REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ixw_1_L DATA FIRST_RESID 1 DATA SEQUENCE TVADKQARLM PLFKHLTALT REKLPLDQRD ERLKGVGILP RGTLFSCFHA DATA SEQUENCE RHLAEATELY VALYGAKDFN DFIHLCEQAR QIVNEGMFVY AVSVAVLHRE DATA SEQUENCE DCKGITVPPI QEVFPDRFVP AETINRANKE ASNHPDQQSI VVEAEETGNI DATA SEQUENCE LDPEYKLSYF REDIGINAHH WHWHIVYPAT WNPTVMGKEK DRKGELFFYM DATA SEQUENCE HQQMCARYDS ERLSNGLQRM IPFHNFDEPL EGYAPHLTSL VSGLQYASRP DATA SEQUENCE EGYSIHDLSD VDVQDMVRWR ERILDAINMH YIVDKDNNKI PLDIEHGTDI DATA SEQUENCE LGDIIESSDE SKNVEYYGSL HNWGHVMMAN ITDPDHRFQE NPGVMSDTST DATA SEQUENCE SLRDPIFYRW HRFIDNIFQE HKKSFHPYTK EELSFPGVEV VGVSINSKTA DATA SEQUENCE NVITTLIKES LLELSHGINF GTDQSVKVKY HHLDHEPFTY NIVVENNSGA DATA SEQUENCE EKHSTVRIFL APKYDELNNK LEPDEQRRLF IELDKFFYTL TPGKNTIVRN DATA SEQUENCE HQDSSVTISK VRTFDQLGAG EGVSEDSTEY CSCGWPEHML IPRGSHKGME DATA SEQUENCE FELFVMLTDH DEDTVAGLSE NAVCSDAVSY CGARDDRYPD KKAMGFPFDR DATA SEQUENCE KIEARTAAEF LTPNMGLTDI KIKFHG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.486 174.700 -0.357 0.000 1.109 1 T CA 0.000 61.984 62.100 -0.194 0.000 1.349 1 T CB 0.000 68.806 68.868 -0.103 0.000 0.612 2 V N 1.836 121.531 119.914 -0.365 0.000 2.759 2 V HA -0.143 nan 4.120 nan 0.000 0.256 2 V C 1.184 177.102 176.094 -0.294 0.000 1.080 2 V CA 2.487 64.530 62.300 -0.427 0.000 1.101 2 V CB -0.525 31.085 31.823 -0.353 0.000 0.698 2 V HN 0.557 8.582 8.190 -0.275 0.000 0.477 3 A N 0.094 122.800 122.820 -0.189 0.000 1.835 3 A HA -0.321 nan 4.320 nan 0.000 0.215 3 A C 0.575 178.107 177.584 -0.087 0.000 1.199 3 A CA 3.539 55.505 52.037 -0.118 0.000 0.615 3 A CB -0.868 18.089 19.000 -0.073 0.000 0.838 3 A HN -0.093 7.942 8.150 -0.173 0.011 0.444 4 D N -1.909 118.459 120.400 -0.054 0.000 2.221 4 D HA -0.276 nan 4.640 nan 0.000 0.204 4 D C 2.217 178.582 176.300 0.109 0.000 0.982 4 D CA 2.943 56.971 54.000 0.046 0.000 0.857 4 D CB -0.607 40.253 40.800 0.100 0.000 0.934 4 D HN 0.037 8.367 8.370 -0.067 0.000 0.475 5 K N 0.267 120.579 120.400 -0.147 0.000 1.987 5 K HA -0.450 nan 4.320 nan 0.000 0.216 5 K C 2.463 179.102 176.600 0.065 0.000 1.051 5 K CA 2.977 59.076 56.287 -0.313 0.000 0.942 5 K CB -0.180 31.704 32.500 -1.026 0.000 0.722 5 K HN -0.123 7.922 8.250 -0.306 0.021 0.444 6 Q N -2.386 117.373 119.800 -0.068 0.000 2.077 6 Q HA -0.340 nan 4.340 nan 0.000 0.206 6 Q C 2.484 178.508 176.000 0.040 0.000 0.989 6 Q CA 2.878 58.662 55.803 -0.031 0.000 0.853 6 Q CB -0.026 28.657 28.738 -0.092 0.000 0.907 6 Q HN -0.585 7.577 8.270 -0.179 0.000 0.418 7 A N -3.688 119.170 122.820 0.062 0.000 2.239 7 A HA -0.150 nan 4.320 nan 0.000 0.209 7 A C 0.763 178.442 177.584 0.159 0.000 1.171 7 A CA 1.557 53.652 52.037 0.097 0.000 0.768 7 A CB -0.678 18.370 19.000 0.080 0.000 0.790 7 A HN -0.073 8.030 8.150 0.033 0.067 0.478 8 R N -3.310 117.328 120.500 0.230 0.000 2.121 8 R HA 0.081 nan 4.340 nan 0.000 0.206 8 R C 1.915 178.368 176.300 0.254 0.000 1.094 8 R CA 2.110 58.361 56.100 0.251 0.000 1.055 8 R CB 0.649 31.135 30.300 0.310 0.000 0.964 8 R HN -0.612 7.655 8.270 0.262 0.160 0.473 9 L N 0.255 121.651 121.223 0.288 0.000 1.976 9 L HA -0.351 nan 4.340 nan 0.000 0.209 9 L C 2.309 179.384 176.870 0.342 0.000 1.071 9 L CA 3.811 58.840 54.840 0.315 0.000 0.746 9 L CB -0.090 42.115 42.059 0.243 0.000 0.890 9 L HN -0.579 7.838 8.230 0.311 0.000 0.432 10 M N -2.715 116.961 119.600 0.127 0.000 2.117 10 M HA -0.283 nan 4.480 nan 0.000 0.262 10 M C -1.109 175.412 176.300 0.368 0.000 1.065 10 M CA 5.606 60.962 55.300 0.093 0.000 1.114 10 M CB -2.422 29.983 32.600 -0.326 0.000 1.361 10 M HN -0.559 7.772 8.290 0.069 0.000 0.408 11 P HA -0.282 nan 4.420 nan 0.000 0.217 11 P C 0.317 177.769 177.300 0.254 0.000 1.151 11 P CA 2.914 66.167 63.100 0.256 0.000 0.849 11 P CB -0.587 31.227 31.700 0.189 0.000 0.787 12 L N -5.500 115.894 121.223 0.285 0.000 2.093 12 L HA -0.219 nan 4.340 nan 0.000 0.208 12 L C 1.390 178.375 176.870 0.191 0.000 1.085 12 L CA 1.875 56.842 54.840 0.212 0.000 0.755 12 L CB -0.020 42.158 42.059 0.198 0.000 0.904 12 L HN -0.749 7.582 8.230 0.313 0.087 0.435 13 F N -4.497 115.566 119.950 0.189 0.000 2.802 13 F HA -0.139 nan 4.527 nan 0.000 0.300 13 F C 0.443 176.324 175.800 0.136 0.000 1.168 13 F CA 1.213 59.337 58.000 0.207 0.000 1.433 13 F CB -0.223 38.976 39.000 0.333 0.000 1.115 13 F HN -0.570 8.151 8.300 0.819 0.070 0.582 14 K N 0.572 121.124 120.400 0.254 0.000 2.110 14 K HA -0.140 nan 4.320 nan 0.000 0.260 14 K C -1.324 175.079 176.600 -0.328 0.000 1.126 14 K CA 0.629 56.834 56.287 -0.135 0.000 1.005 14 K CB -1.291 31.191 32.500 -0.030 0.000 1.336 14 K HN -0.347 7.950 8.250 0.356 0.166 0.369 15 H N -1.848 117.192 119.070 -0.050 0.000 3.138 15 H HA -0.359 nan 4.556 nan 0.000 0.337 15 H C -0.617 174.649 175.328 -0.104 0.000 1.347 15 H CA -0.124 55.862 56.048 -0.103 0.000 1.254 15 H CB -3.369 26.314 29.762 -0.132 0.000 1.456 15 H HN 0.241 8.272 8.280 -0.374 0.025 0.453 16 L N -0.348 120.819 121.223 -0.094 0.000 1.933 16 L HA -0.336 nan 4.340 nan 0.000 0.220 16 L C 1.139 177.943 176.870 -0.110 0.000 1.078 16 L CA 3.094 57.833 54.840 -0.169 0.000 0.773 16 L CB -0.314 41.561 42.059 -0.307 0.000 0.890 16 L HN -0.137 8.014 8.230 -0.132 0.000 0.434 17 T N 0.458 114.974 114.554 -0.064 0.000 2.653 17 T HA -0.541 nan 4.350 nan 0.000 0.267 17 T C 1.946 176.641 174.700 -0.008 0.000 1.037 17 T CA 4.317 66.432 62.100 0.025 0.000 1.159 17 T CB -1.033 67.890 68.868 0.091 0.000 0.859 17 T HN 0.293 8.467 8.240 -0.111 0.000 0.449 18 A N 0.582 123.389 122.820 -0.022 0.000 2.186 18 A HA -0.169 nan 4.320 nan 0.000 0.219 18 A C 1.969 179.521 177.584 -0.053 0.000 1.159 18 A CA 2.261 54.277 52.037 -0.035 0.000 0.680 18 A CB -1.189 17.788 19.000 -0.039 0.000 0.787 18 A HN 0.021 8.141 8.150 -0.020 0.018 0.467 19 L N -3.057 118.125 121.223 -0.068 0.000 2.131 19 L HA -0.303 nan 4.340 nan 0.000 0.210 19 L C 1.619 178.418 176.870 -0.117 0.000 1.092 19 L CA 2.212 56.995 54.840 -0.094 0.000 0.759 19 L CB -0.334 41.654 42.059 -0.119 0.000 0.903 19 L HN -0.159 7.972 8.230 -0.066 0.059 0.435 20 T N -2.371 112.122 114.554 -0.102 0.000 2.649 20 T HA -0.289 nan 4.350 nan 0.000 0.268 20 T C 0.434 175.077 174.700 -0.095 0.000 1.036 20 T CA 2.654 64.693 62.100 -0.102 0.000 1.157 20 T CB -0.093 68.742 68.868 -0.055 0.000 0.861 20 T HN -0.411 7.782 8.240 -0.079 0.000 0.445 21 R N 0.828 121.285 120.500 -0.072 0.000 2.202 21 R HA 0.132 nan 4.340 nan 0.000 0.334 21 R C -0.782 175.476 176.300 -0.070 0.000 1.036 21 R CA 0.344 56.405 56.100 -0.065 0.000 0.878 21 R CB 0.497 30.768 30.300 -0.049 0.000 1.067 21 R HN -0.644 7.589 8.270 -0.062 0.000 0.457 22 E N 4.993 125.148 120.200 -0.075 0.000 1.980 22 E HA 0.158 nan 4.350 nan 0.000 0.139 22 E C -2.417 174.145 176.600 -0.063 0.000 1.408 22 E CA -2.116 54.243 56.400 -0.069 0.000 0.911 22 E CB 3.383 33.032 29.700 -0.084 0.000 2.060 22 E HN -0.039 8.273 8.360 -0.080 0.000 0.556 23 K N -0.073 120.290 120.400 -0.061 0.000 2.604 23 K HA 0.180 nan 4.320 nan 0.000 0.247 23 K C -1.622 174.947 176.600 -0.051 0.000 0.956 23 K CA -0.595 55.662 56.287 -0.050 0.000 0.896 23 K CB 1.008 33.485 32.500 -0.038 0.000 1.131 23 K HN 0.164 8.374 8.250 -0.066 0.000 0.440 24 L N 5.597 126.789 121.223 -0.053 0.000 2.406 24 L HA 0.384 nan 4.340 nan 0.000 0.272 24 L C -1.971 174.877 176.870 -0.037 0.000 0.980 24 L CA -2.615 52.197 54.840 -0.047 0.000 0.831 24 L CB 1.758 43.780 42.059 -0.062 0.000 1.253 24 L HN 0.141 8.338 8.230 -0.056 0.000 0.406 25 P HA 0.056 nan 4.420 nan 0.000 0.219 25 P C -1.309 175.978 177.300 -0.021 0.000 1.154 25 P CA 0.531 63.617 63.100 -0.023 0.000 0.826 25 P CB 0.563 32.253 31.700 -0.018 0.000 0.795 26 L N 0.015 121.225 121.223 -0.020 0.000 2.476 26 L HA 0.257 nan 4.340 nan 0.000 0.269 26 L C 0.366 177.225 176.870 -0.019 0.000 0.965 26 L CA -0.809 54.020 54.840 -0.017 0.000 0.845 26 L CB 2.532 44.583 42.059 -0.012 0.000 1.259 26 L HN -0.688 7.529 8.230 -0.021 0.000 0.403 27 D N 3.963 124.351 120.400 -0.021 0.000 2.203 27 D HA -0.443 nan 4.640 nan 0.000 0.199 27 D C 0.791 177.082 176.300 -0.016 0.000 0.997 27 D CA 2.991 56.978 54.000 -0.022 0.000 0.863 27 D CB -0.206 40.583 40.800 -0.019 0.000 0.928 27 D HN 0.619 8.977 8.370 -0.020 0.000 0.458 28 Q N -0.689 119.104 119.800 -0.010 0.000 2.242 28 Q HA -0.357 nan 4.340 nan 0.000 0.211 28 Q C 2.282 178.280 176.000 -0.003 0.000 0.992 28 Q CA 2.480 58.280 55.803 -0.005 0.000 0.889 28 Q CB -1.164 27.572 28.738 -0.003 0.000 0.913 28 Q HN 0.258 8.486 8.270 -0.011 0.035 0.422 29 R N -0.917 119.581 120.500 -0.004 0.000 2.159 29 R HA -0.351 nan 4.340 nan 0.000 0.252 29 R C 1.491 177.791 176.300 0.001 0.000 1.144 29 R CA 1.999 58.099 56.100 -0.000 0.000 0.961 29 R CB -0.308 29.989 30.300 -0.003 0.000 0.877 29 R HN -0.581 7.663 8.270 -0.007 0.022 0.444 30 D N -1.726 118.670 120.400 -0.006 0.000 2.590 30 D HA 0.323 nan 4.640 nan 0.000 0.280 30 D C -0.287 176.013 176.300 0.001 0.000 1.197 30 D CA -0.588 53.410 54.000 -0.003 0.000 0.967 30 D CB -0.211 40.583 40.800 -0.011 0.000 0.987 30 D HN -0.194 8.155 8.370 -0.010 0.015 0.508 31 E N 1.841 122.044 120.200 0.005 0.000 2.197 31 E HA -0.544 nan 4.350 nan 0.000 0.205 31 E C 1.836 178.442 176.600 0.010 0.000 1.029 31 E CA 3.496 59.900 56.400 0.007 0.000 0.828 31 E CB -0.509 29.196 29.700 0.010 0.000 0.737 31 E HN -0.305 7.989 8.360 0.005 0.069 0.464 32 R N -1.677 118.830 120.500 0.013 0.000 2.143 32 R HA -0.307 nan 4.340 nan 0.000 0.239 32 R C 1.556 177.864 176.300 0.015 0.000 1.126 32 R CA 2.261 58.371 56.100 0.017 0.000 0.927 32 R CB -0.263 30.050 30.300 0.021 0.000 0.860 32 R HN 0.097 8.387 8.270 0.013 -0.012 0.433 33 L N -3.617 117.612 121.223 0.009 0.000 2.627 33 L HA 0.137 nan 4.340 nan 0.000 0.232 33 L C 0.207 177.077 176.870 0.001 0.000 1.150 33 L CA -0.907 53.935 54.840 0.005 0.000 0.917 33 L CB -0.969 41.092 42.059 0.002 0.000 1.104 33 L HN -0.121 8.015 8.230 0.006 0.098 0.445 34 K N 0.397 120.799 120.400 0.003 0.000 2.163 34 K HA -0.460 nan 4.320 nan 0.000 0.222 34 K C 1.129 177.731 176.600 0.003 0.000 0.990 34 K CA 2.846 59.135 56.287 0.003 0.000 0.959 34 K CB -1.482 31.022 32.500 0.008 0.000 0.882 34 K HN -0.580 7.587 8.250 0.005 0.086 0.472 35 G N -3.447 105.357 108.800 0.007 0.000 3.393 35 G HA2 0.101 nan 3.960 nan 0.000 0.255 35 G HA3 0.101 nan 3.960 nan 0.000 0.255 35 G C -1.702 173.204 174.900 0.010 0.000 1.097 35 G CA -0.698 44.409 45.100 0.010 0.000 0.780 35 G HN 0.098 8.354 8.290 0.007 0.038 0.540 36 V N -0.188 119.727 119.914 0.001 0.000 2.525 36 V HA 0.335 nan 4.120 nan 0.000 0.299 36 V C -1.577 174.507 176.094 -0.017 0.000 1.034 36 V CA -0.557 61.740 62.300 -0.005 0.000 0.863 36 V CB 0.867 32.682 31.823 -0.013 0.000 0.999 36 V HN -0.553 7.558 8.190 -0.002 0.078 0.423 37 G N 7.880 116.669 108.800 -0.018 0.000 4.820 37 G HA2 0.068 nan 3.960 nan 0.000 0.223 37 G HA3 0.068 nan 3.960 nan 0.000 0.223 37 G C -0.694 174.192 174.900 -0.023 0.000 1.029 37 G CA 1.036 46.117 45.100 -0.031 0.000 1.144 37 G HN 0.442 8.729 8.290 -0.006 0.000 0.618 38 I N -4.328 116.236 120.570 -0.010 0.000 3.817 38 I HA 0.116 nan 4.170 nan 0.000 0.325 38 I C -1.559 174.574 176.117 0.028 0.000 1.550 38 I CA -0.182 61.124 61.300 0.011 0.000 1.100 38 I CB 0.259 38.275 38.000 0.027 0.000 1.216 38 I HN -0.435 7.768 8.210 -0.012 0.000 0.481 39 L N 2.920 124.137 121.223 -0.010 0.000 2.401 39 L HA 0.495 nan 4.340 nan 0.000 0.263 39 L C -2.739 174.099 176.870 -0.053 0.000 1.004 39 L CA -2.924 51.898 54.840 -0.029 0.000 0.881 39 L CB 1.707 43.687 42.059 -0.133 0.000 1.219 39 L HN -0.742 7.467 8.230 -0.036 0.000 0.441 40 P HA 0.288 nan 4.420 nan 0.000 0.280 40 P C -1.064 176.213 177.300 -0.040 0.000 1.300 40 P CA -0.623 62.455 63.100 -0.036 0.000 0.785 40 P CB -0.053 31.633 31.700 -0.023 0.000 0.874 41 R N 5.074 125.543 120.500 -0.052 0.000 3.559 41 R HA -0.411 nan 4.340 nan 0.000 0.569 41 R C 0.140 176.420 176.300 -0.033 0.000 0.241 41 R CA 1.502 57.575 56.100 -0.045 0.000 1.762 41 R CB -2.179 28.098 30.300 -0.038 0.000 0.881 41 R HN -0.128 8.104 8.270 -0.062 0.000 0.615 42 G N 0.552 109.341 108.800 -0.019 0.000 3.263 42 G HA2 -0.025 nan 3.960 nan 0.000 0.246 42 G HA3 -0.025 nan 3.960 nan 0.000 0.246 42 G C -0.922 173.974 174.900 -0.007 0.000 0.982 42 G CA -0.473 44.621 45.100 -0.010 0.000 1.897 42 G HN 0.340 8.620 8.290 -0.017 0.000 0.624 43 T N -0.680 113.871 114.554 -0.006 0.000 2.794 43 T HA 0.175 nan 4.350 nan 0.000 0.304 43 T C 1.230 175.946 174.700 0.027 0.000 0.973 43 T CA -1.606 60.501 62.100 0.011 0.000 0.972 43 T CB 0.482 69.356 68.868 0.011 0.000 0.952 43 T HN -0.571 7.566 8.240 -0.016 0.093 0.509 44 L N 6.282 127.527 121.223 0.036 0.000 2.949 44 L HA -0.102 nan 4.340 nan 0.000 0.263 44 L C -0.230 176.686 176.870 0.077 0.000 1.190 44 L CA -0.146 54.712 54.840 0.030 0.000 1.022 44 L CB -1.507 40.543 42.059 -0.014 0.000 1.313 44 L HN 0.443 8.698 8.230 0.042 0.000 0.413 45 F N -1.395 118.499 119.950 -0.094 0.000 2.121 45 F HA -0.404 nan 4.527 nan 0.000 0.470 45 F C -1.585 174.184 175.800 -0.052 0.000 1.232 45 F CA 0.005 57.928 58.000 -0.130 0.000 1.518 45 F CB -0.095 38.795 39.000 -0.184 0.000 2.410 45 F HN -0.650 7.737 8.300 0.145 0.000 0.729 46 S N 5.208 120.805 115.700 -0.173 0.000 2.422 46 S HA 0.222 nan 4.470 nan 0.000 0.298 46 S C 1.560 175.698 174.600 -0.769 0.000 1.118 46 S CA -1.241 56.755 58.200 -0.341 0.000 1.083 46 S CB 1.181 64.338 63.200 -0.072 0.000 0.971 46 S HN 0.289 8.706 8.310 0.179 0.000 0.478 47 C N 9.328 127.895 119.300 -1.221 0.000 2.419 47 C HA -0.176 nan 4.460 nan 0.000 0.283 47 C C 0.641 174.976 174.990 -1.091 0.000 1.373 47 C CA 2.211 60.342 59.018 -1.479 0.000 1.781 47 C CB -1.170 25.697 27.740 -1.454 0.000 1.886 47 C HN 1.061 8.707 8.230 -0.972 0.000 0.520 48 F N -5.210 114.545 119.950 -0.326 0.000 2.695 48 F HA 0.147 nan 4.527 nan 0.000 0.303 48 F C -0.527 175.079 175.800 -0.323 0.000 1.091 48 F CA -0.754 57.037 58.000 -0.348 0.000 1.300 48 F CB -0.079 38.721 39.000 -0.333 0.000 1.071 48 F HN -0.651 7.324 8.300 -0.496 0.027 0.578 49 H N 2.063 121.085 119.070 -0.079 0.000 3.026 49 H HA -0.079 nan 4.556 nan 0.000 0.289 49 H C 0.879 176.193 175.328 -0.025 0.000 1.022 49 H CA 0.349 56.396 56.048 -0.001 0.000 1.477 49 H CB 1.245 30.992 29.762 -0.024 0.000 1.510 49 H HN -0.724 7.445 8.280 0.008 0.117 0.535 50 A N 8.051 130.645 122.820 -0.376 0.000 1.927 50 A HA -0.437 nan 4.320 nan 0.000 0.220 50 A C 1.666 179.236 177.584 -0.024 0.000 1.185 50 A CA 3.421 55.406 52.037 -0.087 0.000 0.639 50 A CB -0.257 18.855 19.000 0.186 0.000 0.820 50 A HN 0.543 8.573 8.150 -0.402 -0.121 0.451 51 R N -3.269 117.196 120.500 -0.057 0.000 2.120 51 R HA -0.351 nan 4.340 nan 0.000 0.234 51 R C 2.214 178.570 176.300 0.093 0.000 1.123 51 R CA 2.966 59.080 56.100 0.024 0.000 0.975 51 R CB -0.838 29.479 30.300 0.028 0.000 0.866 51 R HN 0.076 8.192 8.270 -0.212 0.026 0.446 52 H N -0.403 118.791 119.070 0.206 0.000 2.470 52 H HA -0.048 nan 4.556 nan 0.000 0.289 52 H C 2.804 178.222 175.328 0.150 0.000 1.033 52 H CA 1.829 57.999 56.048 0.204 0.000 1.331 52 H CB -0.407 29.596 29.762 0.401 0.000 1.414 52 H HN 0.213 8.494 8.280 0.057 0.033 0.545 53 L N -0.622 120.740 121.223 0.231 0.000 2.072 53 L HA -0.315 nan 4.340 nan 0.000 0.205 53 L C 1.570 178.527 176.870 0.144 0.000 1.079 53 L CA 2.567 57.510 54.840 0.171 0.000 0.752 53 L CB -0.608 41.517 42.059 0.110 0.000 0.906 53 L HN -0.654 7.690 8.230 0.189 0.000 0.436 54 A N -0.690 122.202 122.820 0.119 0.000 1.865 54 A HA -0.432 nan 4.320 nan 0.000 0.217 54 A C 2.109 179.736 177.584 0.071 0.000 1.191 54 A CA 3.273 55.369 52.037 0.098 0.000 0.623 54 A CB -1.105 17.948 19.000 0.088 0.000 0.826 54 A HN -0.446 7.770 8.150 0.111 0.000 0.444 55 E N -1.671 118.576 120.200 0.080 0.000 2.070 55 E HA -0.434 nan 4.350 nan 0.000 0.197 55 E C 2.476 179.047 176.600 -0.048 0.000 1.004 55 E CA 2.989 59.415 56.400 0.044 0.000 0.805 55 E CB -0.128 29.632 29.700 0.100 0.000 0.744 55 E HN 0.322 8.643 8.360 0.117 0.109 0.451 56 A N -2.033 120.730 122.820 -0.095 0.000 2.019 56 A HA -0.182 nan 4.320 nan 0.000 0.219 56 A C 2.121 179.384 177.584 -0.535 0.000 1.164 56 A CA 2.902 54.723 52.037 -0.360 0.000 0.644 56 A CB -0.694 18.095 19.000 -0.353 0.000 0.805 56 A HN -0.083 7.947 8.150 -0.003 0.119 0.449 57 T N 0.448 114.939 114.554 -0.104 0.000 3.023 57 T HA -0.172 nan 4.350 nan 0.000 0.266 57 T C 1.736 176.476 174.700 0.066 0.000 1.093 57 T CA 3.692 65.872 62.100 0.134 0.000 1.129 57 T CB -0.703 68.316 68.868 0.252 0.000 0.899 57 T HN -0.052 8.030 8.240 -0.001 0.157 0.491 58 E N 2.713 122.916 120.200 0.005 0.000 2.049 58 E HA -0.339 nan 4.350 nan 0.000 0.198 58 E C 1.618 178.209 176.600 -0.016 0.000 1.007 58 E CA 3.311 59.713 56.400 0.004 0.000 0.809 58 E CB -0.572 29.126 29.700 -0.003 0.000 0.749 58 E HN -0.434 7.926 8.360 0.002 0.000 0.450 59 L N -1.256 119.901 121.223 -0.110 0.000 2.093 59 L HA -0.339 nan 4.340 nan 0.000 0.208 59 L C 2.427 179.259 176.870 -0.062 0.000 1.085 59 L CA 3.798 58.562 54.840 -0.126 0.000 0.755 59 L CB -0.247 41.680 42.059 -0.221 0.000 0.904 59 L HN -0.652 7.425 8.230 -0.152 0.062 0.435 60 Y N -2.270 118.099 120.300 0.115 0.000 2.163 60 Y HA -0.387 nan 4.550 nan 0.000 0.288 60 Y C 2.358 178.402 175.900 0.240 0.000 1.136 60 Y CA 3.253 61.470 58.100 0.195 0.000 1.147 60 Y CB -1.455 37.132 38.460 0.212 0.000 0.987 60 Y HN 0.207 8.119 8.280 -0.295 0.191 0.509 61 V N -4.127 115.945 119.914 0.264 0.000 2.427 61 V HA -0.388 nan 4.120 nan 0.000 0.248 61 V C 1.730 177.913 176.094 0.149 0.000 1.051 61 V CA 2.570 64.978 62.300 0.179 0.000 1.048 61 V CB -1.369 30.510 31.823 0.093 0.000 0.666 61 V HN -0.128 8.184 8.190 0.205 0.000 0.456 62 A N 0.840 123.724 122.820 0.107 0.000 1.841 62 A HA -0.282 nan 4.320 nan 0.000 0.216 62 A C 2.142 179.776 177.584 0.083 0.000 1.199 62 A CA 2.986 55.069 52.037 0.077 0.000 0.621 62 A CB -0.601 18.427 19.000 0.046 0.000 0.835 62 A HN -0.056 8.148 8.150 0.090 0.000 0.445 63 L N -1.979 119.280 121.223 0.059 0.000 2.131 63 L HA -0.335 nan 4.340 nan 0.000 0.210 63 L C 2.348 179.173 176.870 -0.075 0.000 1.092 63 L CA 2.600 57.425 54.840 -0.025 0.000 0.759 63 L CB -0.668 41.330 42.059 -0.102 0.000 0.903 63 L HN 0.070 8.229 8.230 0.072 0.113 0.435 64 Y N -3.014 117.327 120.300 0.067 0.000 2.333 64 Y HA -0.294 nan 4.550 nan 0.000 0.290 64 Y C 1.214 177.130 175.900 0.027 0.000 1.144 64 Y CA 2.202 60.322 58.100 0.033 0.000 1.228 64 Y CB -0.236 38.210 38.460 -0.024 0.000 0.985 64 Y HN -0.544 7.858 8.280 0.222 0.011 0.542 65 G N -1.824 107.074 108.800 0.164 0.000 2.530 65 G HA2 0.072 nan 3.960 nan 0.000 0.313 65 G HA3 0.072 nan 3.960 nan 0.000 0.313 65 G C -2.408 172.542 174.900 0.082 0.000 0.971 65 G CA -0.001 45.162 45.100 0.106 0.000 1.237 65 G HN -0.444 7.813 8.290 0.157 0.127 0.446 66 A N 3.624 126.491 122.820 0.079 0.000 2.686 66 A HA 0.606 nan 4.320 nan 0.000 0.263 66 A C -1.054 176.567 177.584 0.062 0.000 1.264 66 A CA -0.484 51.596 52.037 0.073 0.000 0.799 66 A CB 1.869 20.923 19.000 0.090 0.000 1.363 66 A HN -0.396 7.805 8.150 0.084 0.000 0.507 67 K N -1.075 119.361 120.400 0.061 0.000 3.248 67 K HA 0.236 nan 4.320 nan 0.000 0.255 67 K C -0.856 175.783 176.600 0.066 0.000 1.395 67 K CA -0.229 56.092 56.287 0.056 0.000 1.139 67 K CB 1.091 33.620 32.500 0.048 0.000 2.091 67 K HN 0.556 8.847 8.250 0.067 0.000 0.408 68 D N -1.652 118.788 120.400 0.066 0.000 2.727 68 D HA 0.061 nan 4.640 nan 0.000 0.264 68 D C 0.260 176.612 176.300 0.087 0.000 1.101 68 D CA -0.981 53.084 54.000 0.108 0.000 1.122 68 D CB 1.606 42.476 40.800 0.117 0.000 1.390 68 D HN -0.395 8.004 8.370 0.048 0.000 0.606 69 F N -0.708 119.294 119.950 0.087 0.000 2.365 69 F HA -0.184 nan 4.527 nan 0.000 0.300 69 F C 0.920 176.835 175.800 0.191 0.000 1.090 69 F CA 2.290 60.369 58.000 0.132 0.000 1.408 69 F CB 0.523 39.570 39.000 0.078 0.000 1.060 69 F HN 0.212 8.742 8.300 0.384 0.000 0.534 70 N N -0.526 118.112 118.700 -0.104 0.000 2.132 70 N HA -0.241 nan 4.740 nan 0.000 0.187 70 N C 1.527 176.940 175.510 -0.161 0.000 1.038 70 N CA 3.145 56.121 53.050 -0.123 0.000 0.846 70 N CB -0.324 38.174 38.487 0.019 0.000 1.012 70 N HN -0.699 8.068 8.380 0.065 -0.347 0.429 71 D N 0.822 121.179 120.400 -0.070 0.000 2.178 71 D HA -0.260 nan 4.640 nan 0.000 0.201 71 D C 1.884 178.139 176.300 -0.075 0.000 0.980 71 D CA 3.035 57.020 54.000 -0.026 0.000 0.842 71 D CB 0.107 40.918 40.800 0.018 0.000 0.948 71 D HN -0.484 8.167 8.370 -0.031 -0.300 0.472 72 F N 0.820 120.582 119.950 -0.313 0.000 2.091 72 F HA -0.387 nan 4.527 nan 0.000 0.299 72 F C 1.341 176.899 175.800 -0.403 0.000 1.103 72 F CA 3.352 61.117 58.000 -0.392 0.000 1.228 72 F CB 0.093 38.728 39.000 -0.609 0.000 0.984 72 F HN -0.323 7.947 8.300 -0.050 0.000 0.477 73 I N -2.135 117.997 120.570 -0.730 0.000 2.252 73 I HA -0.528 nan 4.170 nan 0.000 0.245 73 I C 1.967 177.875 176.117 -0.349 0.000 1.102 73 I CA 2.257 63.172 61.300 -0.640 0.000 1.385 73 I CB -1.569 36.132 38.000 -0.499 0.000 1.064 73 I HN -0.442 7.299 8.210 -0.619 0.097 0.414 74 H N 1.292 120.203 119.070 -0.266 0.000 2.321 74 H HA -0.295 nan 4.556 nan 0.000 0.300 74 H C 2.306 177.547 175.328 -0.146 0.000 1.087 74 H CA 3.517 59.468 56.048 -0.162 0.000 1.319 74 H CB 0.054 29.751 29.762 -0.108 0.000 1.379 74 H HN -0.493 7.705 8.280 -0.137 0.000 0.501 75 L N -1.152 119.824 121.223 -0.412 0.000 2.043 75 L HA -0.391 nan 4.340 nan 0.000 0.212 75 L C 1.577 178.293 176.870 -0.258 0.000 1.075 75 L CA 3.626 58.267 54.840 -0.331 0.000 0.752 75 L CB -0.515 41.444 42.059 -0.166 0.000 0.891 75 L HN -0.121 7.956 8.230 -0.254 0.000 0.432 76 C N -1.763 117.371 119.300 -0.277 0.000 2.432 76 C HA -0.371 nan 4.460 nan 0.000 0.280 76 C C 2.280 177.190 174.990 -0.135 0.000 1.353 76 C CA 3.067 62.024 59.018 -0.102 0.000 1.766 76 C CB -2.220 25.336 27.740 -0.308 0.000 1.924 76 C HN -0.259 7.637 8.230 -0.418 0.084 0.509 77 E N 0.518 120.593 120.200 -0.210 0.000 2.031 77 E HA -0.459 nan 4.350 nan 0.000 0.193 77 E C 1.953 178.426 176.600 -0.211 0.000 0.994 77 E CA 3.357 59.663 56.400 -0.158 0.000 0.800 77 E CB -0.315 29.343 29.700 -0.071 0.000 0.752 77 E HN 0.147 8.252 8.360 -0.264 0.097 0.447 78 Q N -0.677 118.936 119.800 -0.312 0.000 1.969 78 Q HA -0.227 nan 4.340 nan 0.000 0.198 78 Q C 2.639 178.483 176.000 -0.259 0.000 0.978 78 Q CA 2.764 58.406 55.803 -0.268 0.000 0.830 78 Q CB 0.220 28.748 28.738 -0.349 0.000 0.896 78 Q HN -0.252 7.753 8.270 -0.442 0.000 0.431 79 A N -0.952 121.702 122.820 -0.277 0.000 1.978 79 A HA -0.301 nan 4.320 nan 0.000 0.220 79 A C 1.877 179.142 177.584 -0.532 0.000 1.170 79 A CA 3.123 54.978 52.037 -0.304 0.000 0.636 79 A CB -0.987 17.910 19.000 -0.172 0.000 0.810 79 A HN 0.117 8.116 8.150 -0.252 0.000 0.448 80 R N -1.998 118.060 120.500 -0.737 0.000 2.127 80 R HA -0.346 nan 4.340 nan 0.000 0.238 80 R C 2.467 178.529 176.300 -0.396 0.000 1.134 80 R CA 2.861 58.509 56.100 -0.754 0.000 0.975 80 R CB -0.397 29.566 30.300 -0.562 0.000 0.865 80 R HN 0.090 7.960 8.270 -0.610 0.035 0.447 81 Q N -2.286 117.345 119.800 -0.281 0.000 2.449 81 Q HA -0.273 nan 4.340 nan 0.000 0.214 81 Q C 1.197 177.102 176.000 -0.157 0.000 0.986 81 Q CA 2.713 58.407 55.803 -0.181 0.000 0.893 81 Q CB -0.042 28.615 28.738 -0.135 0.000 0.940 81 Q HN 0.026 7.988 8.270 -0.286 0.136 0.477 82 I N -6.511 113.948 120.570 -0.184 0.000 4.665 82 I HA 0.070 nan 4.170 nan 0.000 0.360 82 I C -2.297 173.735 176.117 -0.143 0.000 1.259 82 I CA -0.635 60.582 61.300 -0.138 0.000 1.301 82 I CB 2.145 40.079 38.000 -0.110 0.000 1.746 82 I HN -0.704 7.282 8.210 -0.246 0.076 0.598 83 V N -5.053 114.745 119.914 -0.193 0.000 3.096 83 V HA 0.409 nan 4.120 nan 0.000 0.319 83 V C -1.751 174.270 176.094 -0.123 0.000 1.103 83 V CA -3.774 58.430 62.300 -0.160 0.000 1.016 83 V CB 2.222 33.937 31.823 -0.179 0.000 1.090 83 V HN -0.912 7.130 8.190 -0.247 0.000 0.449 84 N N -0.449 118.192 118.700 -0.099 0.000 2.400 84 N HA -0.106 nan 4.740 nan 0.000 0.267 84 N C 1.272 176.772 175.510 -0.016 0.000 1.208 84 N CA 0.154 53.154 53.050 -0.083 0.000 0.951 84 N CB -0.124 38.274 38.487 -0.149 0.000 1.227 84 N HN 0.145 8.461 8.380 -0.107 0.000 0.488 85 E N 6.604 126.819 120.200 0.025 0.000 2.164 85 E HA -0.438 nan 4.350 nan 0.000 0.206 85 E C 1.692 178.413 176.600 0.202 0.000 1.032 85 E CA 3.086 59.562 56.400 0.127 0.000 0.832 85 E CB -1.323 28.451 29.700 0.124 0.000 0.742 85 E HN 0.206 8.562 8.360 -0.008 0.000 0.460 86 G N -1.485 107.386 108.800 0.117 0.000 2.418 86 G HA2 -0.260 nan 3.960 nan 0.000 0.217 86 G HA3 -0.260 nan 3.960 nan 0.000 0.217 86 G C 1.519 176.521 174.900 0.170 0.000 1.158 86 G CA 1.630 46.817 45.100 0.145 0.000 0.771 86 G HN 0.364 8.668 8.290 0.054 0.018 0.545 87 M N 2.134 121.716 119.600 -0.030 0.000 2.156 87 M HA -0.281 nan 4.480 nan 0.000 0.264 87 M C 1.006 177.393 176.300 0.145 0.000 1.067 87 M CA 3.157 58.410 55.300 -0.077 0.000 1.131 87 M CB 0.091 32.502 32.600 -0.316 0.000 1.368 87 M HN -0.556 7.782 8.290 -0.105 -0.111 0.416 88 F N -0.031 119.935 119.950 0.026 0.000 2.069 88 F HA -0.431 nan 4.527 nan 0.000 0.298 88 F C 1.436 177.345 175.800 0.183 0.000 1.113 88 F CA 4.399 62.438 58.000 0.064 0.000 1.214 88 F CB -0.076 38.928 39.000 0.006 0.000 0.978 88 F HN -0.330 8.116 8.300 0.243 0.000 0.474 89 V N -0.493 119.616 119.914 0.326 0.000 2.392 89 V HA -0.485 nan 4.120 nan 0.000 0.249 89 V C 1.024 177.368 176.094 0.416 0.000 1.059 89 V CA 4.184 66.730 62.300 0.409 0.000 1.051 89 V CB -0.905 31.272 31.823 0.590 0.000 0.658 89 V HN 0.545 8.977 8.190 0.403 0.000 0.455 90 Y N 0.540 121.022 120.300 0.303 0.000 2.224 90 Y HA -0.477 nan 4.550 nan 0.000 0.289 90 Y C 1.241 177.265 175.900 0.208 0.000 1.146 90 Y CA 4.098 62.370 58.100 0.287 0.000 1.182 90 Y CB -0.358 38.248 38.460 0.243 0.000 0.983 90 Y HN -0.484 8.040 8.280 0.526 0.073 0.524 91 A N -1.166 121.783 122.820 0.215 0.000 1.874 91 A HA -0.287 nan 4.320 nan 0.000 0.214 91 A C 1.781 179.327 177.584 -0.062 0.000 1.189 91 A CA 3.091 55.174 52.037 0.077 0.000 0.615 91 A CB -0.479 18.474 19.000 -0.078 0.000 0.830 91 A HN 0.226 8.424 8.150 0.213 0.081 0.443 92 V N -4.353 115.467 119.914 -0.157 0.000 2.515 92 V HA -0.416 nan 4.120 nan 0.000 0.250 92 V C 1.843 177.985 176.094 0.079 0.000 1.058 92 V CA 3.670 65.936 62.300 -0.056 0.000 1.064 92 V CB -1.258 30.512 31.823 -0.087 0.000 0.675 92 V HN 0.402 8.434 8.190 -0.264 0.000 0.461 93 S N 0.014 115.776 115.700 0.102 0.000 2.414 93 S HA -0.249 nan 4.470 nan 0.000 0.227 93 S C 1.985 176.585 174.600 -0.000 0.000 1.022 93 S CA 3.349 61.597 58.200 0.080 0.000 0.958 93 S CB 0.133 63.437 63.200 0.173 0.000 0.797 93 S HN -0.028 8.257 8.310 0.138 0.108 0.493 94 V N 1.903 121.812 119.914 -0.009 0.000 2.515 94 V HA -0.365 nan 4.120 nan 0.000 0.250 94 V C 1.524 177.721 176.094 0.172 0.000 1.058 94 V CA 3.304 65.671 62.300 0.110 0.000 1.064 94 V CB -0.994 30.908 31.823 0.133 0.000 0.675 94 V HN -0.195 7.972 8.190 -0.038 0.000 0.461 95 A N 0.135 122.930 122.820 -0.041 0.000 1.855 95 A HA -0.194 nan 4.320 nan 0.000 0.215 95 A C 1.253 178.821 177.584 -0.028 0.000 1.191 95 A CA 3.841 55.814 52.037 -0.107 0.000 0.613 95 A CB -0.185 18.740 19.000 -0.125 0.000 0.829 95 A HN 0.233 8.342 8.150 -0.069 0.000 0.442 96 V N -2.605 117.312 119.914 0.005 0.000 3.620 96 V HA -0.003 nan 4.120 nan 0.000 0.286 96 V C 0.896 176.946 176.094 -0.074 0.000 1.288 96 V CA 1.184 63.490 62.300 0.010 0.000 1.178 96 V CB -1.168 30.770 31.823 0.192 0.000 0.986 96 V HN 0.008 8.113 8.190 0.041 0.109 0.431 97 L N -0.842 120.271 121.223 -0.183 0.000 2.253 97 L HA -0.127 nan 4.340 nan 0.000 0.205 97 L C 0.374 177.014 176.870 -0.382 0.000 1.078 97 L CA 2.322 56.914 54.840 -0.414 0.000 0.805 97 L CB 0.878 42.454 42.059 -0.805 0.000 0.963 97 L HN -0.744 7.353 8.230 -0.145 0.046 0.459 98 H N -7.403 111.711 119.070 0.073 0.000 3.233 98 H HA 0.221 nan 4.556 nan 0.000 0.263 98 H C -0.740 174.702 175.328 0.190 0.000 1.168 98 H CA -0.605 55.535 56.048 0.153 0.000 1.159 98 H CB 1.589 31.561 29.762 0.349 0.000 1.593 98 H HN -0.161 7.997 8.280 0.017 0.132 0.580 99 R N -0.286 120.334 120.500 0.199 0.000 2.480 99 R HA 0.289 nan 4.340 nan 0.000 0.306 99 R C -0.122 176.210 176.300 0.053 0.000 0.958 99 R CA -1.891 54.295 56.100 0.144 0.000 0.861 99 R CB 0.801 31.193 30.300 0.152 0.000 1.171 99 R HN -0.528 7.803 8.270 0.102 0.000 0.445 100 E N 4.170 124.408 120.200 0.063 0.000 2.304 100 E HA -0.014 nan 4.350 nan 0.000 0.212 100 E C -0.666 175.943 176.600 0.015 0.000 1.185 100 E CA -0.499 55.925 56.400 0.041 0.000 1.326 100 E CB -0.701 29.029 29.700 0.049 0.000 1.283 100 E HN 0.577 8.979 8.360 0.069 0.000 0.440 101 D N -2.936 117.480 120.400 0.026 0.000 2.593 101 D HA 0.139 nan 4.640 nan 0.000 0.241 101 D C -0.020 176.214 176.300 -0.109 0.000 1.257 101 D CA -0.162 53.856 54.000 0.031 0.000 0.828 101 D CB -0.102 40.822 40.800 0.206 0.000 1.049 101 D HN -0.120 8.169 8.370 0.033 0.101 0.490 102 C N -1.417 117.800 119.300 -0.139 0.000 3.489 102 C HA 0.092 nan 4.460 nan 0.000 0.264 102 C C -1.109 173.753 174.990 -0.212 0.000 2.026 102 C CA -0.820 58.064 59.018 -0.222 0.000 1.705 102 C CB 0.885 28.566 27.740 -0.098 0.000 3.389 102 C HN -0.181 7.919 8.230 -0.089 0.077 0.459 103 K N 1.660 121.947 120.400 -0.189 0.000 2.451 103 K HA -0.230 nan 4.320 nan 0.000 0.280 103 K C 0.782 177.248 176.600 -0.223 0.000 1.020 103 K CA 1.700 57.877 56.287 -0.184 0.000 1.008 103 K CB -0.256 32.152 32.500 -0.152 0.000 0.917 103 K HN -0.273 7.870 8.250 -0.179 0.000 0.478 104 G N 4.308 112.965 108.800 -0.238 0.000 2.143 104 G HA2 -0.430 nan 3.960 nan 0.000 0.249 104 G HA3 -0.430 nan 3.960 nan 0.000 0.249 104 G C -1.003 173.758 174.900 -0.231 0.000 0.981 104 G CA -0.113 44.832 45.100 -0.257 0.000 0.665 104 G HN 0.274 8.423 8.290 -0.239 -0.001 0.528 105 I N 0.709 121.151 120.570 -0.214 0.000 2.532 105 I HA 0.024 nan 4.170 nan 0.000 0.292 105 I C -1.006 175.030 176.117 -0.135 0.000 1.014 105 I CA -0.821 60.374 61.300 -0.174 0.000 1.340 105 I CB 0.874 38.789 38.000 -0.142 0.000 1.422 105 I HN -0.495 7.540 8.210 -0.209 0.049 0.528 106 T N 8.015 122.495 114.554 -0.123 0.000 2.856 106 T HA 0.147 nan 4.350 nan 0.000 0.283 106 T C -0.951 173.663 174.700 -0.144 0.000 1.008 106 T CA -1.341 60.699 62.100 -0.101 0.000 0.997 106 T CB 2.094 70.914 68.868 -0.081 0.000 0.992 106 T HN -0.285 8.137 8.240 -0.135 -0.263 0.454 107 V N 4.449 124.286 119.914 -0.129 0.000 2.508 107 V HA 0.128 nan 4.120 nan 0.000 0.281 107 V C -1.372 174.605 176.094 -0.196 0.000 1.041 107 V CA -2.828 59.382 62.300 -0.151 0.000 1.016 107 V CB -0.380 31.396 31.823 -0.079 0.000 0.984 107 V HN 0.402 8.531 8.190 -0.101 0.000 0.478 108 P HA 0.061 nan 4.420 nan 0.000 0.260 108 P C -2.664 174.646 177.300 0.017 0.000 1.185 108 P CA -0.896 62.044 63.100 -0.266 0.000 0.763 108 P CB -0.029 31.370 31.700 -0.502 0.000 0.776 109 P HA -0.006 nan 4.420 nan 0.000 0.261 109 P C 0.994 178.362 177.300 0.114 0.000 1.203 109 P CA -0.129 63.039 63.100 0.115 0.000 0.767 109 P CB 0.396 32.142 31.700 0.076 0.000 0.785 110 I N -0.094 120.548 120.570 0.120 0.000 2.423 110 I HA -0.522 nan 4.170 nan 0.000 0.254 110 I C 0.970 177.087 176.117 0.000 0.000 1.151 110 I CA 3.436 64.783 61.300 0.078 0.000 1.421 110 I CB -0.231 37.706 38.000 -0.103 0.000 1.079 110 I HN 0.217 8.549 8.210 0.204 0.000 0.431 111 Q N -1.174 118.451 119.800 -0.291 0.000 2.172 111 Q HA -0.269 nan 4.340 nan 0.000 0.200 111 Q C 1.200 177.001 176.000 -0.332 0.000 0.964 111 Q CA 3.047 58.364 55.803 -0.810 0.000 0.855 111 Q CB -0.628 27.544 28.738 -0.942 0.000 0.918 111 Q HN 0.200 8.298 8.270 -0.187 0.060 0.444 112 E N -2.658 117.449 120.200 -0.155 0.000 2.216 112 E HA -0.038 nan 4.350 nan 0.000 0.192 112 E C 1.454 178.023 176.600 -0.053 0.000 0.973 112 E CA 1.515 57.864 56.400 -0.086 0.000 0.851 112 E CB 1.350 30.989 29.700 -0.102 0.000 0.804 112 E HN -0.425 7.734 8.360 -0.119 0.130 0.477 113 V N -5.487 114.417 119.914 -0.015 0.000 2.788 113 V HA -0.076 nan 4.120 nan 0.000 0.251 113 V C 0.027 175.890 176.094 -0.386 0.000 1.068 113 V CA 1.955 64.170 62.300 -0.143 0.000 1.090 113 V CB 0.335 32.162 31.823 0.007 0.000 0.710 113 V HN -0.095 8.019 8.190 0.052 0.107 0.467 114 F N -1.472 118.535 119.950 0.096 0.000 2.660 114 F HA 0.586 nan 4.527 nan 0.000 0.352 114 F C -1.541 174.371 175.800 0.187 0.000 1.257 114 F CA -3.473 54.604 58.000 0.128 0.000 1.200 114 F CB 1.194 40.267 39.000 0.122 0.000 1.473 114 F HN -0.400 7.882 8.300 0.160 0.114 0.561 115 P HA -0.142 nan 4.420 nan 0.000 0.226 115 P C 0.629 178.127 177.300 0.330 0.000 1.153 115 P CA 1.972 65.215 63.100 0.237 0.000 0.777 115 P CB 0.029 31.800 31.700 0.119 0.000 0.794 116 D N -1.469 119.117 120.400 0.309 0.000 2.123 116 D HA -0.336 nan 4.640 nan 0.000 0.196 116 D C 0.359 176.790 176.300 0.219 0.000 0.992 116 D CA 2.641 56.794 54.000 0.255 0.000 0.833 116 D CB -1.760 39.201 40.800 0.269 0.000 0.954 116 D HN 0.425 8.936 8.370 0.344 0.065 0.455 117 R N -3.501 117.124 120.500 0.209 0.000 2.339 117 R HA -0.129 nan 4.340 nan 0.000 0.199 117 R C 0.491 176.615 176.300 -0.294 0.000 1.018 117 R CA 1.249 57.308 56.100 -0.069 0.000 1.036 117 R CB -0.543 29.663 30.300 -0.156 0.000 0.899 117 R HN -0.306 8.147 8.270 0.306 0.000 0.473 118 F N -2.816 117.128 119.950 -0.010 0.000 2.592 118 F HA 0.089 nan 4.527 nan 0.000 0.280 118 F C -0.537 175.245 175.800 -0.029 0.000 1.083 118 F CA 2.440 60.412 58.000 -0.046 0.000 1.365 118 F CB 2.273 41.235 39.000 -0.064 0.000 1.100 118 F HN -0.357 7.944 8.300 0.332 0.198 0.633 119 V N -6.156 113.873 119.914 0.192 0.000 3.096 119 V HA 0.532 nan 4.120 nan 0.000 0.319 119 V C -2.505 173.663 176.094 0.123 0.000 1.103 119 V CA -4.054 58.329 62.300 0.139 0.000 1.016 119 V CB -0.184 31.722 31.823 0.139 0.000 1.090 119 V HN -0.557 7.766 8.190 0.222 0.000 0.449 120 P HA -0.037 nan 4.420 nan 0.000 0.267 120 P C -0.545 176.822 177.300 0.111 0.000 1.209 120 P CA 0.029 63.195 63.100 0.110 0.000 0.763 120 P CB -0.116 31.630 31.700 0.077 0.000 0.816 121 A N 6.815 129.708 122.820 0.121 0.000 1.954 121 A HA -0.476 nan 4.320 nan 0.000 0.222 121 A C 1.870 179.508 177.584 0.090 0.000 1.199 121 A CA 3.571 55.673 52.037 0.109 0.000 0.657 121 A CB -0.545 18.519 19.000 0.107 0.000 0.823 121 A HN 0.861 8.986 8.150 0.136 0.106 0.463 122 E N -3.152 117.098 120.200 0.083 0.000 2.038 122 E HA -0.360 nan 4.350 nan 0.000 0.195 122 E C 2.143 178.784 176.600 0.069 0.000 1.000 122 E CA 3.313 59.754 56.400 0.067 0.000 0.803 122 E CB -0.328 29.405 29.700 0.055 0.000 0.750 122 E HN 0.248 8.655 8.360 0.092 0.009 0.448 123 T N 0.922 115.522 114.554 0.077 0.000 3.085 123 T HA -0.044 nan 4.350 nan 0.000 0.263 123 T C 2.431 177.182 174.700 0.085 0.000 1.127 123 T CA 2.657 64.805 62.100 0.081 0.000 1.103 123 T CB -0.751 68.171 68.868 0.091 0.000 0.921 123 T HN -0.415 7.782 8.240 0.082 0.091 0.510 124 I N 2.603 123.227 120.570 0.090 0.000 2.193 124 I HA -0.509 nan 4.170 nan 0.000 0.240 124 I C 0.888 177.052 176.117 0.078 0.000 1.084 124 I CA 4.115 65.470 61.300 0.091 0.000 1.365 124 I CB -0.278 37.783 38.000 0.102 0.000 1.064 124 I HN -0.254 7.980 8.210 0.093 0.032 0.410 125 N N -0.436 118.307 118.700 0.072 0.000 2.223 125 N HA -0.332 nan 4.740 nan 0.000 0.185 125 N C 2.475 178.019 175.510 0.056 0.000 1.016 125 N CA 3.687 56.772 53.050 0.060 0.000 0.863 125 N CB 0.233 38.753 38.487 0.055 0.000 0.983 125 N HN -0.267 8.158 8.380 0.075 0.000 0.429 126 R N -0.767 119.769 120.500 0.060 0.000 2.062 126 R HA -0.281 nan 4.340 nan 0.000 0.231 126 R C 1.703 178.041 176.300 0.063 0.000 1.136 126 R CA 3.355 59.490 56.100 0.058 0.000 0.948 126 R CB -0.200 30.135 30.300 0.058 0.000 0.845 126 R HN 0.373 8.581 8.270 0.063 0.100 0.430 127 A N -1.033 121.828 122.820 0.067 0.000 1.865 127 A HA -0.347 nan 4.320 nan 0.000 0.217 127 A C 2.213 179.842 177.584 0.074 0.000 1.191 127 A CA 3.140 55.219 52.037 0.071 0.000 0.623 127 A CB -0.946 18.098 19.000 0.074 0.000 0.826 127 A HN -0.564 7.628 8.150 0.069 0.000 0.444 128 N N -1.913 116.829 118.700 0.070 0.000 2.021 128 N HA -0.396 nan 4.740 nan 0.000 0.198 128 N C 2.222 177.764 175.510 0.055 0.000 1.041 128 N CA 3.061 56.148 53.050 0.061 0.000 0.862 128 N CB -0.568 37.951 38.487 0.052 0.000 1.048 128 N HN -0.226 8.196 8.380 0.071 0.000 0.427 129 K N 0.117 120.547 120.400 0.050 0.000 2.209 129 K HA -0.310 nan 4.320 nan 0.000 0.204 129 K C 2.510 179.142 176.600 0.054 0.000 1.048 129 K CA 2.965 59.277 56.287 0.042 0.000 0.940 129 K CB 0.019 32.541 32.500 0.036 0.000 0.729 129 K HN 0.141 8.235 8.250 0.053 0.187 0.451 130 E N -0.800 119.447 120.200 0.079 0.000 2.152 130 E HA -0.288 nan 4.350 nan 0.000 0.192 130 E C 2.066 178.749 176.600 0.137 0.000 0.983 130 E CA 2.747 59.223 56.400 0.127 0.000 0.818 130 E CB -0.151 29.627 29.700 0.129 0.000 0.758 130 E HN 0.148 8.431 8.360 0.075 0.122 0.467 131 A N -0.680 122.200 122.820 0.100 0.000 1.933 131 A HA -0.178 nan 4.320 nan 0.000 0.218 131 A C 1.536 179.160 177.584 0.066 0.000 1.175 131 A CA 3.109 55.202 52.037 0.094 0.000 0.628 131 A CB -0.627 18.428 19.000 0.091 0.000 0.814 131 A HN -0.269 7.935 8.150 0.089 0.000 0.444 132 S N -2.425 113.300 115.700 0.043 0.000 2.453 132 S HA -0.145 nan 4.470 nan 0.000 0.231 132 S C 1.274 175.865 174.600 -0.015 0.000 1.005 132 S CA 2.192 60.401 58.200 0.014 0.000 0.949 132 S CB 0.399 63.603 63.200 0.006 0.000 0.774 132 S HN -0.335 8.003 8.310 0.046 0.000 0.510 133 N N 0.104 118.791 118.700 -0.022 0.000 2.333 133 N HA -0.097 nan 4.740 nan 0.000 0.178 133 N C -0.138 175.158 175.510 -0.357 0.000 1.018 133 N CA 1.374 54.325 53.050 -0.164 0.000 0.882 133 N CB 1.084 39.477 38.487 -0.158 0.000 0.984 133 N HN -0.332 7.825 8.380 0.031 0.241 0.434 134 H N -1.348 117.731 119.070 0.016 0.000 2.854 134 H HA 0.368 nan 4.556 nan 0.000 0.275 134 H C -2.334 173.005 175.328 0.018 0.000 1.198 134 H CA -2.661 53.395 56.048 0.015 0.000 1.489 134 H CB 0.452 30.223 29.762 0.014 0.000 1.519 134 H HN -0.142 8.217 8.280 0.131 0.000 0.503 135 P HA -0.058 nan 4.420 nan 0.000 0.259 135 P C -1.518 175.823 177.300 0.068 0.000 1.635 135 P CA 0.466 63.605 63.100 0.066 0.000 1.199 135 P CB -0.521 31.201 31.700 0.036 0.000 1.850 136 D N 1.829 122.276 120.400 0.078 0.000 2.579 136 D HA 0.132 nan 4.640 nan 0.000 0.257 136 D C -0.689 175.638 176.300 0.045 0.000 1.176 136 D CA -1.194 52.840 54.000 0.056 0.000 0.914 136 D CB 2.622 43.455 40.800 0.056 0.000 1.431 136 D HN -0.520 7.884 8.370 0.091 0.021 0.454 137 Q N -1.130 118.685 119.800 0.025 0.000 2.451 137 Q HA -0.090 nan 4.340 nan 0.000 0.206 137 Q C 0.046 176.037 176.000 -0.015 0.000 0.947 137 Q CA 0.304 56.111 55.803 0.008 0.000 0.937 137 Q CB 0.415 29.154 28.738 0.002 0.000 1.025 137 Q HN 0.322 8.605 8.270 0.022 0.000 0.511 138 Q N 0.788 120.580 119.800 -0.013 0.000 2.286 138 Q HA -0.186 nan 4.340 nan 0.000 0.290 138 Q C -0.862 175.119 176.000 -0.032 0.000 1.049 138 Q CA 0.740 56.525 55.803 -0.030 0.000 0.923 138 Q CB 0.429 29.140 28.738 -0.044 0.000 1.183 138 Q HN -0.667 7.821 8.270 -0.003 -0.220 0.383 139 S N 3.704 119.378 115.700 -0.043 0.000 2.576 139 S HA 0.205 nan 4.470 nan 0.000 0.272 139 S C -0.915 173.668 174.600 -0.028 0.000 1.352 139 S CA 0.856 59.031 58.200 -0.041 0.000 1.021 139 S CB 0.468 63.641 63.200 -0.045 0.000 0.887 139 S HN 0.222 8.506 8.310 -0.045 0.000 0.542 140 I N 0.590 121.153 120.570 -0.012 0.000 2.545 140 I HA 0.281 nan 4.170 nan 0.000 0.292 140 I C -2.151 173.969 176.117 0.004 0.000 1.040 140 I CA -0.602 60.698 61.300 0.000 0.000 1.068 140 I CB 3.292 41.309 38.000 0.027 0.000 1.251 140 I HN 0.560 8.764 8.210 -0.010 0.000 0.424 141 V N 6.450 126.365 119.914 0.002 0.000 2.577 141 V HA 0.601 nan 4.120 nan 0.000 0.303 141 V C -1.827 174.276 176.094 0.015 0.000 1.042 141 V CA -1.686 60.616 62.300 0.004 0.000 0.872 141 V CB 2.083 33.898 31.823 -0.015 0.000 0.998 141 V HN 0.151 8.340 8.190 -0.001 0.000 0.423 142 V N 7.848 127.779 119.914 0.029 0.000 2.604 142 V HA 0.409 nan 4.120 nan 0.000 0.305 142 V C -1.739 174.383 176.094 0.047 0.000 1.043 142 V CA -1.626 60.699 62.300 0.043 0.000 0.888 142 V CB 3.392 35.249 31.823 0.057 0.000 0.995 142 V HN 0.780 8.989 8.190 0.031 0.000 0.429 143 E N 5.704 125.937 120.200 0.056 0.000 2.105 143 E HA 0.149 nan 4.350 nan 0.000 0.285 143 E C 0.352 177.019 176.600 0.111 0.000 1.055 143 E CA -0.883 55.565 56.400 0.079 0.000 0.843 143 E CB 0.630 30.391 29.700 0.102 0.000 1.067 143 E HN 0.456 8.848 8.360 0.053 0.000 0.398 144 A N 8.282 131.181 122.820 0.131 0.000 2.019 144 A HA -0.205 nan 4.320 nan 0.000 0.219 144 A C 0.944 178.628 177.584 0.167 0.000 1.164 144 A CA 2.588 54.717 52.037 0.153 0.000 0.644 144 A CB -0.518 18.601 19.000 0.199 0.000 0.805 144 A HN 0.885 8.995 8.150 0.109 0.106 0.449 145 E N -1.858 118.474 120.200 0.221 0.000 2.164 145 E HA -0.285 nan 4.350 nan 0.000 0.206 145 E C 0.203 176.878 176.600 0.126 0.000 1.032 145 E CA 1.676 58.199 56.400 0.204 0.000 0.832 145 E CB 0.210 30.015 29.700 0.174 0.000 0.742 145 E HN 0.118 8.587 8.360 0.260 0.046 0.460 146 E N -4.300 115.948 120.200 0.081 0.000 8.880 146 E HA -0.302 nan 4.350 nan 0.000 0.183 146 E C -1.642 174.968 176.600 0.016 0.000 1.450 146 E CA 0.497 56.915 56.400 0.030 0.000 2.521 146 E CB 0.241 29.932 29.700 -0.015 0.000 1.229 146 E HN 0.043 8.422 8.360 0.091 0.035 0.443 147 T N 1.254 115.799 114.554 -0.015 0.000 3.032 147 T HA 0.255 nan 4.350 nan 0.000 0.312 147 T C -1.546 173.123 174.700 -0.052 0.000 1.078 147 T CA -0.353 61.734 62.100 -0.020 0.000 1.028 147 T CB 1.492 70.357 68.868 -0.005 0.000 1.091 147 T HN -0.174 8.049 8.240 -0.028 0.000 0.457 148 G N 1.554 110.311 108.800 -0.073 0.000 2.523 148 G HA2 0.027 nan 3.960 nan 0.000 0.291 148 G HA3 0.027 nan 3.960 nan 0.000 0.291 148 G C -2.260 172.585 174.900 -0.091 0.000 1.450 148 G CA -0.059 44.985 45.100 -0.094 0.000 0.790 148 G HN -0.246 8.007 8.290 -0.061 0.000 0.496 149 N N 0.052 118.708 118.700 -0.074 0.000 2.402 149 N HA 0.110 nan 4.740 nan 0.000 0.252 149 N C 0.098 175.563 175.510 -0.074 0.000 1.118 149 N CA -0.549 52.470 53.050 -0.051 0.000 0.945 149 N CB 0.262 38.733 38.487 -0.027 0.000 1.147 149 N HN 0.055 8.394 8.380 -0.068 0.000 0.495 150 I N 6.823 127.357 120.570 -0.060 0.000 2.268 150 I HA -0.087 nan 4.170 nan 0.000 0.298 150 I C 0.068 176.192 176.117 0.012 0.000 1.185 150 I CA 0.254 61.522 61.300 -0.052 0.000 1.548 150 I CB -1.344 36.673 38.000 0.029 0.000 1.492 150 I HN 0.422 8.612 8.210 -0.034 0.000 0.711 151 L N 5.721 126.947 121.223 0.006 0.000 2.005 151 L HA -0.201 nan 4.340 nan 0.000 0.207 151 L C 0.786 177.691 176.870 0.058 0.000 1.072 151 L CA 1.653 56.511 54.840 0.030 0.000 0.744 151 L CB -0.392 41.683 42.059 0.027 0.000 0.895 151 L HN -0.076 8.090 8.230 -0.020 0.052 0.433 152 D N -1.150 119.294 120.400 0.074 0.000 2.425 152 D HA 0.077 nan 4.640 nan 0.000 0.247 152 D C -0.733 175.655 176.300 0.147 0.000 1.147 152 D CA -1.462 52.606 54.000 0.115 0.000 0.879 152 D CB 0.997 41.883 40.800 0.144 0.000 1.179 152 D HN -0.258 8.143 8.370 0.051 0.000 0.456 153 P HA -0.147 nan 4.420 nan 0.000 0.216 153 P C 1.009 178.385 177.300 0.126 0.000 1.153 153 P CA 1.716 64.883 63.100 0.112 0.000 0.844 153 P CB 0.482 32.226 31.700 0.073 0.000 0.787 154 E N -1.731 118.549 120.200 0.134 0.000 2.219 154 E HA -0.325 nan 4.350 nan 0.000 0.198 154 E C 2.070 178.757 176.600 0.145 0.000 0.998 154 E CA 2.386 58.860 56.400 0.124 0.000 0.818 154 E CB -0.600 29.188 29.700 0.146 0.000 0.741 154 E HN -0.526 8.236 8.360 0.146 -0.314 0.477 155 Y N 0.443 120.805 120.300 0.102 0.000 2.283 155 Y HA -0.415 nan 4.550 nan 0.000 0.285 155 Y C 1.891 177.839 175.900 0.081 0.000 1.176 155 Y CA 2.614 60.779 58.100 0.108 0.000 1.229 155 Y CB -0.170 38.351 38.460 0.102 0.000 0.975 155 Y HN -0.342 8.346 8.280 0.331 -0.210 0.537 156 K N -1.101 119.240 120.400 -0.099 0.000 2.015 156 K HA -0.422 nan 4.320 nan 0.000 0.216 156 K C 2.007 178.507 176.600 -0.166 0.000 1.052 156 K CA 3.009 59.232 56.287 -0.107 0.000 0.937 156 K CB -0.551 31.960 32.500 0.019 0.000 0.719 156 K HN -0.162 8.104 8.250 0.068 0.025 0.446 157 L N -3.199 117.879 121.223 -0.241 0.000 2.633 157 L HA -0.114 nan 4.340 nan 0.000 0.235 157 L C 1.056 177.619 176.870 -0.511 0.000 1.163 157 L CA 1.187 55.687 54.840 -0.566 0.000 0.859 157 L CB -0.961 40.933 42.059 -0.274 0.000 0.973 157 L HN -0.142 7.917 8.230 -0.122 0.098 0.451 158 S N 0.225 115.747 115.700 -0.297 0.000 2.603 158 S HA -0.204 nan 4.470 nan 0.000 0.229 158 S C 1.313 175.866 174.600 -0.079 0.000 0.972 158 S CA 2.507 60.622 58.200 -0.142 0.000 0.935 158 S CB -0.304 62.836 63.200 -0.101 0.000 0.769 158 S HN -0.569 7.376 8.310 -0.277 0.199 0.536 159 Y N -0.824 119.493 120.300 0.028 0.000 2.181 159 Y HA -0.280 nan 4.550 nan 0.000 0.288 159 Y C 0.278 176.303 175.900 0.207 0.000 1.146 159 Y CA 1.766 59.933 58.100 0.112 0.000 1.164 159 Y CB -0.936 37.568 38.460 0.073 0.000 0.982 159 Y HN -0.476 7.630 8.280 -0.245 0.027 0.515 160 F N 0.269 120.111 119.950 -0.180 0.000 2.222 160 F HA 0.057 nan 4.527 nan 0.000 0.285 160 F C 1.777 177.562 175.800 -0.024 0.000 1.068 160 F CA 1.122 59.119 58.000 -0.006 0.000 1.265 160 F CB 1.710 40.664 39.000 -0.076 0.000 1.087 160 F HN -0.622 7.292 8.300 -0.394 0.150 0.511 161 R N -0.995 119.469 120.500 -0.059 0.000 2.091 161 R HA -0.323 nan 4.340 nan 0.000 0.238 161 R C 0.585 176.743 176.300 -0.237 0.000 1.136 161 R CA 3.072 59.077 56.100 -0.158 0.000 0.959 161 R CB 0.048 30.348 30.300 -0.001 0.000 0.856 161 R HN -0.525 7.786 8.270 0.069 0.000 0.437 162 E N -4.544 115.580 120.200 -0.127 0.000 2.444 162 E HA 0.027 nan 4.350 nan 0.000 0.191 162 E C -1.425 175.132 176.600 -0.072 0.000 1.041 162 E CA -0.717 55.630 56.400 -0.089 0.000 0.883 162 E CB -0.235 29.473 29.700 0.012 0.000 1.024 162 E HN -0.207 8.077 8.360 -0.074 0.031 0.470 163 D N 0.041 120.379 120.400 -0.104 0.000 2.339 163 D HA -0.038 nan 4.640 nan 0.000 0.245 163 D C 0.665 176.947 176.300 -0.030 0.000 1.115 163 D CA -0.237 53.733 54.000 -0.050 0.000 0.917 163 D CB 1.430 42.208 40.800 -0.037 0.000 1.192 163 D HN -0.902 7.259 8.370 -0.196 0.091 0.428 164 I N 3.719 124.267 120.570 -0.037 0.000 2.142 164 I HA -0.277 nan 4.170 nan 0.000 0.240 164 I C 1.070 177.221 176.117 0.057 0.000 1.078 164 I CA 3.674 64.979 61.300 0.008 0.000 1.343 164 I CB 0.246 38.092 38.000 -0.257 0.000 1.046 164 I HN 0.422 8.577 8.210 -0.092 0.000 0.405 165 G N -2.944 105.846 108.800 -0.016 0.000 2.403 165 G HA2 -0.217 nan 3.960 nan 0.000 0.216 165 G HA3 -0.217 nan 3.960 nan 0.000 0.216 165 G C 1.435 176.251 174.900 -0.140 0.000 1.154 165 G CA 1.696 46.769 45.100 -0.045 0.000 0.784 165 G HN -0.175 8.112 8.290 -0.006 0.000 0.538 166 I N 2.911 123.299 120.570 -0.303 0.000 2.069 166 I HA -0.551 nan 4.170 nan 0.000 0.237 166 I C 1.659 177.669 176.117 -0.178 0.000 1.053 166 I CA 3.056 64.075 61.300 -0.469 0.000 1.311 166 I CB -0.801 36.849 38.000 -0.583 0.000 1.030 166 I HN -0.870 7.347 8.210 -0.291 -0.181 0.398 167 N N -1.154 117.502 118.700 -0.074 0.000 2.270 167 N HA -0.247 nan 4.740 nan 0.000 0.181 167 N C 2.318 177.929 175.510 0.168 0.000 1.016 167 N CA 3.015 56.047 53.050 -0.030 0.000 0.870 167 N CB -0.201 38.139 38.487 -0.245 0.000 0.979 167 N HN -0.075 8.272 8.380 -0.055 0.000 0.431 168 A N 0.422 123.403 122.820 0.267 0.000 1.858 168 A HA -0.280 nan 4.320 nan 0.000 0.216 168 A C 1.585 179.163 177.584 -0.011 0.000 1.190 168 A CA 3.200 55.292 52.037 0.092 0.000 0.617 168 A CB -0.785 18.252 19.000 0.061 0.000 0.827 168 A HN 0.145 8.488 8.150 0.322 0.000 0.443 169 H N 0.140 119.269 119.070 0.098 0.000 2.357 169 H HA -0.458 nan 4.556 nan 0.000 0.296 169 H C 1.981 177.512 175.328 0.339 0.000 1.108 169 H CA 4.057 60.243 56.048 0.230 0.000 1.273 169 H CB -0.000 29.856 29.762 0.157 0.000 1.367 169 H HN -0.199 8.195 8.280 0.190 0.000 0.498 170 H N -1.114 118.068 119.070 0.186 0.000 2.290 170 H HA -0.361 nan 4.556 nan 0.000 0.298 170 H C 2.784 178.337 175.328 0.374 0.000 1.087 170 H CA 3.784 59.991 56.048 0.266 0.000 1.291 170 H CB 0.248 30.129 29.762 0.198 0.000 1.369 170 H HN -0.564 7.911 8.280 0.359 0.020 0.492 171 W N 0.628 122.044 121.300 0.194 0.000 2.332 171 W HA -0.432 nan 4.660 nan 0.000 0.321 171 W C 1.721 178.381 176.519 0.234 0.000 1.219 171 W CA 3.977 61.443 57.345 0.202 0.000 1.277 171 W CB -0.281 29.250 29.460 0.118 0.000 1.161 171 W HN -0.455 8.010 8.180 0.475 0.000 0.476 172 H N -2.539 116.815 119.070 0.474 0.000 2.394 172 H HA -0.435 nan 4.556 nan 0.000 0.297 172 H C 2.309 177.681 175.328 0.073 0.000 1.113 172 H CA 3.218 59.409 56.048 0.238 0.000 1.277 172 H CB -0.867 29.005 29.762 0.183 0.000 1.370 172 H HN -0.035 8.275 8.280 0.049 0.000 0.506 173 W N -0.254 121.036 121.300 -0.017 0.000 2.358 173 W HA -0.380 nan 4.660 nan 0.000 0.303 173 W C 1.880 178.436 176.519 0.062 0.000 1.208 173 W CA 4.806 62.133 57.345 -0.030 0.000 1.274 173 W CB 0.045 29.428 29.460 -0.128 0.000 1.138 173 W HN 0.639 8.936 8.180 0.194 0.000 0.515 174 H N -3.502 115.770 119.070 0.336 0.000 2.539 174 H HA -0.058 nan 4.556 nan 0.000 0.267 174 H C 1.194 176.491 175.328 -0.052 0.000 0.982 174 H CA 2.549 58.723 56.048 0.211 0.000 1.146 174 H CB 0.225 30.164 29.762 0.295 0.000 1.382 174 H HN -0.673 7.878 8.280 0.451 0.000 0.577 175 I N -1.098 119.459 120.570 -0.022 0.000 2.584 175 I HA -0.214 nan 4.170 nan 0.000 0.255 175 I C 1.428 177.455 176.117 -0.150 0.000 1.145 175 I CA 1.262 62.471 61.300 -0.152 0.000 1.462 175 I CB 0.912 38.872 38.000 -0.067 0.000 1.102 175 I HN -0.304 7.842 8.210 0.063 0.102 0.433 176 V N -4.055 115.709 119.914 -0.251 0.000 2.591 176 V HA -0.114 nan 4.120 nan 0.000 0.249 176 V C 0.098 175.696 176.094 -0.828 0.000 1.053 176 V CA 2.458 64.454 62.300 -0.506 0.000 1.068 176 V CB 0.449 31.889 31.823 -0.639 0.000 0.689 176 V HN -0.387 7.691 8.190 -0.188 0.000 0.462 177 Y N -1.509 118.563 120.300 -0.379 0.000 2.919 177 Y HA 0.549 nan 4.550 nan 0.000 0.341 177 Y C -2.605 173.266 175.900 -0.048 0.000 1.045 177 Y CA -3.674 54.218 58.100 -0.347 0.000 1.218 177 Y CB -0.630 37.479 38.460 -0.585 0.000 1.137 177 Y HN -0.099 7.793 8.280 -0.463 0.109 0.577 178 P HA 0.106 nan 4.420 nan 0.000 0.276 178 P C -0.029 177.367 177.300 0.159 0.000 1.230 178 P CA -0.274 62.908 63.100 0.137 0.000 0.776 178 P CB 0.768 32.489 31.700 0.035 0.000 0.888 179 A N 4.523 127.425 122.820 0.136 0.000 1.940 179 A HA -0.294 nan 4.320 nan 0.000 0.219 179 A C 0.743 178.361 177.584 0.058 0.000 1.176 179 A CA 3.049 55.134 52.037 0.079 0.000 0.631 179 A CB -0.504 18.522 19.000 0.044 0.000 0.814 179 A HN 0.648 8.887 8.150 0.148 0.000 0.446 180 T N -6.376 108.190 114.554 0.020 0.000 3.252 180 T HA -0.095 nan 4.350 nan 0.000 0.250 180 T C 0.682 175.309 174.700 -0.123 0.000 1.123 180 T CA -1.088 60.979 62.100 -0.056 0.000 1.006 180 T CB -1.392 67.400 68.868 -0.126 0.000 0.992 180 T HN -0.127 8.121 8.240 0.020 0.004 0.547 181 W N 4.289 125.475 121.300 -0.190 0.000 2.771 181 W HA -0.223 nan 4.660 nan 0.000 0.407 181 W C -1.740 174.685 176.519 -0.156 0.000 1.221 181 W CA -0.161 57.062 57.345 -0.204 0.000 1.539 181 W CB -0.948 28.404 29.460 -0.179 0.000 1.647 181 W HN -0.263 7.833 8.180 0.171 0.186 0.469 182 N N 7.967 126.384 118.700 -0.472 0.000 2.452 182 N HA -0.061 nan 4.740 nan 0.000 0.266 182 N C -1.100 174.018 175.510 -0.652 0.000 1.209 182 N CA -0.956 51.844 53.050 -0.417 0.000 0.929 182 N CB 0.923 39.204 38.487 -0.345 0.000 1.063 182 N HN -0.350 7.716 8.380 -0.458 0.039 0.472 183 P HA -0.116 nan 4.420 nan 0.000 0.216 183 P C 0.040 177.228 177.300 -0.187 0.000 1.153 183 P CA 1.937 64.952 63.100 -0.141 0.000 0.844 183 P CB 0.603 32.327 31.700 0.039 0.000 0.787 184 T N -4.884 109.573 114.554 -0.162 0.000 2.732 184 T HA -0.149 nan 4.350 nan 0.000 0.261 184 T C 2.860 177.465 174.700 -0.158 0.000 1.040 184 T CA 3.186 65.215 62.100 -0.119 0.000 1.145 184 T CB -0.511 68.308 68.868 -0.081 0.000 0.866 184 T HN -0.156 8.158 8.240 -0.165 -0.173 0.427 185 V N 2.062 121.850 119.914 -0.209 0.000 2.759 185 V HA -0.189 nan 4.120 nan 0.000 0.256 185 V C 1.201 177.103 176.094 -0.320 0.000 1.080 185 V CA 3.087 65.259 62.300 -0.213 0.000 1.101 185 V CB -0.647 31.061 31.823 -0.191 0.000 0.698 185 V HN 0.262 8.658 8.190 -0.212 -0.333 0.477 186 M N -2.672 116.628 119.600 -0.500 0.000 2.560 186 M HA 0.166 nan 4.480 nan 0.000 0.297 186 M C 0.451 176.591 176.300 -0.266 0.000 1.201 186 M CA -1.585 53.349 55.300 -0.611 0.000 0.973 186 M CB -0.662 31.107 32.600 -1.384 0.000 1.401 186 M HN -0.408 7.544 8.290 -0.529 0.021 0.497 187 G N 0.534 109.244 108.800 -0.150 0.000 2.458 187 G HA2 -0.411 nan 3.960 nan 0.000 0.237 187 G HA3 -0.411 nan 3.960 nan 0.000 0.237 187 G C -1.018 173.889 174.900 0.013 0.000 1.113 187 G CA 1.107 46.182 45.100 -0.042 0.000 0.655 187 G HN 0.122 8.110 8.290 -0.180 0.194 0.513 188 K N -0.502 119.944 120.400 0.076 0.000 2.522 188 K HA 0.359 nan 4.320 nan 0.000 0.275 188 K C -2.058 174.701 176.600 0.266 0.000 1.006 188 K CA -1.196 55.170 56.287 0.131 0.000 0.890 188 K CB 2.520 35.089 32.500 0.115 0.000 1.475 188 K HN -0.342 7.854 8.250 0.080 0.102 0.441 189 E N -0.186 120.120 120.200 0.177 0.000 2.285 189 E HA 0.206 nan 4.350 nan 0.000 0.254 189 E C -0.651 175.961 176.600 0.020 0.000 1.011 189 E CA -1.525 54.986 56.400 0.185 0.000 0.873 189 E CB 1.619 31.387 29.700 0.114 0.000 1.229 189 E HN 0.176 8.600 8.360 0.106 0.000 0.422 190 K N 0.212 120.599 120.400 -0.021 0.000 2.572 190 K HA 0.281 nan 4.320 nan 0.000 0.244 190 K C -1.144 175.472 176.600 0.026 0.000 0.965 190 K CA -1.427 54.805 56.287 -0.092 0.000 0.943 190 K CB 0.891 33.241 32.500 -0.251 0.000 1.154 190 K HN 0.312 8.597 8.250 0.059 0.000 0.447 191 D N 5.867 126.297 120.400 0.050 0.000 2.502 191 D HA -0.197 nan 4.640 nan 0.000 0.249 191 D C -0.245 176.076 176.300 0.034 0.000 1.188 191 D CA 1.464 55.499 54.000 0.059 0.000 0.890 191 D CB 0.159 41.001 40.800 0.070 0.000 1.140 191 D HN 0.473 8.860 8.370 0.029 0.000 0.505 192 R N -0.227 120.286 120.500 0.023 0.000 3.641 192 R HA -0.525 nan 4.340 nan 0.000 0.286 192 R C 0.514 176.786 176.300 -0.047 0.000 1.153 192 R CA 1.188 57.293 56.100 0.009 0.000 0.775 192 R CB -2.087 28.227 30.300 0.022 0.000 1.215 192 R HN 0.695 8.988 8.270 0.039 0.000 0.474 193 K N -1.038 119.302 120.400 -0.100 0.000 2.152 193 K HA -0.279 nan 4.320 nan 0.000 0.206 193 K C 1.823 178.443 176.600 0.032 0.000 1.048 193 K CA 2.792 58.945 56.287 -0.222 0.000 0.933 193 K CB -0.574 31.808 32.500 -0.197 0.000 0.721 193 K HN -0.500 7.722 8.250 -0.048 0.000 0.447 194 G N -1.108 107.752 108.800 0.102 0.000 2.434 194 G HA2 -0.262 nan 3.960 nan 0.000 0.214 194 G HA3 -0.262 nan 3.960 nan 0.000 0.214 194 G C 0.340 175.411 174.900 0.285 0.000 1.202 194 G CA 1.679 46.919 45.100 0.233 0.000 0.788 194 G HN 0.198 8.824 8.290 0.068 -0.295 0.539 195 E N 2.377 122.679 120.200 0.169 0.000 2.058 195 E HA -0.286 nan 4.350 nan 0.000 0.194 195 E C 1.975 178.643 176.600 0.114 0.000 0.997 195 E CA 2.574 59.052 56.400 0.130 0.000 0.801 195 E CB -0.168 29.583 29.700 0.084 0.000 0.746 195 E HN -0.850 7.767 8.360 0.136 -0.174 0.450 196 L N -0.988 120.301 121.223 0.110 0.000 2.131 196 L HA -0.314 nan 4.340 nan 0.000 0.210 196 L C 1.154 178.185 176.870 0.267 0.000 1.092 196 L CA 2.776 57.723 54.840 0.179 0.000 0.759 196 L CB -0.516 41.630 42.059 0.146 0.000 0.903 196 L HN 0.071 8.351 8.230 0.083 0.000 0.435 197 F N 0.705 120.738 119.950 0.138 0.000 2.234 197 F HA -0.364 nan 4.527 nan 0.000 0.299 197 F C 1.299 176.992 175.800 -0.177 0.000 1.087 197 F CA 3.233 61.201 58.000 -0.054 0.000 1.340 197 F CB -0.062 38.965 39.000 0.045 0.000 1.031 197 F HN -0.482 7.938 8.300 0.390 0.114 0.500 198 F N 1.468 121.004 119.950 -0.689 0.000 2.026 198 F HA -0.491 nan 4.527 nan 0.000 0.296 198 F C 0.616 176.129 175.800 -0.479 0.000 1.133 198 F CA 3.004 60.379 58.000 -1.041 0.000 1.188 198 F CB -0.709 37.449 39.000 -1.403 0.000 0.968 198 F HN 0.044 8.192 8.300 -0.134 0.071 0.476 199 Y N -0.042 119.726 120.300 -0.887 0.000 2.049 199 Y HA -0.558 nan 4.550 nan 0.000 0.277 199 Y C 1.724 177.226 175.900 -0.663 0.000 1.143 199 Y CA 3.549 61.072 58.100 -0.961 0.000 1.115 199 Y CB -0.080 38.059 38.460 -0.535 0.000 0.975 199 Y HN -0.120 8.012 8.280 -0.247 0.000 0.487 200 M N -2.067 117.194 119.600 -0.565 0.000 2.143 200 M HA -0.527 nan 4.480 nan 0.000 0.258 200 M C 1.835 177.627 176.300 -0.848 0.000 1.071 200 M CA 3.054 57.890 55.300 -0.773 0.000 1.088 200 M CB -0.430 31.694 32.600 -0.793 0.000 1.360 200 M HN 0.085 8.235 8.290 -0.233 0.000 0.404 201 H N -2.052 116.646 119.070 -0.621 0.000 2.403 201 H HA -0.142 nan 4.556 nan 0.000 0.298 201 H C 2.446 177.597 175.328 -0.296 0.000 1.059 201 H CA 3.971 59.806 56.048 -0.355 0.000 1.363 201 H CB -0.436 29.113 29.762 -0.355 0.000 1.410 201 H HN -0.458 7.435 8.280 -0.421 0.135 0.528 202 Q N -0.106 119.471 119.800 -0.371 0.000 2.020 202 Q HA -0.402 nan 4.340 nan 0.000 0.202 202 Q C 2.331 178.100 176.000 -0.385 0.000 0.982 202 Q CA 3.457 59.068 55.803 -0.320 0.000 0.838 202 Q CB -0.165 28.302 28.738 -0.451 0.000 0.899 202 Q HN -0.004 7.951 8.270 -0.526 0.000 0.423 203 Q N -1.147 118.214 119.800 -0.731 0.000 2.112 203 Q HA -0.344 nan 4.340 nan 0.000 0.206 203 Q C 2.701 178.295 176.000 -0.678 0.000 0.987 203 Q CA 2.787 58.089 55.803 -0.836 0.000 0.858 203 Q CB -0.433 27.407 28.738 -1.497 0.000 0.905 203 Q HN 0.219 7.897 8.270 -0.987 0.000 0.420 204 M N -0.280 118.956 119.600 -0.606 0.000 2.082 204 M HA -0.433 nan 4.480 nan 0.000 0.258 204 M C 2.073 178.523 176.300 0.250 0.000 1.071 204 M CA 4.517 59.751 55.300 -0.111 0.000 1.103 204 M CB -0.018 32.709 32.600 0.212 0.000 1.307 204 M HN 0.058 7.928 8.290 -0.700 0.000 0.409 205 C N -2.528 116.903 119.300 0.218 0.000 2.472 205 C HA -0.151 nan 4.460 nan 0.000 0.278 205 C C 2.087 177.202 174.990 0.208 0.000 1.447 205 C CA 2.440 61.662 59.018 0.341 0.000 1.773 205 C CB -2.440 25.503 27.740 0.337 0.000 1.793 205 C HN -0.177 8.107 8.230 0.090 0.000 0.544 206 A N 1.191 124.049 122.820 0.064 0.000 1.935 206 A HA -0.134 nan 4.320 nan 0.000 0.214 206 A C 1.487 179.077 177.584 0.011 0.000 1.178 206 A CA 3.034 55.089 52.037 0.030 0.000 0.640 206 A CB -0.628 18.367 19.000 -0.009 0.000 0.825 206 A HN 0.673 8.681 8.150 -0.020 0.129 0.447 207 R N -0.457 120.041 120.500 -0.004 0.000 2.083 207 R HA -0.409 nan 4.340 nan 0.000 0.237 207 R C 2.019 178.196 176.300 -0.204 0.000 1.137 207 R CA 3.574 59.659 56.100 -0.026 0.000 0.951 207 R CB -0.132 30.238 30.300 0.115 0.000 0.851 207 R HN -0.172 8.069 8.270 -0.048 0.000 0.434 208 Y N 0.478 120.598 120.300 -0.300 0.000 2.053 208 Y HA -0.481 nan 4.550 nan 0.000 0.277 208 Y C 1.344 177.072 175.900 -0.286 0.000 1.159 208 Y CA 3.477 61.315 58.100 -0.438 0.000 1.125 208 Y CB -0.151 38.133 38.460 -0.293 0.000 0.969 208 Y HN 0.158 8.571 8.280 0.221 0.000 0.492 209 D N -2.678 117.660 120.400 -0.104 0.000 2.228 209 D HA -0.398 nan 4.640 nan 0.000 0.203 209 D C 2.730 178.926 176.300 -0.172 0.000 0.988 209 D CA 3.266 57.172 54.000 -0.158 0.000 0.864 209 D CB -0.931 39.860 40.800 -0.016 0.000 0.928 209 D HN 0.026 8.331 8.370 0.105 0.127 0.469 210 S N -0.223 115.406 115.700 -0.118 0.000 2.345 210 S HA -0.209 nan 4.470 nan 0.000 0.220 210 S C 2.508 177.059 174.600 -0.082 0.000 1.031 210 S CA 3.038 61.221 58.200 -0.028 0.000 0.996 210 S CB -0.012 63.242 63.200 0.090 0.000 0.882 210 S HN -0.198 8.035 8.310 -0.099 0.017 0.445 211 E N 1.697 121.766 120.200 -0.217 0.000 2.187 211 E HA -0.413 nan 4.350 nan 0.000 0.199 211 E C 2.462 178.901 176.600 -0.269 0.000 1.004 211 E CA 3.164 59.429 56.400 -0.224 0.000 0.813 211 E CB -0.481 28.962 29.700 -0.428 0.000 0.736 211 E HN -0.118 8.008 8.360 -0.292 0.058 0.468 212 R N -1.623 118.610 120.500 -0.445 0.000 2.070 212 R HA -0.277 nan 4.340 nan 0.000 0.233 212 R C 2.586 178.777 176.300 -0.182 0.000 1.137 212 R CA 3.181 59.067 56.100 -0.358 0.000 0.945 212 R CB -0.102 29.941 30.300 -0.429 0.000 0.845 212 R HN 0.245 8.164 8.270 -0.576 0.005 0.430 213 L N -1.495 119.638 121.223 -0.151 0.000 2.201 213 L HA -0.230 nan 4.340 nan 0.000 0.212 213 L C 2.697 179.526 176.870 -0.068 0.000 1.105 213 L CA 2.758 57.531 54.840 -0.112 0.000 0.775 213 L CB -0.615 41.362 42.059 -0.136 0.000 0.913 213 L HN -0.499 7.626 8.230 -0.175 0.000 0.440 214 S N 0.992 116.694 115.700 0.004 0.000 2.368 214 S HA -0.335 nan 4.470 nan 0.000 0.225 214 S C 1.120 175.735 174.600 0.025 0.000 1.030 214 S CA 3.546 61.803 58.200 0.094 0.000 0.999 214 S CB -0.330 62.965 63.200 0.159 0.000 0.844 214 S HN 0.372 8.544 8.310 -0.014 0.130 0.459 215 N N -2.739 115.958 118.700 -0.004 0.000 2.520 215 N HA -0.078 nan 4.740 nan 0.000 0.185 215 N C 0.268 175.758 175.510 -0.034 0.000 1.068 215 N CA 0.920 53.961 53.050 -0.015 0.000 0.911 215 N CB 0.357 38.836 38.487 -0.015 0.000 0.961 215 N HN -0.925 7.437 8.380 -0.015 0.009 0.446 216 G N -1.861 106.907 108.800 -0.054 0.000 2.212 216 G HA2 -0.306 nan 3.960 nan 0.000 0.255 216 G HA3 -0.306 nan 3.960 nan 0.000 0.255 216 G C -0.862 174.001 174.900 -0.061 0.000 1.062 216 G CA 0.275 45.335 45.100 -0.067 0.000 0.815 216 G HN -0.415 7.625 8.290 -0.057 0.215 0.497 217 L N -2.266 118.914 121.223 -0.071 0.000 2.299 217 L HA 0.410 nan 4.340 nan 0.000 0.268 217 L C -0.759 176.063 176.870 -0.082 0.000 1.012 217 L CA -2.105 52.693 54.840 -0.070 0.000 0.816 217 L CB 2.807 44.819 42.059 -0.078 0.000 1.355 217 L HN -0.031 8.150 8.230 -0.082 0.000 0.457 218 Q N -3.300 116.460 119.800 -0.067 0.000 2.260 218 Q HA 0.175 nan 4.340 nan 0.000 0.238 218 Q C -0.396 175.556 176.000 -0.080 0.000 0.948 218 Q CA -1.005 54.761 55.803 -0.063 0.000 0.895 218 Q CB 0.975 29.692 28.738 -0.035 0.000 1.218 218 Q HN 0.039 8.278 8.270 -0.051 0.000 0.470 219 R N -0.301 120.157 120.500 -0.069 0.000 2.740 219 R HA -0.259 nan 4.340 nan 0.000 0.263 219 R C -0.142 176.159 176.300 0.003 0.000 0.997 219 R CA 1.258 57.326 56.100 -0.052 0.000 1.108 219 R CB 0.400 30.689 30.300 -0.019 0.000 0.969 219 R HN -0.177 8.279 8.270 -0.064 -0.224 0.431 220 M N 1.909 121.546 119.600 0.063 0.000 2.188 220 M HA -0.128 nan 4.480 nan 0.000 0.354 220 M C -0.375 176.015 176.300 0.149 0.000 1.342 220 M CA -1.017 54.377 55.300 0.157 0.000 1.117 220 M CB 0.785 33.595 32.600 0.349 0.000 1.670 220 M HN -0.011 8.680 8.290 0.070 -0.359 0.466 221 I N 7.107 127.756 120.570 0.131 0.000 2.598 221 I HA 0.061 nan 4.170 nan 0.000 0.284 221 I C -1.824 174.382 176.117 0.148 0.000 1.140 221 I CA -2.719 58.651 61.300 0.116 0.000 1.420 221 I CB 0.963 39.016 38.000 0.087 0.000 1.387 221 I HN 0.103 8.387 8.210 0.123 0.000 0.553 222 P HA 0.003 nan 4.420 nan 0.000 0.271 222 P C -1.155 176.220 177.300 0.123 0.000 1.218 222 P CA -0.866 62.331 63.100 0.163 0.000 0.780 222 P CB 0.726 32.531 31.700 0.176 0.000 0.901 223 F N 4.024 123.898 119.950 -0.126 0.000 2.661 223 F HA -0.069 nan 4.527 nan 0.000 0.356 223 F C -1.189 174.101 175.800 -0.850 0.000 1.244 223 F CA -1.119 56.657 58.000 -0.374 0.000 1.290 223 F CB -1.223 37.584 39.000 -0.321 0.000 1.677 223 F HN 0.192 8.531 8.300 0.186 0.072 0.649 224 H N 4.004 122.717 119.070 -0.595 0.000 2.436 224 H HA -0.096 nan 4.556 nan 0.000 0.294 224 H C -0.454 174.458 175.328 -0.692 0.000 1.048 224 H CA 2.052 57.790 56.048 -0.517 0.000 1.353 224 H CB 0.991 30.656 29.762 -0.162 0.000 1.414 224 H HN -0.092 8.012 8.280 -0.207 0.052 0.536 225 N N -2.391 115.856 118.700 -0.754 0.000 2.384 225 N HA -0.002 nan 4.740 nan 0.000 0.301 225 N C -0.447 174.409 175.510 -1.090 0.000 1.133 225 N CA -1.414 51.283 53.050 -0.590 0.000 0.853 225 N CB 1.636 39.970 38.487 -0.255 0.000 1.241 225 N HN -0.508 7.416 8.380 -0.760 0.000 0.502 226 F N -0.594 119.015 119.950 -0.568 0.000 2.530 226 F HA -0.036 nan 4.527 nan 0.000 0.292 226 F C 0.952 176.652 175.800 -0.167 0.000 1.109 226 F CA 1.841 59.609 58.000 -0.387 0.000 1.450 226 F CB 0.736 39.685 39.000 -0.086 0.000 1.114 226 F HN 0.423 8.759 8.300 0.060 0.000 0.560 227 D N -0.902 119.498 120.400 0.000 0.000 2.104 227 D HA -0.256 nan 4.640 nan 0.000 0.194 227 D C 0.786 177.090 176.300 0.007 0.000 0.994 227 D CA 2.683 56.687 54.000 0.007 0.000 0.830 227 D CB -0.295 40.494 40.800 -0.018 0.000 0.959 227 D HN -0.708 7.894 8.370 -0.015 -0.241 0.452 228 E N -0.341 119.818 120.200 -0.070 0.000 2.493 228 E HA 0.078 nan 4.350 nan 0.000 0.255 228 E C -1.335 175.340 176.600 0.126 0.000 0.999 228 E CA -1.127 55.263 56.400 -0.016 0.000 0.934 228 E CB -0.686 28.959 29.700 -0.092 0.000 0.940 228 E HN 0.014 8.270 8.360 -0.172 0.000 0.473 229 P HA -0.139 nan 4.420 nan 0.000 0.267 229 P C -1.559 175.881 177.300 0.233 0.000 1.195 229 P CA 0.668 63.876 63.100 0.181 0.000 0.773 229 P CB 0.361 32.133 31.700 0.119 0.000 0.837 230 L N 1.625 122.990 121.223 0.237 0.000 2.325 230 L HA 0.204 nan 4.340 nan 0.000 0.279 230 L C -0.129 176.846 176.870 0.176 0.000 1.054 230 L CA -0.668 54.285 54.840 0.188 0.000 0.804 230 L CB 1.051 43.184 42.059 0.125 0.000 1.200 230 L HN 0.354 8.633 8.230 0.256 0.104 0.436 231 E N 2.031 122.319 120.200 0.148 0.000 2.422 231 E HA -0.150 nan 4.350 nan 0.000 0.260 231 E C 0.360 177.054 176.600 0.156 0.000 1.108 231 E CA 0.637 57.124 56.400 0.146 0.000 0.943 231 E CB 0.773 30.553 29.700 0.133 0.000 0.961 231 E HN 0.282 8.724 8.360 0.136 0.000 0.443 232 G N -0.562 108.338 108.800 0.167 0.000 2.377 232 G HA2 0.362 nan 3.960 nan 0.000 0.299 232 G HA3 0.362 nan 3.960 nan 0.000 0.299 232 G C -1.759 173.287 174.900 0.243 0.000 1.150 232 G CA -0.430 44.772 45.100 0.169 0.000 0.847 232 G HN 0.023 8.408 8.290 0.159 0.000 0.501 233 Y N 3.829 124.146 120.300 0.029 0.000 2.474 233 Y HA 0.069 nan 4.550 nan 0.000 0.326 233 Y C -2.893 172.991 175.900 -0.026 0.000 1.160 233 Y CA 0.465 58.577 58.100 0.021 0.000 1.056 233 Y CB 4.263 42.740 38.460 0.029 0.000 1.330 233 Y HN 0.789 9.052 8.280 0.152 0.108 0.447 234 A N 5.957 128.331 122.820 -0.743 0.000 2.323 234 A HA 0.472 nan 4.320 nan 0.000 0.305 234 A C -1.872 175.073 177.584 -1.066 0.000 1.275 234 A CA -4.400 47.178 52.037 -0.766 0.000 0.804 234 A CB 0.538 19.139 19.000 -0.664 0.000 1.152 234 A HN 0.325 7.996 8.150 -0.798 0.000 0.487 235 P HA -0.182 nan 4.420 nan 0.000 0.220 235 P C -0.710 176.564 177.300 -0.043 0.000 1.148 235 P CA 1.142 64.056 63.100 -0.309 0.000 0.803 235 P CB 0.173 31.802 31.700 -0.119 0.000 0.782 236 H N -6.869 112.118 119.070 -0.139 0.000 2.880 236 H HA -0.289 nan 4.556 nan 0.000 0.304 236 H C -1.709 173.622 175.328 0.004 0.000 1.259 236 H CA 0.360 56.376 56.048 -0.052 0.000 1.153 236 H CB -1.897 27.842 29.762 -0.038 0.000 1.395 236 H HN 0.394 8.397 8.280 -0.392 0.042 0.420 237 L N -0.546 120.732 121.223 0.092 0.000 2.377 237 L HA 0.361 nan 4.340 nan 0.000 0.270 237 L C -1.218 175.780 176.870 0.213 0.000 0.991 237 L CA -0.902 54.016 54.840 0.130 0.000 0.851 237 L CB 1.747 43.825 42.059 0.032 0.000 1.218 237 L HN -0.285 7.973 8.230 0.047 0.000 0.420 238 T N -0.469 114.187 114.554 0.169 0.000 2.875 238 T HA 0.460 nan 4.350 nan 0.000 0.284 238 T C -0.125 174.673 174.700 0.163 0.000 0.995 238 T CA -2.443 59.745 62.100 0.146 0.000 1.060 238 T CB 1.168 70.092 68.868 0.093 0.000 0.967 238 T HN 0.119 8.447 8.240 0.147 0.000 0.476 239 S N 3.320 119.088 115.700 0.114 0.000 2.499 239 S HA 0.251 nan 4.470 nan 0.000 0.275 239 S C 1.654 176.322 174.600 0.113 0.000 1.257 239 S CA -1.490 56.781 58.200 0.118 0.000 1.050 239 S CB 0.740 63.930 63.200 -0.017 0.000 0.937 239 S HN 0.037 8.377 8.310 0.050 0.000 0.490 240 L N 1.609 122.932 121.223 0.167 0.000 2.450 240 L HA -0.067 nan 4.340 nan 0.000 0.224 240 L C 0.644 177.595 176.870 0.134 0.000 1.149 240 L CA 2.087 57.017 54.840 0.150 0.000 0.816 240 L CB -0.761 41.406 42.059 0.180 0.000 0.932 240 L HN -0.033 8.559 8.230 0.219 -0.231 0.449 241 V N -7.510 112.487 119.914 0.138 0.000 3.141 241 V HA -0.100 nan 4.120 nan 0.000 0.265 241 V C 0.418 176.545 176.094 0.054 0.000 1.126 241 V CA 0.301 62.666 62.300 0.109 0.000 1.141 241 V CB -0.973 30.909 31.823 0.098 0.000 0.743 241 V HN 0.241 8.460 8.190 0.144 0.057 0.492 242 S N -0.338 115.385 115.700 0.039 0.000 3.407 242 S HA 0.223 nan 4.470 nan 0.000 0.315 242 S C -0.742 173.869 174.600 0.018 0.000 1.211 242 S CA -0.054 58.157 58.200 0.018 0.000 1.148 242 S CB 1.359 64.560 63.200 0.002 0.000 1.511 242 S HN -0.634 7.644 8.310 0.049 0.062 0.604 243 G N -0.685 108.120 108.800 0.008 0.000 2.709 243 G HA2 0.205 nan 3.960 nan 0.000 0.208 243 G HA3 0.205 nan 3.960 nan 0.000 0.208 243 G C 0.062 174.966 174.900 0.006 0.000 1.129 243 G CA 0.178 45.284 45.100 0.011 0.000 0.793 243 G HN 0.119 8.410 8.290 0.002 0.000 0.524 244 L N 0.728 121.945 121.223 -0.010 0.000 2.425 244 L HA 0.047 nan 4.340 nan 0.000 0.225 244 L C -0.661 176.189 176.870 -0.033 0.000 1.222 244 L CA 0.592 55.417 54.840 -0.025 0.000 0.832 244 L CB 0.887 42.920 42.059 -0.042 0.000 1.238 244 L HN -0.734 7.489 8.230 -0.013 0.000 0.533 245 Q N -5.488 114.283 119.800 -0.049 0.000 2.534 245 Q HA 0.277 nan 4.340 nan 0.000 0.290 245 Q C -1.250 174.707 176.000 -0.071 0.000 0.991 245 Q CA -1.502 54.283 55.803 -0.031 0.000 0.783 245 Q CB 2.765 31.535 28.738 0.053 0.000 1.470 245 Q HN -0.217 8.021 8.270 -0.054 0.000 0.406 246 Y N 0.438 120.735 120.300 -0.004 0.000 2.828 246 Y HA -0.308 nan 4.550 nan 0.000 0.359 246 Y C -0.125 175.759 175.900 -0.028 0.000 1.258 246 Y CA 1.387 59.481 58.100 -0.009 0.000 1.652 246 Y CB -1.103 37.350 38.460 -0.012 0.000 1.232 246 Y HN -0.293 8.145 8.280 0.262 0.000 0.513 247 A N 7.464 130.329 122.820 0.075 0.000 2.567 247 A HA -0.154 nan 4.320 nan 0.000 0.240 247 A C -1.276 176.322 177.584 0.023 0.000 1.053 247 A CA 0.935 52.989 52.037 0.028 0.000 0.755 247 A CB 0.577 19.586 19.000 0.016 0.000 0.978 247 A HN 0.116 8.289 8.150 0.037 0.000 0.507 248 S N 0.177 115.860 115.700 -0.028 0.000 2.549 248 S HA 0.243 nan 4.470 nan 0.000 0.297 248 S C -0.797 173.767 174.600 -0.060 0.000 1.115 248 S CA -1.925 56.244 58.200 -0.050 0.000 1.059 248 S CB 1.808 64.928 63.200 -0.133 0.000 1.046 248 S HN -0.401 7.882 8.310 -0.045 0.000 0.506 249 R N 2.774 123.258 120.500 -0.026 0.000 2.234 249 R HA 0.425 nan 4.340 nan 0.000 0.324 249 R C -1.624 174.661 176.300 -0.024 0.000 1.054 249 R CA -2.748 53.319 56.100 -0.054 0.000 0.912 249 R CB 0.714 31.017 30.300 0.004 0.000 1.030 249 R HN 0.173 8.454 8.270 0.017 0.000 0.455 250 P HA -0.025 nan 4.420 nan 0.000 0.275 250 P C -1.129 176.300 177.300 0.216 0.000 1.228 250 P CA -0.385 62.758 63.100 0.071 0.000 0.786 250 P CB 0.556 32.320 31.700 0.107 0.000 0.927 251 E N 0.785 121.120 120.200 0.224 0.000 2.425 251 E HA -0.288 nan 4.350 nan 0.000 0.258 251 E C 0.656 177.436 176.600 0.300 0.000 1.151 251 E CA 0.080 56.622 56.400 0.236 0.000 0.958 251 E CB -0.176 29.618 29.700 0.158 0.000 0.968 251 E HN -0.008 8.453 8.360 0.169 0.000 0.451 252 G N 0.097 109.024 108.800 0.211 0.000 2.182 252 G HA2 -0.443 nan 3.960 nan 0.000 0.248 252 G HA3 -0.443 nan 3.960 nan 0.000 0.248 252 G C -1.471 173.411 174.900 -0.029 0.000 1.042 252 G CA 0.209 45.359 45.100 0.084 0.000 0.775 252 G HN 0.072 8.483 8.290 0.201 0.000 0.501 253 Y N -0.524 119.843 120.300 0.111 0.000 2.331 253 Y HA 0.135 nan 4.550 nan 0.000 0.338 253 Y C -1.117 174.881 175.900 0.164 0.000 0.976 253 Y CA -1.635 56.549 58.100 0.140 0.000 1.137 253 Y CB 1.235 39.775 38.460 0.133 0.000 1.172 253 Y HN -0.875 7.626 8.280 0.367 0.000 0.478 254 S N 2.597 118.421 115.700 0.207 0.000 2.603 254 S HA 0.207 nan 4.470 nan 0.000 0.268 254 S C -0.940 173.830 174.600 0.284 0.000 1.317 254 S CA -0.685 57.627 58.200 0.186 0.000 1.012 254 S CB 0.946 64.167 63.200 0.036 0.000 0.926 254 S HN 0.534 8.897 8.310 0.088 0.000 0.539 255 I N 3.190 123.906 120.570 0.244 0.000 2.696 255 I HA -0.050 nan 4.170 nan 0.000 0.284 255 I C -1.560 174.653 176.117 0.161 0.000 1.129 255 I CA -0.220 61.248 61.300 0.280 0.000 1.410 255 I CB 0.932 39.164 38.000 0.387 0.000 1.399 255 I HN 0.054 8.396 8.210 0.221 0.000 0.579 256 H N 6.334 125.486 119.070 0.137 0.000 2.717 256 H HA 0.239 nan 4.556 nan 0.000 0.366 256 H C -1.410 173.961 175.328 0.071 0.000 1.132 256 H CA -1.118 54.990 56.048 0.100 0.000 1.180 256 H CB 3.219 33.045 29.762 0.107 0.000 1.678 256 H HN 0.354 8.820 8.280 0.309 0.000 0.537 257 D N 1.856 122.342 120.400 0.144 0.000 2.364 257 D HA 0.093 nan 4.640 nan 0.000 0.236 257 D C -0.863 175.488 176.300 0.085 0.000 1.221 257 D CA 1.114 55.151 54.000 0.063 0.000 0.891 257 D CB 0.543 41.351 40.800 0.012 0.000 1.190 257 D HN 0.101 8.539 8.370 0.114 0.000 0.449 258 L N -1.329 119.919 121.223 0.041 0.000 2.323 258 L HA 0.323 nan 4.340 nan 0.000 0.265 258 L C 0.400 177.299 176.870 0.047 0.000 1.012 258 L CA -1.236 53.647 54.840 0.071 0.000 0.820 258 L CB 2.381 44.498 42.059 0.097 0.000 1.334 258 L HN 0.257 8.479 8.230 -0.013 0.000 0.427 259 S N 1.008 116.761 115.700 0.089 0.000 2.465 259 S HA -0.333 nan 4.470 nan 0.000 0.241 259 S C 0.077 174.712 174.600 0.059 0.000 1.000 259 S CA 2.737 60.985 58.200 0.081 0.000 0.964 259 S CB -0.038 63.237 63.200 0.124 0.000 0.763 259 S HN 0.829 9.209 8.310 0.116 0.000 0.512 260 D N 0.849 121.274 120.400 0.043 0.000 2.429 260 D HA 0.005 nan 4.640 nan 0.000 0.242 260 D C -0.539 175.640 176.300 -0.201 0.000 1.076 260 D CA 0.740 54.706 54.000 -0.057 0.000 0.955 260 D CB 0.710 41.495 40.800 -0.025 0.000 1.076 260 D HN -0.029 8.362 8.370 0.091 0.033 0.448 261 V N 1.171 120.899 119.914 -0.309 0.000 2.628 261 V HA 0.145 nan 4.120 nan 0.000 0.306 261 V C -1.280 174.647 176.094 -0.279 0.000 1.045 261 V CA -1.472 60.576 62.300 -0.420 0.000 0.905 261 V CB 2.779 34.148 31.823 -0.757 0.000 0.997 261 V HN -0.425 7.631 8.190 -0.223 0.000 0.436 262 D N 3.722 123.943 120.400 -0.300 0.000 2.339 262 D HA 0.059 nan 4.640 nan 0.000 0.245 262 D C 1.112 177.237 176.300 -0.293 0.000 1.115 262 D CA -0.176 53.679 54.000 -0.242 0.000 0.917 262 D CB 0.887 41.551 40.800 -0.227 0.000 1.192 262 D HN -0.056 8.110 8.370 -0.340 0.000 0.428 263 V N 0.636 120.424 119.914 -0.210 0.000 2.490 263 V HA -0.415 nan 4.120 nan 0.000 0.250 263 V C 1.776 177.626 176.094 -0.408 0.000 1.061 263 V CA 4.055 66.209 62.300 -0.242 0.000 1.064 263 V CB -0.906 30.835 31.823 -0.135 0.000 0.670 263 V HN 0.191 8.620 8.190 -0.151 -0.330 0.461 264 Q N -0.240 119.350 119.800 -0.351 0.000 2.030 264 Q HA -0.465 nan 4.340 nan 0.000 0.204 264 Q C 1.556 177.262 176.000 -0.489 0.000 0.986 264 Q CA 3.866 59.446 55.803 -0.371 0.000 0.843 264 Q CB -0.458 28.114 28.738 -0.276 0.000 0.904 264 Q HN 0.182 8.268 8.270 -0.278 0.017 0.420 265 D N 0.007 120.044 120.400 -0.605 0.000 2.218 265 D HA -0.230 nan 4.640 nan 0.000 0.204 265 D C 2.533 177.980 176.300 -1.422 0.000 0.976 265 D CA 3.198 56.637 54.000 -0.936 0.000 0.853 265 D CB -0.152 40.066 40.800 -0.970 0.000 0.939 265 D HN -0.346 7.929 8.370 -0.525 -0.220 0.481 266 M N -0.773 118.224 119.600 -1.006 0.000 2.080 266 M HA -0.332 nan 4.480 nan 0.000 0.260 266 M C 2.369 178.512 176.300 -0.262 0.000 1.068 266 M CA 3.201 58.235 55.300 -0.444 0.000 1.109 266 M CB -0.897 31.608 32.600 -0.158 0.000 1.342 266 M HN -0.496 7.297 8.290 -0.811 0.010 0.405 267 V N -0.206 119.410 119.914 -0.495 0.000 2.407 267 V HA -0.448 nan 4.120 nan 0.000 0.248 267 V C 2.365 178.335 176.094 -0.208 0.000 1.055 267 V CA 4.357 66.422 62.300 -0.391 0.000 1.049 267 V CB -1.085 30.457 31.823 -0.469 0.000 0.662 267 V HN -0.055 7.692 8.190 -0.593 0.087 0.455 268 R N -0.923 119.391 120.500 -0.310 0.000 2.073 268 R HA -0.243 nan 4.340 nan 0.000 0.229 268 R C 1.889 178.114 176.300 -0.124 0.000 1.120 268 R CA 3.394 59.347 56.100 -0.245 0.000 0.967 268 R CB 0.123 30.229 30.300 -0.323 0.000 0.862 268 R HN 0.144 8.048 8.270 -0.445 0.099 0.436 269 W N -1.459 119.769 121.300 -0.120 0.000 2.325 269 W HA -0.283 nan 4.660 nan 0.000 0.299 269 W C 2.534 179.060 176.519 0.011 0.000 1.215 269 W CA 2.536 59.841 57.345 -0.067 0.000 1.244 269 W CB -0.921 28.554 29.460 0.025 0.000 1.140 269 W HN 0.099 8.023 8.180 -0.427 0.000 0.523 270 R N -2.240 118.423 120.500 0.272 0.000 2.092 270 R HA -0.387 nan 4.340 nan 0.000 0.231 270 R C 1.861 178.222 176.300 0.102 0.000 1.119 270 R CA 3.572 59.789 56.100 0.196 0.000 0.970 270 R CB -0.121 30.339 30.300 0.266 0.000 0.864 270 R HN -0.457 7.953 8.270 0.246 0.008 0.440 271 E N -0.964 119.273 120.200 0.061 0.000 2.076 271 E HA -0.173 nan 4.350 nan 0.000 0.190 271 E C 2.613 179.233 176.600 0.033 0.000 0.979 271 E CA 2.077 58.491 56.400 0.024 0.000 0.807 271 E CB -0.722 28.971 29.700 -0.011 0.000 0.761 271 E HN -0.325 7.917 8.360 0.046 0.146 0.454 272 R N -1.042 119.469 120.500 0.019 0.000 2.185 272 R HA -0.318 nan 4.340 nan 0.000 0.247 272 R C 2.980 179.427 176.300 0.245 0.000 1.159 272 R CA 3.037 59.171 56.100 0.058 0.000 0.988 272 R CB -0.261 29.882 30.300 -0.261 0.000 0.871 272 R HN 0.278 8.536 8.270 -0.019 0.000 0.458 273 I N -1.186 119.512 120.570 0.214 0.000 2.385 273 I HA -0.307 nan 4.170 nan 0.000 0.244 273 I C 1.368 177.503 176.117 0.029 0.000 1.089 273 I CA 3.262 64.695 61.300 0.223 0.000 1.410 273 I CB 0.342 38.431 38.000 0.149 0.000 1.117 273 I HN -0.688 7.458 8.210 0.154 0.156 0.429 274 L N -1.145 120.069 121.223 -0.014 0.000 2.201 274 L HA -0.428 nan 4.340 nan 0.000 0.212 274 L C 2.201 179.017 176.870 -0.091 0.000 1.105 274 L CA 3.121 57.913 54.840 -0.080 0.000 0.775 274 L CB -0.989 41.034 42.059 -0.059 0.000 0.913 274 L HN -0.159 8.083 8.230 0.019 0.000 0.440 275 D N -0.511 119.859 120.400 -0.049 0.000 2.117 275 D HA -0.310 nan 4.640 nan 0.000 0.197 275 D C 1.588 177.803 176.300 -0.142 0.000 0.987 275 D CA 4.160 58.120 54.000 -0.065 0.000 0.829 275 D CB -0.125 40.665 40.800 -0.015 0.000 0.961 275 D HN -0.138 8.225 8.370 -0.011 0.000 0.460 276 A N -0.962 121.777 122.820 -0.136 0.000 2.015 276 A HA -0.161 nan 4.320 nan 0.000 0.219 276 A C 2.141 179.513 177.584 -0.354 0.000 1.163 276 A CA 2.694 54.569 52.037 -0.270 0.000 0.646 276 A CB -0.745 18.196 19.000 -0.099 0.000 0.806 276 A HN -0.473 7.550 8.150 -0.035 0.105 0.448 277 I N -1.880 118.489 120.570 -0.335 0.000 2.142 277 I HA -0.560 nan 4.170 nan 0.000 0.240 277 I C 1.912 177.665 176.117 -0.607 0.000 1.078 277 I CA 3.986 65.010 61.300 -0.459 0.000 1.343 277 I CB -0.414 37.377 38.000 -0.348 0.000 1.046 277 I HN 0.066 8.128 8.210 -0.247 0.000 0.405 278 N N -0.955 117.535 118.700 -0.350 0.000 2.104 278 N HA -0.232 nan 4.740 nan 0.000 0.190 278 N C 2.226 177.686 175.510 -0.084 0.000 1.024 278 N CA 2.859 55.788 53.050 -0.202 0.000 0.853 278 N CB -0.029 38.408 38.487 -0.083 0.000 1.008 278 N HN -0.515 7.644 8.380 -0.255 0.068 0.424 279 M N -2.029 117.470 119.600 -0.169 0.000 2.394 279 M HA -0.193 nan 4.480 nan 0.000 0.264 279 M C -0.793 175.503 176.300 -0.005 0.000 1.073 279 M CA 2.512 57.736 55.300 -0.128 0.000 1.111 279 M CB 0.136 32.446 32.600 -0.484 0.000 1.401 279 M HN 0.319 8.360 8.290 -0.236 0.108 0.448 280 H N -7.489 111.504 119.070 -0.128 0.000 2.936 280 H HA -0.344 nan 4.556 nan 0.000 0.276 280 H C -1.370 174.011 175.328 0.089 0.000 1.216 280 H CA 1.053 57.111 56.048 0.018 0.000 1.132 280 H CB -2.993 26.847 29.762 0.130 0.000 1.303 280 H HN -0.653 7.104 8.280 -0.452 0.252 0.370 281 Y N -6.615 113.704 120.300 0.032 0.000 2.670 281 Y HA 0.848 nan 4.550 nan 0.000 0.334 281 Y C -2.532 173.345 175.900 -0.039 0.000 1.185 281 Y CA -2.280 55.828 58.100 0.012 0.000 1.053 281 Y CB 3.166 41.647 38.460 0.034 0.000 1.298 281 Y HN -0.465 7.555 8.280 -0.434 0.000 0.459 282 I N -4.165 116.551 120.570 0.244 0.000 2.647 282 I HA 0.535 nan 4.170 nan 0.000 0.295 282 I C -1.518 174.695 176.117 0.160 0.000 1.078 282 I CA -1.733 59.641 61.300 0.125 0.000 1.048 282 I CB 3.845 41.771 38.000 -0.123 0.000 1.239 282 I HN 0.152 8.518 8.210 0.260 0.000 0.421 283 V N -1.739 118.247 119.914 0.119 0.000 2.348 283 V HA 0.403 nan 4.120 nan 0.000 0.270 283 V C -0.232 175.904 176.094 0.071 0.000 1.037 283 V CA -2.441 59.881 62.300 0.038 0.000 0.872 283 V CB -0.827 30.949 31.823 -0.078 0.000 1.002 283 V HN -0.230 8.043 8.190 0.139 0.000 0.464 284 D N 7.493 127.925 120.400 0.053 0.000 2.398 284 D HA 0.159 nan 4.640 nan 0.000 0.247 284 D C 1.387 177.726 176.300 0.065 0.000 1.227 284 D CA -0.874 53.163 54.000 0.062 0.000 0.980 284 D CB 0.975 41.795 40.800 0.033 0.000 1.106 284 D HN -0.470 7.921 8.370 0.034 0.000 0.493 285 K N -0.262 120.180 120.400 0.070 0.000 2.589 285 K HA -0.288 nan 4.320 nan 0.000 0.195 285 K C 0.084 176.712 176.600 0.046 0.000 1.040 285 K CA 2.349 58.676 56.287 0.066 0.000 0.950 285 K CB -0.720 31.819 32.500 0.064 0.000 0.781 285 K HN 0.509 8.803 8.250 0.073 0.000 0.486 286 D N -5.479 114.941 120.400 0.034 0.000 2.379 286 D HA -0.008 nan 4.640 nan 0.000 0.208 286 D C -0.162 176.149 176.300 0.018 0.000 1.065 286 D CA -0.671 53.342 54.000 0.023 0.000 0.848 286 D CB -0.338 40.470 40.800 0.013 0.000 0.949 286 D HN -0.534 7.781 8.370 0.032 0.074 0.509 287 N N -3.578 115.134 118.700 0.020 0.000 2.994 287 N HA -0.415 nan 4.740 nan 0.000 0.221 287 N C -1.158 174.346 175.510 -0.010 0.000 0.900 287 N CA 1.520 54.576 53.050 0.010 0.000 1.008 287 N CB -1.576 36.919 38.487 0.014 0.000 1.053 287 N HN 0.426 8.704 8.380 0.028 0.119 0.580 288 N N 1.889 120.582 118.700 -0.013 0.000 2.488 288 N HA 0.041 nan 4.740 nan 0.000 0.274 288 N C -0.949 174.536 175.510 -0.042 0.000 1.111 288 N CA 0.433 53.463 53.050 -0.034 0.000 0.974 288 N CB 1.060 39.531 38.487 -0.026 0.000 1.089 288 N HN -0.458 8.183 8.380 -0.002 -0.262 0.465 289 K N 2.562 122.903 120.400 -0.098 0.000 2.292 289 K HA 0.201 nan 4.320 nan 0.000 0.290 289 K C -0.247 176.318 176.600 -0.059 0.000 1.083 289 K CA -0.261 55.947 56.287 -0.133 0.000 0.918 289 K CB -0.524 31.709 32.500 -0.444 0.000 1.089 289 K HN 0.160 8.339 8.250 -0.119 0.000 0.473 290 I N 0.844 121.421 120.570 0.013 0.000 2.488 290 I HA 0.548 nan 4.170 nan 0.000 0.299 290 I C -2.041 174.126 176.117 0.083 0.000 0.984 290 I CA -3.334 57.981 61.300 0.025 0.000 1.250 290 I CB 0.990 38.996 38.000 0.010 0.000 1.389 290 I HN 0.294 8.523 8.210 0.032 0.000 0.488 291 P HA 0.100 nan 4.420 nan 0.000 0.271 291 P C -0.718 176.693 177.300 0.186 0.000 1.216 291 P CA -0.181 63.014 63.100 0.158 0.000 0.771 291 P CB 0.121 31.902 31.700 0.135 0.000 0.864 292 L N 5.598 126.960 121.223 0.230 0.000 2.391 292 L HA -0.051 nan 4.340 nan 0.000 0.249 292 L C -0.556 176.587 176.870 0.455 0.000 1.308 292 L CA -0.837 54.177 54.840 0.289 0.000 1.209 292 L CB -1.345 40.782 42.059 0.113 0.000 1.401 292 L HN 0.273 8.570 8.230 0.260 0.089 0.416 293 D N 3.113 123.710 120.400 0.328 0.000 2.354 293 D HA -0.097 nan 4.640 nan 0.000 0.238 293 D C 1.011 177.367 176.300 0.092 0.000 1.250 293 D CA 0.119 54.249 54.000 0.217 0.000 0.911 293 D CB 2.134 43.063 40.800 0.215 0.000 1.163 293 D HN -0.346 8.124 8.370 0.281 0.069 0.456 294 I N -0.056 120.355 120.570 -0.265 0.000 2.090 294 I HA -0.477 nan 4.170 nan 0.000 0.236 294 I C 1.611 177.377 176.117 -0.586 0.000 1.064 294 I CA 3.558 64.305 61.300 -0.922 0.000 1.324 294 I CB 0.148 37.715 38.000 -0.722 0.000 1.044 294 I HN 0.122 8.237 8.210 -0.159 0.000 0.399 295 E N -1.932 118.036 120.200 -0.386 0.000 2.001 295 E HA -0.358 nan 4.350 nan 0.000 0.193 295 E C 2.915 179.350 176.600 -0.274 0.000 0.994 295 E CA 2.897 59.063 56.400 -0.391 0.000 0.815 295 E CB -0.085 29.233 29.700 -0.637 0.000 0.770 295 E HN -0.614 7.663 8.360 -0.338 -0.121 0.453 296 H N -1.090 117.996 119.070 0.027 0.000 2.421 296 H HA -0.183 nan 4.556 nan 0.000 0.298 296 H C 2.560 177.969 175.328 0.135 0.000 1.087 296 H CA 2.701 58.790 56.048 0.067 0.000 1.330 296 H CB -0.351 29.443 29.762 0.054 0.000 1.388 296 H HN 0.082 8.448 8.280 -0.459 -0.361 0.526 297 G N -1.651 107.332 108.800 0.304 0.000 2.550 297 G HA2 -0.469 nan 3.960 nan 0.000 0.222 297 G HA3 -0.469 nan 3.960 nan 0.000 0.222 297 G C 0.770 175.905 174.900 0.392 0.000 1.113 297 G CA 2.491 47.863 45.100 0.454 0.000 0.748 297 G HN -0.211 8.194 8.290 0.250 0.036 0.585 298 T N 2.202 116.950 114.554 0.323 0.000 3.035 298 T HA -0.077 nan 4.350 nan 0.000 0.259 298 T C 1.763 176.602 174.700 0.232 0.000 1.078 298 T CA 3.767 66.037 62.100 0.282 0.000 1.132 298 T CB -0.301 68.676 68.868 0.181 0.000 0.900 298 T HN -0.714 7.624 8.240 0.252 0.054 0.480 299 D N 2.849 123.357 120.400 0.180 0.000 2.123 299 D HA -0.090 nan 4.640 nan 0.000 0.200 299 D C 1.305 177.694 176.300 0.147 0.000 0.976 299 D CA 2.918 57.010 54.000 0.153 0.000 0.831 299 D CB 0.007 40.882 40.800 0.125 0.000 0.974 299 D HN -0.112 8.361 8.370 0.172 0.000 0.469 300 I N -4.046 116.604 120.570 0.134 0.000 2.928 300 I HA -0.056 nan 4.170 nan 0.000 0.266 300 I C 1.612 177.733 176.117 0.008 0.000 1.234 300 I CA 2.685 64.024 61.300 0.064 0.000 1.483 300 I CB -0.016 38.014 38.000 0.050 0.000 1.097 300 I HN -0.398 7.910 8.210 0.163 0.000 0.455 301 L N 0.848 122.111 121.223 0.067 0.000 2.162 301 L HA 0.003 nan 4.340 nan 0.000 0.205 301 L C 1.373 178.344 176.870 0.168 0.000 1.086 301 L CA 2.114 56.955 54.840 0.002 0.000 0.778 301 L CB -0.059 41.993 42.059 -0.011 0.000 0.928 301 L HN 0.214 8.433 8.230 0.148 0.100 0.446 302 G N -1.607 107.446 108.800 0.423 0.000 2.402 302 G HA2 -0.416 nan 3.960 nan 0.000 0.216 302 G HA3 -0.416 nan 3.960 nan 0.000 0.216 302 G C 0.743 175.809 174.900 0.276 0.000 1.162 302 G CA 2.491 47.961 45.100 0.617 0.000 0.777 302 G HN -0.054 8.357 8.290 0.375 0.104 0.539 303 D N 0.873 121.345 120.400 0.121 0.000 2.097 303 D HA -0.325 nan 4.640 nan 0.000 0.195 303 D C 2.135 178.419 176.300 -0.026 0.000 0.989 303 D CA 2.820 56.823 54.000 0.006 0.000 0.827 303 D CB -0.719 40.093 40.800 0.020 0.000 0.966 303 D HN 0.164 8.619 8.370 0.143 0.000 0.456 304 I N -0.321 120.233 120.570 -0.027 0.000 2.127 304 I HA -0.403 nan 4.170 nan 0.000 0.241 304 I C 1.650 177.758 176.117 -0.015 0.000 1.075 304 I CA 3.418 64.679 61.300 -0.065 0.000 1.334 304 I CB 0.082 37.935 38.000 -0.244 0.000 1.040 304 I HN -0.932 7.265 8.210 -0.022 0.000 0.405 305 I N -2.012 118.564 120.570 0.010 0.000 2.394 305 I HA -0.360 nan 4.170 nan 0.000 0.251 305 I C 1.161 177.363 176.117 0.141 0.000 1.136 305 I CA 1.822 63.164 61.300 0.070 0.000 1.425 305 I CB -0.229 37.770 38.000 -0.002 0.000 1.079 305 I HN -0.157 8.056 8.210 0.004 0.000 0.425 306 E N -0.137 120.071 120.200 0.014 0.000 2.023 306 E HA -0.285 nan 4.350 nan 0.000 0.196 306 E C -0.037 176.594 176.600 0.051 0.000 1.003 306 E CA 3.369 59.691 56.400 -0.131 0.000 0.809 306 E CB 0.144 29.429 29.700 -0.692 0.000 0.755 306 E HN -0.426 7.888 8.360 -0.037 0.024 0.449 307 S N -3.711 111.981 115.700 -0.013 0.000 2.687 307 S HA 0.317 nan 4.470 nan 0.000 0.283 307 S C -0.254 174.317 174.600 -0.048 0.000 1.170 307 S CA -0.498 57.681 58.200 -0.034 0.000 1.008 307 S CB 1.772 64.966 63.200 -0.010 0.000 1.026 307 S HN -0.502 7.792 8.310 -0.027 0.000 0.541 308 S N 0.357 116.034 115.700 -0.038 0.000 2.738 308 S HA 0.230 nan 4.470 nan 0.000 0.284 308 S C 1.454 176.064 174.600 0.017 0.000 1.146 308 S CA -0.321 57.875 58.200 -0.008 0.000 0.997 308 S CB 1.818 65.018 63.200 0.000 0.000 1.081 308 S HN 0.413 8.607 8.310 -0.037 0.093 0.553 309 D N 3.421 123.837 120.400 0.027 0.000 2.149 309 D HA -0.209 nan 4.640 nan 0.000 0.198 309 D C 1.027 177.340 176.300 0.023 0.000 0.990 309 D CA 3.147 57.160 54.000 0.022 0.000 0.839 309 D CB -0.082 40.718 40.800 -0.000 0.000 0.948 309 D HN 0.550 8.939 8.370 0.032 0.000 0.460 310 E N -2.123 118.096 120.200 0.031 0.000 2.510 310 E HA -0.180 nan 4.350 nan 0.000 0.202 310 E C -0.393 176.219 176.600 0.021 0.000 1.072 310 E CA 0.804 57.222 56.400 0.031 0.000 0.883 310 E CB -0.371 29.358 29.700 0.048 0.000 0.818 310 E HN 0.173 8.559 8.360 0.043 0.000 0.548 311 S N 0.090 115.801 115.700 0.019 0.000 2.429 311 S HA -0.110 nan 4.470 nan 0.000 0.292 311 S C -0.284 174.342 174.600 0.042 0.000 1.183 311 S CA -0.029 58.182 58.200 0.019 0.000 1.088 311 S CB -0.071 63.146 63.200 0.028 0.000 1.018 311 S HN -0.614 7.499 8.310 0.021 0.210 0.511 312 K N 3.866 124.280 120.400 0.023 0.000 2.113 312 K HA -0.317 nan 4.320 nan 0.000 0.208 312 K C -0.559 176.103 176.600 0.102 0.000 1.047 312 K CA 2.381 58.691 56.287 0.038 0.000 0.928 312 K CB 0.238 32.738 32.500 0.001 0.000 0.716 312 K HN -0.092 8.154 8.250 -0.008 0.000 0.446 313 N N -4.568 114.251 118.700 0.198 0.000 2.249 313 N HA 0.165 nan 4.740 nan 0.000 0.296 313 N C -0.233 175.447 175.510 0.283 0.000 1.051 313 N CA -1.067 52.154 53.050 0.284 0.000 0.815 313 N CB 2.278 40.995 38.487 0.383 0.000 1.487 313 N HN -0.463 8.023 8.380 0.176 0.000 0.475 314 V N -1.202 118.811 119.914 0.165 0.000 2.672 314 V HA 0.290 nan 4.120 nan 0.000 0.242 314 V C 1.179 177.306 176.094 0.054 0.000 1.059 314 V CA 1.801 64.157 62.300 0.095 0.000 1.081 314 V CB 0.581 32.453 31.823 0.082 0.000 0.752 314 V HN 0.437 8.717 8.190 0.151 0.000 0.472 315 E N 1.353 121.613 120.200 0.100 0.000 2.112 315 E HA -0.340 nan 4.350 nan 0.000 0.190 315 E C 1.560 178.226 176.600 0.110 0.000 0.979 315 E CA 2.590 59.058 56.400 0.113 0.000 0.814 315 E CB -0.258 29.509 29.700 0.113 0.000 0.762 315 E HN -0.105 8.549 8.360 0.126 -0.218 0.460 316 Y N 1.276 121.553 120.300 -0.039 0.000 2.109 316 Y HA -0.404 nan 4.550 nan 0.000 0.285 316 Y C 2.422 178.116 175.900 -0.343 0.000 1.131 316 Y CA 4.546 62.520 58.100 -0.211 0.000 1.121 316 Y CB 0.618 38.838 38.460 -0.400 0.000 0.987 316 Y HN -0.353 8.327 8.280 0.172 -0.297 0.495 317 Y N -4.228 116.166 120.300 0.157 0.000 2.500 317 Y HA -0.092 nan 4.550 nan 0.000 0.270 317 Y C -0.037 175.547 175.900 -0.526 0.000 1.134 317 Y CA 1.213 59.305 58.100 -0.013 0.000 1.293 317 Y CB 0.247 38.733 38.460 0.043 0.000 1.063 317 Y HN -0.670 7.681 8.280 0.119 0.000 0.534 318 G N -0.768 107.527 108.800 -0.841 0.000 2.553 318 G HA2 -0.413 nan 3.960 nan 0.000 0.242 318 G HA3 -0.413 nan 3.960 nan 0.000 0.242 318 G C -1.624 172.957 174.900 -0.533 0.000 1.277 318 G CA 0.020 44.168 45.100 -1.587 0.000 0.910 318 G HN -0.400 7.535 8.290 -0.419 0.103 0.576 319 S N 0.602 116.122 115.700 -0.301 0.000 2.327 319 S HA 0.165 nan 4.470 nan 0.000 0.203 319 S C 0.435 175.146 174.600 0.184 0.000 1.326 319 S CA -1.199 57.003 58.200 0.003 0.000 1.248 319 S CB 0.422 63.560 63.200 -0.104 0.000 1.199 319 S HN -0.040 8.021 8.310 -0.415 0.000 0.422 320 L N 6.272 127.626 121.223 0.218 0.000 2.081 320 L HA -0.420 nan 4.340 nan 0.000 0.212 320 L C 0.354 177.607 176.870 0.638 0.000 1.080 320 L CA 3.287 58.438 54.840 0.518 0.000 0.754 320 L CB -0.340 42.014 42.059 0.492 0.000 0.893 320 L HN -0.137 8.164 8.230 0.119 0.000 0.433 321 H N -0.389 118.944 119.070 0.438 0.000 2.253 321 H HA -0.440 nan 4.556 nan 0.000 0.296 321 H C 2.048 177.464 175.328 0.147 0.000 1.074 321 H CA 4.522 60.858 56.048 0.479 0.000 1.263 321 H CB -0.213 29.789 29.762 0.399 0.000 1.363 321 H HN -0.001 8.544 8.280 0.473 0.018 0.489 322 N N -0.257 118.181 118.700 -0.435 0.000 2.084 322 N HA -0.339 nan 4.740 nan 0.000 0.190 322 N C 2.176 177.271 175.510 -0.692 0.000 1.030 322 N CA 2.663 55.218 53.050 -0.824 0.000 0.849 322 N CB -0.638 37.589 38.487 -0.433 0.000 1.012 322 N HN -0.409 7.968 8.380 -0.005 0.000 0.423 323 W N -0.913 120.275 121.300 -0.186 0.000 2.335 323 W HA -0.304 nan 4.660 nan 0.000 0.311 323 W C 1.891 178.288 176.519 -0.203 0.000 1.213 323 W CA 3.050 60.364 57.345 -0.051 0.000 1.274 323 W CB -0.094 29.503 29.460 0.228 0.000 1.148 323 W HN 0.350 8.491 8.180 -0.066 0.000 0.498 324 G N -3.361 105.323 108.800 -0.193 0.000 2.469 324 G HA2 -0.462 nan 3.960 nan 0.000 0.220 324 G HA3 -0.462 nan 3.960 nan 0.000 0.220 324 G C 1.147 175.505 174.900 -0.904 0.000 1.136 324 G CA 2.164 46.697 45.100 -0.945 0.000 0.759 324 G HN 0.196 8.505 8.290 0.032 0.000 0.562 325 H N 1.603 120.109 119.070 -0.939 0.000 2.353 325 H HA -0.298 nan 4.556 nan 0.000 0.300 325 H C 2.397 177.494 175.328 -0.385 0.000 1.090 325 H CA 3.602 59.195 56.048 -0.758 0.000 1.327 325 H CB 0.243 29.268 29.762 -1.227 0.000 1.383 325 H HN -0.527 7.192 8.280 -0.717 0.130 0.508 326 V N -1.447 118.400 119.914 -0.112 0.000 2.220 326 V HA -0.490 nan 4.120 nan 0.000 0.246 326 V C 2.057 178.179 176.094 0.048 0.000 1.049 326 V CA 3.805 66.164 62.300 0.099 0.000 1.003 326 V CB -0.860 31.103 31.823 0.232 0.000 0.634 326 V HN -0.407 7.570 8.190 -0.205 0.090 0.444 327 M N -2.606 117.019 119.600 0.042 0.000 2.144 327 M HA -0.418 nan 4.480 nan 0.000 0.260 327 M C 2.201 178.482 176.300 -0.031 0.000 1.067 327 M CA 3.506 58.831 55.300 0.041 0.000 1.095 327 M CB -0.279 32.372 32.600 0.086 0.000 1.365 327 M HN -0.768 7.571 8.290 0.083 0.000 0.406 328 M N -3.145 116.349 119.600 -0.175 0.000 2.562 328 M HA -0.109 nan 4.480 nan 0.000 0.257 328 M C 0.709 176.943 176.300 -0.109 0.000 1.099 328 M CA 2.378 57.553 55.300 -0.209 0.000 1.099 328 M CB 0.325 32.677 32.600 -0.412 0.000 1.427 328 M HN -0.053 8.076 8.290 -0.269 0.000 0.489 329 A N -1.546 121.240 122.820 -0.057 0.000 2.070 329 A HA 0.121 nan 4.320 nan 0.000 0.202 329 A C 0.213 177.811 177.584 0.024 0.000 1.277 329 A CA 1.890 53.929 52.037 0.003 0.000 0.872 329 A CB 0.834 19.867 19.000 0.055 0.000 0.933 329 A HN 0.118 8.053 8.150 -0.053 0.183 0.475 330 N N -1.298 117.416 118.700 0.024 0.000 2.346 330 N HA -0.060 nan 4.740 nan 0.000 0.225 330 N C 1.404 176.931 175.510 0.027 0.000 1.144 330 N CA -0.395 52.669 53.050 0.024 0.000 0.837 330 N CB -0.963 37.533 38.487 0.015 0.000 1.069 330 N HN 0.286 8.683 8.380 0.028 0.000 0.487 331 I N -1.476 119.105 120.570 0.018 0.000 2.850 331 I HA -0.239 nan 4.170 nan 0.000 0.266 331 I C 0.268 176.346 176.117 -0.066 0.000 1.257 331 I CA 1.697 63.012 61.300 0.026 0.000 1.465 331 I CB -0.134 37.882 38.000 0.026 0.000 1.091 331 I HN -0.174 7.917 8.210 0.010 0.126 0.467 332 T N -0.452 114.053 114.554 -0.082 0.000 3.009 332 T HA -0.055 nan 4.350 nan 0.000 0.258 332 T C -0.996 173.682 174.700 -0.038 0.000 1.063 332 T CA 1.260 63.287 62.100 -0.121 0.000 1.139 332 T CB 0.673 69.493 68.868 -0.080 0.000 0.890 332 T HN 0.025 8.184 8.240 -0.040 0.057 0.471 333 D N -1.372 119.035 120.400 0.011 0.000 3.117 333 D HA 0.420 nan 4.640 nan 0.000 0.241 333 D C -2.183 174.179 176.300 0.103 0.000 1.385 333 D CA -1.402 52.644 54.000 0.078 0.000 0.855 333 D CB 0.746 41.644 40.800 0.165 0.000 1.498 333 D HN -0.289 7.902 8.370 0.003 0.181 0.584 334 P HA -0.139 nan 4.420 nan 0.000 0.215 334 P C 0.835 178.196 177.300 0.103 0.000 1.157 334 P CA 1.773 64.923 63.100 0.083 0.000 0.856 334 P CB 0.123 31.880 31.700 0.095 0.000 0.786 335 D N -1.723 118.719 120.400 0.071 0.000 2.190 335 D HA -0.264 nan 4.640 nan 0.000 0.200 335 D C 0.515 176.856 176.300 0.068 0.000 0.992 335 D CA 1.943 55.969 54.000 0.044 0.000 0.854 335 D CB -0.214 40.578 40.800 -0.012 0.000 0.936 335 D HN 0.286 8.684 8.370 0.047 0.000 0.462 336 H N -2.999 116.032 119.070 -0.065 0.000 3.257 336 H HA -0.308 nan 4.556 nan 0.000 0.222 336 H C 0.969 176.219 175.328 -0.129 0.000 1.143 336 H CA 1.103 57.111 56.048 -0.067 0.000 1.152 336 H CB -1.107 28.632 29.762 -0.038 0.000 1.188 336 H HN -0.375 8.133 8.280 0.097 -0.170 0.315 337 R N -2.212 118.096 120.500 -0.321 0.000 2.103 337 R HA -0.247 nan 4.340 nan 0.000 0.242 337 R C 0.489 176.428 176.300 -0.601 0.000 1.142 337 R CA 2.678 58.450 56.100 -0.546 0.000 0.960 337 R CB -0.709 29.105 30.300 -0.811 0.000 0.858 337 R HN -0.013 8.145 8.270 -0.236 -0.030 0.439 338 F N -3.546 116.309 119.950 -0.158 0.000 2.664 338 F HA 0.192 nan 4.527 nan 0.000 0.303 338 F C -0.978 174.709 175.800 -0.190 0.000 1.092 338 F CA -1.572 56.345 58.000 -0.138 0.000 1.305 338 F CB -0.208 38.747 39.000 -0.075 0.000 1.054 338 F HN -0.764 7.307 8.300 -0.349 0.019 0.565 339 Q N -4.588 115.036 119.800 -0.295 0.000 2.416 339 Q HA -0.373 nan 4.340 nan 0.000 0.235 339 Q C -0.251 175.712 176.000 -0.062 0.000 0.773 339 Q CA 1.236 56.832 55.803 -0.345 0.000 1.286 339 Q CB -1.514 27.117 28.738 -0.178 0.000 1.556 339 Q HN -0.469 7.576 8.270 -0.529 -0.092 0.650 340 E N -0.415 119.807 120.200 0.037 0.000 2.414 340 E HA -0.148 nan 4.350 nan 0.000 0.263 340 E C -0.557 176.126 176.600 0.138 0.000 1.000 340 E CA 0.548 56.999 56.400 0.085 0.000 0.914 340 E CB 0.569 30.318 29.700 0.081 0.000 0.948 340 E HN -0.191 8.117 8.360 0.027 0.068 0.444 341 N N 5.628 124.346 118.700 0.029 0.000 2.438 341 N HA 0.173 nan 4.740 nan 0.000 0.267 341 N C -2.015 173.490 175.510 -0.009 0.000 1.222 341 N CA -1.464 51.557 53.050 -0.049 0.000 0.930 341 N CB -0.729 37.624 38.487 -0.224 0.000 1.083 341 N HN 0.233 8.612 8.380 -0.002 0.000 0.476 342 P HA -0.079 nan 4.420 nan 0.000 0.271 342 P C -0.214 177.190 177.300 0.173 0.000 1.238 342 P CA -0.226 62.917 63.100 0.072 0.000 0.794 342 P CB 0.704 32.425 31.700 0.034 0.000 0.959 343 G N -1.245 107.634 108.800 0.132 0.000 2.432 343 G HA2 -0.039 nan 3.960 nan 0.000 0.239 343 G HA3 -0.039 nan 3.960 nan 0.000 0.239 343 G C 1.369 176.362 174.900 0.156 0.000 1.291 343 G CA -0.656 44.527 45.100 0.139 0.000 0.863 343 G HN 0.021 8.359 8.290 0.081 0.000 0.560 344 V N -1.760 118.202 119.914 0.081 0.000 3.099 344 V HA -0.455 nan 4.120 nan 0.000 0.269 344 V C 1.116 177.220 176.094 0.018 0.000 1.150 344 V CA 1.958 64.225 62.300 -0.056 0.000 1.165 344 V CB -0.749 30.938 31.823 -0.227 0.000 0.756 344 V HN 0.555 8.787 8.190 0.070 0.000 0.527 345 M N 0.152 119.802 119.600 0.083 0.000 2.562 345 M HA -0.175 nan 4.480 nan 0.000 0.257 345 M C 1.594 178.141 176.300 0.411 0.000 1.099 345 M CA 0.901 56.311 55.300 0.183 0.000 1.099 345 M CB -1.029 31.579 32.600 0.014 0.000 1.427 345 M HN -0.347 7.883 8.290 0.073 0.104 0.489 346 S N -0.441 115.444 115.700 0.308 0.000 2.481 346 S HA -0.252 nan 4.470 nan 0.000 0.231 346 S C -0.704 173.981 174.600 0.141 0.000 0.996 346 S CA 2.189 60.575 58.200 0.310 0.000 0.942 346 S CB 0.106 63.376 63.200 0.116 0.000 0.768 346 S HN -0.368 8.019 8.310 0.212 0.051 0.520 347 D N -1.963 118.562 120.400 0.208 0.000 2.490 347 D HA 0.180 nan 4.640 nan 0.000 0.232 347 D C -0.509 175.978 176.300 0.311 0.000 1.053 347 D CA -0.920 53.191 54.000 0.184 0.000 0.914 347 D CB 2.558 43.474 40.800 0.195 0.000 1.431 347 D HN -0.980 7.476 8.370 0.242 0.059 0.483 348 T N 1.103 115.900 114.554 0.405 0.000 3.014 348 T HA 0.119 nan 4.350 nan 0.000 0.263 348 T C 1.577 176.587 174.700 0.516 0.000 1.078 348 T CA 2.669 65.111 62.100 0.570 0.000 1.135 348 T CB -0.395 68.792 68.868 0.532 0.000 0.895 348 T HN 0.534 9.018 8.240 0.407 0.000 0.480 349 S N 0.983 116.925 115.700 0.403 0.000 2.406 349 S HA -0.133 nan 4.470 nan 0.000 0.228 349 S C 1.290 175.729 174.600 -0.268 0.000 1.020 349 S CA 3.127 61.380 58.200 0.088 0.000 0.965 349 S CB -0.066 63.121 63.200 -0.021 0.000 0.798 349 S HN -0.367 8.669 8.310 0.518 -0.414 0.488 350 T N -1.592 112.825 114.554 -0.229 0.000 2.939 350 T HA 0.224 nan 4.350 nan 0.000 0.254 350 T C 2.209 176.685 174.700 -0.374 0.000 1.041 350 T CA 2.328 64.209 62.100 -0.365 0.000 1.142 350 T CB 0.047 68.677 68.868 -0.397 0.000 0.874 350 T HN -0.370 8.085 8.240 -0.078 -0.261 0.452 351 S N 4.158 119.684 115.700 -0.290 0.000 2.575 351 S HA -0.480 nan 4.470 nan 0.000 0.304 351 S C 1.477 175.463 174.600 -1.023 0.000 1.237 351 S CA 3.164 61.092 58.200 -0.455 0.000 1.122 351 S CB -1.260 61.842 63.200 -0.164 0.000 1.073 351 S HN -0.016 8.220 8.310 -0.122 0.000 0.450 352 L N -0.086 120.478 121.223 -1.098 0.000 2.567 352 L HA 0.104 nan 4.340 nan 0.000 0.225 352 L C 1.353 177.868 176.870 -0.592 0.000 1.119 352 L CA 1.149 55.248 54.840 -1.236 0.000 0.871 352 L CB -0.265 41.220 42.059 -0.957 0.000 1.036 352 L HN -0.692 7.009 8.230 -0.802 0.048 0.459 353 R N -0.367 119.865 120.500 -0.447 0.000 2.062 353 R HA -0.240 nan 4.340 nan 0.000 0.229 353 R C 0.044 176.001 176.300 -0.570 0.000 1.128 353 R CA 2.398 58.318 56.100 -0.299 0.000 0.960 353 R CB -0.505 29.747 30.300 -0.080 0.000 0.855 353 R HN -0.731 7.206 8.270 -0.475 0.047 0.432 354 D N 1.131 121.163 120.400 -0.612 0.000 2.382 354 D HA 0.208 nan 4.640 nan 0.000 0.259 354 D C -0.771 175.318 176.300 -0.351 0.000 1.224 354 D CA -2.566 51.012 54.000 -0.702 0.000 0.894 354 D CB 0.336 40.983 40.800 -0.255 0.000 1.127 354 D HN -0.562 7.547 8.370 -0.435 0.000 0.487 355 P HA -0.187 nan 4.420 nan 0.000 0.217 355 P C 0.782 178.159 177.300 0.129 0.000 1.148 355 P CA 2.207 65.326 63.100 0.033 0.000 0.828 355 P CB -0.014 31.708 31.700 0.037 0.000 0.783 356 I N -5.307 115.283 120.570 0.034 0.000 2.567 356 I HA -0.406 nan 4.170 nan 0.000 0.257 356 I C 1.008 177.118 176.117 -0.012 0.000 1.184 356 I CA 2.322 63.639 61.300 0.028 0.000 1.451 356 I CB -0.745 37.235 38.000 -0.034 0.000 1.089 356 I HN -0.859 7.317 8.210 -0.020 0.022 0.441 357 F N 2.233 122.005 119.950 -0.298 0.000 2.085 357 F HA -0.593 nan 4.527 nan 0.000 0.299 357 F C 0.645 176.072 175.800 -0.622 0.000 1.096 357 F CA 4.573 62.231 58.000 -0.571 0.000 1.227 357 F CB 0.038 38.501 39.000 -0.895 0.000 0.983 357 F HN -0.364 7.796 8.300 -0.019 0.129 0.482 358 Y N -5.271 114.924 120.300 -0.174 0.000 2.395 358 Y HA -0.343 nan 4.550 nan 0.000 0.293 358 Y C 1.889 177.807 175.900 0.030 0.000 1.123 358 Y CA 3.038 61.043 58.100 -0.159 0.000 1.227 358 Y CB -0.627 37.743 38.460 -0.149 0.000 1.012 358 Y HN -0.690 7.510 8.280 -0.109 0.015 0.552 359 R N 0.837 121.455 120.500 0.197 0.000 2.073 359 R HA -0.394 nan 4.340 nan 0.000 0.234 359 R C 2.178 178.627 176.300 0.249 0.000 1.134 359 R CA 3.644 59.878 56.100 0.223 0.000 0.952 359 R CB -0.389 30.040 30.300 0.214 0.000 0.850 359 R HN -0.344 7.866 8.270 0.154 0.153 0.433 360 W N -1.575 119.757 121.300 0.053 0.000 2.425 360 W HA -0.203 nan 4.660 nan 0.000 0.277 360 W C 0.769 177.445 176.519 0.261 0.000 1.231 360 W CA 3.638 61.068 57.345 0.143 0.000 1.248 360 W CB 0.218 29.654 29.460 -0.040 0.000 1.117 360 W HN -0.264 8.057 8.180 0.236 0.000 0.568 361 H N -1.764 117.300 119.070 -0.010 0.000 2.525 361 H HA 0.040 nan 4.556 nan 0.000 0.275 361 H C 2.888 178.236 175.328 0.034 0.000 0.984 361 H CA 2.845 58.870 56.048 -0.039 0.000 1.264 361 H CB 0.098 29.740 29.762 -0.200 0.000 1.432 361 H HN -0.582 7.687 8.280 0.301 0.191 0.549 362 R N -0.016 120.606 120.500 0.204 0.000 2.119 362 R HA -0.185 nan 4.340 nan 0.000 0.222 362 R C 1.684 178.060 176.300 0.127 0.000 1.088 362 R CA 1.853 58.056 56.100 0.171 0.000 0.984 362 R CB -0.879 29.531 30.300 0.184 0.000 0.884 362 R HN 0.265 8.671 8.270 0.226 0.000 0.447 363 F N 1.894 121.771 119.950 -0.122 0.000 2.051 363 F HA -0.297 nan 4.527 nan 0.000 0.296 363 F C 1.580 177.204 175.800 -0.293 0.000 1.122 363 F CA 2.739 60.572 58.000 -0.278 0.000 1.201 363 F CB -0.190 38.472 39.000 -0.564 0.000 0.978 363 F HN -0.794 7.466 8.300 0.154 0.133 0.472 364 I N -4.733 115.537 120.570 -0.500 0.000 2.208 364 I HA -0.614 nan 4.170 nan 0.000 0.245 364 I C 1.316 177.365 176.117 -0.114 0.000 1.097 364 I CA 3.696 64.735 61.300 -0.435 0.000 1.363 364 I CB -0.737 37.156 38.000 -0.177 0.000 1.051 364 I HN -0.078 7.863 8.210 -0.447 0.000 0.413 365 D N 0.201 120.667 120.400 0.110 0.000 2.149 365 D HA -0.381 nan 4.640 nan 0.000 0.198 365 D C 2.064 178.443 176.300 0.132 0.000 0.990 365 D CA 3.710 57.888 54.000 0.296 0.000 0.839 365 D CB -0.146 40.806 40.800 0.253 0.000 0.948 365 D HN -0.429 7.974 8.370 0.055 0.000 0.460 366 N N -0.952 117.745 118.700 -0.005 0.000 2.166 366 N HA -0.250 nan 4.740 nan 0.000 0.186 366 N C 2.597 178.021 175.510 -0.143 0.000 1.019 366 N CA 3.180 56.208 53.050 -0.036 0.000 0.856 366 N CB -0.118 38.380 38.487 0.017 0.000 0.993 366 N HN 0.060 8.189 8.380 -0.037 0.229 0.426 367 I N 0.350 120.730 120.570 -0.315 0.000 2.163 367 I HA -0.521 nan 4.170 nan 0.000 0.240 367 I C 1.642 177.553 176.117 -0.343 0.000 1.081 367 I CA 4.219 65.279 61.300 -0.400 0.000 1.353 367 I CB -0.166 37.467 38.000 -0.612 0.000 1.054 367 I HN -0.572 7.289 8.210 -0.399 0.109 0.407 368 F N -1.253 118.533 119.950 -0.272 0.000 2.161 368 F HA -0.456 nan 4.527 nan 0.000 0.300 368 F C 2.289 177.842 175.800 -0.411 0.000 1.089 368 F CA 4.071 61.821 58.000 -0.416 0.000 1.282 368 F CB -0.983 37.575 39.000 -0.737 0.000 1.010 368 F HN -0.360 7.745 8.300 -0.326 0.000 0.485 369 Q N -2.256 117.497 119.800 -0.078 0.000 2.124 369 Q HA -0.357 nan 4.340 nan 0.000 0.202 369 Q C 2.879 178.806 176.000 -0.121 0.000 0.977 369 Q CA 3.191 58.953 55.803 -0.069 0.000 0.850 369 Q CB -0.829 27.914 28.738 0.007 0.000 0.901 369 Q HN 0.632 8.774 8.270 -0.010 0.122 0.429 370 E N -0.025 120.094 120.200 -0.135 0.000 2.110 370 E HA -0.391 nan 4.350 nan 0.000 0.193 370 E C 2.315 178.787 176.600 -0.214 0.000 0.988 370 E CA 3.027 59.335 56.400 -0.154 0.000 0.804 370 E CB -0.293 29.318 29.700 -0.149 0.000 0.745 370 E HN -0.169 8.019 8.360 -0.134 0.092 0.458 371 H N 0.539 119.384 119.070 -0.375 0.000 2.357 371 H HA -0.167 nan 4.556 nan 0.000 0.301 371 H C 2.431 177.184 175.328 -0.958 0.000 1.082 371 H CA 2.732 58.442 56.048 -0.563 0.000 1.342 371 H CB 0.057 29.564 29.762 -0.426 0.000 1.389 371 H HN -0.537 7.544 8.280 -0.153 0.108 0.511 372 K N -1.988 118.001 120.400 -0.685 0.000 2.097 372 K HA -0.314 nan 4.320 nan 0.000 0.206 372 K C 2.529 178.905 176.600 -0.374 0.000 1.049 372 K CA 2.071 58.054 56.287 -0.506 0.000 0.933 372 K CB -0.532 31.880 32.500 -0.147 0.000 0.717 372 K HN -0.074 7.935 8.250 -0.401 0.000 0.442 373 K N -1.697 118.531 120.400 -0.287 0.000 2.097 373 K HA -0.184 nan 4.320 nan 0.000 0.206 373 K C 2.326 178.796 176.600 -0.217 0.000 1.049 373 K CA 2.439 58.610 56.287 -0.192 0.000 0.933 373 K CB 0.203 32.621 32.500 -0.135 0.000 0.717 373 K HN -0.102 7.798 8.250 -0.270 0.188 0.442 374 S N -2.143 113.390 115.700 -0.279 0.000 2.453 374 S HA -0.140 nan 4.470 nan 0.000 0.231 374 S C 0.603 175.091 174.600 -0.186 0.000 1.005 374 S CA 1.978 60.074 58.200 -0.172 0.000 0.949 374 S CB 0.406 63.618 63.200 0.022 0.000 0.774 374 S HN -0.364 7.743 8.310 -0.338 0.000 0.510 375 F N 2.765 122.587 119.950 -0.212 0.000 2.496 375 F HA -0.020 nan 4.527 nan 0.000 0.344 375 F C -0.020 175.577 175.800 -0.338 0.000 1.155 375 F CA -0.134 57.716 58.000 -0.250 0.000 1.302 375 F CB -0.074 38.807 39.000 -0.198 0.000 1.159 375 F HN -0.817 7.076 8.300 -0.677 0.000 0.595 376 H N 1.139 120.250 119.070 0.069 0.000 2.511 376 H HA 0.147 nan 4.556 nan 0.000 0.346 376 H C -1.432 173.796 175.328 -0.166 0.000 1.128 376 H CA -0.994 55.033 56.048 -0.036 0.000 1.342 376 H CB -0.069 29.675 29.762 -0.030 0.000 1.470 376 H HN 0.239 8.629 8.280 0.184 0.000 0.546 377 P HA -0.166 nan 4.420 nan 0.000 0.271 377 P C -1.227 175.970 177.300 -0.171 0.000 1.228 377 P CA 0.675 63.709 63.100 -0.109 0.000 0.797 377 P CB 0.425 32.147 31.700 0.038 0.000 0.914 378 Y N -0.599 119.783 120.300 0.137 0.000 2.327 378 Y HA -0.018 nan 4.550 nan 0.000 0.336 378 Y C 0.300 176.229 175.900 0.047 0.000 1.035 378 Y CA 0.357 58.511 58.100 0.089 0.000 1.165 378 Y CB 0.343 38.830 38.460 0.046 0.000 1.181 378 Y HN 0.239 8.615 8.280 0.160 0.000 0.494 379 T N 4.906 119.590 114.554 0.217 0.000 2.932 379 T HA 0.050 nan 4.350 nan 0.000 0.312 379 T C 1.088 175.824 174.700 0.060 0.000 1.071 379 T CA -0.030 62.136 62.100 0.109 0.000 1.128 379 T CB 0.538 69.456 68.868 0.082 0.000 0.984 379 T HN 0.320 8.708 8.240 0.247 0.000 0.549 380 K N 3.624 124.032 120.400 0.012 0.000 2.103 380 K HA -0.460 nan 4.320 nan 0.000 0.207 380 K C 2.108 178.693 176.600 -0.024 0.000 1.048 380 K CA 3.527 59.791 56.287 -0.037 0.000 0.930 380 K CB -0.033 32.451 32.500 -0.027 0.000 0.716 380 K HN 0.369 8.634 8.250 0.025 0.000 0.444 381 E N -0.621 119.582 120.200 0.005 0.000 2.035 381 E HA -0.302 nan 4.350 nan 0.000 0.204 381 E C 2.383 178.994 176.600 0.018 0.000 1.025 381 E CA 3.242 59.650 56.400 0.013 0.000 0.835 381 E CB -0.381 29.331 29.700 0.021 0.000 0.764 381 E HN -0.086 8.279 8.360 0.012 0.002 0.457 382 E N -1.401 118.823 120.200 0.039 0.000 2.085 382 E HA -0.265 nan 4.350 nan 0.000 0.194 382 E C 1.110 177.713 176.600 0.006 0.000 0.994 382 E CA 2.255 58.685 56.400 0.050 0.000 0.801 382 E CB -0.748 29.041 29.700 0.148 0.000 0.743 382 E HN 0.134 8.527 8.360 0.055 0.000 0.453 383 L N -4.518 116.668 121.223 -0.062 0.000 2.465 383 L HA -0.088 nan 4.340 nan 0.000 0.224 383 L C 0.055 176.869 176.870 -0.094 0.000 1.145 383 L CA 0.972 55.707 54.840 -0.176 0.000 0.834 383 L CB 0.241 42.097 42.059 -0.338 0.000 0.944 383 L HN -0.409 7.703 8.230 -0.039 0.095 0.451 384 S N -1.168 114.520 115.700 -0.019 0.000 2.420 384 S HA 0.104 nan 4.470 nan 0.000 0.313 384 S C -1.267 173.415 174.600 0.136 0.000 1.079 384 S CA -0.690 57.533 58.200 0.039 0.000 1.104 384 S CB 0.416 63.624 63.200 0.014 0.000 0.969 384 S HN -0.475 7.644 8.310 -0.014 0.183 0.471 385 F N 8.411 128.345 119.950 -0.028 0.000 2.487 385 F HA 0.184 nan 4.527 nan 0.000 0.364 385 F C -2.047 173.748 175.800 -0.008 0.000 1.126 385 F CA -3.346 54.647 58.000 -0.011 0.000 1.135 385 F CB 0.245 39.244 39.000 -0.001 0.000 1.127 385 F HN 0.184 8.919 8.300 0.241 -0.290 0.559 386 P HA 0.026 nan 4.420 nan 0.000 0.267 386 P C -0.430 176.740 177.300 -0.216 0.000 1.205 386 P CA 0.458 63.511 63.100 -0.078 0.000 0.765 386 P CB 0.122 31.799 31.700 -0.037 0.000 0.828 387 G N 2.193 110.899 108.800 -0.156 0.000 2.336 387 G HA2 -0.369 nan 3.960 nan 0.000 0.233 387 G HA3 -0.369 nan 3.960 nan 0.000 0.233 387 G C -1.045 173.743 174.900 -0.186 0.000 1.053 387 G CA 0.388 45.391 45.100 -0.162 0.000 0.625 387 G HN 0.367 8.597 8.290 -0.100 0.000 0.511 388 V N 2.879 122.616 119.914 -0.294 0.000 2.455 388 V HA 0.006 nan 4.120 nan 0.000 0.273 388 V C -1.057 174.994 176.094 -0.072 0.000 1.045 388 V CA -0.151 62.018 62.300 -0.218 0.000 0.976 388 V CB -0.214 31.372 31.823 -0.395 0.000 0.993 388 V HN -0.715 7.146 8.190 -0.418 0.079 0.475 389 E N 8.045 128.229 120.200 -0.027 0.000 2.129 389 E HA 0.250 nan 4.350 nan 0.000 0.268 389 E C -0.252 176.371 176.600 0.038 0.000 0.900 389 E CA -1.699 54.707 56.400 0.010 0.000 0.755 389 E CB 2.800 32.502 29.700 0.003 0.000 1.117 389 E HN 0.232 8.443 8.360 -0.034 0.129 0.410 390 V N 9.061 129.013 119.914 0.063 0.000 2.415 390 V HA -0.166 nan 4.120 nan 0.000 0.252 390 V C 0.065 176.196 176.094 0.062 0.000 1.043 390 V CA 1.705 64.051 62.300 0.076 0.000 1.149 390 V CB -1.860 30.025 31.823 0.102 0.000 1.143 390 V HN 0.749 8.980 8.190 0.069 0.000 0.478 391 V N 7.440 127.386 119.914 0.053 0.000 3.305 391 V HA -0.050 nan 4.120 nan 0.000 0.269 391 V C 0.312 176.436 176.094 0.050 0.000 1.157 391 V CA 0.608 62.934 62.300 0.044 0.000 1.157 391 V CB -0.397 31.448 31.823 0.036 0.000 0.772 391 V HN 0.542 8.669 8.190 0.054 0.096 0.498 392 G N -3.377 105.462 108.800 0.064 0.000 2.361 392 G HA2 -0.116 nan 3.960 nan 0.000 0.305 392 G HA3 -0.116 nan 3.960 nan 0.000 0.305 392 G C -3.096 171.860 174.900 0.093 0.000 1.367 392 G CA 0.164 45.307 45.100 0.072 0.000 0.951 392 G HN -0.703 7.602 8.290 0.071 0.028 0.615 393 V N -1.856 118.123 119.914 0.109 0.000 3.160 393 V HA 0.787 nan 4.120 nan 0.000 0.310 393 V C -1.194 174.974 176.094 0.123 0.000 1.181 393 V CA -2.092 60.295 62.300 0.145 0.000 1.047 393 V CB 3.506 35.457 31.823 0.214 0.000 1.068 393 V HN 0.243 8.491 8.190 0.096 0.000 0.441 394 S N -0.159 115.619 115.700 0.129 0.000 2.552 394 S HA 0.518 nan 4.470 nan 0.000 0.272 394 S C -2.235 172.418 174.600 0.088 0.000 1.150 394 S CA -0.025 58.234 58.200 0.097 0.000 0.849 394 S CB 3.865 67.103 63.200 0.065 0.000 1.113 394 S HN -0.192 8.206 8.310 0.147 0.000 0.458 395 I N -1.996 118.620 120.570 0.077 0.000 2.404 395 I HA 0.625 nan 4.170 nan 0.000 0.293 395 I C -2.051 174.102 176.117 0.060 0.000 0.992 395 I CA -2.051 59.291 61.300 0.070 0.000 1.149 395 I CB 1.679 39.775 38.000 0.160 0.000 1.315 395 I HN 0.675 9.275 8.210 0.073 -0.346 0.446 396 N N 7.795 126.525 118.700 0.049 0.000 2.558 396 N HA 0.362 nan 4.740 nan 0.000 0.242 396 N C -0.511 175.040 175.510 0.068 0.000 0.979 396 N CA -0.336 52.739 53.050 0.042 0.000 0.931 396 N CB 1.045 39.545 38.487 0.023 0.000 1.122 396 N HN -0.138 8.256 8.380 0.023 0.000 0.508 397 S N 6.192 121.928 115.700 0.060 0.000 3.320 397 S HA 0.109 nan 4.470 nan 0.000 0.185 397 S C 0.188 174.806 174.600 0.029 0.000 1.028 397 S CA 1.172 59.408 58.200 0.061 0.000 1.641 397 S CB 0.573 63.780 63.200 0.012 0.000 0.630 397 S HN 0.400 8.733 8.310 0.037 0.000 0.555 398 K N 1.669 122.073 120.400 0.006 0.000 2.148 398 K HA -0.128 nan 4.320 nan 0.000 0.204 398 K C -0.552 176.046 176.600 -0.003 0.000 1.050 398 K CA 1.699 57.983 56.287 -0.005 0.000 0.942 398 K CB 0.462 32.950 32.500 -0.021 0.000 0.724 398 K HN -0.195 8.466 8.250 -0.002 -0.412 0.446 399 T N -0.844 113.708 114.554 -0.003 0.000 2.831 399 T HA 0.225 nan 4.350 nan 0.000 0.287 399 T C -2.262 172.441 174.700 0.006 0.000 1.070 399 T CA -1.899 60.200 62.100 -0.001 0.000 1.010 399 T CB 3.298 72.162 68.868 -0.007 0.000 1.264 399 T HN -0.718 7.493 8.240 -0.005 0.026 0.532 400 A N -0.280 122.545 122.820 0.009 0.000 2.407 400 A HA 0.107 nan 4.320 nan 0.000 0.248 400 A C 0.140 177.731 177.584 0.012 0.000 1.082 400 A CA 0.463 52.509 52.037 0.015 0.000 0.785 400 A CB 0.019 19.030 19.000 0.018 0.000 1.020 400 A HN 0.111 8.265 8.150 0.007 0.000 0.489 401 N N -1.956 116.755 118.700 0.019 0.000 2.678 401 N HA -0.353 nan 4.740 nan 0.000 0.249 401 N C -1.258 174.251 175.510 -0.002 0.000 1.119 401 N CA 1.417 54.477 53.050 0.017 0.000 0.718 401 N CB -1.585 36.919 38.487 0.029 0.000 1.060 401 N HN 0.075 8.473 8.380 0.029 0.000 0.552 402 V N -9.441 110.459 119.914 -0.024 0.000 2.769 402 V HA 0.768 nan 4.120 nan 0.000 0.312 402 V C -2.318 173.713 176.094 -0.105 0.000 1.061 402 V CA -2.652 59.620 62.300 -0.048 0.000 0.931 402 V CB 3.614 35.417 31.823 -0.034 0.000 1.010 402 V HN -0.929 7.184 8.190 -0.019 0.066 0.433 403 I N 1.499 121.968 120.570 -0.169 0.000 2.693 403 I HA 0.444 nan 4.170 nan 0.000 0.303 403 I C -2.003 174.034 176.117 -0.133 0.000 1.025 403 I CA -2.111 59.054 61.300 -0.225 0.000 1.086 403 I CB 3.493 41.204 38.000 -0.482 0.000 1.268 403 I HN 0.561 8.571 8.210 -0.159 0.105 0.440 404 T N 7.447 121.949 114.554 -0.087 0.000 2.809 404 T HA 0.449 nan 4.350 nan 0.000 0.284 404 T C -1.246 173.448 174.700 -0.009 0.000 0.992 404 T CA -0.622 61.452 62.100 -0.043 0.000 0.957 404 T CB 1.578 70.418 68.868 -0.047 0.000 0.942 404 T HN 0.165 8.354 8.240 -0.084 0.000 0.439 405 T N 7.723 122.297 114.554 0.033 0.000 2.918 405 T HA 0.665 nan 4.350 nan 0.000 0.283 405 T C -1.763 172.970 174.700 0.056 0.000 1.001 405 T CA -1.939 60.226 62.100 0.108 0.000 1.041 405 T CB 1.101 70.085 68.868 0.193 0.000 1.028 405 T HN 0.628 8.890 8.240 0.037 0.000 0.511 406 L N 1.278 122.559 121.223 0.098 0.000 2.301 406 L HA 0.648 nan 4.340 nan 0.000 0.249 406 L C -1.473 175.497 176.870 0.166 0.000 1.069 406 L CA -1.294 53.552 54.840 0.009 0.000 0.865 406 L CB 3.798 45.860 42.059 0.005 0.000 1.467 406 L HN -0.287 7.944 8.230 0.183 0.108 0.419 407 I N -0.490 120.139 120.570 0.098 0.000 2.392 407 I HA 0.419 nan 4.170 nan 0.000 0.295 407 I C -1.806 174.304 176.117 -0.012 0.000 0.985 407 I CA -2.118 59.269 61.300 0.145 0.000 1.221 407 I CB 1.374 39.495 38.000 0.202 0.000 1.366 407 I HN 0.216 8.422 8.210 -0.006 0.000 0.467 408 K N 8.802 129.082 120.400 -0.201 0.000 2.545 408 K HA 0.391 nan 4.320 nan 0.000 0.252 408 K C -1.323 174.957 176.600 -0.532 0.000 0.948 408 K CA -1.661 54.397 56.287 -0.382 0.000 0.827 408 K CB 2.593 34.800 32.500 -0.489 0.000 1.128 408 K HN 0.840 8.835 8.250 -0.244 0.108 0.429 409 E N 5.586 125.592 120.200 -0.323 0.000 2.398 409 E HA 0.112 nan 4.350 nan 0.000 0.263 409 E C -1.034 175.242 176.600 -0.539 0.000 1.046 409 E CA 0.377 56.493 56.400 -0.472 0.000 0.908 409 E CB 0.492 29.974 29.700 -0.362 0.000 0.963 409 E HN 0.403 8.651 8.360 -0.188 0.000 0.431 410 S N 1.773 117.026 115.700 -0.745 0.000 2.727 410 S HA 0.349 nan 4.470 nan 0.000 0.278 410 S C -2.062 172.090 174.600 -0.746 0.000 1.186 410 S CA -0.974 56.790 58.200 -0.727 0.000 0.836 410 S CB 2.047 64.767 63.200 -0.800 0.000 1.186 410 S HN 0.422 8.221 8.310 -0.850 0.000 0.499 411 L N -1.037 119.953 121.223 -0.389 0.000 2.309 411 L HA 0.520 nan 4.340 nan 0.000 0.261 411 L C -2.227 174.750 176.870 0.178 0.000 1.021 411 L CA -1.236 53.549 54.840 -0.091 0.000 0.823 411 L CB 3.225 45.248 42.059 -0.059 0.000 1.366 411 L HN 0.484 8.543 8.230 -0.284 0.000 0.423 412 L N -0.644 120.687 121.223 0.180 0.000 2.543 412 L HA 0.257 nan 4.340 nan 0.000 0.265 412 L C -2.229 174.691 176.870 0.084 0.000 0.945 412 L CA 0.127 55.053 54.840 0.143 0.000 0.869 412 L CB 3.522 45.671 42.059 0.150 0.000 1.294 412 L HN -0.164 8.142 8.230 0.127 0.000 0.405 413 E N 6.508 126.743 120.200 0.057 0.000 1.941 413 E HA 0.211 nan 4.350 nan 0.000 0.275 413 E C 0.731 177.402 176.600 0.117 0.000 1.113 413 E CA -0.885 55.571 56.400 0.092 0.000 0.878 413 E CB 0.008 29.784 29.700 0.126 0.000 1.070 413 E HN 0.281 8.657 8.360 0.026 0.000 0.399 414 L N 6.765 128.045 121.223 0.094 0.000 2.083 414 L HA -0.387 nan 4.340 nan 0.000 0.209 414 L C 1.614 178.547 176.870 0.104 0.000 1.083 414 L CA 3.005 57.900 54.840 0.092 0.000 0.752 414 L CB -0.375 41.739 42.059 0.092 0.000 0.899 414 L HN 0.979 9.259 8.230 0.083 0.000 0.433 415 S N -0.720 115.050 115.700 0.117 0.000 2.434 415 S HA -0.485 nan 4.470 nan 0.000 0.250 415 S C 2.222 176.849 174.600 0.046 0.000 1.102 415 S CA 3.443 61.739 58.200 0.161 0.000 1.104 415 S CB -0.600 62.559 63.200 -0.069 0.000 0.957 415 S HN -0.204 8.164 8.310 0.097 0.000 0.456 416 H N -0.210 118.810 119.070 -0.083 0.000 2.326 416 H HA -0.147 nan 4.556 nan 0.000 0.301 416 H C 1.907 177.072 175.328 -0.272 0.000 1.081 416 H CA 2.957 58.811 56.048 -0.323 0.000 1.334 416 H CB 0.147 29.589 29.762 -0.533 0.000 1.385 416 H HN -0.843 7.480 8.280 0.127 0.033 0.504 417 G N -2.956 105.814 108.800 -0.051 0.000 2.404 417 G HA2 -0.133 nan 3.960 nan 0.000 0.214 417 G HA3 -0.133 nan 3.960 nan 0.000 0.214 417 G C -0.269 174.609 174.900 -0.038 0.000 1.189 417 G CA 0.930 45.978 45.100 -0.087 0.000 0.789 417 G HN -0.267 8.033 8.290 0.017 0.000 0.533 418 I N -3.723 116.867 120.570 0.034 0.000 3.076 418 I HA 0.447 nan 4.170 nan 0.000 0.313 418 I C -1.923 174.230 176.117 0.060 0.000 1.053 418 I CA -3.327 58.001 61.300 0.047 0.000 1.048 418 I CB 2.174 40.209 38.000 0.059 0.000 1.264 418 I HN -0.321 7.815 8.210 0.058 0.109 0.498 419 N N 1.598 120.288 118.700 -0.017 0.000 2.415 419 N HA -0.058 nan 4.740 nan 0.000 0.250 419 N C -0.037 175.396 175.510 -0.129 0.000 1.127 419 N CA -0.538 52.407 53.050 -0.175 0.000 0.945 419 N CB -0.663 37.677 38.487 -0.245 0.000 1.196 419 N HN -0.013 8.358 8.380 -0.016 0.000 0.499 420 F N 1.570 121.526 119.950 0.010 0.000 2.161 420 F HA -0.142 nan 4.527 nan 0.000 0.300 420 F C 1.379 177.170 175.800 -0.016 0.000 1.089 420 F CA 0.789 58.788 58.000 -0.002 0.000 1.282 420 F CB -0.203 38.794 39.000 -0.004 0.000 1.010 420 F HN -0.340 7.832 8.300 -0.213 0.000 0.485 421 G N -0.556 108.031 108.800 -0.355 0.000 3.548 421 G HA2 -0.551 nan 3.960 nan 0.000 0.224 421 G HA3 -0.551 nan 3.960 nan 0.000 0.224 421 G C 0.433 175.367 174.900 0.056 0.000 1.351 421 G CA 1.542 46.523 45.100 -0.198 0.000 0.905 421 G HN -0.248 7.516 8.290 -1.057 -0.109 0.561 422 T N 0.647 115.333 114.554 0.220 0.000 3.348 422 T HA 0.130 nan 4.350 nan 0.000 0.233 422 T C 0.247 175.107 174.700 0.268 0.000 0.960 422 T CA 0.189 62.420 62.100 0.218 0.000 1.343 422 T CB 0.915 69.852 68.868 0.116 0.000 1.068 422 T HN 0.186 8.486 8.240 0.183 0.050 0.410 423 D N 2.262 122.776 120.400 0.190 0.000 2.352 423 D HA -0.110 nan 4.640 nan 0.000 0.238 423 D C 0.466 176.653 176.300 -0.189 0.000 1.286 423 D CA 0.135 54.151 54.000 0.026 0.000 0.923 423 D CB 0.514 41.332 40.800 0.030 0.000 1.146 423 D HN -0.362 8.143 8.370 0.225 0.000 0.471 424 Q N -1.240 118.441 119.800 -0.197 0.000 2.016 424 Q HA -0.143 nan 4.340 nan 0.000 0.200 424 Q C 0.365 176.123 176.000 -0.403 0.000 0.978 424 Q CA 2.299 57.916 55.803 -0.311 0.000 0.833 424 Q CB 0.697 29.333 28.738 -0.170 0.000 0.895 424 Q HN -0.047 8.156 8.270 -0.111 0.000 0.427 425 S N -4.048 111.523 115.700 -0.216 0.000 2.543 425 S HA 0.184 nan 4.470 nan 0.000 0.273 425 S C -2.566 172.006 174.600 -0.046 0.000 1.152 425 S CA -0.143 57.975 58.200 -0.138 0.000 0.910 425 S CB 2.608 65.756 63.200 -0.088 0.000 1.105 425 S HN -0.686 7.639 8.310 -0.146 -0.103 0.465 426 V N 1.545 121.461 119.914 0.004 0.000 2.409 426 V HA 0.767 nan 4.120 nan 0.000 0.291 426 V C -1.599 174.522 176.094 0.045 0.000 1.020 426 V CA -2.728 59.596 62.300 0.040 0.000 0.848 426 V CB 1.420 33.289 31.823 0.077 0.000 0.990 426 V HN 0.704 8.898 8.190 0.007 0.000 0.430 427 K N 4.876 125.298 120.400 0.037 0.000 2.270 427 K HA 0.731 nan 4.320 nan 0.000 0.255 427 K C -2.072 174.560 176.600 0.053 0.000 0.936 427 K CA -2.527 53.784 56.287 0.040 0.000 0.809 427 K CB 2.958 35.465 32.500 0.012 0.000 1.131 427 K HN 0.663 8.831 8.250 0.032 0.102 0.427 428 V N 4.147 124.111 119.914 0.084 0.000 2.318 428 V HA 0.286 nan 4.120 nan 0.000 0.271 428 V C -1.504 174.656 176.094 0.110 0.000 1.030 428 V CA -2.424 59.942 62.300 0.110 0.000 0.844 428 V CB 0.688 32.599 31.823 0.147 0.000 1.015 428 V HN 0.069 8.317 8.190 0.096 0.000 0.460 429 K N 11.297 131.705 120.400 0.014 0.000 2.336 429 K HA 0.062 nan 4.320 nan 0.000 0.290 429 K C -1.008 175.522 176.600 -0.118 0.000 1.067 429 K CA 0.053 56.263 56.287 -0.128 0.000 0.962 429 K CB 0.037 32.457 32.500 -0.133 0.000 1.008 429 K HN 0.720 8.983 8.250 0.021 0.000 0.467 430 Y N 3.383 123.594 120.300 -0.148 0.000 2.618 430 Y HA 0.282 nan 4.550 nan 0.000 0.326 430 Y C -2.121 173.591 175.900 -0.313 0.000 1.168 430 Y CA -3.054 54.975 58.100 -0.117 0.000 1.269 430 Y CB 2.441 40.920 38.460 0.030 0.000 1.388 430 Y HN 0.248 8.030 8.280 -0.654 0.106 0.528 431 H N -0.692 118.492 119.070 0.190 0.000 2.609 431 H HA 0.446 nan 4.556 nan 0.000 0.344 431 H C -1.252 174.210 175.328 0.224 0.000 1.040 431 H CA -1.268 54.819 56.048 0.065 0.000 1.216 431 H CB 2.878 32.682 29.762 0.070 0.000 1.529 431 H HN -0.117 8.421 8.280 0.431 0.000 0.519 432 H N 1.488 120.690 119.070 0.221 0.000 2.797 432 H HA 0.374 nan 4.556 nan 0.000 0.372 432 H C -2.085 173.366 175.328 0.204 0.000 1.168 432 H CA -2.438 53.746 56.048 0.227 0.000 1.163 432 H CB 2.367 32.195 29.762 0.110 0.000 1.778 432 H HN 0.794 8.849 8.280 -0.178 0.117 0.551 433 L N 0.127 121.666 121.223 0.527 0.000 2.452 433 L HA 0.107 nan 4.340 nan 0.000 0.267 433 L C -1.059 176.122 176.870 0.518 0.000 1.188 433 L CA 0.829 55.921 54.840 0.420 0.000 0.821 433 L CB 1.287 43.523 42.059 0.294 0.000 1.102 433 L HN 0.371 8.949 8.230 0.579 0.000 0.470 434 D N 0.972 121.591 120.400 0.364 0.000 3.158 434 D HA 0.298 nan 4.640 nan 0.000 0.314 434 D C -2.153 174.263 176.300 0.194 0.000 1.308 434 D CA -1.993 52.169 54.000 0.270 0.000 1.001 434 D CB 2.826 43.728 40.800 0.171 0.000 1.389 434 D HN 0.367 8.929 8.370 0.319 0.000 0.595 435 H N -4.795 114.321 119.070 0.077 0.000 3.064 435 H HA 0.330 nan 4.556 nan 0.000 0.352 435 H C -1.684 173.606 175.328 -0.063 0.000 1.260 435 H CA -1.657 54.379 56.048 -0.020 0.000 1.160 435 H CB 2.774 32.494 29.762 -0.069 0.000 1.879 435 H HN -0.113 7.988 8.280 -0.297 0.000 0.544 436 E N 1.590 121.816 120.200 0.044 0.000 2.398 436 E HA 0.050 nan 4.350 nan 0.000 0.263 436 E C -1.296 175.379 176.600 0.125 0.000 1.046 436 E CA -1.633 54.782 56.400 0.025 0.000 0.908 436 E CB 0.762 30.465 29.700 0.004 0.000 0.963 436 E HN 0.232 8.492 8.360 0.035 0.121 0.431 437 P HA 0.017 nan 4.420 nan 0.000 0.271 437 P C -2.128 175.407 177.300 0.393 0.000 1.233 437 P CA 0.352 63.619 63.100 0.278 0.000 0.789 437 P CB 0.489 32.365 31.700 0.293 0.000 0.951 438 F N -5.427 114.560 119.950 0.062 0.000 2.807 438 F HA 0.498 nan 4.527 nan 0.000 0.316 438 F C -2.453 173.288 175.800 -0.099 0.000 1.162 438 F CA -2.052 55.918 58.000 -0.050 0.000 0.910 438 F CB 2.378 41.306 39.000 -0.121 0.000 1.314 438 F HN -0.254 8.256 8.300 0.350 0.000 0.454 439 T N -0.573 113.821 114.554 -0.266 0.000 2.916 439 T HA 0.619 nan 4.350 nan 0.000 0.292 439 T C -1.620 172.757 174.700 -0.537 0.000 1.055 439 T CA -1.582 60.265 62.100 -0.422 0.000 1.009 439 T CB 2.864 71.633 68.868 -0.165 0.000 1.118 439 T HN -0.159 8.057 8.240 -0.039 0.000 0.497 440 Y N 1.832 122.046 120.300 -0.145 0.000 2.313 440 Y HA 0.216 nan 4.550 nan 0.000 0.332 440 Y C -1.316 174.573 175.900 -0.018 0.000 1.071 440 Y CA -0.836 57.249 58.100 -0.023 0.000 1.169 440 Y CB 1.238 39.698 38.460 0.001 0.000 1.192 440 Y HN 0.497 8.543 8.280 -0.216 0.105 0.487 441 N N 3.511 122.280 118.700 0.115 0.000 2.446 441 N HA 0.428 nan 4.740 nan 0.000 0.265 441 N C -2.212 173.366 175.510 0.113 0.000 0.975 441 N CA -0.806 52.292 53.050 0.079 0.000 0.928 441 N CB 2.512 41.027 38.487 0.047 0.000 1.160 441 N HN -0.090 8.358 8.380 0.114 0.000 0.495 442 I N 6.052 126.682 120.570 0.100 0.000 2.418 442 I HA 0.614 nan 4.170 nan 0.000 0.287 442 I C -2.555 173.605 176.117 0.071 0.000 1.008 442 I CA -1.945 59.417 61.300 0.104 0.000 1.104 442 I CB 3.002 41.076 38.000 0.124 0.000 1.264 442 I HN 0.465 8.717 8.210 0.070 0.000 0.438 443 V N 9.006 128.963 119.914 0.070 0.000 2.532 443 V HA 0.675 nan 4.120 nan 0.000 0.295 443 V C -1.556 174.574 176.094 0.060 0.000 1.041 443 V CA -1.618 60.717 62.300 0.058 0.000 0.926 443 V CB 1.329 33.181 31.823 0.049 0.000 0.992 443 V HN 0.808 8.934 8.190 0.078 0.110 0.457 444 V N 5.328 125.275 119.914 0.055 0.000 2.841 444 V HA 0.407 nan 4.120 nan 0.000 0.310 444 V C -2.045 174.068 176.094 0.031 0.000 1.090 444 V CA -1.222 61.109 62.300 0.051 0.000 0.930 444 V CB 4.329 36.193 31.823 0.069 0.000 1.014 444 V HN 0.887 9.021 8.190 0.053 0.088 0.425 445 E N 6.359 126.568 120.200 0.015 0.000 2.070 445 E HA 0.272 nan 4.350 nan 0.000 0.261 445 E C -1.356 175.230 176.600 -0.023 0.000 0.926 445 E CA -2.358 54.042 56.400 -0.001 0.000 0.760 445 E CB 1.252 30.951 29.700 -0.002 0.000 1.133 445 E HN 0.732 8.984 8.360 0.016 0.118 0.420 446 N N 8.220 126.903 118.700 -0.028 0.000 2.739 446 N HA 0.018 nan 4.740 nan 0.000 0.266 446 N C 0.728 176.203 175.510 -0.059 0.000 1.168 446 N CA -1.306 51.708 53.050 -0.061 0.000 1.055 446 N CB -0.355 38.099 38.487 -0.054 0.000 1.393 446 N HN 0.350 8.633 8.380 -0.011 0.090 0.514 447 N N 4.231 122.893 118.700 -0.064 0.000 2.192 447 N HA -0.339 nan 4.740 nan 0.000 0.188 447 N C -0.080 175.398 175.510 -0.054 0.000 1.013 447 N CA 2.360 55.379 53.050 -0.052 0.000 0.863 447 N CB -0.007 38.449 38.487 -0.052 0.000 0.990 447 N HN -0.240 8.065 8.380 -0.073 0.031 0.430 448 S N -0.614 115.042 115.700 -0.073 0.000 2.533 448 S HA 0.003 nan 4.470 nan 0.000 0.282 448 S C 1.059 175.627 174.600 -0.054 0.000 1.304 448 S CA 0.308 58.468 58.200 -0.067 0.000 1.063 448 S CB 0.355 63.502 63.200 -0.089 0.000 0.881 448 S HN -0.693 7.529 8.310 -0.095 0.031 0.493 449 G N 1.582 110.358 108.800 -0.040 0.000 2.479 449 G HA2 -0.242 nan 3.960 nan 0.000 0.220 449 G HA3 -0.242 nan 3.960 nan 0.000 0.220 449 G C -0.942 173.936 174.900 -0.036 0.000 1.115 449 G CA 0.851 45.931 45.100 -0.033 0.000 0.757 449 G HN 0.432 8.700 8.290 -0.037 0.000 0.560 450 A N -0.990 121.805 122.820 -0.043 0.000 2.310 450 A HA 0.130 nan 4.320 nan 0.000 0.299 450 A C -0.679 176.863 177.584 -0.071 0.000 1.147 450 A CA -1.574 50.434 52.037 -0.047 0.000 0.818 450 A CB 1.060 20.038 19.000 -0.037 0.000 1.096 450 A HN -0.668 7.418 8.150 -0.045 0.037 0.495 451 E N 1.142 121.291 120.200 -0.085 0.000 2.652 451 E HA -0.310 nan 4.350 nan 0.000 0.255 451 E C -1.027 175.463 176.600 -0.183 0.000 0.952 451 E CA 0.994 57.314 56.400 -0.133 0.000 0.947 451 E CB 0.083 29.682 29.700 -0.169 0.000 0.912 451 E HN 0.361 8.679 8.360 -0.069 0.000 0.489 452 K N 4.840 125.154 120.400 -0.144 0.000 2.185 452 K HA 0.236 nan 4.320 nan 0.000 0.269 452 K C -1.227 175.381 176.600 0.012 0.000 0.987 452 K CA -1.576 54.673 56.287 -0.063 0.000 0.865 452 K CB 1.781 34.249 32.500 -0.053 0.000 1.090 452 K HN 0.573 8.679 8.250 -0.105 0.082 0.450 453 H N 3.718 122.976 119.070 0.314 0.000 2.552 453 H HA 0.496 nan 4.556 nan 0.000 0.311 453 H C -0.342 175.268 175.328 0.471 0.000 1.071 453 H CA -0.927 55.376 56.048 0.425 0.000 1.307 453 H CB 0.797 30.847 29.762 0.480 0.000 1.416 453 H HN 0.499 8.940 8.280 0.268 0.000 0.464 454 S N 3.284 119.292 115.700 0.514 0.000 2.648 454 S HA 0.753 nan 4.470 nan 0.000 0.305 454 S C -0.712 173.995 174.600 0.178 0.000 1.094 454 S CA -1.647 56.692 58.200 0.232 0.000 0.983 454 S CB 2.192 65.516 63.200 0.208 0.000 1.101 454 S HN 0.700 9.295 8.310 0.475 0.000 0.514 455 T N 2.271 116.806 114.554 -0.031 0.000 2.791 455 T HA 0.378 nan 4.350 nan 0.000 0.288 455 T C -1.336 173.239 174.700 -0.208 0.000 0.999 455 T CA -0.514 61.563 62.100 -0.037 0.000 0.952 455 T CB 0.669 69.579 68.868 0.071 0.000 0.938 455 T HN 0.652 8.639 8.240 -0.231 0.114 0.444 456 V N 7.425 127.102 119.914 -0.395 0.000 2.318 456 V HA 0.374 nan 4.120 nan 0.000 0.271 456 V C -0.884 175.005 176.094 -0.342 0.000 1.030 456 V CA -1.094 60.913 62.300 -0.488 0.000 0.844 456 V CB -0.354 30.850 31.823 -1.033 0.000 1.015 456 V HN 1.047 8.833 8.190 -0.496 0.107 0.460 457 R N 7.536 127.964 120.500 -0.121 0.000 2.207 457 R HA 0.597 nan 4.340 nan 0.000 0.334 457 R C -1.061 175.264 176.300 0.041 0.000 1.013 457 R CA -1.063 55.027 56.100 -0.017 0.000 0.858 457 R CB 0.572 30.974 30.300 0.169 0.000 1.094 457 R HN 0.424 8.644 8.270 -0.083 0.000 0.457 458 I N 4.097 124.616 120.570 -0.084 0.000 2.493 458 I HA 0.636 nan 4.170 nan 0.000 0.298 458 I C -1.493 174.636 176.117 0.019 0.000 0.998 458 I CA -1.020 60.306 61.300 0.043 0.000 1.137 458 I CB 2.675 40.574 38.000 -0.168 0.000 1.310 458 I HN 0.762 8.761 8.210 -0.177 0.105 0.445 459 F N 4.474 124.593 119.950 0.282 0.000 2.593 459 F HA 0.788 nan 4.527 nan 0.000 0.320 459 F C -1.551 174.489 175.800 0.400 0.000 1.060 459 F CA -1.575 56.645 58.000 0.366 0.000 0.940 459 F CB 4.272 43.537 39.000 0.442 0.000 1.268 459 F HN 0.428 8.998 8.300 0.619 0.102 0.475 460 L N 1.260 122.816 121.223 0.556 0.000 2.406 460 L HA 0.669 nan 4.340 nan 0.000 0.272 460 L C -2.363 174.696 176.870 0.316 0.000 0.980 460 L CA -1.334 53.738 54.840 0.387 0.000 0.831 460 L CB 3.543 45.751 42.059 0.249 0.000 1.253 460 L HN 0.890 9.340 8.230 0.555 0.113 0.406 461 A N 5.983 128.896 122.820 0.155 0.000 2.483 461 A HA 0.840 nan 4.320 nan 0.000 0.286 461 A C -3.476 174.113 177.584 0.009 0.000 1.207 461 A CA -2.707 49.254 52.037 -0.127 0.000 0.764 461 A CB 1.985 20.486 19.000 -0.832 0.000 1.341 461 A HN 1.016 9.174 8.150 0.199 0.112 0.428 462 P HA 0.310 nan 4.420 nan 0.000 0.292 462 P C -1.448 175.633 177.300 -0.366 0.000 1.283 462 P CA -0.780 62.048 63.100 -0.453 0.000 0.835 462 P CB 1.277 32.656 31.700 -0.536 0.000 1.017 463 K N 1.227 121.399 120.400 -0.380 0.000 2.166 463 K HA -0.059 nan 4.320 nan 0.000 0.201 463 K C 0.541 176.901 176.600 -0.401 0.000 1.052 463 K CA 1.209 57.286 56.287 -0.351 0.000 0.969 463 K CB 0.890 33.180 32.500 -0.349 0.000 0.761 463 K HN -0.244 7.719 8.250 -0.479 0.000 0.459 464 Y N -1.949 118.195 120.300 -0.259 0.000 2.326 464 Y HA -0.153 nan 4.550 nan 0.000 0.333 464 Y C -0.465 175.315 175.900 -0.200 0.000 1.240 464 Y CA 1.958 59.934 58.100 -0.207 0.000 1.365 464 Y CB 0.751 39.086 38.460 -0.209 0.000 1.289 464 Y HN -0.870 7.232 8.280 -0.296 0.000 0.548 465 D N 0.854 121.292 120.400 0.064 0.000 2.539 465 D HA 0.144 nan 4.640 nan 0.000 0.276 465 D C -0.488 175.803 176.300 -0.016 0.000 1.206 465 D CA -1.111 52.881 54.000 -0.013 0.000 1.081 465 D CB 2.164 42.951 40.800 -0.022 0.000 1.142 465 D HN 0.163 8.502 8.370 0.131 0.110 0.595 466 E N -1.845 118.329 120.200 -0.044 0.000 2.444 466 E HA -0.001 nan 4.350 nan 0.000 0.191 466 E C -0.955 175.621 176.600 -0.041 0.000 1.041 466 E CA 1.016 57.383 56.400 -0.055 0.000 0.883 466 E CB -0.346 29.318 29.700 -0.060 0.000 1.024 466 E HN 0.325 8.656 8.360 -0.048 0.000 0.470 467 L N -2.609 118.600 121.223 -0.023 0.000 2.670 467 L HA 0.226 nan 4.340 nan 0.000 0.177 467 L C 0.540 177.408 176.870 -0.002 0.000 1.181 467 L CA 0.722 55.552 54.840 -0.017 0.000 0.856 467 L CB 0.359 42.409 42.059 -0.014 0.000 1.205 467 L HN -0.152 7.975 8.230 -0.015 0.094 0.506 468 N N -2.461 116.255 118.700 0.025 0.000 3.316 468 N HA 0.044 nan 4.740 nan 0.000 0.300 468 N C -2.084 173.504 175.510 0.130 0.000 1.567 468 N CA -1.059 52.034 53.050 0.072 0.000 0.821 468 N CB 1.938 40.450 38.487 0.042 0.000 1.748 468 N HN -0.584 7.808 8.380 0.019 0.000 0.603 469 N N -0.449 118.339 118.700 0.147 0.000 2.406 469 N HA -0.123 nan 4.740 nan 0.000 0.269 469 N C -1.488 173.976 175.510 -0.077 0.000 1.210 469 N CA 0.820 53.854 53.050 -0.026 0.000 0.966 469 N CB 0.030 38.409 38.487 -0.181 0.000 1.293 469 N HN 0.213 8.688 8.380 0.158 0.000 0.491 470 K N 3.466 123.819 120.400 -0.077 0.000 2.616 470 K HA 0.268 nan 4.320 nan 0.000 0.241 470 K C -0.320 176.226 176.600 -0.090 0.000 0.961 470 K CA -1.459 54.785 56.287 -0.071 0.000 0.942 470 K CB 1.108 33.583 32.500 -0.042 0.000 1.153 470 K HN -0.291 7.919 8.250 -0.066 0.000 0.452 471 L N 6.497 127.664 121.223 -0.092 0.000 2.930 471 L HA 0.001 nan 4.340 nan 0.000 0.250 471 L C -0.820 176.018 176.870 -0.053 0.000 1.320 471 L CA -0.891 53.894 54.840 -0.091 0.000 1.163 471 L CB -1.717 40.292 42.059 -0.084 0.000 1.542 471 L HN 0.841 9.021 8.230 -0.085 0.000 0.428 472 E N 1.552 121.717 120.200 -0.057 0.000 2.081 472 E HA 0.004 nan 4.350 nan 0.000 0.270 472 E C -1.305 175.267 176.600 -0.048 0.000 1.180 472 E CA -1.206 55.171 56.400 -0.039 0.000 0.926 472 E CB -0.649 29.029 29.700 -0.038 0.000 1.035 472 E HN -0.247 7.964 8.360 -0.068 0.109 0.418 473 P HA -0.126 nan 4.420 nan 0.000 0.222 473 P C 0.735 178.032 177.300 -0.004 0.000 1.153 473 P CA 2.426 65.529 63.100 0.004 0.000 0.798 473 P CB 0.297 32.010 31.700 0.023 0.000 0.796 474 D N -0.352 120.031 120.400 -0.027 0.000 2.097 474 D HA -0.323 nan 4.640 nan 0.000 0.197 474 D C 1.406 177.707 176.300 0.003 0.000 0.984 474 D CA 3.364 57.357 54.000 -0.011 0.000 0.826 474 D CB -0.430 40.359 40.800 -0.018 0.000 0.973 474 D HN 0.312 8.662 8.370 -0.032 0.000 0.460 475 E N -1.737 118.452 120.200 -0.018 0.000 2.085 475 E HA -0.350 nan 4.350 nan 0.000 0.194 475 E C 2.478 179.047 176.600 -0.052 0.000 0.994 475 E CA 2.991 59.374 56.400 -0.029 0.000 0.801 475 E CB -0.162 29.510 29.700 -0.047 0.000 0.743 475 E HN 0.113 8.459 8.360 -0.024 0.000 0.453 476 Q N -1.429 118.311 119.800 -0.100 0.000 2.291 476 Q HA -0.245 nan 4.340 nan 0.000 0.205 476 Q C 2.257 178.198 176.000 -0.100 0.000 0.970 476 Q CA 2.569 58.227 55.803 -0.241 0.000 0.876 476 Q CB -0.250 28.195 28.738 -0.488 0.000 0.935 476 Q HN 0.115 8.153 8.270 -0.089 0.179 0.455 477 R N -1.438 119.151 120.500 0.148 0.000 2.200 477 R HA -0.268 nan 4.340 nan 0.000 0.234 477 R C 1.715 178.145 176.300 0.216 0.000 1.127 477 R CA 2.612 58.892 56.100 0.300 0.000 0.989 477 R CB -0.489 29.936 30.300 0.209 0.000 0.869 477 R HN -0.205 8.007 8.270 0.096 0.115 0.459 478 R N -2.923 117.646 120.500 0.116 0.000 2.148 478 R HA -0.093 nan 4.340 nan 0.000 0.223 478 R C 1.178 177.523 176.300 0.075 0.000 1.088 478 R CA 1.299 57.459 56.100 0.100 0.000 0.985 478 R CB -0.136 30.205 30.300 0.069 0.000 0.880 478 R HN -0.656 7.621 8.270 0.071 0.036 0.451 479 L N -1.469 119.768 121.223 0.025 0.000 2.316 479 L HA 0.063 nan 4.340 nan 0.000 0.207 479 L C 0.801 177.702 176.870 0.051 0.000 1.070 479 L CA 0.729 55.559 54.840 -0.016 0.000 0.820 479 L CB 0.114 42.096 42.059 -0.127 0.000 0.992 479 L HN -0.349 7.705 8.230 -0.005 0.173 0.466 480 F N -0.645 119.315 119.950 0.015 0.000 2.512 480 F HA -0.303 nan 4.527 nan 0.000 0.406 480 F C 0.245 176.201 175.800 0.260 0.000 0.990 480 F CA 2.573 60.626 58.000 0.088 0.000 1.137 480 F CB -0.248 38.690 39.000 -0.103 0.000 0.960 480 F HN -0.211 8.100 8.300 0.020 0.000 0.533 481 I N -0.385 120.515 120.570 0.550 0.000 2.465 481 I HA 0.404 nan 4.170 nan 0.000 0.291 481 I C -1.645 174.633 176.117 0.269 0.000 1.014 481 I CA -2.165 59.345 61.300 0.349 0.000 1.093 481 I CB 3.316 41.419 38.000 0.171 0.000 1.267 481 I HN 0.733 9.170 8.210 0.568 0.114 0.431 482 E N 6.660 126.866 120.200 0.010 0.000 2.217 482 E HA -0.034 nan 4.350 nan 0.000 0.279 482 E C -1.121 175.398 176.600 -0.135 0.000 1.068 482 E CA 0.369 56.489 56.400 -0.467 0.000 0.882 482 E CB 0.479 29.968 29.700 -0.352 0.000 1.039 482 E HN 0.051 8.796 8.360 0.160 -0.289 0.418 483 L N 5.537 126.701 121.223 -0.099 0.000 2.375 483 L HA 0.142 nan 4.340 nan 0.000 0.215 483 L C -1.040 175.827 176.870 -0.005 0.000 1.108 483 L CA 0.484 55.347 54.840 0.039 0.000 0.830 483 L CB 1.089 43.273 42.059 0.207 0.000 0.959 483 L HN 0.817 8.835 8.230 -0.168 0.111 0.457 484 D N -3.117 117.237 120.400 -0.076 0.000 2.683 484 D HA 0.189 nan 4.640 nan 0.000 0.246 484 D C -3.038 173.249 176.300 -0.021 0.000 1.238 484 D CA -0.373 53.616 54.000 -0.019 0.000 0.759 484 D CB 2.686 43.480 40.800 -0.009 0.000 1.349 484 D HN -0.818 7.457 8.370 -0.159 0.000 0.426 485 K N 2.521 122.968 120.400 0.078 0.000 2.651 485 K HA 0.528 nan 4.320 nan 0.000 0.259 485 K C -2.146 174.544 176.600 0.150 0.000 1.017 485 K CA -0.156 56.153 56.287 0.036 0.000 0.897 485 K CB 1.837 34.346 32.500 0.015 0.000 1.262 485 K HN 0.177 8.514 8.250 0.145 0.000 0.460 486 F N 1.081 121.016 119.950 -0.025 0.000 2.675 486 F HA 0.441 nan 4.527 nan 0.000 0.324 486 F C -2.404 173.429 175.800 0.056 0.000 1.106 486 F CA -2.483 55.519 58.000 0.002 0.000 0.970 486 F CB 2.915 41.898 39.000 -0.028 0.000 1.385 486 F HN 0.012 8.082 8.300 -0.383 0.000 0.489 487 F N -0.225 119.763 119.950 0.063 0.000 2.436 487 F HA 0.431 nan 4.527 nan 0.000 0.340 487 F C -2.278 173.659 175.800 0.228 0.000 1.113 487 F CA -1.683 56.231 58.000 -0.142 0.000 1.022 487 F CB 2.204 40.812 39.000 -0.654 0.000 1.128 487 F HN -0.038 8.496 8.300 0.390 0.000 0.466 488 Y N 7.188 127.319 120.300 -0.281 0.000 2.638 488 Y HA 0.233 nan 4.550 nan 0.000 0.339 488 Y C -2.274 173.447 175.900 -0.298 0.000 1.084 488 Y CA -1.283 56.602 58.100 -0.359 0.000 1.068 488 Y CB 4.719 43.201 38.460 0.037 0.000 1.294 488 Y HN -0.233 8.142 8.280 0.158 0.000 0.480 489 T N 3.907 118.093 114.554 -0.613 0.000 2.841 489 T HA 0.588 nan 4.350 nan 0.000 0.283 489 T C -1.587 172.940 174.700 -0.290 0.000 1.000 489 T CA -0.646 61.277 62.100 -0.295 0.000 0.977 489 T CB 1.233 69.968 68.868 -0.223 0.000 0.979 489 T HN -0.005 7.434 8.240 -1.335 0.000 0.446 490 L N 5.906 127.074 121.223 -0.091 0.000 2.372 490 L HA 0.431 nan 4.340 nan 0.000 0.273 490 L C -0.498 176.343 176.870 -0.047 0.000 0.989 490 L CA -1.024 53.819 54.840 0.006 0.000 0.841 490 L CB 2.207 44.322 42.059 0.093 0.000 1.225 490 L HN 0.836 8.899 8.230 -0.110 0.100 0.414 491 T N 2.508 117.038 114.554 -0.039 0.000 2.748 491 T HA 0.214 nan 4.350 nan 0.000 0.304 491 T C -0.947 173.735 174.700 -0.030 0.000 1.041 491 T CA -2.132 59.943 62.100 -0.043 0.000 1.033 491 T CB -1.087 67.763 68.868 -0.030 0.000 0.995 491 T HN 0.133 8.564 8.240 -0.011 -0.197 0.536 492 P HA -0.293 nan 4.420 nan 0.000 0.268 492 P C -0.697 176.595 177.300 -0.015 0.000 1.208 492 P CA 0.553 63.636 63.100 -0.028 0.000 0.777 492 P CB 0.118 31.802 31.700 -0.027 0.000 0.875 493 G N 2.279 111.070 108.800 -0.015 0.000 2.542 493 G HA2 -0.420 nan 3.960 nan 0.000 0.235 493 G HA3 -0.420 nan 3.960 nan 0.000 0.235 493 G C -1.471 173.433 174.900 0.006 0.000 1.286 493 G CA -0.370 44.727 45.100 -0.005 0.000 0.904 493 G HN -0.070 8.103 8.290 -0.023 0.103 0.577 494 K N 3.003 123.411 120.400 0.012 0.000 2.419 494 K HA -0.174 nan 4.320 nan 0.000 0.282 494 K C -0.834 175.787 176.600 0.035 0.000 1.056 494 K CA 1.039 57.340 56.287 0.022 0.000 1.035 494 K CB -0.228 32.284 32.500 0.021 0.000 0.921 494 K HN 0.117 8.372 8.250 0.009 0.000 0.472 495 N N 5.458 124.187 118.700 0.049 0.000 2.269 495 N HA 0.298 nan 4.740 nan 0.000 0.304 495 N C -1.682 173.871 175.510 0.072 0.000 1.072 495 N CA -0.513 52.582 53.050 0.076 0.000 0.802 495 N CB 4.251 42.803 38.487 0.108 0.000 1.348 495 N HN 0.554 8.858 8.380 0.045 0.103 0.484 496 T N -3.574 111.026 114.554 0.076 0.000 2.841 496 T HA 0.669 nan 4.350 nan 0.000 0.283 496 T C -0.910 173.800 174.700 0.017 0.000 1.000 496 T CA -1.732 60.398 62.100 0.048 0.000 0.977 496 T CB 1.448 70.338 68.868 0.037 0.000 0.979 496 T HN 0.200 8.496 8.240 0.094 0.000 0.446 497 I N 2.772 123.306 120.570 -0.060 0.000 2.530 497 I HA 0.446 nan 4.170 nan 0.000 0.297 497 I C -1.521 174.519 176.117 -0.128 0.000 1.011 497 I CA -1.326 59.817 61.300 -0.261 0.000 1.107 497 I CB 3.879 41.676 38.000 -0.339 0.000 1.285 497 I HN 0.541 8.744 8.210 -0.012 0.000 0.436 498 V N 5.050 124.866 119.914 -0.162 0.000 2.588 498 V HA 0.595 nan 4.120 nan 0.000 0.304 498 V C -1.475 174.529 176.094 -0.151 0.000 1.042 498 V CA -1.352 60.894 62.300 -0.089 0.000 0.877 498 V CB 1.793 33.579 31.823 -0.062 0.000 0.996 498 V HN 0.118 8.159 8.190 -0.248 0.000 0.425 499 R N 7.282 127.723 120.500 -0.098 0.000 2.510 499 R HA 0.343 nan 4.340 nan 0.000 0.294 499 R C -1.887 174.338 176.300 -0.125 0.000 1.056 499 R CA -1.756 54.239 56.100 -0.174 0.000 0.918 499 R CB 2.958 33.109 30.300 -0.247 0.000 1.187 499 R HN 0.331 8.585 8.270 -0.026 0.000 0.437 500 N N 6.421 125.013 118.700 -0.181 0.000 2.518 500 N HA 0.143 nan 4.740 nan 0.000 0.283 500 N C 0.779 176.161 175.510 -0.214 0.000 1.119 500 N CA -0.426 52.508 53.050 -0.194 0.000 0.983 500 N CB 0.879 39.285 38.487 -0.136 0.000 1.139 500 N HN 0.463 8.725 8.380 -0.197 0.000 0.465 501 H N 3.469 122.359 119.070 -0.301 0.000 2.375 501 H HA -0.540 nan 4.556 nan 0.000 0.289 501 H C 1.779 177.112 175.328 0.008 0.000 1.121 501 H CA 4.293 60.234 56.048 -0.178 0.000 1.207 501 H CB -0.051 29.757 29.762 0.076 0.000 1.355 501 H HN 0.640 8.784 8.280 -0.226 0.000 0.486 502 Q N -1.457 117.932 119.800 -0.686 0.000 2.124 502 Q HA -0.262 nan 4.340 nan 0.000 0.202 502 Q C 0.882 176.754 176.000 -0.213 0.000 0.977 502 Q CA 2.336 57.783 55.803 -0.594 0.000 0.850 502 Q CB -0.722 27.788 28.738 -0.381 0.000 0.901 502 Q HN 0.321 8.246 8.270 -0.474 0.061 0.429 503 D N -2.422 117.873 120.400 -0.176 0.000 2.352 503 D HA 0.162 nan 4.640 nan 0.000 0.236 503 D C -0.402 175.853 176.300 -0.075 0.000 1.148 503 D CA -0.909 53.022 54.000 -0.115 0.000 0.844 503 D CB -0.521 40.189 40.800 -0.150 0.000 0.933 503 D HN -0.671 7.544 8.370 -0.215 0.026 0.507 504 S N 0.514 116.195 115.700 -0.031 0.000 2.544 504 S HA -0.175 nan 4.470 nan 0.000 0.290 504 S C 0.591 175.186 174.600 -0.010 0.000 1.276 504 S CA 0.744 58.951 58.200 0.012 0.000 1.075 504 S CB 0.343 63.589 63.200 0.076 0.000 0.849 504 S HN -0.747 7.441 8.310 -0.037 0.099 0.494 505 S N 9.247 124.937 115.700 -0.016 0.000 2.727 505 S HA -0.053 nan 4.470 nan 0.000 0.226 505 S C -0.086 174.468 174.600 -0.077 0.000 0.963 505 S CA 2.253 60.441 58.200 -0.021 0.000 0.950 505 S CB -0.307 62.899 63.200 0.009 0.000 0.779 505 S HN 0.373 8.834 8.310 -0.001 -0.151 0.532 506 V N -7.062 112.747 119.914 -0.175 0.000 3.635 506 V HA 0.385 nan 4.120 nan 0.000 0.266 506 V C -0.975 175.049 176.094 -0.118 0.000 1.316 506 V CA -0.162 61.890 62.300 -0.414 0.000 1.060 506 V CB 0.687 31.870 31.823 -1.068 0.000 0.820 506 V HN -0.728 7.290 8.190 -0.117 0.101 0.447 507 T N -1.108 113.451 114.554 0.007 0.000 2.928 507 T HA 0.484 nan 4.350 nan 0.000 0.284 507 T C -0.843 173.922 174.700 0.109 0.000 1.008 507 T CA -2.001 60.164 62.100 0.110 0.000 1.057 507 T CB 1.447 70.395 68.868 0.133 0.000 1.018 507 T HN -0.709 7.524 8.240 -0.012 0.000 0.493 508 I N 3.216 123.859 120.570 0.122 0.000 2.474 508 I HA -0.050 nan 4.170 nan 0.000 0.287 508 I C -0.933 175.227 176.117 0.072 0.000 1.048 508 I CA -1.164 60.183 61.300 0.078 0.000 1.383 508 I CB 1.587 39.629 38.000 0.071 0.000 1.412 508 I HN 0.034 8.333 8.210 0.149 0.000 0.531 509 S N 7.904 123.628 115.700 0.040 0.000 2.356 509 S HA 0.007 nan 4.470 nan 0.000 0.179 509 S C -0.107 174.510 174.600 0.029 0.000 0.940 509 S CA 0.828 59.053 58.200 0.042 0.000 0.955 509 S CB 0.837 64.049 63.200 0.020 0.000 0.861 509 S HN -0.127 8.347 8.310 0.021 -0.151 0.527 510 K N 2.168 122.567 120.400 -0.001 0.000 2.156 510 K HA 0.121 nan 4.320 nan 0.000 0.271 510 K C -1.276 175.286 176.600 -0.063 0.000 0.995 510 K CA -0.432 55.849 56.287 -0.010 0.000 0.890 510 K CB 0.989 33.490 32.500 0.002 0.000 1.073 510 K HN -0.146 8.099 8.250 -0.008 0.000 0.454 511 V N 1.815 121.703 119.914 -0.043 0.000 2.960 511 V HA 0.216 nan 4.120 nan 0.000 0.315 511 V C -1.241 174.828 176.094 -0.043 0.000 1.087 511 V CA -2.533 59.724 62.300 -0.072 0.000 0.982 511 V CB 3.227 35.036 31.823 -0.024 0.000 1.039 511 V HN 0.159 8.343 8.190 -0.011 0.000 0.437 512 R N 3.564 124.035 120.500 -0.049 0.000 2.338 512 R HA 0.327 nan 4.340 nan 0.000 0.317 512 R C -0.733 175.557 176.300 -0.016 0.000 0.968 512 R CA -1.845 54.244 56.100 -0.019 0.000 0.849 512 R CB -0.080 30.218 30.300 -0.002 0.000 1.128 512 R HN 0.211 8.437 8.270 -0.075 0.000 0.448 513 T N 2.799 117.348 114.554 -0.008 0.000 2.898 513 T HA 0.086 nan 4.350 nan 0.000 0.301 513 T C 1.129 175.833 174.700 0.007 0.000 1.049 513 T CA -0.507 61.585 62.100 -0.013 0.000 1.095 513 T CB 1.158 70.012 68.868 -0.023 0.000 0.976 513 T HN 0.190 8.428 8.240 -0.003 0.000 0.539 514 F N 6.466 126.297 119.950 -0.199 0.000 2.225 514 F HA -0.448 nan 4.527 nan 0.000 0.302 514 F C 1.107 176.852 175.800 -0.091 0.000 1.068 514 F CA 3.694 61.584 58.000 -0.183 0.000 1.327 514 F CB 0.306 39.088 39.000 -0.364 0.000 1.043 514 F HN 0.420 9.073 8.300 0.041 -0.328 0.506 515 D N -1.969 118.521 120.400 0.151 0.000 2.084 515 D HA -0.281 nan 4.640 nan 0.000 0.196 515 D C 2.563 178.912 176.300 0.081 0.000 0.985 515 D CA 3.490 57.584 54.000 0.155 0.000 0.826 515 D CB -0.614 40.250 40.800 0.107 0.000 0.978 515 D HN -0.633 7.718 8.370 0.043 0.045 0.456 516 Q N -0.558 119.264 119.800 0.037 0.000 2.096 516 Q HA -0.327 nan 4.340 nan 0.000 0.204 516 Q C 2.640 178.637 176.000 -0.006 0.000 0.982 516 Q CA 2.903 58.716 55.803 0.016 0.000 0.850 516 Q CB 0.023 28.767 28.738 0.011 0.000 0.901 516 Q HN -0.592 7.697 8.270 0.032 0.000 0.422 517 L N -1.830 119.370 121.223 -0.039 0.000 2.046 517 L HA -0.286 nan 4.340 nan 0.000 0.208 517 L C 2.382 179.204 176.870 -0.081 0.000 1.077 517 L CA 2.243 57.025 54.840 -0.097 0.000 0.747 517 L CB -0.519 41.411 42.059 -0.215 0.000 0.896 517 L HN -0.457 7.741 8.230 -0.035 0.012 0.432 518 G N -2.921 105.860 108.800 -0.031 0.000 2.470 518 G HA2 -0.285 nan 3.960 nan 0.000 0.220 518 G HA3 -0.285 nan 3.960 nan 0.000 0.220 518 G C -0.363 174.557 174.900 0.033 0.000 1.121 518 G CA 0.920 46.040 45.100 0.034 0.000 0.766 518 G HN -0.154 8.067 8.290 -0.008 0.064 0.553 519 A N 0.813 123.646 122.820 0.022 0.000 2.666 519 A HA 0.489 nan 4.320 nan 0.000 0.221 519 A C -0.742 176.838 177.584 -0.007 0.000 2.097 519 A CA 0.080 52.125 52.037 0.013 0.000 0.835 519 A CB 1.284 20.295 19.000 0.019 0.000 1.409 519 A HN -0.427 7.613 8.150 0.023 0.124 0.531 520 G N -2.071 106.722 108.800 -0.012 0.000 2.238 520 G HA2 -0.069 nan 3.960 nan 0.000 0.276 520 G HA3 -0.069 nan 3.960 nan 0.000 0.276 520 G C -2.398 172.491 174.900 -0.018 0.000 1.744 520 G CA 0.643 45.729 45.100 -0.024 0.000 0.912 520 G HN -0.374 7.913 8.290 -0.005 0.000 0.744 521 E N 1.356 121.542 120.200 -0.024 0.000 2.449 521 E HA 0.264 nan 4.350 nan 0.000 0.278 521 E C -0.669 175.911 176.600 -0.034 0.000 0.992 521 E CA -0.492 55.898 56.400 -0.016 0.000 0.807 521 E CB 3.077 32.780 29.700 0.005 0.000 1.350 521 E HN 0.183 8.521 8.360 -0.037 0.000 0.462 522 G N 0.625 109.407 108.800 -0.030 0.000 2.938 522 G HA2 0.243 nan 3.960 nan 0.000 0.308 522 G HA3 0.243 nan 3.960 nan 0.000 0.308 522 G C -1.721 173.160 174.900 -0.032 0.000 1.422 522 G CA 0.074 45.143 45.100 -0.051 0.000 1.071 522 G HN 0.243 8.523 8.290 -0.017 0.000 0.530 523 V N 1.936 121.829 119.914 -0.034 0.000 3.090 523 V HA 0.212 nan 4.120 nan 0.000 0.237 523 V C 0.097 176.182 176.094 -0.014 0.000 1.209 523 V CA 0.471 62.788 62.300 0.028 0.000 1.209 523 V CB 0.780 32.696 31.823 0.154 0.000 0.971 523 V HN 0.471 8.612 8.190 -0.082 0.000 0.477 524 S N -0.370 115.224 115.700 -0.177 0.000 4.209 524 S HA 0.185 nan 4.470 nan 0.000 0.225 524 S C -1.586 172.789 174.600 -0.375 0.000 1.128 524 S CA -0.612 57.458 58.200 -0.218 0.000 1.240 524 S CB 1.287 64.383 63.200 -0.174 0.000 1.892 524 S HN -0.663 7.440 8.310 -0.345 0.000 0.639 525 E N -0.543 119.400 120.200 -0.429 0.000 2.646 525 E HA 0.182 nan 4.350 nan 0.000 0.336 525 E C -1.733 174.626 176.600 -0.402 0.000 1.027 525 E CA -0.164 55.971 56.400 -0.441 0.000 0.765 525 E CB 2.327 31.858 29.700 -0.281 0.000 1.545 525 E HN 0.145 8.286 8.360 -0.365 0.000 0.382 526 D N 1.822 121.912 120.400 -0.515 0.000 3.093 526 D HA 0.250 nan 4.640 nan 0.000 0.200 526 D C -0.643 175.542 176.300 -0.193 0.000 1.344 526 D CA -1.146 52.686 54.000 -0.279 0.000 1.133 526 D CB 2.649 43.338 40.800 -0.185 0.000 1.188 526 D HN -0.135 7.690 8.370 -0.908 0.000 0.583 527 S N -1.869 113.806 115.700 -0.042 0.000 3.939 527 S HA 0.277 nan 4.470 nan 0.000 0.302 527 S C 1.211 175.827 174.600 0.028 0.000 1.108 527 S CA -0.556 57.635 58.200 -0.015 0.000 1.225 527 S CB 1.465 64.591 63.200 -0.123 0.000 1.467 527 S HN -0.143 8.165 8.310 -0.003 0.000 0.735 528 T N 1.490 115.979 114.554 -0.108 0.000 2.946 528 T HA -0.150 nan 4.350 nan 0.000 0.271 528 T C 0.653 175.233 174.700 -0.201 0.000 1.104 528 T CA 2.958 64.922 62.100 -0.228 0.000 1.114 528 T CB -0.678 68.039 68.868 -0.252 0.000 0.867 528 T HN 0.428 8.584 8.240 -0.139 0.000 0.513 529 E N -0.385 119.762 120.200 -0.089 0.000 2.008 529 E HA -0.186 nan 4.350 nan 0.000 0.191 529 E C 1.537 178.142 176.600 0.009 0.000 0.986 529 E CA 1.261 57.653 56.400 -0.013 0.000 0.807 529 E CB -0.667 29.020 29.700 -0.022 0.000 0.766 529 E HN -0.032 8.239 8.360 -0.097 0.031 0.450 530 Y N 0.488 120.762 120.300 -0.043 0.000 2.139 530 Y HA -0.444 nan 4.550 nan 0.000 0.282 530 Y C 0.165 176.071 175.900 0.010 0.000 1.179 530 Y CA 3.002 61.092 58.100 -0.016 0.000 1.161 530 Y CB -0.211 38.223 38.460 -0.044 0.000 0.970 530 Y HN -0.132 8.166 8.280 0.186 0.094 0.511 531 C N -4.776 114.002 119.300 -0.871 0.000 2.426 531 C HA 0.162 nan 4.460 nan 0.000 0.318 531 C C 0.731 175.609 174.990 -0.187 0.000 1.451 531 C CA -1.324 57.328 59.018 -0.610 0.000 2.090 531 C CB 0.182 27.525 27.740 -0.662 0.000 2.151 531 C HN -0.649 7.229 8.230 -0.587 0.000 0.608 532 S N 1.482 117.099 115.700 -0.139 0.000 2.440 532 S HA -0.231 nan 4.470 nan 0.000 0.240 532 S C 0.073 174.868 174.600 0.325 0.000 1.014 532 S CA 2.583 60.817 58.200 0.056 0.000 0.980 532 S CB 0.032 63.039 63.200 -0.322 0.000 0.775 532 S HN -0.162 8.015 8.310 -0.222 0.000 0.499 533 C N -2.566 116.869 119.300 0.225 0.000 2.662 533 C HA 0.295 nan 4.460 nan 0.000 0.408 533 C C -0.908 174.353 174.990 0.452 0.000 2.199 533 C CA -0.790 58.468 59.018 0.402 0.000 1.790 533 C CB 2.231 30.136 27.740 0.274 0.000 2.162 533 C HN -0.132 8.005 8.230 0.084 0.144 0.448 534 G N 0.047 109.218 108.800 0.617 0.000 2.722 534 G HA2 -0.317 nan 3.960 nan 0.000 0.686 534 G HA3 -0.317 nan 3.960 nan 0.000 0.686 534 G C -1.507 173.574 174.900 0.301 0.000 1.282 534 G CA -0.492 44.846 45.100 0.397 0.000 0.817 534 G HN -0.103 8.654 8.290 0.779 0.000 0.605 535 W N 1.983 123.262 121.300 -0.035 0.000 2.190 535 W HA 0.024 nan 4.660 nan 0.000 0.330 535 W C -1.233 175.296 176.519 0.017 0.000 1.299 535 W CA -1.852 55.459 57.345 -0.056 0.000 1.215 535 W CB 1.158 30.702 29.460 0.141 0.000 1.147 535 W HN 0.694 9.034 8.180 0.397 0.078 0.563 536 P HA -0.132 nan 4.420 nan 0.000 0.268 536 P C -0.425 176.845 177.300 -0.049 0.000 1.208 536 P CA 0.037 63.019 63.100 -0.197 0.000 0.777 536 P CB 0.549 31.974 31.700 -0.459 0.000 0.875 537 E N 3.676 123.919 120.200 0.071 0.000 2.028 537 E HA -0.381 nan 4.350 nan 0.000 0.190 537 E C 1.795 178.583 176.600 0.313 0.000 0.984 537 E CA 3.694 60.246 56.400 0.252 0.000 0.800 537 E CB -0.052 29.816 29.700 0.280 0.000 0.758 537 E HN 0.686 9.090 8.360 0.074 0.000 0.448 538 H N -4.559 114.589 119.070 0.129 0.000 2.520 538 H HA -0.184 nan 4.556 nan 0.000 0.295 538 H C 0.415 175.920 175.328 0.296 0.000 1.096 538 H CA 2.339 58.468 56.048 0.135 0.000 1.249 538 H CB -0.667 29.067 29.762 -0.045 0.000 1.365 538 H HN 0.309 8.792 8.280 0.339 0.000 0.556 539 M N -2.264 117.395 119.600 0.099 0.000 2.475 539 M HA 0.193 nan 4.480 nan 0.000 0.283 539 M C -0.157 176.395 176.300 0.420 0.000 1.165 539 M CA -2.642 52.833 55.300 0.293 0.000 0.976 539 M CB -0.752 31.999 32.600 0.251 0.000 1.428 539 M HN -0.735 7.444 8.290 -0.085 0.060 0.495 540 L N 1.194 122.633 121.223 0.360 0.000 2.131 540 L HA -0.188 nan 4.340 nan 0.000 0.210 540 L C -1.117 175.800 176.870 0.078 0.000 1.092 540 L CA 2.812 57.803 54.840 0.252 0.000 0.759 540 L CB 0.485 42.671 42.059 0.211 0.000 0.903 540 L HN -0.148 8.147 8.230 0.406 0.178 0.435 541 I N -3.598 116.945 120.570 -0.046 0.000 2.478 541 I HA 0.209 nan 4.170 nan 0.000 0.287 541 I C -2.600 173.471 176.117 -0.076 0.000 1.042 541 I CA -3.323 57.890 61.300 -0.145 0.000 1.067 541 I CB 1.870 39.646 38.000 -0.373 0.000 1.233 541 I HN -0.544 7.661 8.210 0.025 0.020 0.431 542 P HA 0.005 nan 4.420 nan 0.000 0.270 542 P C -1.405 175.825 177.300 -0.116 0.000 1.221 542 P CA -0.230 62.824 63.100 -0.076 0.000 0.788 542 P CB 0.681 32.319 31.700 -0.103 0.000 0.904 543 R N 1.430 121.882 120.500 -0.080 0.000 2.127 543 R HA -0.378 nan 4.340 nan 0.000 0.238 543 R C 0.815 177.089 176.300 -0.044 0.000 1.134 543 R CA 1.898 57.918 56.100 -0.134 0.000 0.975 543 R CB 0.460 30.497 30.300 -0.438 0.000 0.865 543 R HN 0.233 8.835 8.270 -0.032 -0.351 0.447 544 G N -2.183 106.622 108.800 0.008 0.000 2.561 544 G HA2 -0.406 nan 3.960 nan 0.000 0.289 544 G HA3 -0.406 nan 3.960 nan 0.000 0.289 544 G C -0.721 174.251 174.900 0.121 0.000 1.169 544 G CA 0.277 45.477 45.100 0.165 0.000 0.980 544 G HN -0.627 7.634 8.290 0.012 0.035 0.550 545 S N 0.068 115.845 115.700 0.129 0.000 2.625 545 S HA 0.215 nan 4.470 nan 0.000 0.271 545 S C -0.007 174.689 174.600 0.160 0.000 1.161 545 S CA -0.938 57.331 58.200 0.116 0.000 0.820 545 S CB 2.305 65.549 63.200 0.074 0.000 1.137 545 S HN -0.363 8.030 8.310 0.137 0.000 0.470 546 H N 4.237 123.371 119.070 0.107 0.000 2.423 546 H HA -0.182 nan 4.556 nan 0.000 0.297 546 H C -0.375 174.987 175.328 0.057 0.000 1.075 546 H CA 2.478 58.586 56.048 0.099 0.000 1.342 546 H CB 0.292 30.107 29.762 0.088 0.000 1.395 546 H HN 0.770 9.193 8.280 0.238 0.000 0.530 547 K N -5.173 115.176 120.400 -0.085 0.000 2.147 547 K HA -0.187 nan 4.320 nan 0.000 0.205 547 K C 0.397 176.946 176.600 -0.085 0.000 1.049 547 K CA 0.466 56.693 56.287 -0.101 0.000 0.936 547 K CB -0.110 32.369 32.500 -0.035 0.000 0.722 547 K HN -0.217 8.029 8.250 0.027 0.021 0.446 548 G N 0.834 109.615 108.800 -0.033 0.000 3.055 548 G HA2 -0.289 nan 3.960 nan 0.000 0.654 548 G HA3 -0.289 nan 3.960 nan 0.000 0.654 548 G C -1.403 173.550 174.900 0.088 0.000 1.134 548 G CA -0.600 44.512 45.100 0.021 0.000 1.049 548 G HN -0.588 7.519 8.290 -0.019 0.172 0.458 549 M N 2.574 122.277 119.600 0.170 0.000 2.283 549 M HA 0.151 nan 4.480 nan 0.000 0.314 549 M C -2.082 174.446 176.300 0.380 0.000 1.153 549 M CA -0.469 54.980 55.300 0.248 0.000 1.084 549 M CB 3.178 35.965 32.600 0.312 0.000 1.468 549 M HN 0.199 8.595 8.290 0.178 0.000 0.474 550 E N 0.674 121.041 120.200 0.280 0.000 2.224 550 E HA 0.707 nan 4.350 nan 0.000 0.265 550 E C -1.452 175.139 176.600 -0.014 0.000 0.878 550 E CA -1.141 55.379 56.400 0.200 0.000 0.759 550 E CB 2.615 32.400 29.700 0.142 0.000 1.164 550 E HN 0.144 8.597 8.360 0.155 0.000 0.414 551 F N 4.500 124.435 119.950 -0.025 0.000 2.814 551 F HA 0.701 nan 4.527 nan 0.000 0.353 551 F C -1.335 174.437 175.800 -0.046 0.000 1.177 551 F CA -1.333 56.644 58.000 -0.039 0.000 1.036 551 F CB 5.008 43.998 39.000 -0.016 0.000 1.455 551 F HN 0.819 9.274 8.300 0.259 0.000 0.520 552 E N -0.387 119.930 120.200 0.195 0.000 2.265 552 E HA 0.351 nan 4.350 nan 0.000 0.262 552 E C -2.025 174.724 176.600 0.248 0.000 0.889 552 E CA -1.344 55.129 56.400 0.121 0.000 0.789 552 E CB 3.570 33.270 29.700 -0.001 0.000 1.221 552 E HN 0.534 8.985 8.360 0.291 0.084 0.414 553 L N 8.392 129.771 121.223 0.259 0.000 2.287 553 L HA 0.373 nan 4.340 nan 0.000 0.280 553 L C -2.190 174.940 176.870 0.433 0.000 1.055 553 L CA -0.763 54.298 54.840 0.369 0.000 0.863 553 L CB 0.997 43.267 42.059 0.352 0.000 1.245 553 L HN 0.073 8.417 8.230 0.189 0.000 0.432 554 F N 8.962 129.160 119.950 0.412 0.000 2.411 554 F HA 0.517 nan 4.527 nan 0.000 0.352 554 F C -1.818 174.233 175.800 0.419 0.000 1.123 554 F CA -2.805 55.436 58.000 0.401 0.000 1.044 554 F CB 2.054 41.334 39.000 0.467 0.000 1.135 554 F HN 0.384 9.006 8.300 0.742 0.123 0.461 555 V N 8.123 128.454 119.914 0.694 0.000 2.630 555 V HA 0.642 nan 4.120 nan 0.000 0.305 555 V C -2.066 174.207 176.094 0.297 0.000 1.046 555 V CA -1.847 60.690 62.300 0.395 0.000 0.934 555 V CB 2.600 34.571 31.823 0.247 0.000 1.003 555 V HN 0.977 9.496 8.190 0.742 0.116 0.451 556 M N 3.583 123.268 119.600 0.143 0.000 2.530 556 M HA 0.738 nan 4.480 nan 0.000 0.307 556 M C -2.237 174.056 176.300 -0.012 0.000 1.161 556 M CA -1.494 53.819 55.300 0.022 0.000 0.903 556 M CB 4.437 36.970 32.600 -0.111 0.000 1.711 556 M HN 0.673 9.052 8.290 0.147 0.000 0.451 557 L N 5.196 126.414 121.223 -0.007 0.000 2.316 557 L HA 0.592 nan 4.340 nan 0.000 0.280 557 L C -1.758 174.946 176.870 -0.277 0.000 1.006 557 L CA -0.652 54.138 54.840 -0.083 0.000 0.836 557 L CB 0.883 43.022 42.059 0.133 0.000 1.221 557 L HN 0.562 8.820 8.230 0.047 0.000 0.418 558 T N 4.811 119.109 114.554 -0.427 0.000 2.937 558 T HA 0.372 nan 4.350 nan 0.000 0.283 558 T C -1.532 172.586 174.700 -0.969 0.000 1.012 558 T CA -1.648 60.110 62.100 -0.569 0.000 0.997 558 T CB 2.011 70.751 68.868 -0.214 0.000 1.136 558 T HN 0.482 8.553 8.240 -0.282 0.000 0.551 559 D N 0.379 120.337 120.400 -0.737 0.000 2.255 559 D HA 0.232 nan 4.640 nan 0.000 0.249 559 D C 0.166 176.354 176.300 -0.186 0.000 1.078 559 D CA -0.542 53.175 54.000 -0.471 0.000 0.896 559 D CB 1.792 42.563 40.800 -0.050 0.000 1.194 559 D HN 0.308 8.412 8.370 -0.444 0.000 0.429 560 H N 5.527 124.552 119.070 -0.074 0.000 2.448 560 H HA -0.091 nan 4.556 nan 0.000 0.292 560 H C 2.134 177.369 175.328 -0.154 0.000 1.035 560 H CA 3.107 59.098 56.048 -0.095 0.000 1.349 560 H CB 0.948 30.692 29.762 -0.031 0.000 1.425 560 H HN 0.344 8.647 8.280 0.183 0.087 0.539 561 D N -1.010 119.308 120.400 -0.136 0.000 2.183 561 D HA -0.179 nan 4.640 nan 0.000 0.203 561 D C 1.294 177.484 176.300 -0.184 0.000 0.969 561 D CA 3.077 56.972 54.000 -0.174 0.000 0.842 561 D CB -0.295 40.482 40.800 -0.037 0.000 0.957 561 D HN -0.012 8.641 8.370 0.052 -0.252 0.484 562 E N 0.106 120.217 120.200 -0.148 0.000 2.015 562 E HA -0.260 nan 4.350 nan 0.000 0.191 562 E C 1.119 177.577 176.600 -0.237 0.000 0.991 562 E CA 2.463 58.767 56.400 -0.160 0.000 0.802 562 E CB 0.403 30.025 29.700 -0.130 0.000 0.759 562 E HN -0.770 7.749 8.360 -0.090 -0.212 0.447 563 D N -3.212 117.006 120.400 -0.303 0.000 2.218 563 D HA -0.021 nan 4.640 nan 0.000 0.204 563 D C 0.671 176.736 176.300 -0.392 0.000 0.976 563 D CA 1.449 55.252 54.000 -0.327 0.000 0.853 563 D CB 0.516 41.144 40.800 -0.287 0.000 0.939 563 D HN -0.253 7.831 8.370 -0.291 0.111 0.481 564 T N 2.319 116.534 114.554 -0.566 0.000 2.888 564 T HA -0.089 nan 4.350 nan 0.000 0.301 564 T C 0.489 175.029 174.700 -0.267 0.000 1.001 564 T CA 1.739 63.541 62.100 -0.495 0.000 1.147 564 T CB 0.359 68.914 68.868 -0.522 0.000 0.931 564 T HN -0.406 7.425 8.240 -0.631 0.031 0.541 565 V N 5.509 125.311 119.914 -0.187 0.000 2.686 565 V HA 0.101 nan 4.120 nan 0.000 0.295 565 V C 0.335 176.362 176.094 -0.111 0.000 1.057 565 V CA -1.245 60.981 62.300 -0.122 0.000 1.012 565 V CB 1.607 33.381 31.823 -0.082 0.000 1.006 565 V HN -0.170 7.911 8.190 -0.183 0.000 0.477 566 A N 5.406 128.174 122.820 -0.088 0.000 2.553 566 A HA -0.064 nan 4.320 nan 0.000 0.258 566 A C 0.229 177.774 177.584 -0.065 0.000 1.069 566 A CA 1.019 53.010 52.037 -0.078 0.000 0.767 566 A CB -0.305 18.660 19.000 -0.059 0.000 0.997 566 A HN 0.422 8.526 8.150 -0.077 0.000 0.512 567 G N 2.333 111.091 108.800 -0.071 0.000 3.421 567 G HA2 -0.160 nan 3.960 nan 0.000 0.686 567 G HA3 -0.160 nan 3.960 nan 0.000 0.686 567 G C -1.503 173.364 174.900 -0.056 0.000 1.056 567 G CA -0.724 44.343 45.100 -0.056 0.000 0.891 567 G HN -0.178 8.059 8.290 -0.088 0.000 0.514 568 L N 1.652 122.846 121.223 -0.050 0.000 2.307 568 L HA 0.127 nan 4.340 nan 0.000 0.282 568 L C 0.205 177.064 176.870 -0.019 0.000 1.051 568 L CA -0.435 54.385 54.840 -0.034 0.000 0.804 568 L CB 1.317 43.358 42.059 -0.030 0.000 1.197 568 L HN 0.084 8.285 8.230 -0.049 0.000 0.431 569 S N 2.270 117.963 115.700 -0.012 0.000 2.480 569 S HA 0.110 nan 4.470 nan 0.000 0.286 569 S C -0.362 174.240 174.600 0.003 0.000 1.180 569 S CA -0.406 57.789 58.200 -0.007 0.000 1.075 569 S CB 1.091 64.285 63.200 -0.009 0.000 0.996 569 S HN 0.152 8.455 8.310 -0.012 0.000 0.487 570 E N 4.867 125.068 120.200 0.002 0.000 2.051 570 E HA -0.170 nan 4.350 nan 0.000 0.189 570 E C 0.446 177.050 176.600 0.005 0.000 0.979 570 E CA 0.888 57.292 56.400 0.006 0.000 0.803 570 E CB 0.671 30.372 29.700 0.000 0.000 0.761 570 E HN 0.473 8.831 8.360 -0.004 0.000 0.451 571 N N 0.353 119.053 118.700 -0.001 0.000 2.442 571 N HA -0.078 nan 4.740 nan 0.000 0.265 571 N C -1.620 173.897 175.510 0.012 0.000 1.138 571 N CA -0.655 52.394 53.050 -0.002 0.000 0.956 571 N CB 0.435 38.912 38.487 -0.017 0.000 1.067 571 N HN -0.184 8.194 8.380 -0.004 0.000 0.474 572 A N 5.080 127.916 122.820 0.027 0.000 2.444 572 A HA 0.015 nan 4.320 nan 0.000 0.287 572 A C -1.303 176.331 177.584 0.083 0.000 1.195 572 A CA 0.302 52.371 52.037 0.053 0.000 0.858 572 A CB 0.115 19.154 19.000 0.064 0.000 1.117 572 A HN 0.450 8.613 8.150 0.022 0.000 0.521 573 V N 5.031 124.992 119.914 0.077 0.000 2.443 573 V HA 0.247 nan 4.120 nan 0.000 0.272 573 V C 0.224 176.379 176.094 0.101 0.000 1.002 573 V CA -0.680 61.674 62.300 0.090 0.000 0.840 573 V CB 0.285 32.123 31.823 0.024 0.000 1.042 573 V HN -0.043 8.182 8.190 0.057 0.000 0.446 574 C N 0.623 120.009 119.300 0.143 0.000 4.340 574 C HA -0.392 nan 4.460 nan 0.000 0.294 574 C C 1.112 176.167 174.990 0.109 0.000 1.721 574 C CA 1.380 60.468 59.018 0.116 0.000 2.095 574 C CB -1.558 26.248 27.740 0.110 0.000 1.894 574 C HN 0.470 8.832 8.230 0.221 0.000 0.707 575 S N -1.136 114.615 115.700 0.085 0.000 2.605 575 S HA -0.045 nan 4.470 nan 0.000 0.217 575 S C 0.925 175.556 174.600 0.052 0.000 0.958 575 S CA 1.559 59.797 58.200 0.063 0.000 0.919 575 S CB -0.176 63.048 63.200 0.039 0.000 0.780 575 S HN -0.185 8.202 8.310 0.086 -0.025 0.507 576 D N 4.315 124.752 120.400 0.061 0.000 2.078 576 D HA -0.208 nan 4.640 nan 0.000 0.193 576 D C 0.663 176.995 176.300 0.054 0.000 0.990 576 D CA 2.480 56.509 54.000 0.048 0.000 0.827 576 D CB 0.005 40.833 40.800 0.046 0.000 0.975 576 D HN 0.009 8.384 8.370 0.074 0.039 0.451 577 A N -0.055 122.818 122.820 0.088 0.000 2.916 577 A HA 0.182 nan 4.320 nan 0.000 0.254 577 A C 0.960 178.631 177.584 0.144 0.000 1.544 577 A CA -0.617 51.487 52.037 0.112 0.000 1.224 577 A CB -1.560 17.556 19.000 0.193 0.000 1.012 577 A HN -0.295 7.856 8.150 0.099 0.058 0.636 578 V N -2.589 117.380 119.914 0.092 0.000 2.380 578 V HA -0.418 nan 4.120 nan 0.000 0.251 578 V C 1.180 177.386 176.094 0.186 0.000 1.063 578 V CA 2.492 64.840 62.300 0.079 0.000 1.055 578 V CB -1.086 30.708 31.823 -0.049 0.000 0.657 578 V HN -0.349 7.801 8.190 0.057 0.075 0.455 579 S N 2.816 118.639 115.700 0.206 0.000 2.349 579 S HA -0.257 nan 4.470 nan 0.000 0.216 579 S C 1.630 176.632 174.600 0.670 0.000 1.033 579 S CA 3.140 61.596 58.200 0.427 0.000 1.021 579 S CB 0.084 63.375 63.200 0.152 0.000 0.968 579 S HN 0.164 8.428 8.310 0.089 0.099 0.426 580 Y N -2.621 117.891 120.300 0.352 0.000 2.583 580 Y HA 0.031 nan 4.550 nan 0.000 0.293 580 Y C 0.070 176.276 175.900 0.511 0.000 1.157 580 Y CA -0.107 58.176 58.100 0.305 0.000 1.315 580 Y CB -0.285 38.238 38.460 0.105 0.000 1.021 580 Y HN 0.076 8.510 8.280 0.258 0.000 0.536 581 C N -4.823 114.889 119.300 0.686 0.000 3.217 581 C HA 0.345 nan 4.460 nan 0.000 0.220 581 C C -0.219 175.067 174.990 0.492 0.000 2.519 581 C CA -0.328 59.086 59.018 0.660 0.000 1.255 581 C CB 3.232 31.323 27.740 0.584 0.000 1.291 581 C HN -0.643 7.843 8.230 0.603 0.105 0.714 582 G N 0.220 109.238 108.800 0.364 0.000 2.240 582 G HA2 -0.089 nan 3.960 nan 0.000 0.199 582 G HA3 -0.089 nan 3.960 nan 0.000 0.199 582 G C -2.683 172.304 174.900 0.145 0.000 1.342 582 G CA -0.080 45.178 45.100 0.264 0.000 1.145 582 G HN 0.126 8.616 8.290 0.333 0.000 0.477 583 A N 0.124 123.005 122.820 0.101 0.000 2.609 583 A HA 0.225 nan 4.320 nan 0.000 0.291 583 A C -1.737 175.865 177.584 0.030 0.000 1.096 583 A CA -0.887 51.181 52.037 0.053 0.000 0.684 583 A CB 2.832 21.846 19.000 0.024 0.000 1.282 583 A HN 0.056 8.277 8.150 0.118 0.000 0.412 584 R N -0.164 120.341 120.500 0.008 0.000 2.407 584 R HA 0.106 nan 4.340 nan 0.000 0.303 584 R C -0.737 175.553 176.300 -0.017 0.000 0.981 584 R CA -0.258 55.832 56.100 -0.017 0.000 0.905 584 R CB 0.981 31.262 30.300 -0.033 0.000 1.099 584 R HN 0.345 8.622 8.270 0.012 0.000 0.459 585 D N 0.624 121.009 120.400 -0.024 0.000 2.713 585 D HA -0.319 nan 4.640 nan 0.000 0.231 585 D C -1.336 174.961 176.300 -0.005 0.000 1.173 585 D CA 1.542 55.533 54.000 -0.016 0.000 0.628 585 D CB -0.468 40.324 40.800 -0.013 0.000 1.033 585 D HN 0.293 8.639 8.370 -0.039 0.000 0.419 586 D N -1.851 118.552 120.400 0.004 0.000 2.732 586 D HA 0.217 nan 4.640 nan 0.000 0.292 586 D C -1.709 174.608 176.300 0.028 0.000 1.135 586 D CA -1.589 52.415 54.000 0.007 0.000 1.071 586 D CB 2.316 43.115 40.800 -0.002 0.000 1.457 586 D HN -0.457 7.910 8.370 0.008 0.009 0.547 587 R N -0.128 120.388 120.500 0.027 0.000 2.719 587 R HA 0.201 nan 4.340 nan 0.000 0.233 587 R C -0.915 175.434 176.300 0.083 0.000 1.257 587 R CA -1.033 55.103 56.100 0.061 0.000 1.109 587 R CB 2.052 32.377 30.300 0.042 0.000 1.447 587 R HN 0.229 8.502 8.270 0.006 0.000 0.537 588 Y N 1.513 121.823 120.300 0.018 0.000 2.637 588 Y HA 0.153 nan 4.550 nan 0.000 0.350 588 Y C -0.718 175.176 175.900 -0.011 0.000 1.069 588 Y CA -1.715 56.396 58.100 0.018 0.000 1.397 588 Y CB 0.393 38.858 38.460 0.009 0.000 1.163 588 Y HN 0.239 8.656 8.280 0.227 0.000 0.527 589 P HA -0.281 nan 4.420 nan 0.000 0.227 589 P C -1.714 175.484 177.300 -0.170 0.000 1.145 589 P CA 1.407 64.378 63.100 -0.215 0.000 0.769 589 P CB -0.103 31.466 31.700 -0.218 0.000 0.769 590 D N -3.624 116.691 120.400 -0.142 0.000 2.391 590 D HA 0.179 nan 4.640 nan 0.000 0.245 590 D C -0.462 175.844 176.300 0.010 0.000 1.069 590 D CA -2.251 51.713 54.000 -0.059 0.000 0.831 590 D CB 2.602 43.413 40.800 0.017 0.000 1.204 590 D HN -0.542 7.648 8.370 -0.107 0.116 0.503 591 K N 6.339 126.674 120.400 -0.108 0.000 2.059 591 K HA -0.346 nan 4.320 nan 0.000 0.212 591 K C 0.623 177.118 176.600 -0.175 0.000 1.050 591 K CA 1.933 58.133 56.287 -0.144 0.000 0.927 591 K CB 0.266 32.641 32.500 -0.208 0.000 0.714 591 K HN -0.088 8.068 8.250 -0.157 0.000 0.447 592 K N -2.327 117.915 120.400 -0.263 0.000 2.168 592 K HA -0.021 nan 4.320 nan 0.000 0.258 592 K C -0.090 176.389 176.600 -0.202 0.000 1.010 592 K CA -0.479 55.574 56.287 -0.390 0.000 0.929 592 K CB 0.580 32.526 32.500 -0.923 0.000 0.998 592 K HN -0.620 7.765 8.250 -0.237 -0.277 0.479 593 A N 2.180 124.908 122.820 -0.153 0.000 2.540 593 A HA -0.061 nan 4.320 nan 0.000 0.239 593 A C -0.130 177.383 177.584 -0.119 0.000 1.061 593 A CA 0.429 52.416 52.037 -0.083 0.000 0.758 593 A CB 0.480 19.516 19.000 0.059 0.000 0.991 593 A HN 0.438 8.485 8.150 -0.172 0.000 0.502 594 M N 3.477 122.849 119.600 -0.379 0.000 2.427 594 M HA -0.281 nan 4.480 nan 0.000 0.345 594 M C 0.869 176.878 176.300 -0.486 0.000 1.653 594 M CA 1.951 56.780 55.300 -0.785 0.000 1.138 594 M CB -0.587 31.057 32.600 -1.594 0.000 1.995 594 M HN 0.430 8.481 8.290 -0.397 0.000 0.459 595 G N 1.339 110.108 108.800 -0.051 0.000 3.134 595 G HA2 -0.192 nan 3.960 nan 0.000 0.195 595 G HA3 -0.192 nan 3.960 nan 0.000 0.195 595 G C -0.679 174.405 174.900 0.306 0.000 1.054 595 G CA -0.534 44.756 45.100 0.317 0.000 0.828 595 G HN -0.061 8.220 8.290 -0.015 0.000 0.462 596 F N 5.392 125.360 119.950 0.029 0.000 2.548 596 F HA -0.148 nan 4.527 nan 0.000 0.403 596 F C -1.787 173.846 175.800 -0.277 0.000 1.004 596 F CA -0.262 57.647 58.000 -0.153 0.000 1.177 596 F CB 0.836 39.735 39.000 -0.168 0.000 0.974 596 F HN -0.323 8.147 8.300 0.283 0.000 0.541 597 P HA -0.199 nan 4.420 nan 0.000 0.223 597 P C 0.039 176.785 177.300 -0.923 0.000 1.151 597 P CA 2.008 64.095 63.100 -1.688 0.000 0.787 597 P CB 0.144 30.783 31.700 -1.768 0.000 0.788 598 F N -2.292 117.403 119.950 -0.425 0.000 2.757 598 F HA 0.046 nan 4.527 nan 0.000 0.292 598 F C -0.062 175.717 175.800 -0.034 0.000 1.204 598 F CA -0.955 56.838 58.000 -0.346 0.000 1.417 598 F CB -1.970 36.605 39.000 -0.707 0.000 1.001 598 F HN 0.129 7.794 8.300 -0.833 0.135 0.508 599 D N 0.302 120.815 120.400 0.189 0.000 2.137 599 D HA -0.159 nan 4.640 nan 0.000 0.202 599 D C 0.592 177.006 176.300 0.190 0.000 0.970 599 D CA 2.435 56.595 54.000 0.266 0.000 0.837 599 D CB 0.246 41.240 40.800 0.324 0.000 0.981 599 D HN -0.078 8.272 8.370 0.142 0.105 0.475 600 R N -1.412 119.177 120.500 0.149 0.000 2.602 600 R HA 0.169 nan 4.340 nan 0.000 0.237 600 R C -1.314 174.985 176.300 -0.002 0.000 1.219 600 R CA -1.106 55.008 56.100 0.025 0.000 1.121 600 R CB 1.692 31.910 30.300 -0.136 0.000 1.408 600 R HN -0.888 7.521 8.270 0.231 0.000 0.559 601 K N -0.222 120.155 120.400 -0.038 0.000 2.401 601 K HA -0.133 nan 4.320 nan 0.000 0.278 601 K C -0.155 176.432 176.600 -0.021 0.000 1.018 601 K CA 0.893 57.163 56.287 -0.027 0.000 0.981 601 K CB 0.129 32.610 32.500 -0.032 0.000 0.933 601 K HN 0.182 8.395 8.250 -0.062 0.000 0.477 602 I N 6.700 127.246 120.570 -0.041 0.000 2.382 602 I HA 0.002 nan 4.170 nan 0.000 0.286 602 I C -0.925 175.192 176.117 -0.000 0.000 1.002 602 I CA -0.678 60.590 61.300 -0.054 0.000 1.135 602 I CB 1.061 38.920 38.000 -0.236 0.000 1.288 602 I HN 0.315 8.840 8.210 -0.039 -0.339 0.448 603 E N 6.285 126.513 120.200 0.046 0.000 2.435 603 E HA -0.099 nan 4.350 nan 0.000 0.195 603 E C -0.462 176.171 176.600 0.054 0.000 1.029 603 E CA 0.450 56.879 56.400 0.047 0.000 0.865 603 E CB 0.236 29.971 29.700 0.059 0.000 0.833 603 E HN 0.397 8.803 8.360 0.076 0.000 0.510 604 A N -2.545 120.321 122.820 0.075 0.000 2.322 604 A HA 0.166 nan 4.320 nan 0.000 0.269 604 A C 0.157 177.776 177.584 0.059 0.000 1.094 604 A CA 0.020 52.112 52.037 0.092 0.000 0.807 604 A CB 0.957 20.059 19.000 0.170 0.000 1.047 604 A HN -0.449 7.675 8.150 0.079 0.074 0.487 605 R N -1.776 118.757 120.500 0.055 0.000 2.265 605 R HA 0.130 nan 4.340 nan 0.000 0.194 605 R C 0.203 176.522 176.300 0.032 0.000 0.931 605 R CA -0.064 56.055 56.100 0.032 0.000 1.032 605 R CB 0.376 30.690 30.300 0.023 0.000 0.980 605 R HN -0.085 8.739 8.270 0.066 -0.514 0.497 606 T N -1.841 112.748 114.554 0.059 0.000 2.893 606 T HA 0.333 nan 4.350 nan 0.000 0.291 606 T C -0.622 174.158 174.700 0.134 0.000 1.028 606 T CA -1.837 60.300 62.100 0.061 0.000 0.995 606 T CB 2.806 71.694 68.868 0.034 0.000 1.051 606 T HN -0.629 7.892 8.240 0.076 -0.236 0.470 607 A N 7.829 130.734 122.820 0.143 0.000 2.093 607 A HA -0.240 nan 4.320 nan 0.000 0.222 607 A C 0.627 178.362 177.584 0.251 0.000 1.162 607 A CA 2.896 55.111 52.037 0.297 0.000 0.655 607 A CB -0.246 18.896 19.000 0.237 0.000 0.805 607 A HN 0.533 8.732 8.150 0.080 0.000 0.461 608 A N -2.383 120.502 122.820 0.108 0.000 1.929 608 A HA -0.208 nan 4.320 nan 0.000 0.216 608 A C 2.397 180.069 177.584 0.145 0.000 1.176 608 A CA 2.290 54.375 52.037 0.079 0.000 0.628 608 A CB 0.121 19.137 19.000 0.026 0.000 0.816 608 A HN -0.273 7.890 8.150 0.069 0.028 0.444 609 E N -0.156 120.146 120.200 0.170 0.000 2.153 609 E HA -0.321 nan 4.350 nan 0.000 0.194 609 E C 1.756 178.504 176.600 0.246 0.000 0.988 609 E CA 2.350 58.853 56.400 0.172 0.000 0.811 609 E CB -0.136 29.659 29.700 0.159 0.000 0.746 609 E HN -0.414 7.930 8.360 0.160 0.112 0.466 610 F N -2.661 117.383 119.950 0.156 0.000 2.699 610 F HA -0.171 nan 4.527 nan 0.000 0.298 610 F C -0.545 175.383 175.800 0.215 0.000 1.154 610 F CA 0.587 58.698 58.000 0.185 0.000 1.457 610 F CB 0.754 39.913 39.000 0.265 0.000 1.106 610 F HN -0.929 7.632 8.300 0.465 0.018 0.585 611 L N 1.122 122.497 121.223 0.253 0.000 2.530 611 L HA -0.152 nan 4.340 nan 0.000 0.273 611 L C -0.913 175.976 176.870 0.031 0.000 1.141 611 L CA 0.134 55.078 54.840 0.174 0.000 0.905 611 L CB 0.316 42.454 42.059 0.131 0.000 1.202 611 L HN -0.705 7.489 8.230 0.262 0.193 0.473 612 T N 3.566 118.104 114.554 -0.028 0.000 2.918 612 T HA 0.484 nan 4.350 nan 0.000 0.283 612 T C -0.678 174.038 174.700 0.027 0.000 1.001 612 T CA -2.940 59.140 62.100 -0.034 0.000 1.041 612 T CB -0.086 68.725 68.868 -0.095 0.000 1.028 612 T HN -0.417 7.785 8.240 -0.063 0.000 0.511 613 P HA -0.046 nan 4.420 nan 0.000 0.236 613 P C -0.990 176.348 177.300 0.064 0.000 1.172 613 P CA 1.546 64.670 63.100 0.040 0.000 0.759 613 P CB -0.401 31.311 31.700 0.020 0.000 0.843 614 N N -6.257 112.491 118.700 0.081 0.000 2.328 614 N HA 0.097 nan 4.740 nan 0.000 0.247 614 N C -1.800 173.779 175.510 0.115 0.000 1.165 614 N CA -1.021 52.105 53.050 0.127 0.000 0.873 614 N CB 0.130 38.745 38.487 0.212 0.000 1.125 614 N HN 0.194 8.534 8.380 0.057 0.074 0.513 615 M N -0.773 118.913 119.600 0.142 0.000 2.619 615 M HA 0.530 nan 4.480 nan 0.000 0.297 615 M C -1.462 175.020 176.300 0.304 0.000 1.229 615 M CA -0.355 55.108 55.300 0.271 0.000 0.860 615 M CB 5.334 38.145 32.600 0.352 0.000 1.741 615 M HN -0.004 8.211 8.290 0.124 0.150 0.462 616 G N 0.209 109.248 108.800 0.399 0.000 2.635 616 G HA2 0.223 nan 3.960 nan 0.000 0.295 616 G HA3 0.223 nan 3.960 nan 0.000 0.295 616 G C -3.003 171.935 174.900 0.064 0.000 1.359 616 G CA 0.403 45.599 45.100 0.160 0.000 1.232 616 G HN 0.234 8.931 8.290 0.679 0.000 0.597 617 L N 3.400 124.484 121.223 -0.231 0.000 2.292 617 L HA 0.580 nan 4.340 nan 0.000 0.284 617 L C -0.635 176.214 176.870 -0.036 0.000 1.065 617 L CA -0.403 54.288 54.840 -0.249 0.000 0.806 617 L CB 1.184 42.993 42.059 -0.417 0.000 1.175 617 L HN 0.263 8.348 8.230 -0.241 0.000 0.431 618 T N 6.343 120.935 114.554 0.063 0.000 2.892 618 T HA 0.285 nan 4.350 nan 0.000 0.311 618 T C -1.300 173.449 174.700 0.082 0.000 1.033 618 T CA -0.658 61.492 62.100 0.084 0.000 0.991 618 T CB 0.900 69.857 68.868 0.149 0.000 0.981 618 T HN 0.485 8.679 8.240 0.118 0.117 0.457 619 D N 6.191 126.613 120.400 0.037 0.000 2.371 619 D HA 0.047 nan 4.640 nan 0.000 0.256 619 D C -0.731 175.603 176.300 0.056 0.000 1.193 619 D CA -0.168 53.851 54.000 0.032 0.000 0.881 619 D CB 0.274 41.062 40.800 -0.020 0.000 1.143 619 D HN 0.211 8.592 8.370 0.019 0.000 0.473 620 I N -3.728 116.897 120.570 0.091 0.000 2.785 620 I HA 0.480 nan 4.170 nan 0.000 0.302 620 I C -1.455 174.732 176.117 0.116 0.000 1.069 620 I CA -2.880 58.467 61.300 0.079 0.000 1.045 620 I CB 3.394 41.424 38.000 0.050 0.000 1.236 620 I HN -0.435 7.846 8.210 0.118 0.000 0.429 621 K N 1.179 121.617 120.400 0.064 0.000 2.118 621 K HA 0.748 nan 4.320 nan 0.000 0.254 621 K C -1.005 175.587 176.600 -0.014 0.000 0.961 621 K CA -2.334 54.002 56.287 0.082 0.000 0.876 621 K CB 1.817 34.345 32.500 0.048 0.000 1.077 621 K HN 0.421 8.576 8.250 0.027 0.112 0.440 622 I N 1.123 121.692 120.570 -0.002 0.000 2.498 622 I HA 0.553 nan 4.170 nan 0.000 0.290 622 I C -2.070 174.045 176.117 -0.002 0.000 1.032 622 I CA -0.972 60.267 61.300 -0.101 0.000 1.073 622 I CB 2.969 40.795 38.000 -0.291 0.000 1.251 622 I HN 0.733 9.019 8.210 0.127 0.000 0.426 623 K N 3.419 123.817 120.400 -0.003 0.000 2.471 623 K HA 0.554 nan 4.320 nan 0.000 0.252 623 K C -1.596 175.066 176.600 0.103 0.000 0.938 623 K CA -2.370 53.938 56.287 0.035 0.000 0.796 623 K CB 3.038 35.521 32.500 -0.030 0.000 1.161 623 K HN 0.517 8.748 8.250 -0.031 0.000 0.425 624 F N 6.650 126.618 119.950 0.029 0.000 2.502 624 F HA -0.045 nan 4.527 nan 0.000 0.371 624 F C -1.470 174.426 175.800 0.160 0.000 1.083 624 F CA -1.169 56.864 58.000 0.054 0.000 1.174 624 F CB 0.554 39.556 39.000 0.003 0.000 1.096 624 F HN 0.304 8.637 8.300 0.271 0.130 0.545 625 H N 10.814 129.518 119.070 -0.610 0.000 3.215 625 H HA -0.053 nan 4.556 nan 0.000 0.253 625 H C -0.305 174.377 175.328 -1.077 0.000 1.102 625 H CA -0.006 55.699 56.048 -0.572 0.000 1.482 625 H CB -0.181 29.356 29.762 -0.375 0.000 1.542 625 H HN 0.168 8.136 8.280 -0.346 0.104 0.498 626 G N 0.000 108.211 108.800 -0.982 0.000 5.446 626 G HA2 0.000 nan 3.960 nan 0.000 0.244 626 G HA3 0.000 nan 3.960 nan 0.000 0.244 626 G CA 0.000 44.668 45.100 -0.719 0.000 0.502 626 G HN 0.000 7.995 8.290 -0.492 0.000 0.925