.560 54.840 0.107 0.000 0.745 326 L CB -0.379 41.715 42.059 0.059 0.000 0.894 326 L HN 0.333 nan 8.230 nan 0.000 0.432 327 D N 0.116 120.555 120.400 0.065 0.000 2.092 327 D HA -0.201 4.440 4.640 0.003 0.000 0.193 327 D C 2.128 178.451 176.300 0.038 0.000 0.994 327 D CA 1.672 55.693 54.000 0.034 0.000 0.828 327 D CB -0.119 40.700 40.800 0.032 0.000 0.963 327 D HN 0.425 nan 8.370 nan 0.000 0.450 328 A N 0.262 123.145 122.820 0.105 0.000 1.902 328 A HA -0.238 4.083 4.320 0.003 0.000 0.217 328 A C 2.065 179.686 177.584 0.062 0.000 1.181 328 A CA 2.192 54.309 52.037 0.133 0.000 0.623 328 A CB -0.998 18.154 19.000 0.254 0.000 0.818 328 A HN 0.418 nan 8.150 nan 0.000 0.443 329 H N -0.052 118.971 119.070 -0.077 0.000 2.319 329 H HA -0.077 4.481 4.556 0.002 0.000 0.299 329 H C 1.721 176.758 175.328 -0.486 0.000 1.092 329 H CA 2.141 57.856 56.048 -0.555 0.000 1.302 329 H CB -0.296 29.063 29.762 -0.671 0.000 1.373 329 H HN 0.414 nan 8.280 nan 0.000 0.497 330 I N 0.491 120.823 120.570 -0.397 0.000 2.142 330 I HA -0.257 3.914 4.170 0.003 0.000 0.240 330 I C 2.646 178.612 176.117 -0.252 0.000 1.078 330 I CA 1.807 62.903 61.300 -0.341 0.000 1.343 330 I CB -0.524 37.386 38.000 -0.149 0.000 1.046 330 I HN 0.536 nan 8.210 nan 0.000 0.405 331 E N 1.732 121.841 120.200 -0.152 0.000 2.086 331 E HA -0.315 4.036 4.350 0.003 0.000 0.200 331 E C 2.193 178.733 176.600 -0.101 0.000 1.012 331 E CA 1.875 58.221 56.400 -0.091 0.000 0.812 331 E CB -0.145 29.535 29.700 -0.034 0.000 0.743 331 E HN 0.477 nan 8.360 nan 0.000 0.453 332 A N 0.646 123.385 122.820 -0.134 0.000 1.902 332 A HA -0.127 4.194 4.320 0.003 0.000 0.217 332 A C 2.457 179.962 177.584 -0.131 0.000 1.181 332 A CA 1.665 53.652 52.037 -0.083 0.000 0.623 332 A CB -0.647 18.364 19.000 0.019 0.000 0.818 332 A HN 0.252 nan 8.150 nan 0.000 0.443 333 V N 0.447 120.188 119.914 -0.288 0.000 2.548 333 V HA -0.186 3.936 4.120 0.003 0.000 0.249 333 V C 2.217 178.261 176.094 -0.082 0.000 1.055 333 V CA 1.832 64.014 62.300 -0.197 0.000 1.065 333 V CB -0.784 30.858 31.823 -0.301 0.000 0.681 333 V HN 0.778 nan 8.190 nan 0.000 0.462 334 I N -2.840 117.684 120.570 -0.077 0.000 3.956 334 I HA 0.306 4.478 4.170 0.003 0.000 0.333 334 I C 0.502 176.603 176.117 -0.027 0.000 1.302 334 I CA -0.155 61.132 61.300 -0.020 0.000 1.122 334 I CB -0.081 37.912 38.000 -0.010 0.000 1.013 334 I HN 0.014 nan 8.210 nan 0.000 0.405 335 D N 3.312 123.692 120.400 -0.034 0.000 2.536 335 D HA 0.170 4.811 4.640 0.003 0.000 0.260 335 D C 1.395 177.684 176.300 -0.018 0.000 1.270 335 D CA 1.713 55.700 54.000 -0.022 0.000 0.934 335 D CB 0.131 40.922 40.800 -0.013 0.000 1.129 335 D HN 0.645 nan 8.370 nan 0.000 0.533 336 G N 2.483 111.273 108.800 -0.016 0.000 2.132 336 G HA2 -0.196 3.766 3.960 0.003 0.000 0.228 336 G HA3 -0.196 3.766 3.960 0.003 0.000 0.228 336 G C 0.090 174.980 174.900 -0.017 0.000 1.000 336 G CA 0.102 45.194 45.100 -0.014 0.000 0.693 336 G HN 0.551 nan 8.290 nan 0.000 0.515 337 V N 0.805 120.709 119.914 -0.016 0.000 2.289 337 V HA 0.301 4.422 4.120 0.003 0.000 0.272 337 V C -0.650 175.443 176.094 -0.001 0.000 1.026 337 V CA -0.675 61.617 62.300 -0.013 0.000 0.807 337 V CB 1.574 33.386 31.823 -0.017 0.000 1.044 337 V HN 0.095 nan 8.190 nan 0.000 0.443 338 P HA 0.012 nan 4.420 nan 0.000 0.216 338 P C -1.413 175.877 177.300 -0.017 0.000 1.153 338 P CA 0.962 64.056 63.100 -0.010 0.000 0.848 338 P CB -0.731 30.966 31.700 -0.004 0.000 0.787 339 P HA 0.147 nan 4.420 nan 0.000 0.263 339 P C -0.319 176.940 177.300 -0.067 0.000 1.386 339 P CA 0.334 63.419 63.100 -0.026 0.000 0.797 339 P CB -0.507 31.182 31.700 -0.018 0.000 1.381 340 A N 0.655 123.428 122.820 -0.078 0.000 2.252 340 A HA 0.394 4.716 4.320 0.003 0.000 0.309 340 A C -0.086 177.341 177.584 -0.261 0.000 1.285 340 A CA -0.357 51.537 52.037 -0.239 0.000 0.900 340 A CB 0.144 19.069 19.000 -0.126 0.000 1.157 340 A HN -0.038 nan 8.150 nan 0.000 0.536 341 E N 2.369 122.361 120.200 -0.346 0.000 2.081 341 E HA 0.376 4.727 4.350 0.003 0.000 0.281 341 E C -1.058 175.385 176.600 -0.262 0.000 0.986 341 E CA -0.191 56.061 56.400 -0.247 0.000 0.796 341 E CB 1.246 30.825 29.700 -0.202 0.000 1.085 341 E HN 0.437 nan 8.360 nan 0.000 0.398 342 V N 7.669 127.469 119.914 -0.189 0.000 2.350 342 V HA 0.534 4.655 4.120 0.003 0.000 0.276 342 V C -2.090 173.937 176.094 -0.111 0.000 1.028 342 V CA -1.555 60.650 62.300 -0.159 0.000 0.860 342 V CB 1.011 32.754 31.823 -0.133 0.000 0.990 342 V HN 0.783 nan 8.190 nan 0.000 0.453 343 P HA 0.420 nan 4.420 nan 0.000 0.284 343 P C -0.719 176.549 177.300 -0.054 0.000 1.292 343 P CA -0.681 62.376 63.100 -0.072 0.000 0.800 343 P CB 0.911 32.568 31.700 -0.071 0.000 1.188 344 E N 1.318 121.494 120.200 -0.039 0.000 2.324 344 E HA 0.174 4.525 4.350 0.003 0.000 0.271 344 E C -1.800 174.787 176.600 -0.022 0.000 1.028 344 E CA -1.301 55.083 56.400 -0.027 0.000 0.890 344 E CB 0.157 29.844 29.700 -0.021 0.000 1.004 344 E HN 0.322 nan 8.360 nan 0.000 0.431 345 P HA 0.128 nan 4.420 nan 0.000 0.268 345 P C -0.342 176.958 177.300 -0.001 0.000 1.205 345 P CA -0.083 63.013 63.100 -0.007 0.000 0.771 345 P CB 0.664 32.365 31.700 0.001 0.000 0.858 346 I N 1.615 122.187 120.570 0.003 0.000 2.377 346 I HA 0.299 4.470 4.170 0.003 0.000 0.293 346 I C 0.893 177.021 176.117 0.018 0.000 0.987 346 I CA -0.809 60.496 61.300 0.007 0.000 1.185 346 I CB 0.760 38.762 38.000 0.003 0.000 1.341 346 I HN 0.319 nan 8.210 nan 0.000 0.455 347 E N 5.505 125.717 120.200 0.021 0.000 2.313 347 E HA 0.285 4.637 4.350 0.003 0.000 0.276 347 E C -0.632 175.987 176.600 0.032 0.000 1.031 347 E CA -0.331 56.088 56.400 0.031 0.000 0.857 347 E CB 1.160 30.879 29.700 0.031 0.000 1.040 347 E HN 0.473 nan 8.360 nan 0.000 0.408 348 Q N 2.550 122.375 119.800 0.043 0.000 2.375 348 Q HA 0.402 4.744 4.340 0.003 0.000 0.271 348 Q C -0.606 175.431 176.000 0.062 0.000 1.074 348 Q CA -0.795 55.030 55.803 0.037 0.000 0.808 348 Q CB 2.522 31.273 28.738 0.021 0.000 1.327 348 Q HN 0.277 nan 8.270 nan 0.000 0.441 349 R N 0.837 121.371 120.500 0.057 0.000 2.441 349 R HA 0.148 4.489 4.340 0.003 0.000 0.284 349 R C -0.192 176.159 176.300 0.085 0.000 1.070 349 R CA -0.534 55.624 56.100 0.097 0.000 1.047 349 R CB 1.030 31.389 30.300 0.098 0.000 1.016 349 R HN 0.620 nan 8.270 nan 0.000 0.477 350 W N 5.855 127.091 121.300 -0.107 0.000 2.476 350 W HA -0.151 4.510 4.660 0.002 0.000 0.338 350 W C 0.084 176.426 176.519 -0.295 0.000 1.328 350 W CA 0.651 57.840 57.345 -0.260 0.000 1.300 350 W CB 0.154 29.347 29.460 -0.444 0.000 1.252 350 W HN 0.715 nan 8.180 nan 0.000 0.568 351 L N 4.303 125.045 121.223 -0.802 0.000 4.179 351 L HA -0.375 3.967 4.340 0.003 0.000 0.418 351 L C 1.774 178.507 176.870 -0.229 0.000 1.168 351 L CA 0.562 55.062 54.840 -0.567 0.000 0.972 351 L CB -2.041 39.671 42.059 -0.577 0.000 2.005 351 L HN 0.616 nan 8.230 nan 0.000 0.935 352 A N -1.028 121.703 122.820 -0.149 0.000 1.986 352 A HA -0.087 4.234 4.320 0.003 0.000 0.220 352 A C 1.571 179.123 177.584 -0.053 0.000 1.171 352 A CA 2.292 54.297 52.037 -0.053 0.000 0.640 352 A CB -0.076 18.910 19.000 -0.025 0.000 0.811 352 A HN 0.476 nan 8.150 nan 0.000 0.451 353 S N -1.217 114.432 115.700 -0.085 0.000 2.708 353 S HA 0.271 4.743 4.470 0.003 0.000 0.141 353 S C -0.171 174.372 174.600 -0.094 0.000 1.349 353 S CA 0.072 58.231 58.200 -0.069 0.000 1.206 353 S CB -0.335 62.837 63.200 -0.045 0.000 1.603 353 S HN 0.512 nan 8.310 nan 0.000 0.415 354 T N 4.379 118.858 114.554 -0.125 0.000 2.946 354 T HA 0.199 4.551 4.350 0.003 0.000 0.312 354 T C -2.149 172.502 174.700 -0.082 0.000 1.066 354 T CA -0.419 61.599 62.100 -0.136 0.000 1.138 354 T CB 0.102 68.880 68.868 -0.149 0.000 1.014 354 T HN 0.428 nan 8.240 nan 0.000 0.544 355 P HA 0.193 nan 4.420 nan 0.000 0.261 355 P C -0.192 177.087 177.300 -0.036 0.000 1.183 355 P CA -0.126 62.948 63.100 -0.044 0.000 0.761 355 P CB 0.262 31.942 31.700 -0.033 0.000 0.785 356 G N 3.909 112.693 108.800 -0.027 0.000 4.373 356 G HA2 0.189 4.150 3.960 0.003 0.000 0.337 356 G HA3 0.189 4.150 3.960 0.003 0.000 0.337 356 G C 0.181 175.073 174.900 -0.014 0.000 1.442 356 G CA -0.510 44.578 45.100 -0.021 0.000 1.150 356 G HN 0.256 nan 8.290 nan 0.000 0.517 357 R N 0.412 120.908 120.500 -0.007 0.000 2.531 357 R HA 0.426 4.767 4.340 0.003 0.000 0.273 357 R C 0.873 177.172 176.300 -0.002 0.000 1.070 357 R CA -0.339 55.761 56.100 -0.002 0.000 1.112 357 R CB 1.201 31.508 30.300 0.012 0.000 1.049 357 R HN 0.375 nan 8.270 nan 0.000 0.508 358 G N -0.275 108.518 108.800 -0.010 0.000 2.503 358 G HA2 0.387 4.348 3.960 0.003 0.000 0.257 358 G HA3 0.387 4.348 3.960 0.003 0.000 0.257 358 G C 0.166 175.056 174.900 -0.017 0.000 1.214 358 G CA -0.302 44.789 45.100 -0.015 0.000 0.839 358 G HN 0.544 nan 8.290 nan 0.000 0.559 359 G N -0.842 107.945 108.800 -0.022 0.000 2.651 359 G HA2 0.411 4.373 3.960 0.003 0.000 0.260 359 G HA3 0.411 4.373 3.960 0.003 0.000 0.260 359 G C 0.499 175.355 174.900 -0.073 0.000 1.216 359 G CA -0.422 44.656 45.100 -0.037 0.000 0.913 359 G HN 0.943 nan 8.290 nan 0.000 0.535 360 R N -0.874 119.560 120.500 -0.109 0.000 2.557 360 R HA -0.145 4.197 4.340 0.003 0.000 0.289 360 R C 0.870 177.081 176.300 -0.149 0.000 1.001 360 R CA 0.334 56.351 56.100 -0.138 0.000 0.869 360 R CB -1.328 28.904 30.300 -0.114 0.000 2.320 360 R HN 0.992 nan 8.270 nan 0.000 0.517 361 G N 3.907 112.600 108.800 -0.178 0.000 2.485 361 G HA2 0.432 4.393 3.960 0.003 0.000 0.260 361 G HA3 0.432 4.393 3.960 0.003 0.000 0.260 361 G C -2.072 172.682 174.900 -0.244 0.000 1.459 361 G CA -0.649 44.341 45.100 -0.184 0.000 1.060 361 G HN 0.485 nan 8.290 nan 0.000 0.546 362 P HA 0.414 nan 4.420 nan 0.000 0.279 362 P C -0.540 176.428 177.300 -0.552 0.000 1.282 362 P CA -0.323 62.549 63.100 -0.379 0.000 0.788 362 P CB 0.470 31.954 31.700 -0.360 0.000 1.139 363 A N 0.573 122.899 122.820 -0.824 0.000 2.366 363 A HA 0.555 4.876 4.320 0.003 0.000 0.272 363 A C 0.245 176.885 177.584 -1.573 0.000 1.135 363 A CA 0.171 51.482 52.037 -1.209 0.000 0.804 363 A CB -0.680 17.441 19.000 -1.464 0.000 1.064 363 A HN 0.599 nan 8.150 nan 0.000 0.499 364 S N 1.303 116.323 115.700 -1.133 0.000 2.579 364 S HA 0.763 5.235 4.470 0.003 0.000 0.272 364 S C -1.025 173.370 174.600 -0.342 0.000 1.141 364 S CA -0.938 56.818 58.200 -0.739 0.000 0.843 364 S CB 1.734 64.648 63.200 -0.475 0.000 1.122 364 S HN 0.805 nan 8.310 nan 0.000 0.468 365 K N 0.723 121.105 120.400 -0.031 0.000 2.426 365 K HA 0.715 5.037 4.320 0.003 0.000 0.254 365 K C -1.505 175.065 176.600 -0.051 0.000 0.936 365 K CA -0.049 56.259 56.287 0.035 0.000 0.801 365 K CB 1.945 34.572 32.500 0.211 0.000 1.139 365 K HN 0.791 nan 8.250 nan 0.000 0.424 366 T N 4.127 118.608 114.554 -0.120 0.000 2.841 366 T HA 0.493 4.844 4.350 0.003 0.000 0.285 366 T C -1.009 173.718 174.700 0.045 0.000 0.991 366 T CA -0.883 61.159 62.100 -0.096 0.000 0.966 366 T CB 1.039 69.732 68.868 -0.291 0.000 0.962 366 T HN 0.473 nan 8.240 nan 0.000 0.438 367 K N 1.379 121.800 120.400 0.036 0.000 2.221 367 K HA 0.908 5.230 4.320 0.003 0.000 0.243 367 K C -0.708 176.063 176.600 0.286 0.000 0.968 367 K CA -1.044 55.200 56.287 -0.071 0.000 0.846 367 K CB 2.128 34.232 32.500 -0.659 0.000 1.141 367 K HN 0.654 nan 8.250 nan 0.000 0.434 368 A N 0.354 123.411 122.820 0.395 0.000 2.556 368 A HA 0.862 5.184 4.320 0.003 0.000 0.294 368 A C -1.064 176.846 177.584 0.543 0.000 1.091 368 A CA -0.615 51.740 52.037 0.531 0.000 0.704 368 A CB 2.128 21.418 19.000 0.484 0.000 1.300 368 A HN 0.730 nan 8.150 nan 0.000 0.406 369 G N -0.569 108.497 108.800 0.443 0.000 2.720 369 G HA2 0.557 4.518 3.960 0.003 0.000 0.295 369 G HA3 0.557 4.518 3.960 0.003 0.000 0.295 369 G C -1.806 173.188 174.900 0.156 0.000 1.437 369 G CA -0.425 44.844 45.100 0.281 0.000 0.886 369 G HN 0.524 nan 8.290 nan 0.000 0.509 370 Y N -0.202 120.170 120.300 0.119 0.000 2.335 370 Y HA 0.671 5.222 4.550 0.002 0.000 0.323 370 Y C 0.637 176.605 175.900 0.113 0.000 1.224 370 Y CA -0.276 57.871 58.100 0.077 0.000 1.241 370 Y CB 1.772 40.251 38.460 0.031 0.000 1.235 370 Y HN 0.246 nan 8.280 nan 0.000 0.492 371 L N 3.329 124.734 121.223 0.303 0.000 2.385 371 L HA 0.499 4.840 4.340 0.003 0.000 0.273 371 L C 0.396 177.394 176.870 0.213 0.000 0.990 371 L CA -0.616 54.361 54.840 0.228 0.000 0.821 371 L CB 2.177 44.348 42.059 0.187 0.000 1.279 371 L HN 0.686 nan 8.230 nan 0.000 0.412 372 R N 1.038 121.636 120.500 0.163 0.000 2.282 372 R HA 0.253 4.595 4.340 0.003 0.000 0.195 372 R C -0.231 176.136 176.300 0.112 0.000 0.909 372 R CA 0.296 56.474 56.100 0.130 0.000 1.039 372 R CB 0.561 30.916 30.300 0.093 0.000 1.015 372 R HN 0.463 nan 8.270 nan 0.000 0.513 373 K N 0.832 121.299 120.400 0.111 0.000 2.495 373 K HA 0.286 4.607 4.320 0.003 0.000 0.268 373 K C -0.935 175.728 176.600 0.104 0.000 1.008 373 K CA -1.082 55.262 56.287 0.094 0.000 0.882 373 K CB 2.215 34.758 32.500 0.072 0.000 1.443 373 K HN -0.036 nan 8.250 nan 0.000 0.447 374 R N 0.512 121.068 120.500 0.093 0.000 2.811 374 R HA 0.139 4.480 4.340 0.003 0.000 0.265 374 R C -0.135 176.215 176.300 0.084 0.000 1.026 374 R CA -0.368 55.790 56.100 0.096 0.000 1.142 374 R CB -0.090 30.262 30.300 0.087 0.000 1.027 374 R HN 0.405 nan 8.270 nan 0.000 0.465 375 L N 1.913 123.184 121.223 0.080 0.000 2.506 375 L HA 0.032 4.374 4.340 0.003 0.000 0.281 375 L C 1.034 177.929 176.870 0.041 0.000 1.228 375 L CA 0.177 55.051 54.840 0.057 0.000 0.850 375 L CB 0.336 42.422 42.059 0.045 0.000 1.110 375 L HN 0.939 nan 8.230 nan 0.000 0.496 376 T N -2.250 112.321 114.554 0.029 0.000 2.754 376 T HA 0.070 4.421 4.350 0.003 0.000 0.286 376 T C 0.782 175.496 174.700 0.023 0.000 0.997 376 T CA -0.778 61.337 62.100 0.025 0.000 0.982 376 T CB 0.886 69.766 68.868 0.019 0.000 1.027 376 T HN 0.527 nan 8.240 nan 0.000 0.529 377 D N -0.004 120.410 120.400 0.023 0.000 2.123 377 D HA -0.078 4.563 4.640 0.003 0.000 0.196 377 D C 2.253 178.572 176.300 0.030 0.000 0.992 377 D CA 1.197 55.213 54.000 0.027 0.000 0.833 377 D CB -0.185 40.628 40.800 0.021 0.000 0.954 377 D HN 0.520 nan 8.370 nan 0.000 0.455 378 R N 0.257 120.767 120.500 0.017 0.000 2.081 378 R HA -0.072 4.269 4.340 0.003 0.000 0.235 378 R C 2.356 178.655 176.300 -0.001 0.000 1.131 378 R CA 0.971 57.076 56.100 0.008 0.000 0.960 378 R CB -0.098 30.200 30.300 -0.005 0.000 0.856 378 R HN 0.353 nan 8.270 nan 0.000 0.436 379 Q N 0.160 119.952 119.800 -0.014 0.000 2.124 379 Q HA -0.121 4.220 4.340 0.003 0.000 0.202 379 Q C 2.144 178.158 176.000 0.024 0.000 0.977 379 Q CA 1.231 57.008 55.803 -0.042 0.000 0.850 379 Q CB -0.050 28.643 28.738 -0.074 0.000 0.901 379 Q HN 0.386 nan 8.270 nan 0.000 0.429 380 I N 0.468 121.078 120.570 0.067 0.000 2.286 380 I HA -0.275 3.896 4.170 0.003 0.000 0.248 380 I C 2.485 178.745 176.117 0.240 0.000 1.115 380 I CA 0.907 62.299 61.300 0.153 0.000 1.392 380 I CB -0.156 37.906 38.000 0.104 0.000 1.065 380 I HN 0.214 nan 8.210 nan 0.000 0.418 381 Q N 1.350 121.242 119.800 0.153 0.000 2.119 381 Q HA -0.127 4.214 4.340 0.003 0.000 0.201 381 Q C 2.162 178.250 176.000 0.146 0.000 0.972 381 Q CA 2.153 58.054 55.803 0.163 0.000 0.847 381 Q CB -0.321 28.473 28.738 0.094 0.000 0.903 381 Q HN 0.488 nan 8.270 nan 0.000 0.433 382 A N -0.682 122.180 122.820 0.070 0.000 1.898 382 A HA -0.103 4.219 4.320 0.003 0.000 0.216 382 A C 2.286 179.883 177.584 0.022 0.000 1.181 382 A CA 1.519 53.559 52.037 0.005 0.000 0.620 382 A CB -0.835 18.128 19.000 -0.062 0.000 0.819 382 A HN 0.247 nan 8.150 nan 0.000 0.442 383 V N -1.333 118.644 119.914 0.104 0.000 2.233 383 V HA -0.320 3.801 4.120 0.003 0.000 0.247 383 V C 2.344 178.517 176.094 0.131 0.000 1.050 383 V CA 2.282 64.684 62.300 0.170 0.000 1.010 383 V CB -1.055 30.960 31.823 0.320 0.000 0.637 383 V HN 0.724 nan 8.190 nan 0.000 0.444 384 Y N 0.836 121.149 120.300 0.022 0.000 2.151 384 Y HA -0.315 4.237 4.550 0.003 0.000 0.284 384 Y C 2.707 178.535 175.900 -0.119 0.000 1.166 384 Y CA 2.442 60.355 58.100 -0.311 0.000 1.163 384 Y CB -0.097 38.189 38.460 -0.289 0.000 0.974 384 Y HN 0.389 nan 8.280 nan 0.000 0.511 385 E N -0.313 119.867 120.200 -0.034 0.000 2.106 385 E HA -0.218 4.134 4.350 0.003 0.000 0.192 385 E C 1.769 178.336 176.600 -0.054 0.000 0.984 385 E CA 1.291 57.656 56.400 -0.058 0.000 0.806 385 E CB -0.178 29.504 29.700 -0.030 0.000 0.750 385 E HN 0.578 nan 8.360 nan 0.000 0.458 386 N N -0.109 118.546 118.700 -0.075 0.000 2.300 386 N HA -0.075 4.667 4.740 0.003 0.000 0.179 386 N C 1.667 177.269 175.510 0.152 0.000 1.016 386 N CA 0.780 53.802 53.050 -0.046 0.000 0.876 386 N CB 0.014 38.346 38.487 -0.260 0.000 0.979 386 N HN 0.277 nan 8.380 nan 0.000 0.432 387 M N 0.290 119.893 119.600 0.006 0.000 2.319 387 M HA 0.006 4.487 4.480 0.003 0.000 0.265 387 M C 1.329 177.397 176.300 -0.386 0.000 1.068 387 M CA 0.998 56.245 55.300 -0.088 0.000 1.118 387 M CB -0.965 31.559 32.600 -0.126 0.000 1.395 387 M HN -0.083 nan 8.290 nan 0.000 0.435 388 T N -1.224 113.083 114.554 -0.412 0.000 3.129 388 T HA 0.010 4.361 4.350 0.003 0.000 0.251 388 T C -0.171 174.264 174.700 -0.441 0.000 1.117 388 T CA 0.518 62.315 62.100 -0.504 0.000 1.034 388 T CB -0.223 68.243 68.868 -0.670 0.000 0.968 388 T HN 0.340 nan 8.240 nan 0.000 0.526 389 H N 0.482 119.455 119.070 -0.161 0.000 2.336 389 H HA 0.423 4.980 4.556 0.003 0.000 0.230 389 H C 0.030 175.358 175.328 -0.000 0.000 1.426 389 H CA -0.219 55.784 56.048 -0.074 0.000 1.359 389 H CB -0.054 29.685 29.762 -0.038 0.000 1.555 389 H HN 0.171 nan 8.280 nan 0.000 0.512 390 M N 0.465 119.987 119.600 -0.131 0.000 2.869 390 M HA 0.205 4.687 4.480 0.003 0.000 0.353 390 M C -0.656 175.441 176.300 -0.339 0.000 1.224 390 M CA -0.438 54.648 55.300 -0.357 0.000 0.917 390 M CB 0.039 32.298 32.600 -0.569 0.000 1.322 390 M HN 0.278 nan 8.290 nan 0.000 0.516 391 D N 1.225 121.499 120.400 -0.209 0.000 2.425 391 D HA 0.328 4.969 4.640 0.003 0.000 0.247 391 D C 1.327 177.505 176.300 -0.204 0.000 1.147 391 D CA 1.144 55.035 54.000 -0.181 0.000 0.879 391 D CB 0.651 41.380 40.800 -0.119 0.000 1.179 391 D HN 0.548 nan 8.370 nan 0.000 0.456 392 G N 1.839 110.526 108.800 -0.188 0.000 2.179 392 G HA2 -0.243 3.719 3.960 0.003 0.000 0.260 392 G HA3 -0.243 3.719 3.960 0.003 0.000 0.260 392 G C 0.148 174.883 174.900 -0.276 0.000 0.977 392 G CA -0.416 44.571 45.100 -0.188 0.000 0.641 392 G HN 0.437 nan 8.290 nan 0.000 0.533 393 I N 2.163 122.516 120.570 -0.361 0.000 2.304 393 I HA 0.297 4.468 4.170 0.003 0.000 0.291 393 I C 0.971 177.026 176.117 -0.104 0.000 1.018 393 I CA -1.192 59.830 61.300 -0.465 0.000 1.260 393 I CB 1.010 38.520 38.000 -0.817 0.000 1.390 393 I HN -0.056 nan 8.210 nan 0.000 0.475 394 D N 4.870 125.461 120.400 0.317 0.000 2.077 394 D HA -0.196 4.445 4.640 0.003 0.000 0.193 394 D C 0.144 176.535 176.300 0.151 0.000 0.989 394 D CA 2.074 56.191 54.000 0.194 0.000 0.831 394 D CB 0.031 40.945 40.800 0.190 0.000 0.979 394 D HN 0.490 nan 8.370 nan 0.000 0.449 395 Y N -0.337 119.972 120.300 0.014 0.000 2.406 395 Y HA 0.521 5.073 4.550 0.002 0.000 0.340 395 Y C -0.460 175.371 175.900 -0.115 0.000 0.975 395 Y CA -0.751 57.317 58.100 -0.053 0.000 1.056 395 Y CB 2.209 40.655 38.460 -0.023 0.000 1.210 395 Y HN -0.031 nan 8.280 nan 0.000 0.448 396 G N 2.951 111.266 108.800 -0.808 0.000 2.701 396 G HA2 0.784 4.745 3.960 0.003 0.000 0.300 396 G HA3 0.784 4.745 3.960 0.003 0.000 0.300 396 G C -2.031 172.502 174.900 -0.611 0.000 1.410 396 G CA -0.335 44.298 45.100 -0.779 0.000 1.014 396 G HN 0.995 nan 8.290 nan 0.000 0.509 397 A N 0.779 123.420 122.820 -0.299 0.000 2.587 397 A HA 0.858 5.179 4.320 0.003 0.000 0.293 397 A C -1.381 176.237 177.584 0.058 0.000 1.087 397 A CA -0.617 51.370 52.037 -0.083 0.000 0.692 397 A CB 1.896 20.869 19.000 -0.046 0.000 1.291 397 A HN 1.347 nan 8.150 nan 0.000 0.407 398 V N 0.739 120.732 119.914 0.132 0.000 2.448 398 V HA 0.500 4.622 4.120 0.003 0.000 0.295 398 V C -1.401 174.834 176.094 0.235 0.000 1.025 398 V CA -0.398 61.913 62.300 0.020 0.000 0.859 398 V CB 1.273 33.077 31.823 -0.031 0.000 0.988 398 V HN 0.761 nan 8.190 nan 0.000 0.431 399 W N 5.227 126.438 121.300 -0.149 0.000 2.417 399 W HA 0.681 5.343 4.660 0.003 0.000 0.315 399 W C -0.661 175.788 176.519 -0.117 0.000 1.045 399 W CA -1.537 55.757 57.345 -0.087 0.000 1.221 399 W CB 1.249 30.708 29.460 -0.001 0.000 1.309 399 W HN 0.329 nan 8.180 nan 0.000 0.453 400 L N 5.562 126.816 121.223 0.051 0.000 2.264 400 L HA 0.421 4.763 4.340 0.003 0.000 0.287 400 L C -0.044 176.817 176.870 -0.015 0.000 1.039 400 L CA -0.208 54.624 54.840 -0.013 0.000 0.829 400 L CB 0.233 42.222 42.059 -0.117 0.000 1.211 400 L HN 0.190 nan 8.230 nan 0.000 0.427 401 I N 2.824 123.443 120.570 0.082 0.000 2.312 401 I HA 0.327 4.499 4.170 0.003 0.000 0.290 401 I C 1.112 177.323 176.117 0.157 0.000 1.008 401 I CA -0.530 60.862 61.300 0.154 0.000 1.226 401 I CB 1.376 39.673 38.000 0.495 0.000 1.371 401 I HN 0.616 nan 8.210 nan 0.000 0.468 402 G N 5.231 113.999 108.800 -0.054 0.000 2.265 402 G HA2 0.074 4.035 3.960 0.003 0.000 0.240 402 G HA3 0.074 4.035 3.960 0.003 0.000 0.240 402 G C -1.057 174.302 174.900 0.764 0.000 1.270 402 G CA 0.480 45.721 45.100 0.236 0.000 0.901 402 G HN 0.520 nan 8.290 nan 0.000 0.507 403 Y N 0.995 121.550 120.300 0.425 0.000 2.889 403 Y HA 0.638 5.190 4.550 0.003 0.000 0.317 403 Y C 0.912 176.998 175.900 0.311 0.000 1.414 403 Y CA 0.431 58.743 58.100 0.353 0.000 1.091 403 Y CB 1.322 39.889 38.460 0.179 0.000 1.358 403 Y HN 1.438 nan 8.280 nan 0.000 0.487 404 G N 0.782 109.369 108.800 -0.355 0.000 2.520 404 G HA2 0.234 4.195 3.960 0.003 0.000 0.248 404 G HA3 0.234 4.195 3.960 0.003 0.000 0.248 404 G C 0.951 175.783 174.900 -0.114 0.000 1.161 404 G CA 0.868 45.871 45.100 -0.162 0.000 0.946 404 G HN 2.187 nan 8.290 nan 0.000 0.565 405 G N -0.066 108.729 108.800 -0.009 0.000 2.665 405 G HA2 -0.287 3.674 3.960 0.003 0.000 0.326 405 G HA3 -0.287 3.674 3.960 0.003 0.000 0.326 405 G C 1.277 176.161 174.900 -0.027 0.000 1.231 405 G CA 2.255 47.351 45.100 -0.006 0.000 0.992 405 G HN 1.824 nan 8.290 nan 0.000 0.549 406 K N 0.433 120.818 120.400 -0.025 0.000 2.288 406 K HA 0.289 4.611 4.320 0.003 0.000 0.201 406 K C 2.640 179.238 176.600 -0.004 0.000 1.048 406 K CA 1.564 57.850 56.287 -0.002 0.000 0.956 406 K CB -0.377 32.136 32.500 0.022 0.000 0.746 406 K HN 0.403 nan 8.250 nan 0.000 0.461 407 V N 1.632 121.508 119.914 -0.065 0.000 2.324 407 V HA -0.292 3.829 4.120 0.003 0.000 0.250 407 V C 1.347 177.415 176.094 -0.044 0.000 1.060 407 V CA 2.017 64.260 62.300 -0.094 0.000 1.042 407 V CB -0.586 31.021 31.823 -0.360 0.000 0.650 407 V HN 0.411 nan 8.190 nan 0.000 0.450 408 N N 0.112 118.784 118.700 -0.046 0.000 2.461 408 N HA -0.062 4.679 4.740 0.003 0.000 0.188 408 N C 1.774 177.290 175.510 0.009 0.000 1.134 408 N CA 1.195 54.239 53.050 -0.011 0.000 0.878 408 N CB -0.248 38.235 38.487 -0.007 0.000 0.972 408 N HN 0.743 nan 8.380 nan 0.000 0.456 409 T N -2.869 111.692 114.554 0.013 0.000 3.113 409 T HA 0.084 4.435 4.350 0.003 0.000 0.263 409 T C 0.773 175.493 174.700 0.034 0.000 1.143 409 T CA 0.102 62.216 62.100 0.023 0.000 1.090 409 T CB -0.120 68.763 68.868 0.025 0.000 0.922 409 T HN -0.222 nan 8.240 nan 0.000 0.521 410 V N 2.346 122.283 119.914 0.039 0.000 2.472 410 V HA 0.282 4.403 4.120 0.003 0.000 0.290 410 V C 0.377 176.510 176.094 0.065 0.000 1.037 410 V CA -1.389 60.946 62.300 0.058 0.000 0.908 410 V CB 1.560 33.421 31.823 0.063 0.000 0.985 410 V HN 0.428 nan 8.190 nan 0.000 0.454 411 D N 5.351 125.799 120.400 0.080 0.000 2.472 411 D HA 0.044 4.686 4.640 0.003 0.000 0.237 411 D C -1.635 174.727 176.300 0.103 0.000 1.141 411 D CA -1.022 53.030 54.000 0.086 0.000 0.875 411 D CB 1.971 42.828 40.800 0.096 0.000 1.192 411 D HN 0.265 nan 8.370 nan 0.000 0.450 412 P HA -0.083 nan 4.420 nan 0.000 0.221 412 P C 0.239 177.639 177.300 0.167 0.000 1.145 412 P CA 0.998 64.159 63.100 0.102 0.000 0.795 412 P CB 0.293 32.040 31.700 0.079 0.000 0.775 413 A N -1.214 121.724 122.820 0.196 0.000 2.382 413 A HA 0.483 4.804 4.320 0.003 0.000 0.228 413 A C 2.010 179.843 177.584 0.415 0.000 1.217 413 A CA 0.586 52.797 52.037 0.290 0.000 0.923 413 A CB -0.684 18.417 19.000 0.168 0.000 0.979 413 A HN 0.110 nan 8.150 nan 0.000 0.515 414 A N 0.224 123.233 122.820 0.315 0.000 2.019 414 A HA 0.192 4.514 4.320 0.003 0.000 0.219 414 A C 1.548 179.392 177.584 0.433 0.000 1.164 414 A CA 1.898 54.148 52.037 0.355 0.000 0.644 414 A CB -0.612 18.529 19.000 0.235 0.000 0.805 414 A HN 0.781 nan 8.150 nan 0.000 0.449 415 T N -6.423 108.287 114.554 0.261 0.000 2.831 415 T HA 0.630 4.981 4.350 0.003 0.000 0.287 415 T C 0.626 175.071 174.700 -0.426 0.000 1.070 415 T CA -0.002 61.998 62.100 -0.168 0.000 1.010 415 T CB 1.373 70.140 68.868 -0.169 0.000 1.264 415 T HN 0.568 nan 8.240 nan 0.000 0.532 416 A N 0.042 122.278 122.820 -0.974 0.000 2.235 416 A HA 0.442 4.764 4.320 0.003 0.000 0.208 416 A C 0.710 178.175 177.584 -0.199 0.000 1.172 416 A CA -0.023 51.486 52.037 -0.881 0.000 0.786 416 A CB -0.945 17.396 19.000 -1.098 0.000 0.804 416 A HN 0.671 nan 8.150 nan 0.000 0.479 417 L N 0.442 121.610 121.223 -0.092 0.000 2.255 417 L HA 0.287 4.629 4.340 0.003 0.000 0.289 417 L C -1.641 175.260 176.870 0.052 0.000 1.046 417 L CA -1.864 53.002 54.840 0.045 0.000 0.816 417 L CB 1.652 43.747 42.059 0.060 0.000 1.197 417 L HN 0.051 nan 8.230 nan 0.000 0.427 418 P HA -0.066 nan 4.420 nan 0.000 0.224 418 P C -0.003 177.273 177.300 -0.040 0.000 1.157 418 P CA 0.618 63.746 63.100 0.047 0.000 0.799 418 P CB 0.302 32.045 31.700 0.072 0.000 0.809 419 Q N 0.556 120.257 119.800 -0.166 0.000 2.402 419 Q HA 0.195 4.537 4.340 0.003 0.000 0.238 419 Q C 0.620 176.547 176.000 -0.121 0.000 1.126 419 Q CA 0.349 55.963 55.803 -0.316 0.000 0.904 419 Q CB 0.224 28.347 28.738 -1.024 0.000 1.357 419 Q HN -0.036 nan 8.270 nan 0.000 0.491 420 R N 1.917 122.395 120.500 -0.038 0.000 2.629 420 R HA 0.076 4.418 4.340 0.003 0.000 0.408 420 R C -0.564 175.751 176.300 0.025 0.000 1.057 420 R CA 0.165 56.276 56.100 0.017 0.000 1.119 420 R CB 0.723 31.040 30.300 0.028 0.000 1.403 420 R HN 0.605 nan 8.270 nan 0.000 0.576 421 D N -1.414 119.004 120.400 0.031 0.000 2.582 421 D HA 0.132 4.774 4.640 0.003 0.000 0.246 421 D C 0.233 176.589 176.300 0.093 0.000 1.334 421 D CA -0.372 53.657 54.000 0.048 0.000 0.805 421 D CB 0.155 40.976 40.800 0.035 0.000 1.087 421 D HN 0.008 nan 8.370 nan 0.000 0.499 422 A N 0.751 123.663 122.820 0.154 0.000 2.366 422 A HA 0.555 4.876 4.320 0.003 0.000 0.249 422 A C 1.206 178.970 177.584 0.300 0.000 1.084 422 A CA -0.318 51.884 52.037 0.275 0.000 0.794 422 A CB 0.171 19.455 19.000 0.474 0.000 1.034 422 A HN 0.410 nan 8.150 nan 0.000 0.491 423 I N -2.703 118.051 120.570 0.307 0.000 4.456 423 I HA 0.493 4.665 4.170 0.003 0.000 0.329 423 I C -0.467 175.845 176.117 0.326 0.000 1.313 423 I CA 0.024 61.512 61.300 0.314 0.000 1.205 423 I CB 0.056 38.215 38.000 0.265 0.000 1.179 423 I HN 0.330 nan 8.210 nan 0.000 0.419 424 L N 1.408 122.794 121.223 0.271 0.000 2.556 424 L HA 0.528 4.869 4.340 0.003 0.000 0.257 424 L C -1.105 175.827 176.870 0.103 0.000 0.955 424 L CA -0.710 54.216 54.840 0.143 0.000 0.850 424 L CB 2.419 44.484 42.059 0.010 0.000 1.398 424 L HN -0.060 nan 8.230 nan 0.000 0.412 425 K N 1.369 121.779 120.400 0.017 0.000 2.123 425 K HA 0.706 5.028 4.320 0.003 0.000 0.259 425 K C -1.253 175.388 176.600 0.067 0.000 0.960 425 K CA -0.792 55.448 56.287 -0.079 0.000 0.872 425 K CB 3.060 35.449 32.500 -0.185 0.000 1.079 425 K HN 0.293 nan 8.250 nan 0.000 0.440 426 V N 3.017 122.977 119.914 0.076 0.000 2.483 426 V HA 0.340 4.462 4.120 0.003 0.000 0.297 426 V C -1.533 174.540 176.094 -0.035 0.000 1.027 426 V CA -0.710 61.593 62.300 0.004 0.000 0.855 426 V CB 1.488 33.310 31.823 -0.002 0.000 0.995 426 V HN 0.681 nan 8.190 nan 0.000 0.424 427 N N 5.086 123.703 118.700 -0.139 0.000 2.405 427 N HA 0.577 5.318 4.740 0.003 0.000 0.299 427 N C -1.632 173.670 175.510 -0.348 0.000 1.075 427 N CA -0.155 52.814 53.050 -0.136 0.000 0.884 427 N CB 1.593 39.962 38.487 -0.196 0.000 1.194 427 N HN 0.651 nan 8.380 nan 0.000 0.491 428 Y N 1.429 121.751 120.300 0.036 0.000 2.388 428 Y HA 0.518 5.070 4.550 0.003 0.000 0.328 428 Y C -0.054 175.826 175.900 -0.034 0.000 0.963 428 Y CA -0.587 57.535 58.100 0.036 0.000 1.240 428 Y CB 0.611 39.158 38.460 0.146 0.000 1.118 428 Y HN 0.269 nan 8.280 nan 0.000 0.484 429 I N 2.176 122.752 120.570 0.009 0.000 2.493 429 I HA 0.578 4.750 4.170 0.003 0.000 0.298 429 I C 0.096 176.269 176.117 0.093 0.000 0.998 429 I CA -0.635 60.625 61.300 -0.067 0.000 1.137 429 I CB 2.263 40.071 38.000 -0.319 0.000 1.310 429 I HN 0.446 nan 8.210 nan 0.000 0.445 430 T N 3.242 117.890 114.554 0.156 0.000 2.906 430 T HA 0.810 5.162 4.350 0.003 0.000 0.295 430 T C -0.647 174.208 174.700 0.258 0.000 1.061 430 T CA -0.614 61.643 62.100 0.263 0.000 1.000 430 T CB 1.761 70.906 68.868 0.461 0.000 1.103 430 T HN 0.875 nan 8.240 nan 0.000 0.486 431 G N 1.961 110.932 108.800 0.285 0.000 2.667 431 G HA2 0.688 4.649 3.960 0.003 0.000 0.298 431 G HA3 0.688 4.649 3.960 0.003 0.000 0.298 431 G C -1.935 172.967 174.900 0.003 0.000 1.377 431 G CA -0.909 44.197 45.100 0.009 0.000 0.964 431 G HN 0.836 nan 8.290 nan 0.000 0.493 432 W N -0.125 120.947 121.300 -0.381 0.000 3.107 432 W HA 0.718 5.380 4.660 0.002 0.000 0.331 432 W C 0.449 176.802 176.519 -0.276 0.000 1.204 432 W CA -0.625 56.415 57.345 -0.509 0.000 1.184 432 W CB 1.563 30.446 29.460 -0.962 0.000 1.421 432 W HN 0.774 nan 8.180 nan 0.000 0.544 433 A N 1.083 123.895 122.820 -0.013 0.000 1.855 433 A HA 0.005 4.326 4.320 0.003 0.000 0.213 433 A C 0.679 178.271 177.584 0.013 0.000 1.195 433 A CA 0.958 52.972 52.037 -0.039 0.000 0.610 433 A CB -0.526 18.469 19.000 -0.008 0.000 0.837 433 A HN 0.637 nan 8.150 nan 0.000 0.444 434 N N -0.263 118.507 118.700 0.117 0.000 2.425 434 N HA 0.260 5.001 4.740 0.003 0.000 0.268 434 N C -2.294 173.353 175.510 0.230 0.000 0.991 434 N CA -1.836 51.285 53.050 0.118 0.000 0.931 434 N CB 1.696 40.223 38.487 0.066 0.000 1.130 434 N HN -0.160 nan 8.380 nan 0.000 0.493 435 P HA -0.149 nan 4.420 nan 0.000 0.219 435 P C 1.075 178.425 177.300 0.082 0.000 1.151 435 P CA 1.251 64.458 63.100 0.178 0.000 0.850 435 P CB 0.086 31.834 31.700 0.080 0.000 0.784 436 G N -1.365 107.460 108.800 0.043 0.000 2.509 436 G HA2 -0.198 3.763 3.960 0.003 0.000 0.218 436 G HA3 -0.198 3.763 3.960 0.003 0.000 0.218 436 G C 1.096 175.969 174.900 -0.045 0.000 1.124 436 G CA 0.422 45.520 45.100 -0.003 0.000 0.776 436 G HN 0.363 nan 8.290 nan 0.000 0.547 437 N N -0.334 118.332 118.700 -0.057 0.000 2.235 437 N HA 0.134 4.875 4.740 0.003 0.000 0.209 437 N C 1.530 176.770 175.510 -0.450 0.000 1.122 437 N CA -0.109 52.875 53.050 -0.110 0.000 0.845 437 N CB 0.375 38.901 38.487 0.065 0.000 1.004 437 N HN 0.406 nan 8.380 nan 0.000 0.499 438 E N 1.422 121.214 120.200 -0.679 0.000 2.058 438 E HA -0.242 4.109 4.350 0.003 0.000 0.194 438 E C 1.911 178.089 176.600 -0.703 0.000 0.997 438 E CA 1.391 57.114 56.400 -1.127 0.000 0.801 438 E CB 0.049 29.502 29.700 -0.412 0.000 0.746 438 E HN 0.437 nan 8.360 nan 0.000 0.450 439 A N 1.235 123.846 122.820 -0.348 0.000 1.873 439 A HA -0.195 4.126 4.320 0.003 0.000 0.215 439 A C 2.098 179.567 177.584 -0.193 0.000 1.186 439 A CA 1.883 53.789 52.037 -0.218 0.000 0.616 439 A CB -0.520 18.401 19.000 -0.132 0.000 0.823 439 A HN 0.227 nan 8.150 nan 0.000 0.442 440 K N -0.645 119.643 120.400 -0.186 0.000 2.152 440 K HA -0.217 4.104 4.320 0.003 0.000 0.206 440 K C 1.612 178.073 176.600 -0.232 0.000 1.048 440 K CA 2.117 58.292 56.287 -0.187 0.000 0.933 440 K CB -0.449 31.928 32.500 -0.205 0.000 0.721 440 K HN 0.642 nan 8.250 nan 0.000 0.447 441 H N -0.390 118.494 119.070 -0.310 0.000 2.403 441 H HA 0.119 4.676 4.556 0.002 0.000 0.298 441 H C 1.665 176.934 175.328 -0.099 0.000 1.059 441 H CA 1.545 57.460 56.048 -0.223 0.000 1.363 441 H CB 0.057 29.571 29.762 -0.413 0.000 1.410 441 H HN 0.048 nan 8.280 nan 0.000 0.528 442 L N -0.407 120.738 121.223 -0.130 0.000 2.046 442 L HA -0.171 4.171 4.340 0.003 0.000 0.208 442 L C 2.229 179.089 176.870 -0.016 0.000 1.077 442 L CA 1.502 56.307 54.840 -0.059 0.000 0.747 442 L CB -0.530 41.466 42.059 -0.106 0.000 0.896 442 L HN 0.288 nan 8.230 nan 0.000 0.432 443 T N -1.352 113.184 114.554 -0.031 0.000 2.746 443 T HA -0.249 4.103 4.350 0.003 0.000 0.267 443 T C 1.356 176.064 174.700 0.013 0.000 1.039 443 T CA 1.566 63.653 62.100 -0.021 0.000 1.142 443 T CB -0.355 68.493 68.868 -0.034 0.000 0.866 443 T HN 0.495 nan 8.240 nan 0.000 0.444 444 W N 1.142 122.368 121.300 -0.123 0.000 2.378 444 W HA -0.092 4.569 4.660 0.002 0.000 0.313 444 W C 2.308 178.792 176.519 -0.058 0.000 1.197 444 W CA 0.663 57.944 57.345 -0.107 0.000 1.304 444 W CB -0.740 28.627 29.460 -0.154 0.000 1.148 444 W HN -0.021 nan 8.180 nan 0.000 0.494 445 V N 1.427 121.403 119.914 0.102 0.000 2.427 445 V HA -0.247 3.874 4.120 0.003 0.000 0.248 445 V C 2.479 178.467 176.094 -0.177 0.000 1.051 445 V CA 2.315 64.562 62.300 -0.088 0.000 1.048 445 V CB -0.491 31.436 31.823 0.173 0.000 0.666 445 V HN 0.175 nan 8.190 nan 0.000 0.456 446 R N -0.226 120.210 120.500 -0.108 0.000 2.081 446 R HA -0.157 4.185 4.340 0.003 0.000 0.235 446 R C 2.488 178.727 176.300 -0.103 0.000 1.131 446 R CA 1.874 57.921 56.100 -0.088 0.000 0.960 446 R CB -0.393 29.872 30.300 -0.057 0.000 0.856 446 R HN 0.450 nan 8.270 nan 0.000 0.436 447 K N 1.096 121.393 120.400 -0.171 0.000 2.026 447 K HA -0.161 4.160 4.320 0.003 0.000 0.208 447 K C 2.078 178.521 176.600 -0.262 0.000 1.048 447 K CA 1.233 57.402 56.287 -0.196 0.000 0.929 447 K CB -0.230 32.142 32.500 -0.214 0.000 0.713 447 K HN 0.172 nan 8.250 nan 0.000 0.439 448 L N 0.370 121.327 121.223 -0.442 0.000 2.010 448 L HA -0.284 4.058 4.340 0.003 0.000 0.219 448 L C 2.401 179.109 176.870 -0.270 0.000 1.077 448 L CA 2.069 56.642 54.840 -0.446 0.000 0.773 448 L CB -0.430 41.224 42.059 -0.676 0.000 0.892 448 L HN 0.353 nan 8.230 nan 0.000 0.436 449 Y N -0.268 119.803 120.300 -0.382 0.000 2.243 449 Y HA -0.094 4.458 4.550 0.003 0.000 0.293 449 Y C 2.417 178.201 175.900 -0.193 0.000 1.124 449 Y CA 1.330 59.179 58.100 -0.417 0.000 1.159 449 Y CB -0.228 38.031 38.460 -0.334 0.000 1.008 449 Y HN 0.240 nan 8.280 nan 0.000 0.527 450 A N 0.093 122.931 122.820 0.029 0.000 1.940 450 A HA -0.199 4.122 4.320 0.003 0.000 0.219 450 A C 1.778 179.304 177.584 -0.097 0.000 1.176 450 A CA 2.115 54.147 52.037 -0.009 0.000 0.631 450 A CB -0.724 18.277 19.000 0.000 0.000 0.814 450 A HN 0.518 nan 8.150 nan 0.000 0.446 451 D N -0.503 119.807 120.400 -0.151 0.000 2.123 451 D HA -0.064 4.578 4.640 0.003 0.000 0.200 451 D C 2.015 178.186 176.300 -0.215 0.000 0.976 451 D CA 1.238 55.142 54.000 -0.159 0.000 0.831 451 D CB -0.365 40.339 40.800 -0.160 0.000 0.974 451 D HN 0.211 nan 8.370 nan 0.000 0.469 452 V N 0.087 119.786 119.914 -0.359 0.000 2.427 452 V HA -0.213 3.909 4.120 0.003 0.000 0.248 452 V C 1.127 176.819 176.094 -0.669 0.000 1.051 452 V CA 1.326 63.291 62.300 -0.558 0.000 1.048 452 V CB -0.455 30.903 31.823 -0.775 0.000 0.666 452 V HN 0.229 nan 8.190 nan 0.000 0.456 453 Y N -0.603 119.535 120.300 -0.270 0.000 2.607 453 Y HA 0.563 5.115 4.550 0.003 0.000 0.266 453 Y C 1.915 177.725 175.900 -0.150 0.000 1.178 453 Y CA -0.244 57.713 58.100 -0.239 0.000 1.226 453 Y CB -0.712 37.517 38.460 -0.385 0.000 1.144 453 Y HN 0.109 nan 8.280 nan 0.000 0.528 454 A N 0.305 123.099 122.820 -0.043 0.000 1.986 454 A HA -0.240 4.082 4.320 0.003 0.000 0.220 454 A C 2.052 179.631 177.584 -0.009 0.000 1.171 454 A CA 1.904 53.924 52.037 -0.028 0.000 0.640 454 A CB -0.289 18.681 19.000 -0.050 0.000 0.811 454 A HN 0.509 nan 8.150 nan 0.000 0.451 455 E N -0.687 119.511 120.200 -0.003 0.000 2.338 455 E HA -0.081 4.270 4.350 0.003 0.000 0.197 455 E C 0.499 177.107 176.600 0.014 0.000 1.007 455 E CA 1.254 57.658 56.400 0.006 0.000 0.849 455 E CB -0.157 29.549 29.700 0.010 0.000 0.774 455 E HN 0.761 nan 8.360 nan 0.000 0.506 456 T N -3.204 111.364 114.554 0.025 0.000 3.732 456 T HA 0.453 4.805 4.350 0.003 0.000 0.234 456 T C 0.765 175.466 174.700 0.002 0.000 1.146 456 T CA -0.106 62.002 62.100 0.012 0.000 1.454 456 T CB 0.625 69.499 68.868 0.010 0.000 0.910 456 T HN 0.144 nan 8.240 nan 0.000 0.640 457 G N 0.494 109.297 108.800 0.005 0.000 2.166 457 G HA2 0.089 4.051 3.960 0.003 0.000 0.260 457 G HA3 0.089 4.051 3.960 0.003 0.000 0.260 457 G C 1.155 176.063 174.900 0.013 0.000 0.986 457 G CA 0.459 45.561 45.100 0.004 0.000 0.683 457 G HN 2.152 nan 8.290 nan 0.000 0.527 458 G N -2.802 106.012 108.800 0.023 0.000 2.141 458 G HA2 0.166 4.128 3.960 0.003 0.000 0.242 458 G HA3 0.166 4.128 3.960 0.003 0.000 0.242 458 G C 0.784 175.701 174.900 0.028 0.000 0.982 458 G CA 1.341 46.468 45.100 0.046 0.000 0.662 458 G HN 2.414 nan 8.290 nan 0.000 0.527 459 V N -3.647 116.218 119.914 -0.081 0.000 3.078 459 V HA 0.919 5.041 4.120 0.003 0.000 0.311 459 V C -2.459 173.286 176.094 -0.583 0.000 1.138 459 V CA -2.137 59.987 62.300 -0.294 0.000 1.007 459 V CB 2.373 34.138 31.823 -0.096 0.000 1.045 459 V HN 0.042 nan 8.190 nan 0.000 0.432 460 P HA 0.173 nan 4.420 nan 0.000 0.226 460 P C 0.113 177.235 177.300 -0.295 0.000 1.783 460 P CA 0.032 62.645 63.100 -0.812 0.000 0.980 460 P CB 0.101 31.328 31.700 -0.789 0.000 1.967 461 V N 3.975 123.775 119.914 -0.190 0.000 2.557 461 V HA -0.024 4.098 4.120 0.003 0.000 0.301 461 V C -1.688 174.373 176.094 -0.055 0.000 1.026 461 V CA -0.761 61.479 62.300 -0.100 0.000 1.137 461 V CB -0.538 31.248 31.823 -0.061 0.000 0.917 461 V HN 0.283 nan 8.190 nan 0.000 0.484 462 P HA 0.119 nan 4.420 nan 0.000 0.264 462 P C -0.290 177.009 177.300 -0.001 0.000 1.183 462 P CA 0.428 63.518 63.100 -0.017 0.000 0.763 462 P CB 0.469 32.157 31.700 -0.020 0.000 0.807 463 N N 1.103 119.811 118.700 0.014 0.000 3.339 463 N HA 0.136 4.877 4.740 0.003 0.000 0.275 463 N C -0.225 175.304 175.510 0.033 0.000 1.514 463 N CA -0.454 52.611 53.050 0.025 0.000 0.879 463 N CB 0.185 38.695 38.487 0.039 0.000 1.557 463 N HN 0.034 nan 8.380 nan 0.000 0.524 464 D N -1.033 119.389 120.400 0.037 0.000 2.234 464 D HA 0.071 4.712 4.640 0.003 0.000 0.205 464 D C 1.253 177.586 176.300 0.055 0.000 0.962 464 D CA 0.873 54.898 54.000 0.040 0.000 0.855 464 D CB 0.398 41.219 40.800 0.035 0.000 0.951 464 D HN 0.180 nan 8.370 nan 0.000 0.500 465 V N -0.824 119.131 119.914 0.067 0.000 2.690 465 V HA 0.111 4.233 4.120 0.003 0.000 0.240 465 V C 0.965 177.131 176.094 0.120 0.000 1.078 465 V CA 0.519 62.873 62.300 0.091 0.000 1.102 465 V CB 0.450 32.328 31.823 0.091 0.000 0.800 465 V HN -0.017 nan 8.190 nan 0.000 0.479 466 S N -0.008 115.763 115.700 0.118 0.000 2.687 466 S HA 0.451 4.922 4.470 0.003 0.000 0.283 466 S C -0.087 174.564 174.600 0.084 0.000 1.170 466 S CA -0.170 58.108 58.200 0.129 0.000 1.008 466 S CB 1.509 64.776 63.200 0.111 0.000 1.026 466 S HN 0.482 nan 8.310 nan 0.000 0.541 467 D N -0.338 120.120 120.400 0.098 0.000 2.914 467 D HA 0.410 5.051 4.640 0.003 0.000 0.349 467 D C 0.455 176.764 176.300 0.015 0.000 1.540 467 D CA 0.855 54.872 54.000 0.028 0.000 0.778 467 D CB -0.175 40.611 40.800 -0.024 0.000 1.213 467 D HN 0.814 nan 8.370 nan 0.000 0.451 468 G N 0.350 109.159 108.800 0.014 0.000 2.527 468 G HA2 0.279 4.241 3.960 0.003 0.000 0.227 468 G HA3 0.279 4.241 3.960 0.003 0.000 0.227 468 G C -0.124 174.848 174.900 0.119 0.000 1.291 468 G CA -0.150 44.938 45.100 -0.019 0.000 0.904 468 G HN 0.846 nan 8.290 nan 0.000 0.577 469 A N -1.634 121.225 122.820 0.065 0.000 2.483 469 A HA 0.834 5.156 4.320 0.003 0.000 0.286 469 A C -1.264 176.608 177.584 0.480 0.000 1.207 469 A CA 0.228 52.361 52.037 0.160 0.000 0.764 469 A CB 1.783 20.678 19.000 -0.174 0.000 1.341 469 A HN 2.211 nan 8.150 nan 0.000 0.428 470 Y N 0.547 121.043 120.300 0.327 0.000 2.331 470 Y HA 0.513 5.065 4.550 0.003 0.000 0.334 470 Y C 0.478 176.464 175.900 0.143 0.000 0.960 470 Y CA -1.463 56.759 58.100 0.203 0.000 1.130 470 Y CB 1.361 39.658 38.460 -0.272 0.000 1.164 470 Y HN 0.540 nan 8.280 nan 0.000 0.458 471 I N 4.164 124.636 120.570 -0.163 0.000 2.567 471 I HA -0.189 3.983 4.170 0.003 0.000 0.257 471 I C 1.323 177.052 176.117 -0.646 0.000 1.184 471 I CA 1.328 62.311 61.300 -0.529 0.000 1.451 471 I CB -0.432 37.349 38.000 -0.365 0.000 1.089 471 I HN 0.714 nan 8.210 nan 0.000 0.441 472 N N -0.183 117.832 118.700 -1.142 0.000 2.512 472 N HA -0.114 4.627 4.740 0.003 0.000 0.183 472 N C -0.132 174.724 175.510 -1.089 0.000 1.073 472 N CA 0.708 53.096 53.050 -1.103 0.000 0.911 472 N CB -0.106 37.667 38.487 -1.190 0.000 0.964 472 N HN 0.336 nan 8.380 nan 0.000 0.447 473 Y N 1.034 120.817 120.300 -0.861 0.000 2.783 473 Y HA 0.367 4.918 4.550 0.002 0.000 0.382 473 Y C -2.021 173.764 175.900 -0.190 0.000 1.076 473 Y CA -3.717 53.986 58.100 -0.662 0.000 1.530 473 Y CB -0.645 37.736 38.460 -0.132 0.000 1.546 473 Y HN -0.026 nan 8.280 nan 0.000 0.537 474 P HA 0.064 nan 4.420 nan 0.000 0.269 474 P C -0.262 177.092 177.300 0.089 0.000 1.209 474 P CA 0.199 63.250 63.100 -0.082 0.000 0.776 474 P CB 1.612 33.166 31.700 -0.243 0.000 0.876 475 D N 1.037 121.556 120.400 0.198 0.000 2.323 475 D HA 0.080 4.722 4.640 0.003 0.000 0.242 475 D C 1.119 177.489 176.300 0.117 0.000 1.347 475 D CA -0.448 53.638 54.000 0.143 0.000 0.988 475 D CB 0.596 41.473 40.800 0.128 0.000 1.314 475 D HN 0.168 nan 8.370 nan 0.000 0.564 476 S N 2.236 117.971 115.700 0.058 0.000 2.440 476 S HA -0.211 4.261 4.470 0.003 0.000 0.240 476 S C 1.210 175.824 174.600 0.023 0.000 1.014 476 S CA 0.949 59.164 58.200 0.026 0.000 0.980 476 S CB -0.065 63.154 63.200 0.032 0.000 0.775 476 S HN 0.381 nan 8.310 nan 0.000 0.499 477 D N 1.986 122.399 120.400 0.021 0.000 2.228 477 D HA -0.039 4.603 4.640 0.003 0.000 0.203 477 D C 1.679 178.000 176.300 0.035 0.000 0.988 477 D CA 0.861 54.866 54.000 0.008 0.000 0.864 477 D CB -0.442 40.333 40.800 -0.043 0.000 0.928 477 D HN 0.450 nan 8.370 nan 0.000 0.469 478 L N -0.114 121.148 121.223 0.065 0.000 2.456 478 L HA -0.016 4.325 4.340 0.003 0.000 0.224 478 L C 1.752 178.723 176.870 0.167 0.000 1.148 478 L CA 0.563 55.470 54.840 0.113 0.000 0.825 478 L CB -0.173 41.969 42.059 0.139 0.000 0.937 478 L HN -0.027 nan 8.230 nan 0.000 0.450 479 A N -1.592 121.299 122.820 0.118 0.000 2.465 479 A HA 0.083 4.404 4.320 0.003 0.000 0.255 479 A C -0.005 177.634 177.584 0.092 0.000 1.274 479 A CA -0.204 51.913 52.037 0.134 0.000 0.920 479 A CB -0.095 18.855 19.000 -0.083 0.000 1.033 479 A HN 0.167 nan 8.150 nan 0.000 0.516 480 D N 0.316 120.758 120.400 0.069 0.000 2.349 480 D HA 0.338 4.980 4.640 0.003 0.000 0.232 480 D C -1.692 174.639 176.300 0.052 0.000 1.071 480 D CA -2.101 51.929 54.000 0.051 0.000 0.832 480 D CB 1.902 42.722 40.800 0.034 0.000 1.086 480 D HN 0.008 nan 8.370 nan 0.000 0.504 481 P HA 0.025 nan 4.420 nan 0.000 0.230 481 P C 1.036 178.354 177.300 0.030 0.000 1.158 481 P CA 0.416 63.541 63.100 0.041 0.000 0.769 481 P CB 0.382 32.106 31.700 0.040 0.000 0.807 482 G N -1.052 107.763 108.800 0.026 0.000 2.880 482 G HA2 0.040 4.002 3.960 0.003 0.000 0.209 482 G HA3 0.040 4.002 3.960 0.003 0.000 0.209 482 G C 1.178 176.089 174.900 0.018 0.000 1.157 482 G CA 0.148 45.259 45.100 0.018 0.000 0.779 482 G HN 0.138 nan 8.290 nan 0.000 0.539 483 L N -0.439 120.800 121.223 0.027 0.000 2.600 483 L HA 0.368 4.710 4.340 0.003 0.000 0.213 483 L C 0.361 177.261 176.870 0.050 0.000 1.045 483 L CA 0.186 55.046 54.840 0.033 0.000 0.863 483 L CB -0.029 42.047 42.059 0.027 0.000 1.189 483 L HN 0.073 nan 8.230 nan 0.000 0.484 484 N N 0.214 118.943 118.700 0.048 0.000 2.500 484 N HA 0.094 4.836 4.740 0.003 0.000 0.236 484 N C 0.225 175.753 175.510 0.030 0.000 1.022 484 N CA 0.376 53.453 53.050 0.045 0.000 0.935 484 N CB 0.760 39.278 38.487 0.052 0.000 1.147 484 N HN 0.192 nan 8.380 nan 0.000 0.512 485 T N -0.538 114.029 114.554 0.022 0.000 3.248 485 T HA 0.208 4.560 4.350 0.003 0.000 0.271 485 T C 0.572 175.275 174.700 0.006 0.000 1.005 485 T CA -0.577 61.531 62.100 0.014 0.000 0.902 485 T CB -0.513 68.362 68.868 0.011 0.000 1.102 485 T HN 0.312 nan 8.240 nan 0.000 0.548 486 S N -0.249 115.451 115.700 -0.000 0.000 2.713 486 S HA 0.635 5.106 4.470 0.003 0.000 0.277 486 S C 1.507 176.101 174.600 -0.009 0.000 1.168 486 S CA -0.252 57.943 58.200 -0.009 0.000 0.994 486 S CB 0.859 64.045 63.200 -0.024 0.000 1.054 486 S HN 0.292 nan 8.310 nan 0.000 0.555 487 G N -0.614 108.179 108.800 -0.013 0.000 2.920 487 G HA2 0.280 4.241 3.960 0.003 0.000 0.208 487 G HA3 0.280 4.241 3.960 0.003 0.000 0.208 487 G C -0.067 174.817 174.900 -0.027 0.000 1.159 487 G CA -0.086 45.007 45.100 -0.011 0.000 0.784 487 G HN 0.559 nan 8.290 nan 0.000 0.535 488 V N 2.152 122.038 119.914 -0.045 0.000 2.383 488 V HA 0.275 4.396 4.120 0.003 0.000 0.275 488 V C -2.025 173.989 176.094 -0.133 0.000 1.036 488 V CA -1.888 60.361 62.300 -0.086 0.000 0.889 488 V CB 1.706 33.478 31.823 -0.085 0.000 0.985 488 V HN 0.004 nan 8.190 nan 0.000 0.459 489 P HA 0.031 nan 4.420 nan 0.000 0.272 489 P C 1.044 178.056 177.300 -0.480 0.000 1.223 489 P CA -0.377 62.472 63.100 -0.418 0.000 0.784 489 P CB 0.440 31.629 31.700 -0.852 0.000 0.923 490 W N 3.677 124.819 121.300 -0.264 0.000 2.290 490 W HA -0.304 4.357 4.660 0.002 0.000 0.318 490 W C 1.257 177.717 176.519 -0.097 0.000 1.248 490 W CA 2.096 59.366 57.345 -0.124 0.000 1.263 490 W CB -2.243 27.262 29.460 0.076 0.000 1.147 490 W HN 0.553 nan 8.180 nan 0.000 0.494 491 H N -0.485 117.923 119.070 -1.103 0.000 2.489 491 H HA -0.033 4.524 4.556 0.002 0.000 0.293 491 H C 1.266 176.306 175.328 -0.481 0.000 1.066 491 H CA 1.619 57.020 56.048 -1.078 0.000 1.305 491 H CB -1.050 27.608 29.762 -1.839 0.000 1.386 491 H HN 0.046 nan 8.280 nan 0.000 0.551 492 D N 0.566 120.724 120.400 -0.403 0.000 2.213 492 D HA -0.013 4.629 4.640 0.003 0.000 0.205 492 D C 2.170 178.398 176.300 -0.121 0.000 0.961 492 D CA 0.557 54.471 54.000 -0.144 0.000 0.853 492 D CB -0.067 40.646 40.800 -0.145 0.000 0.967 492 D HN 0.370 nan 8.370 nan 0.000 0.496 493 L N -0.183 120.915 121.223 -0.207 0.000 2.012 493 L HA -0.212 4.130 4.340 0.003 0.000 0.210 493 L C 2.308 179.014 176.870 -0.273 0.000 1.073 493 L CA 1.211 55.900 54.840 -0.253 0.000 0.748 493 L CB -0.525 41.321 42.059 -0.356 0.000 0.891 493 L HN 0.063 nan 8.230 nan 0.000 0.431 494 Y N -1.768 118.450 120.300 -0.136 0.000 2.206 494 Y HA -0.169 4.383 4.550 0.002 0.000 0.292 494 Y C 2.111 177.874 175.900 -0.228 0.000 1.123 494 Y CA 1.275 59.206 58.100 -0.282 0.000 1.142 494 Y CB -0.378 37.666 38.460 -0.693 0.000 1.006 494 Y HN 0.038 nan 8.280 nan 0.000 0.518 495 Y N -1.425 118.997 120.300 0.203 0.000 2.498 495 Y HA 0.179 4.730 4.550 0.002 0.000 0.259 495 Y C 1.276 177.255 175.900 0.131 0.000 1.086 495 Y CA -0.751 57.452 58.100 0.172 0.000 1.287 495 Y CB -0.148 38.435 38.460 0.206 0.000 1.146 495 Y HN -0.124 nan 8.280 nan 0.000 0.523 496 K N -0.662 119.865 120.400 0.213 0.000 1.699 496 K HA -0.309 4.012 4.320 0.003 0.000 0.127 496 K C 1.634 178.353 176.600 0.199 0.000 1.157 496 K CA 1.304 57.678 56.287 0.143 0.000 0.341 496 K CB -1.659 30.892 32.500 0.085 0.000 0.645 496 K HN 0.393 nan 8.250 nan 0.000 0.848 497 G N 0.573 109.470 108.800 0.161 0.000 2.679 497 G HA2 -0.156 3.806 3.960 0.003 0.000 0.212 497 G HA3 -0.156 3.806 3.960 0.003 0.000 0.212 497 G C 0.922 175.939 174.900 0.195 0.000 1.137 497 G CA 0.875 46.066 45.100 0.152 0.000 0.787 497 G HN 0.339 nan 8.290 nan 0.000 0.534 498 N N -0.138 118.726 118.700 0.273 0.000 2.422 498 N HA 0.003 4.745 4.740 0.003 0.000 0.181 498 N C 1.602 177.317 175.510 0.341 0.000 1.080 498 N CA 0.275 53.551 53.050 0.376 0.000 0.893 498 N CB -0.164 38.574 38.487 0.419 0.000 0.973 498 N HN 0.449 nan 8.380 nan 0.000 0.456 499 H N 1.905 121.081 119.070 0.177 0.000 2.290 499 H HA -0.020 4.537 4.556 0.002 0.000 0.298 499 H C -0.849 174.489 175.328 0.017 0.000 1.087 499 H CA 1.711 57.802 56.048 0.071 0.000 1.291 499 H CB -0.984 28.847 29.762 0.115 0.000 1.369 499 H HN 0.074 nan 8.280 nan 0.000 0.492 500 P HA -0.242 nan 4.420 nan 0.000 0.219 500 P C 1.456 178.674 177.300 -0.136 0.000 1.161 500 P CA 2.367 65.369 63.100 -0.163 0.000 0.909 500 P CB -0.150 31.514 31.700 -0.060 0.000 0.793 501 R N -0.580 119.879 120.500 -0.068 0.000 2.115 501 R HA -0.018 4.323 4.340 0.003 0.000 0.226 501 R C 2.250 178.582 176.300 0.054 0.000 1.100 501 R CA 0.852 56.886 56.100 -0.110 0.000 0.980 501 R CB -0.674 29.373 30.300 -0.422 0.000 0.875 501 R HN 0.168 nan 8.270 nan 0.000 0.445 502 L N -0.189 121.132 121.223 0.162 0.000 2.217 502 L HA -0.069 4.273 4.340 0.003 0.000 0.211 502 L C 2.486 179.396 176.870 0.066 0.000 1.107 502 L CA 1.123 56.051 54.840 0.146 0.000 0.783 502 L CB -0.210 41.836 42.059 -0.022 0.000 0.919 502 L HN 0.127 nan 8.230 nan 0.000 0.442 503 R N -0.336 120.101 120.500 -0.105 0.000 2.115 503 R HA -0.078 4.264 4.340 0.003 0.000 0.226 503 R C 2.281 178.569 176.300 -0.020 0.000 1.100 503 R CA 0.680 56.714 56.100 -0.110 0.000 0.980 503 R CB -0.005 30.125 30.300 -0.282 0.000 0.875 503 R HN 0.247 nan 8.270 nan 0.000 0.445 504 K N 0.319 120.703 120.400 -0.025 0.000 2.002 504 K HA -0.121 4.201 4.320 0.003 0.000 0.209 504 K C 2.029 178.671 176.600 0.069 0.000 1.048 504 K CA 1.507 57.793 56.287 -0.001 0.000 0.930 504 K CB -0.148 32.334 32.500 -0.029 0.000 0.714 504 K HN 0.032 nan 8.250 nan 0.000 0.438 505 V N 1.710 121.691 119.914 0.111 0.000 2.343 505 V HA -0.249 3.872 4.120 0.003 0.000 0.247 505 V C 2.339 178.625 176.094 0.319 0.000 1.051 505 V CA 1.822 64.240 62.300 0.196 0.000 1.036 505 V CB -0.476 31.320 31.823 -0.045 0.000 0.654 505 V HN 0.275 nan 8.190 nan 0.000 0.451 506 K N 1.451 122.054 120.400 0.338 0.000 2.063 506 K HA -0.129 4.193 4.320 0.003 0.000 0.208 506 K C 1.975 178.715 176.600 0.234 0.000 1.048 506 K CA 1.972 58.485 56.287 0.377 0.000 0.928 506 K CB -0.701 31.951 32.500 0.253 0.000 0.713 506 K HN 0.405 nan 8.250 nan 0.000 0.442 507 A N 0.107 123.010 122.820 0.139 0.000 1.930 507 A HA 0.158 4.480 4.320 0.003 0.000 0.215 507 A C 2.326 179.928 177.584 0.031 0.000 1.176 507 A CA 1.475 53.553 52.037 0.068 0.000 0.632 507 A CB -0.816 18.199 19.000 0.025 0.000 0.819 507 A HN 0.402 nan 8.150 nan 0.000 0.445 508 A N -1.485 121.335 122.820 0.001 0.000 1.898 508 A HA 0.008 4.330 4.320 0.003 0.000 0.216 508 A C 1.968 179.381 177.584 -0.285 0.000 1.181 508 A CA 1.585 53.497 52.037 -0.207 0.000 0.620 508 A CB -0.560 18.228 19.000 -0.353 0.000 0.819 508 A HN 0.586 nan 8.150 nan 0.000 0.442 509 Y N -1.965 118.403 120.300 0.113 0.000 2.535 509 Y HA 0.211 4.763 4.550 0.002 0.000 0.266 509 Y C 0.564 176.563 175.900 0.166 0.000 1.088 509 Y CA 0.287 58.464 58.100 0.128 0.000 1.285 509 Y CB 0.608 39.142 38.460 0.123 0.000 1.166 509 Y HN 0.275 nan 8.280 nan 0.000 0.525 510 D N 0.511 121.101 120.400 0.317 0.000 2.795 510 D HA 0.191 4.832 4.640 0.003 0.000 0.335 510 D C -2.041 174.368 176.300 0.182 0.000 1.262 510 D CA -2.389 51.783 54.000 0.285 0.000 0.885 510 D CB 0.563 41.582 40.800 0.364 0.000 1.047 510 D HN -0.001 nan 8.370 nan 0.000 0.500 511 P HA -0.132 nan 4.420 nan 0.000 0.221 511 P C 0.950 178.289 177.300 0.065 0.000 1.145 511 P CA 0.637 63.780 63.100 0.071 0.000 0.795 511 P CB 0.332 32.056 31.700 0.040 0.000 0.775 512 R N -1.059 119.491 120.500 0.083 0.000 2.297 512 R HA 0.056 4.397 4.340 0.003 0.000 0.197 512 R C 0.669 177.012 176.300 0.071 0.000 0.943 512 R CA 0.156 56.296 56.100 0.068 0.000 1.038 512 R CB -0.794 29.549 30.300 0.071 0.000 0.957 512 R HN 0.058 nan 8.270 nan 0.000 0.484 513 N N 0.593 119.352 118.700 0.098 0.000 2.721 513 N HA -0.276 4.465 4.740 0.003 0.000 0.249 513 N C 0.598 176.168 175.510 0.100 0.000 1.072 513 N CA 0.573 53.674 53.050 0.085 0.000 0.710 513 N CB -1.312 37.172 38.487 -0.005 0.000 0.993 513 N HN 0.449 nan 8.380 nan 0.000 0.547 514 H N -0.980 118.083 119.070 -0.011 0.000 2.421 514 H HA -0.065 4.492 4.556 0.002 0.000 0.298 514 H C -0.268 174.846 175.328 -0.358 0.000 1.087 514 H CA 1.256 57.179 56.048 -0.209 0.000 1.330 514 H CB 0.065 29.591 29.762 -0.392 0.000 1.388 514 H HN 0.333 nan 8.280 nan 0.000 0.526 515 F N 2.582 122.580 119.950 0.080 0.000 2.334 515 F HA 0.266 4.795 4.527 0.004 0.000 0.367 515 F C 0.524 176.255 175.800 -0.115 0.000 1.115 515 F CA -0.578 57.381 58.000 -0.067 0.000 1.116 515 F CB 0.688 39.656 39.000 -0.054 0.000 1.230 515 F HN 0.159 nan 8.300 nan 0.000 0.484 516 H N 1.745 120.718 119.070 -0.162 0.000 2.990 516 H HA 0.666 5.224 4.556 0.003 0.000 0.343 516 H C -1.347 173.759 175.328 -0.371 0.000 1.270 516 H CA -0.835 55.016 56.048 -0.327 0.000 1.118 516 H CB 2.334 31.961 29.762 -0.226 0.000 1.861 516 H HN 0.733 nan 8.280 nan 0.000 0.544 517 H N -2.365 116.543 119.070 -0.270 0.000 2.863 517 H HA 0.438 4.996 4.556 0.002 0.000 0.274 517 H C -0.068 175.002 175.328 -0.430 0.000 1.457 517 H CA -0.340 55.444 56.048 -0.440 0.000 1.151 517 H CB 1.040 30.301 29.762 -0.834 0.000 1.844 517 H HN 0.602 nan 8.280 nan 0.000 0.562 518 A N 0.276 122.997 122.820 -0.165 0.000 2.076 518 A HA -0.061 4.261 4.320 0.003 0.000 0.220 518 A C 1.093 178.474 177.584 -0.338 0.000 1.160 518 A CA 1.824 53.775 52.037 -0.144 0.000 0.653 518 A CB -0.355 18.651 19.000 0.010 0.000 0.801 518 A HN 0.276 nan 8.150 nan 0.000 0.455 519 L N 0.015 121.022 121.223 -0.359 0.000 3.366 519 L HA 0.204 4.546 4.340 0.003 0.000 0.304 519 L C 0.525 177.171 176.870 -0.373 0.000 1.292 519 L CA 0.102 54.537 54.840 -0.675 0.000 1.012 519 L CB 0.263 42.087 42.059 -0.392 0.000 1.414 519 L HN 0.299 nan 8.230 nan 0.000 0.603 520 S N -0.861 114.569 115.700 -0.450 0.000 2.537 520 S HA 0.580 5.052 4.470 0.003 0.000 0.275 520 S C 0.378 175.044 174.600 0.111 0.000 1.272 520 S CA -0.620 57.338 58.200 -0.404 0.000 1.050 520 S CB 1.067 63.788 63.200 -0.799 0.000 0.961 520 S HN 0.152 nan 8.310 nan 0.000 0.496 521 I N 3.138 123.811 120.570 0.171 0.000 2.826 521 I HA 0.050 4.221 4.170 0.003 0.000 0.295 521 I C 0.543 176.743 176.117 0.138 0.000 1.213 521 I CA 0.411 61.856 61.300 0.241 0.000 1.436 521 I CB -0.058 37.996 38.000 0.091 0.000 1.348 521 I HN 0.689 nan 8.210 nan 0.000 0.570 522 R N 6.600 127.207 120.500 0.178 0.000 2.750 522 R HA 0.753 5.094 4.340 0.003 0.000 0.281 522 R C -2.645 173.682 176.300 0.045 0.000 0.972 522 R CA -2.131 54.032 56.100 0.104 0.000 0.912 522 R CB -0.480 29.903 30.300 0.140 0.000 1.187 522 R HN 0.187 nan 8.270 nan 0.000 0.464 523 P HA 0.000 nan 4.420 nan 0.000 0.216 523 P CA 0.000 63.097 63.100 -0.004 0.000 0.800 523 P CB 0.000 31.701 31.700 0.001 0.000 0.726