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 2c0c_1_A DATA FIRST_RESID 10 DATA SEQUENCE GVDLGTENLY FQSMMQKLVV TRLSPNFREA VTLSRDCPVP LPGDGDLLVR DATA SEQUENCE NRFVGVNASD INYSAGRYDP SVKPPFDIGF EGIGEVVALG LSASARYTVG DATA SEQUENCE QAVAYMAPGS FAEYTVVPAS IATPVPSVKP EYLTLLVSGT TAYISLKELG DATA SEQUENCE GLSEGKKVLV TAAAGGTGQF AMQLSKKAKC HVIGTCSSDE KSAFLKSLGC DATA SEQUENCE DRPINYKTEP VGTVLKQEYP EGVDVVYESV GGAMFDLAVD ALATKGRLIV DATA SEQUENCE IGFISGYQTP TGLSPVKAGT LPAKLLKKSA SVQGFFLNHY LSKYQAAMSH DATA SEQUENCE LLEMCVSGDL VCEVDLGDLS PEGRFTGLES IFRAVNYMYM GKNTGKIVVE DATA SEQUENCE LPH 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 10 G HA2 0.000 nan 3.960 nan 0.000 0.244 10 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 10 G C 0.000 174.911 174.900 0.019 0.000 0.946 10 G CA 0.000 45.109 45.100 0.015 0.000 0.502 11 V N 2.815 122.741 119.914 0.020 0.000 2.585 11 V HA 0.332 4.452 4.120 0.001 0.000 0.296 11 V C -0.126 175.986 176.094 0.029 0.000 1.035 11 V CA -0.095 62.220 62.300 0.025 0.000 1.084 11 V CB 1.445 33.284 31.823 0.026 0.000 0.953 11 V HN 0.400 nan 8.190 nan 0.000 0.483 12 D N 4.362 124.782 120.400 0.034 0.000 2.336 12 D HA 0.184 4.824 4.640 0.001 0.000 0.249 12 D C 0.586 176.913 176.300 0.046 0.000 1.213 12 D CA 0.082 54.106 54.000 0.041 0.000 0.870 12 D CB 0.843 41.670 40.800 0.045 0.000 1.076 12 D HN 0.462 nan 8.370 nan 0.000 0.483 13 L N 2.967 124.216 121.223 0.043 0.000 2.628 13 L HA 0.270 4.610 4.340 0.001 0.000 0.229 13 L C 1.547 178.446 176.870 0.049 0.000 1.137 13 L CA 0.051 54.918 54.840 0.044 0.000 0.909 13 L CB -0.096 41.983 42.059 0.034 0.000 1.137 13 L HN 0.716 nan 8.230 nan 0.000 0.470 14 G N 0.729 109.564 108.800 0.059 0.000 2.147 14 G HA2 -0.350 3.611 3.960 0.001 0.000 0.244 14 G HA3 -0.350 3.611 3.960 0.001 0.000 0.244 14 G C 0.965 175.909 174.900 0.074 0.000 1.005 14 G CA 0.695 45.838 45.100 0.073 0.000 0.713 14 G HN 0.420 nan 8.290 nan 0.000 0.515 15 T N -2.615 111.978 114.554 0.064 0.000 2.867 15 T HA 0.011 4.362 4.350 0.001 0.000 0.268 15 T C 1.829 176.585 174.700 0.094 0.000 1.057 15 T CA 1.638 63.774 62.100 0.060 0.000 1.136 15 T CB -0.015 68.878 68.868 0.041 0.000 0.874 15 T HN 0.298 nan 8.240 nan 0.000 0.466 16 E N 1.821 122.094 120.200 0.122 0.000 2.051 16 E HA -0.095 4.255 4.350 0.001 0.000 0.192 16 E C 2.318 179.103 176.600 0.308 0.000 0.991 16 E CA 0.986 57.514 56.400 0.213 0.000 0.799 16 E CB -0.529 29.298 29.700 0.213 0.000 0.748 16 E HN 0.503 nan 8.360 nan 0.000 0.449 17 N N 1.180 120.014 118.700 0.224 0.000 2.037 17 N HA -0.181 4.559 4.740 0.001 0.000 0.196 17 N C 2.130 177.732 175.510 0.154 0.000 1.034 17 N CA 0.960 54.136 53.050 0.210 0.000 0.861 17 N CB -0.668 37.911 38.487 0.153 0.000 1.039 17 N HN 0.171 nan 8.380 nan 0.000 0.427 18 L N -0.524 120.750 121.223 0.085 0.000 2.079 18 L HA -0.203 4.138 4.340 0.001 0.000 0.210 18 L C 2.309 179.151 176.870 -0.047 0.000 1.081 18 L CA 1.105 55.941 54.840 -0.005 0.000 0.752 18 L CB -0.494 41.561 42.059 -0.007 0.000 0.896 18 L HN 0.192 nan 8.230 nan 0.000 0.433 19 Y N -0.046 120.175 120.300 -0.131 0.000 2.145 19 Y HA -0.276 4.274 4.550 0.001 0.000 0.286 19 Y C 2.083 177.751 175.900 -0.387 0.000 1.145 19 Y CA 1.742 59.648 58.100 -0.322 0.000 1.148 19 Y CB -0.159 37.988 38.460 -0.522 0.000 0.981 19 Y HN -0.017 nan 8.280 nan 0.000 0.507 20 F N -0.375 119.641 119.950 0.109 0.000 2.530 20 F HA 0.156 4.684 4.527 0.001 0.000 0.292 20 F C 0.858 176.637 175.800 -0.035 0.000 1.109 20 F CA 0.333 58.374 58.000 0.068 0.000 1.450 20 F CB -0.190 38.919 39.000 0.182 0.000 1.114 20 F HN -0.110 nan 8.300 nan 0.000 0.560 21 Q N 0.603 120.462 119.800 0.098 0.000 2.673 21 Q HA 0.149 4.490 4.340 0.001 0.000 0.224 21 Q C 1.031 176.915 176.000 -0.193 0.000 1.226 21 Q CA -0.117 55.671 55.803 -0.025 0.000 1.019 21 Q CB 0.659 29.395 28.738 -0.003 0.000 1.312 21 Q HN 0.264 nan 8.270 nan 0.000 0.566 22 S N 1.547 117.149 115.700 -0.164 0.000 2.468 22 S HA 0.201 4.671 4.470 0.001 0.000 0.226 22 S C 0.731 175.229 174.600 -0.169 0.000 1.051 22 S CA 0.080 58.160 58.200 -0.198 0.000 0.943 22 S CB 0.460 63.538 63.200 -0.202 0.000 0.810 22 S HN 0.396 nan 8.310 nan 0.000 0.509 23 M N 1.217 120.747 119.600 -0.118 0.000 2.644 23 M HA 0.693 5.173 4.480 0.001 0.000 0.304 23 M C -0.846 175.442 176.300 -0.021 0.000 1.215 23 M CA -0.706 54.553 55.300 -0.069 0.000 0.871 23 M CB 2.455 35.033 32.600 -0.038 0.000 1.740 23 M HN 0.479 nan 8.290 nan 0.000 0.464 24 M N -0.518 119.094 119.600 0.021 0.000 2.949 24 M HA 0.504 4.984 4.480 0.001 0.000 0.270 24 M C -2.091 174.256 176.300 0.078 0.000 1.221 24 M CA -1.053 54.307 55.300 0.099 0.000 0.818 24 M CB 2.123 34.846 32.600 0.205 0.000 1.635 24 M HN 0.550 nan 8.290 nan 0.000 0.492 25 Q N 1.330 121.184 119.800 0.090 0.000 2.214 25 Q HA 0.722 5.063 4.340 0.001 0.000 0.251 25 Q C -1.312 174.737 176.000 0.082 0.000 0.936 25 Q CA -0.844 55.001 55.803 0.070 0.000 0.894 25 Q CB 2.203 30.975 28.738 0.057 0.000 1.252 25 Q HN 0.672 nan 8.270 nan 0.000 0.448 26 K N 0.038 120.482 120.400 0.073 0.000 2.575 26 K HA 0.469 4.790 4.320 0.001 0.000 0.279 26 K C -1.534 175.113 176.600 0.078 0.000 0.969 26 K CA -0.839 55.498 56.287 0.084 0.000 0.868 26 K CB 0.959 33.513 32.500 0.090 0.000 1.457 26 K HN 0.410 nan 8.250 nan 0.000 0.426 27 L N 1.866 123.146 121.223 0.096 0.000 2.334 27 L HA 0.573 4.913 4.340 0.001 0.000 0.277 27 L C -0.719 176.181 176.870 0.050 0.000 1.075 27 L CA -1.227 53.661 54.840 0.079 0.000 0.804 27 L CB 1.602 43.715 42.059 0.091 0.000 1.174 27 L HN 0.400 nan 8.230 nan 0.000 0.438 28 V N 3.228 123.136 119.914 -0.011 0.000 2.686 28 V HA 0.233 4.353 4.120 0.001 0.000 0.306 28 V C -0.034 175.948 176.094 -0.186 0.000 1.065 28 V CA -0.735 61.522 62.300 -0.072 0.000 0.894 28 V CB 2.352 34.145 31.823 -0.051 0.000 1.004 28 V HN 0.396 nan 8.190 nan 0.000 0.424 29 V N 4.611 124.320 119.914 -0.341 0.000 2.421 29 V HA 0.123 4.243 4.120 0.001 0.000 0.271 29 V C 1.457 177.279 176.094 -0.454 0.000 1.031 29 V CA 1.049 63.030 62.300 -0.532 0.000 1.032 29 V CB 0.800 31.992 31.823 -1.051 0.000 1.009 29 V HN 1.142 nan 8.190 nan 0.000 0.477 30 T N 2.051 116.433 114.554 -0.287 0.000 2.990 30 T HA 0.229 4.579 4.350 0.001 0.000 0.250 30 T C 0.651 175.254 174.700 -0.160 0.000 1.041 30 T CA -0.133 61.852 62.100 -0.192 0.000 1.010 30 T CB 0.403 69.199 68.868 -0.120 0.000 1.003 30 T HN 0.502 nan 8.240 nan 0.000 0.499 31 R N 0.616 121.013 120.500 -0.172 0.000 2.584 31 R HA 0.499 4.840 4.340 0.001 0.000 0.276 31 R C -1.592 174.637 176.300 -0.117 0.000 1.046 31 R CA -0.839 55.193 56.100 -0.114 0.000 0.906 31 R CB 1.434 31.687 30.300 -0.078 0.000 1.215 31 R HN 0.213 nan 8.270 nan 0.000 0.449 32 L N 2.957 124.140 121.223 -0.067 0.000 2.418 32 L HA 0.318 4.658 4.340 0.001 0.000 0.274 32 L C 0.132 176.993 176.870 -0.014 0.000 1.135 32 L CA 0.244 55.067 54.840 -0.028 0.000 0.870 32 L CB 1.219 43.292 42.059 0.024 0.000 1.154 32 L HN 0.634 nan 8.230 nan 0.000 0.462 33 S N 4.039 119.735 115.700 -0.007 0.000 2.558 33 S HA 0.426 4.897 4.470 0.001 0.000 0.277 33 S C -2.380 172.244 174.600 0.039 0.000 1.143 33 S CA -0.845 57.362 58.200 0.013 0.000 0.865 33 S CB 2.098 65.298 63.200 -0.001 0.000 1.102 33 S HN 0.392 nan 8.310 nan 0.000 0.454 34 P HA 0.052 nan 4.420 nan 0.000 0.245 34 P C -0.161 177.179 177.300 0.067 0.000 1.212 34 P CA 0.174 63.318 63.100 0.075 0.000 0.774 34 P CB -0.292 31.450 31.700 0.070 0.000 0.999 35 N N 0.306 119.043 118.700 0.061 0.000 2.415 35 N HA 0.028 4.768 4.740 0.001 0.000 0.246 35 N C 0.489 176.080 175.510 0.135 0.000 1.078 35 N CA -0.443 52.657 53.050 0.083 0.000 0.942 35 N CB 0.115 38.636 38.487 0.056 0.000 1.140 35 N HN -0.139 nan 8.380 nan 0.000 0.501 36 F N 4.271 124.251 119.950 0.050 0.000 2.126 36 F HA -0.158 4.369 4.527 0.001 0.000 0.299 36 F C 2.341 178.261 175.800 0.199 0.000 1.096 36 F CA 1.349 59.406 58.000 0.095 0.000 1.255 36 F CB 0.178 39.224 39.000 0.078 0.000 0.997 36 F HN 0.482 nan 8.300 nan 0.000 0.479 37 R N 1.055 121.809 120.500 0.423 0.000 2.096 37 R HA -0.202 4.139 4.340 0.001 0.000 0.235 37 R C 2.120 178.466 176.300 0.077 0.000 1.127 37 R CA 2.099 58.379 56.100 0.301 0.000 0.968 37 R CB -0.907 29.497 30.300 0.175 0.000 0.861 37 R HN 0.517 nan 8.270 nan 0.000 0.440 38 E N -1.016 119.212 120.200 0.046 0.000 2.150 38 E HA -0.101 4.249 4.350 0.001 0.000 0.193 38 E C 1.458 178.029 176.600 -0.048 0.000 0.985 38 E CA 1.067 57.463 56.400 -0.008 0.000 0.814 38 E CB -0.067 29.634 29.700 0.002 0.000 0.752 38 E HN 0.461 nan 8.360 nan 0.000 0.466 39 A N 0.309 123.080 122.820 -0.083 0.000 1.984 39 A HA 0.137 4.458 4.320 0.001 0.000 0.214 39 A C 0.832 178.281 177.584 -0.224 0.000 1.173 39 A CA 0.242 52.183 52.037 -0.159 0.000 0.673 39 A CB 0.528 19.416 19.000 -0.187 0.000 0.830 39 A HN 0.096 nan 8.150 nan 0.000 0.453 40 V N 0.537 120.309 119.914 -0.237 0.000 2.555 40 V HA 0.501 4.621 4.120 0.001 0.000 0.302 40 V C -0.466 175.657 176.094 0.047 0.000 1.038 40 V CA -0.438 61.721 62.300 -0.234 0.000 0.887 40 V CB 1.732 33.147 31.823 -0.680 0.000 0.991 40 V HN 0.245 nan 8.190 nan 0.000 0.434 41 T N 4.937 119.509 114.554 0.030 0.000 2.841 41 T HA 0.487 4.837 4.350 0.001 0.000 0.283 41 T C -0.633 174.142 174.700 0.125 0.000 1.000 41 T CA -0.394 61.752 62.100 0.076 0.000 0.977 41 T CB 1.553 70.417 68.868 -0.006 0.000 0.979 41 T HN 0.443 nan 8.240 nan 0.000 0.446 42 L N 3.709 125.036 121.223 0.172 0.000 2.369 42 L HA 0.423 4.763 4.340 0.001 0.000 0.279 42 L C -0.072 176.837 176.870 0.065 0.000 1.108 42 L CA 0.428 55.350 54.840 0.137 0.000 0.852 42 L CB -0.043 42.116 42.059 0.168 0.000 1.169 42 L HN 0.564 nan 8.230 nan 0.000 0.452 43 S N 5.574 121.305 115.700 0.051 0.000 2.489 43 S HA 0.503 4.974 4.470 0.001 0.000 0.291 43 S C 0.855 175.475 174.600 0.034 0.000 1.151 43 S CA -0.669 57.550 58.200 0.031 0.000 1.082 43 S CB 1.723 64.936 63.200 0.021 0.000 1.019 43 S HN 0.670 nan 8.310 nan 0.000 0.492 44 R N 0.637 121.151 120.500 0.024 0.000 2.344 44 R HA 0.191 4.532 4.340 0.001 0.000 0.209 44 R C -0.644 175.668 176.300 0.020 0.000 0.886 44 R CA 0.235 56.350 56.100 0.025 0.000 1.040 44 R CB 0.473 30.784 30.300 0.018 0.000 1.114 44 R HN 0.489 nan 8.270 nan 0.000 0.547 45 D N 0.117 120.524 120.400 0.012 0.000 2.945 45 D HA 0.147 4.788 4.640 0.001 0.000 0.340 45 D C -1.033 175.265 176.300 -0.004 0.000 1.240 45 D CA -0.125 53.877 54.000 0.003 0.000 0.749 45 D CB 0.678 41.477 40.800 -0.003 0.000 1.217 45 D HN 0.052 nan 8.370 nan 0.000 0.514 46 C N 1.838 121.140 119.300 0.002 0.000 2.365 46 C HA 0.468 4.928 4.460 0.001 0.000 0.351 46 C C -1.937 173.039 174.990 -0.023 0.000 1.240 46 C CA -1.457 57.558 59.018 -0.004 0.000 2.062 46 C CB 1.244 28.992 27.740 0.014 0.000 2.387 46 C HN 0.281 nan 8.230 nan 0.000 0.537 47 P HA 0.106 nan 4.420 nan 0.000 0.268 47 P C -0.539 176.712 177.300 -0.082 0.000 1.205 47 P CA 0.122 63.182 63.100 -0.067 0.000 0.771 47 P CB 0.290 31.953 31.700 -0.063 0.000 0.858 48 V N 5.787 125.612 119.914 -0.147 0.000 2.521 48 V HA 0.113 4.234 4.120 0.001 0.000 0.286 48 V C -1.407 174.603 176.094 -0.140 0.000 1.034 48 V CA -0.998 61.175 62.300 -0.211 0.000 1.045 48 V CB 0.021 31.566 31.823 -0.464 0.000 0.974 48 V HN 0.626 nan 8.190 nan 0.000 0.480 49 P HA 0.275 nan 4.420 nan 0.000 0.274 49 P C -0.866 176.395 177.300 -0.065 0.000 1.231 49 P CA -0.314 62.752 63.100 -0.056 0.000 0.790 49 P CB 0.893 32.578 31.700 -0.025 0.000 0.951 50 L N 3.726 124.916 121.223 -0.055 0.000 2.325 50 L HA 0.440 4.780 4.340 0.001 0.000 0.279 50 L C -1.794 175.053 176.870 -0.037 0.000 1.054 50 L CA -2.140 52.671 54.840 -0.048 0.000 0.804 50 L CB 1.049 43.081 42.059 -0.045 0.000 1.200 50 L HN 0.272 nan 8.230 nan 0.000 0.436 51 P HA 0.209 nan 4.420 nan 0.000 0.284 51 P C -0.134 177.149 177.300 -0.028 0.000 1.253 51 P CA -0.232 62.846 63.100 -0.035 0.000 0.800 51 P CB 1.326 33.006 31.700 -0.033 0.000 0.961 52 G N 1.129 109.911 108.800 -0.031 0.000 2.563 52 G HA2 0.017 3.978 3.960 0.001 0.000 0.283 52 G HA3 0.017 3.978 3.960 0.001 0.000 0.283 52 G C 0.656 175.544 174.900 -0.019 0.000 1.309 52 G CA -0.218 44.868 45.100 -0.023 0.000 1.022 52 G HN 0.468 nan 8.290 nan 0.000 0.501 53 D N -1.083 119.310 120.400 -0.012 0.000 2.182 53 D HA -0.050 4.590 4.640 0.001 0.000 0.201 53 D C 2.244 178.542 176.300 -0.005 0.000 0.986 53 D CA 1.788 55.785 54.000 -0.005 0.000 0.847 53 D CB -0.287 40.512 40.800 -0.001 0.000 0.942 53 D HN 0.384 nan 8.370 nan 0.000 0.467 54 G N -1.011 107.781 108.800 -0.013 0.000 3.337 54 G HA2 0.095 4.055 3.960 0.001 0.000 0.246 54 G HA3 0.095 4.055 3.960 0.001 0.000 0.246 54 G C -0.184 174.689 174.900 -0.045 0.000 1.131 54 G CA -0.329 44.761 45.100 -0.016 0.000 0.773 54 G HN 0.102 nan 8.290 nan 0.000 0.544 55 D N 0.201 120.568 120.400 -0.054 0.000 2.228 55 D HA 0.511 5.151 4.640 0.001 0.000 0.247 55 D C 0.019 176.257 176.300 -0.103 0.000 0.995 55 D CA -0.251 53.695 54.000 -0.090 0.000 0.903 55 D CB 2.311 43.065 40.800 -0.076 0.000 1.205 55 D HN -0.043 nan 8.370 nan 0.000 0.459 56 L N 0.786 121.914 121.223 -0.159 0.000 2.344 56 L HA 0.450 4.790 4.340 0.001 0.000 0.272 56 L C -0.370 176.434 176.870 -0.110 0.000 1.035 56 L CA -1.108 53.647 54.840 -0.141 0.000 0.807 56 L CB 1.130 43.057 42.059 -0.219 0.000 1.237 56 L HN 0.076 nan 8.230 nan 0.000 0.442 57 L N 2.791 123.985 121.223 -0.048 0.000 2.287 57 L HA 0.520 4.860 4.340 0.001 0.000 0.287 57 L C -0.647 176.238 176.870 0.025 0.000 1.022 57 L CA -0.136 54.701 54.840 -0.005 0.000 0.814 57 L CB 1.532 43.616 42.059 0.041 0.000 1.217 57 L HN 0.258 nan 8.230 nan 0.000 0.420 58 V N 5.100 125.010 119.914 -0.005 0.000 2.398 58 V HA 0.511 4.632 4.120 0.001 0.000 0.286 58 V C -0.052 176.046 176.094 0.007 0.000 1.026 58 V CA -0.824 61.480 62.300 0.008 0.000 0.868 58 V CB 1.460 33.266 31.823 -0.029 0.000 0.982 58 V HN 0.696 nan 8.190 nan 0.000 0.443 59 R N 4.859 125.321 120.500 -0.063 0.000 2.248 59 R HA 0.236 4.576 4.340 0.001 0.000 0.337 59 R C -0.019 176.180 176.300 -0.167 0.000 1.106 59 R CA -0.099 55.817 56.100 -0.307 0.000 0.959 59 R CB -0.489 29.580 30.300 -0.386 0.000 1.075 59 R HN 0.663 nan 8.270 nan 0.000 0.480 60 N N 3.673 122.297 118.700 -0.128 0.000 2.483 60 N HA 0.040 4.781 4.740 0.001 0.000 0.264 60 N C 0.256 175.693 175.510 -0.121 0.000 1.197 60 N CA 0.057 53.096 53.050 -0.018 0.000 0.927 60 N CB 0.868 39.384 38.487 0.048 0.000 1.065 60 N HN 0.443 nan 8.380 nan 0.000 0.461 61 R N 1.359 121.797 120.500 -0.104 0.000 2.287 61 R HA 0.262 4.602 4.340 0.001 0.000 0.197 61 R C -0.247 175.708 176.300 -0.575 0.000 0.900 61 R CA 0.394 56.304 56.100 -0.316 0.000 1.052 61 R CB 0.325 30.451 30.300 -0.290 0.000 1.117 61 R HN 0.401 nan 8.270 nan 0.000 0.568 62 F N 0.065 120.029 119.950 0.023 0.000 2.588 62 F HA 0.489 5.017 4.527 0.001 0.000 0.310 62 F C -0.027 175.791 175.800 0.030 0.000 1.082 62 F CA -1.462 56.553 58.000 0.025 0.000 0.929 62 F CB 2.009 41.025 39.000 0.026 0.000 1.254 62 F HN -0.329 nan 8.300 nan 0.000 0.455 63 V N -0.672 119.388 119.914 0.243 0.000 2.876 63 V HA 1.013 5.133 4.120 0.001 0.000 0.312 63 V C -0.370 175.846 176.094 0.203 0.000 1.085 63 V CA -0.880 61.543 62.300 0.204 0.000 0.945 63 V CB 1.369 33.366 31.823 0.291 0.000 1.017 63 V HN 0.978 nan 8.190 nan 0.000 0.428 64 G N 1.520 110.431 108.800 0.185 0.000 2.367 64 G HA2 0.588 4.548 3.960 0.001 0.000 0.314 64 G HA3 0.588 4.548 3.960 0.001 0.000 0.314 64 G C -0.815 174.225 174.900 0.234 0.000 1.130 64 G CA -0.710 44.486 45.100 0.159 0.000 0.864 64 G HN 1.010 nan 8.290 nan 0.000 0.486 65 V N 3.235 123.241 119.914 0.153 0.000 2.407 65 V HA 0.345 4.465 4.120 0.001 0.000 0.278 65 V C -0.285 175.891 176.094 0.137 0.000 1.037 65 V CA -0.912 61.467 62.300 0.131 0.000 0.900 65 V CB 1.115 32.910 31.823 -0.045 0.000 0.983 65 V HN 0.671 nan 8.190 nan 0.000 0.459 66 N N 2.636 121.446 118.700 0.185 0.000 2.258 66 N HA 0.453 5.194 4.740 0.001 0.000 0.299 66 N C 0.927 176.596 175.510 0.264 0.000 1.047 66 N CA -0.077 53.113 53.050 0.234 0.000 0.814 66 N CB 2.376 41.084 38.487 0.368 0.000 1.413 66 N HN 0.626 nan 8.380 nan 0.000 0.478 67 A N 1.587 124.563 122.820 0.261 0.000 1.927 67 A HA -0.173 4.147 4.320 0.001 0.000 0.220 67 A C 1.920 179.812 177.584 0.512 0.000 1.185 67 A CA 1.907 54.172 52.037 0.380 0.000 0.639 67 A CB -0.354 18.854 19.000 0.346 0.000 0.820 67 A HN 0.589 nan 8.150 nan 0.000 0.451 68 S N -0.383 115.566 115.700 0.415 0.000 2.607 68 S HA -0.039 4.431 4.470 0.001 0.000 0.224 68 S C 1.171 176.050 174.600 0.465 0.000 0.969 68 S CA 0.568 58.986 58.200 0.363 0.000 0.927 68 S CB -0.451 62.999 63.200 0.416 0.000 0.772 68 S HN 0.541 nan 8.310 nan 0.000 0.533 69 D N 2.204 122.821 120.400 0.362 0.000 2.172 69 D HA -0.161 4.480 4.640 0.001 0.000 0.196 69 D C 1.774 178.293 176.300 0.365 0.000 0.999 69 D CA 1.252 55.373 54.000 0.200 0.000 0.856 69 D CB -0.316 40.591 40.800 0.179 0.000 0.934 69 D HN 0.635 nan 8.370 nan 0.000 0.453 70 I N -1.798 118.987 120.570 0.360 0.000 2.761 70 I HA -0.085 4.085 4.170 0.001 0.000 0.261 70 I C 1.431 177.690 176.117 0.237 0.000 1.198 70 I CA 0.916 62.401 61.300 0.307 0.000 1.482 70 I CB -0.301 37.807 38.000 0.181 0.000 1.100 70 I HN -0.173 nan 8.210 nan 0.000 0.445 71 N N 0.452 119.290 118.700 0.229 0.000 2.188 71 N HA -0.194 4.546 4.740 0.001 0.000 0.184 71 N C 1.808 177.570 175.510 0.419 0.000 1.018 71 N CA 1.407 54.596 53.050 0.232 0.000 0.858 71 N CB -0.320 38.241 38.487 0.124 0.000 0.989 71 N HN 0.353 nan 8.380 nan 0.000 0.426 72 Y N 1.720 122.223 120.300 0.337 0.000 2.200 72 Y HA -0.196 4.355 4.550 0.001 0.000 0.290 72 Y C 2.650 178.703 175.900 0.256 0.000 1.137 72 Y CA 1.508 59.741 58.100 0.222 0.000 1.163 72 Y CB -0.348 38.069 38.460 -0.073 0.000 0.988 72 Y HN 0.094 nan 8.280 nan 0.000 0.518 73 S N -0.466 115.401 115.700 0.279 0.000 2.447 73 S HA -0.084 4.387 4.470 0.001 0.000 0.233 73 S C 1.984 176.633 174.600 0.082 0.000 1.006 73 S CA 0.658 58.925 58.200 0.110 0.000 0.957 73 S CB -0.674 62.537 63.200 0.019 0.000 0.773 73 S HN 0.400 nan 8.310 nan 0.000 0.507 74 A N 0.839 123.736 122.820 0.127 0.000 2.208 74 A HA 0.542 4.862 4.320 0.001 0.000 0.209 74 A C 1.791 179.434 177.584 0.099 0.000 1.161 74 A CA 0.577 52.672 52.037 0.097 0.000 0.782 74 A CB -1.160 17.900 19.000 0.101 0.000 0.816 74 A HN 1.534 nan 8.150 nan 0.000 0.477 75 G N -0.656 108.219 108.800 0.126 0.000 2.136 75 G HA2 -0.295 3.665 3.960 0.001 0.000 0.242 75 G HA3 -0.295 3.665 3.960 0.001 0.000 0.242 75 G C 0.876 175.804 174.900 0.046 0.000 0.989 75 G CA 0.571 45.719 45.100 0.079 0.000 0.682 75 G HN 0.551 nan 8.290 nan 0.000 0.522 76 R N -1.262 119.298 120.500 0.101 0.000 2.235 76 R HA 0.143 4.483 4.340 0.001 0.000 0.213 76 R C 1.891 178.186 176.300 -0.007 0.000 1.059 76 R CA 1.107 57.231 56.100 0.040 0.000 0.997 76 R CB -0.158 30.154 30.300 0.019 0.000 0.884 76 R HN 0.603 nan 8.270 nan 0.000 0.462 77 Y N -0.512 119.759 120.300 -0.049 0.000 2.395 77 Y HA -0.031 4.519 4.550 0.001 0.000 0.293 77 Y C 0.488 176.341 175.900 -0.079 0.000 1.123 77 Y CA 0.401 58.484 58.100 -0.028 0.000 1.227 77 Y CB 0.559 39.073 38.460 0.089 0.000 1.012 77 Y HN -0.095 nan 8.280 nan 0.000 0.552 78 D N -1.841 118.563 120.400 0.007 0.000 2.634 78 D HA 0.169 4.809 4.640 0.001 0.000 0.236 78 D C -2.484 173.775 176.300 -0.068 0.000 1.323 78 D CA -1.652 52.319 54.000 -0.048 0.000 0.884 78 D CB 0.971 41.725 40.800 -0.076 0.000 1.496 78 D HN -0.146 nan 8.370 nan 0.000 0.525 79 P HA -0.079 nan 4.420 nan 0.000 0.218 79 P C 1.062 178.352 177.300 -0.017 0.000 1.146 79 P CA 0.870 63.959 63.100 -0.018 0.000 0.813 79 P CB 0.420 32.112 31.700 -0.013 0.000 0.778 80 S N -1.449 114.234 115.700 -0.028 0.000 2.562 80 S HA 0.034 4.505 4.470 0.001 0.000 0.221 80 S C 0.800 175.384 174.600 -0.027 0.000 0.975 80 S CA 0.178 58.365 58.200 -0.021 0.000 0.918 80 S CB -0.310 62.878 63.200 -0.021 0.000 0.772 80 S HN -0.058 nan 8.310 nan 0.000 0.531 81 V N 3.010 122.887 119.914 -0.061 0.000 2.432 81 V HA 0.204 4.324 4.120 0.001 0.000 0.271 81 V C 0.258 176.363 176.094 0.019 0.000 1.046 81 V CA -0.431 61.820 62.300 -0.081 0.000 0.945 81 V CB 0.936 32.614 31.823 -0.241 0.000 0.992 81 V HN 0.067 nan 8.190 nan 0.000 0.471 82 K N 4.990 125.442 120.400 0.088 0.000 2.098 82 K HA 0.522 4.842 4.320 0.001 0.000 0.258 82 K C -2.486 174.273 176.600 0.264 0.000 0.973 82 K CA -1.646 54.732 56.287 0.152 0.000 0.898 82 K CB 1.501 34.044 32.500 0.072 0.000 1.057 82 K HN 0.581 nan 8.250 nan 0.000 0.447 83 P HA 0.120 nan 4.420 nan 0.000 0.269 83 P C -2.338 174.981 177.300 0.032 0.000 1.217 83 P CA -0.772 62.326 63.100 -0.004 0.000 0.783 83 P CB -0.274 31.329 31.700 -0.162 0.000 0.898 84 P HA 0.387 nan 4.420 nan 0.000 0.286 84 P C -1.231 176.116 177.300 0.078 0.000 1.261 84 P CA -0.177 62.883 63.100 -0.067 0.000 0.821 84 P CB 0.586 32.259 31.700 -0.044 0.000 1.013 85 F N -1.266 118.673 119.950 -0.020 0.000 2.662 85 F HA 0.555 5.083 4.527 0.001 0.000 0.312 85 F C -0.659 175.156 175.800 0.025 0.000 1.113 85 F CA -1.300 56.700 58.000 -0.000 0.000 0.951 85 F CB 0.442 39.434 39.000 -0.014 0.000 1.344 85 F HN 0.015 nan 8.300 nan 0.000 0.462 86 D N 1.216 121.795 120.400 0.298 0.000 2.377 86 D HA 0.601 5.242 4.640 0.001 0.000 0.245 86 D C -0.662 175.794 176.300 0.260 0.000 1.196 86 D CA 0.183 54.294 54.000 0.185 0.000 0.962 86 D CB 1.898 42.776 40.800 0.129 0.000 1.127 86 D HN 0.789 nan 8.370 nan 0.000 0.471 87 I N -1.764 118.853 120.570 0.079 0.000 3.195 87 I HA 0.567 4.737 4.170 0.001 0.000 0.313 87 I C -1.051 174.738 176.117 -0.547 0.000 1.237 87 I CA -0.109 61.127 61.300 -0.106 0.000 0.963 87 I CB 2.021 40.074 38.000 0.088 0.000 1.278 87 I HN 0.541 nan 8.210 nan 0.000 0.460 88 G N 3.291 111.353 108.800 -1.230 0.000 2.911 88 G HA2 -0.138 3.823 3.960 0.001 0.000 0.686 88 G HA3 -0.138 3.823 3.960 0.001 0.000 0.686 88 G C -0.873 173.434 174.900 -0.989 0.000 1.136 88 G CA -0.276 43.644 45.100 -1.968 0.000 0.764 88 G HN 0.516 nan 8.290 nan 0.000 0.626 89 F N 0.920 120.506 119.950 -0.608 0.000 2.731 89 F HA 0.330 4.857 4.527 0.001 0.000 0.298 89 F C 1.439 177.070 175.800 -0.281 0.000 1.106 89 F CA 0.781 58.544 58.000 -0.395 0.000 1.329 89 F CB 0.562 39.369 39.000 -0.321 0.000 1.100 89 F HN 0.858 nan 8.300 nan 0.000 0.592 90 E N -1.202 118.914 120.200 -0.141 0.000 2.380 90 E HA 0.627 4.977 4.350 0.001 0.000 0.281 90 E C -0.818 175.553 176.600 -0.382 0.000 0.999 90 E CA -1.085 55.142 56.400 -0.288 0.000 0.800 90 E CB 1.801 31.427 29.700 -0.123 0.000 1.228 90 E HN -0.019 nan 8.360 nan 0.000 0.436 91 G N 1.095 109.429 108.800 -0.777 0.000 2.677 91 G HA2 0.627 4.587 3.960 0.001 0.000 0.291 91 G HA3 0.627 4.587 3.960 0.001 0.000 0.291 91 G C -1.827 172.869 174.900 -0.341 0.000 1.435 91 G CA -0.806 43.998 45.100 -0.493 0.000 0.826 91 G HN 0.612 nan 8.290 nan 0.000 0.491 92 I N 0.125 120.714 120.570 0.032 0.000 2.656 92 I HA 0.795 4.966 4.170 0.001 0.000 0.292 92 I C 0.167 176.408 176.117 0.207 0.000 1.144 92 I CA -0.118 61.282 61.300 0.166 0.000 1.038 92 I CB 2.056 40.179 38.000 0.205 0.000 1.244 92 I HN 1.182 nan 8.210 nan 0.000 0.420 93 G N 5.144 114.066 108.800 0.204 0.000 2.364 93 G HA2 0.314 4.275 3.960 0.001 0.000 0.286 93 G HA3 0.314 4.275 3.960 0.001 0.000 0.286 93 G C -1.951 173.029 174.900 0.133 0.000 1.241 93 G CA -0.645 44.538 45.100 0.140 0.000 0.887 93 G HN 0.493 nan 8.290 nan 0.000 0.484 94 E N -0.308 119.945 120.200 0.089 0.000 2.231 94 E HA 0.536 4.886 4.350 0.001 0.000 0.277 94 E C -0.033 176.617 176.600 0.083 0.000 0.999 94 E CA -0.610 55.848 56.400 0.096 0.000 0.827 94 E CB 2.247 32.004 29.700 0.094 0.000 1.101 94 E HN 0.347 nan 8.360 nan 0.000 0.393 95 V N 3.735 123.706 119.914 0.095 0.000 2.485 95 V HA -0.040 4.080 4.120 0.001 0.000 0.287 95 V C 1.212 177.361 176.094 0.091 0.000 1.022 95 V CA 0.354 62.703 62.300 0.082 0.000 1.067 95 V CB 0.379 32.259 31.823 0.094 0.000 0.967 95 V HN 0.734 nan 8.190 nan 0.000 0.479 96 V N 2.246 122.220 119.914 0.099 0.000 3.085 96 V HA 0.718 4.839 4.120 0.001 0.000 0.245 96 V C 0.681 176.837 176.094 0.103 0.000 1.114 96 V CA 0.860 63.235 62.300 0.125 0.000 1.108 96 V CB 0.064 32.009 31.823 0.203 0.000 0.798 96 V HN 0.954 nan 8.190 nan 0.000 0.471 97 A N 0.577 123.445 122.820 0.079 0.000 2.610 97 A HA 0.886 5.207 4.320 0.001 0.000 0.291 97 A C -1.209 176.395 177.584 0.032 0.000 1.086 97 A CA -0.265 51.805 52.037 0.055 0.000 0.677 97 A CB 1.783 20.810 19.000 0.044 0.000 1.278 97 A HN 1.245 nan 8.150 nan 0.000 0.414 98 L N -1.657 119.582 121.223 0.026 0.000 2.710 98 L HA 0.904 5.244 4.340 0.001 0.000 0.260 98 L C 0.154 177.032 176.870 0.013 0.000 0.993 98 L CA -0.678 54.169 54.840 0.011 0.000 0.877 98 L CB 1.246 43.320 42.059 0.026 0.000 1.461 98 L HN 1.174 nan 8.230 nan 0.000 0.413 99 G N 0.192 108.994 108.800 0.003 0.000 2.634 99 G HA2 0.345 4.305 3.960 0.001 0.000 0.255 99 G HA3 0.345 4.305 3.960 0.001 0.000 0.255 99 G C 0.460 175.372 174.900 0.021 0.000 1.205 99 G CA -0.508 44.596 45.100 0.007 0.000 0.884 99 G HN 0.801 nan 8.290 nan 0.000 0.549 100 L N 0.161 121.395 121.223 0.019 0.000 2.017 100 L HA -0.126 4.215 4.340 0.001 0.000 0.208 100 L C 3.170 180.059 176.870 0.031 0.000 1.073 100 L CA 1.618 56.472 54.840 0.024 0.000 0.745 100 L CB -0.169 41.900 42.059 0.017 0.000 0.894 100 L HN 0.569 nan 8.230 nan 0.000 0.432 101 S N -0.392 115.325 115.700 0.027 0.000 2.356 101 S HA -0.195 4.276 4.470 0.001 0.000 0.223 101 S C 2.083 176.717 174.600 0.057 0.000 1.032 101 S CA 1.153 59.373 58.200 0.034 0.000 1.005 101 S CB -0.369 62.847 63.200 0.026 0.000 0.867 101 S HN 0.584 nan 8.310 nan 0.000 0.449 102 A N 1.764 124.620 122.820 0.060 0.000 1.986 102 A HA -0.157 4.164 4.320 0.001 0.000 0.220 102 A C 2.286 179.966 177.584 0.159 0.000 1.171 102 A CA 2.091 54.192 52.037 0.107 0.000 0.640 102 A CB -0.968 18.056 19.000 0.040 0.000 0.811 102 A HN 0.653 nan 8.150 nan 0.000 0.451 103 S N -0.241 115.520 115.700 0.100 0.000 2.507 103 S HA 0.168 4.638 4.470 0.001 0.000 0.235 103 S C 1.868 176.510 174.600 0.070 0.000 0.988 103 S CA 1.042 59.298 58.200 0.092 0.000 0.944 103 S CB -0.499 62.738 63.200 0.062 0.000 0.762 103 S HN 0.888 nan 8.310 nan 0.000 0.526 104 A N 1.960 124.818 122.820 0.063 0.000 1.972 104 A HA 0.025 4.346 4.320 0.001 0.000 0.219 104 A C 2.336 179.928 177.584 0.013 0.000 1.169 104 A CA 1.051 53.109 52.037 0.036 0.000 0.635 104 A CB -0.216 18.805 19.000 0.035 0.000 0.810 104 A HN 0.434 nan 8.150 nan 0.000 0.446 105 R N -3.083 117.433 120.500 0.026 0.000 2.453 105 R HA 0.292 4.632 4.340 0.001 0.000 0.233 105 R C -0.784 175.322 176.300 -0.323 0.000 0.895 105 R CA 0.101 56.128 56.100 -0.122 0.000 1.028 105 R CB 0.062 30.295 30.300 -0.111 0.000 1.255 105 R HN 0.537 nan 8.270 nan 0.000 0.571 106 Y N 0.185 120.494 120.300 0.016 0.000 2.524 106 Y HA 0.424 4.975 4.550 0.001 0.000 0.344 106 Y C 0.557 176.470 175.900 0.023 0.000 1.012 106 Y CA -0.778 57.334 58.100 0.021 0.000 1.068 106 Y CB 2.081 40.554 38.460 0.021 0.000 1.249 106 Y HN -0.155 nan 8.280 nan 0.000 0.468 107 T N -1.771 112.885 114.554 0.169 0.000 2.900 107 T HA 0.595 4.945 4.350 0.001 0.000 0.295 107 T C -0.953 173.815 174.700 0.113 0.000 1.044 107 T CA -0.919 61.247 62.100 0.110 0.000 0.995 107 T CB 1.047 69.954 68.868 0.065 0.000 1.072 107 T HN 0.375 nan 8.240 nan 0.000 0.473 108 V N 2.618 122.586 119.914 0.091 0.000 2.617 108 V HA 0.388 4.509 4.120 0.001 0.000 0.304 108 V C 1.857 178.002 176.094 0.085 0.000 1.040 108 V CA 1.741 64.093 62.300 0.087 0.000 1.149 108 V CB 0.028 31.897 31.823 0.077 0.000 0.914 108 V HN 1.579 nan 8.190 nan 0.000 0.487 109 G N 3.144 111.999 108.800 0.092 0.000 2.199 109 G HA2 -0.280 3.681 3.960 0.001 0.000 0.254 109 G HA3 -0.280 3.681 3.960 0.001 0.000 0.254 109 G C 0.338 175.297 174.900 0.098 0.000 0.982 109 G CA 0.424 45.579 45.100 0.092 0.000 0.632 109 G HN 0.811 nan 8.290 nan 0.000 0.529 110 Q N 0.767 120.633 119.800 0.109 0.000 2.352 110 Q HA 0.587 4.928 4.340 0.001 0.000 0.260 110 Q C 0.612 176.693 176.000 0.135 0.000 0.976 110 Q CA 0.193 56.067 55.803 0.119 0.000 0.881 110 Q CB 0.658 29.484 28.738 0.147 0.000 1.235 110 Q HN 0.942 nan 8.270 nan 0.000 0.419 111 A N 3.786 126.684 122.820 0.130 0.000 2.354 111 A HA 0.473 4.793 4.320 0.001 0.000 0.281 111 A C -0.517 177.165 177.584 0.163 0.000 1.174 111 A CA -0.384 51.742 52.037 0.148 0.000 0.828 111 A CB 0.054 19.142 19.000 0.147 0.000 1.099 111 A HN 0.618 nan 8.150 nan 0.000 0.516 112 V N -0.349 119.674 119.914 0.182 0.000 2.876 112 V HA 0.971 5.092 4.120 0.001 0.000 0.312 112 V C -0.107 176.120 176.094 0.223 0.000 1.085 112 V CA -0.344 62.078 62.300 0.203 0.000 0.945 112 V CB 1.291 33.229 31.823 0.193 0.000 1.017 112 V HN 1.650 nan 8.190 nan 0.000 0.428 113 A N 3.273 126.219 122.820 0.210 0.000 2.384 113 A HA 1.086 5.407 4.320 0.001 0.000 0.312 113 A C -1.089 176.628 177.584 0.222 0.000 1.113 113 A CA -0.627 51.515 52.037 0.175 0.000 0.779 113 A CB 1.881 20.950 19.000 0.114 0.000 1.307 113 A HN 2.224 nan 8.150 nan 0.000 0.436 114 Y N -1.823 118.515 120.300 0.064 0.000 2.624 114 Y HA 0.692 5.243 4.550 0.001 0.000 0.334 114 Y C -1.042 174.867 175.900 0.014 0.000 1.155 114 Y CA -1.257 56.858 58.100 0.025 0.000 1.046 114 Y CB 1.598 40.049 38.460 -0.014 0.000 1.316 114 Y HN 0.700 nan 8.280 nan 0.000 0.457 115 M N 3.489 123.112 119.600 0.039 0.000 2.046 115 M HA 0.880 5.360 4.480 0.001 0.000 0.309 115 M C -1.735 174.597 176.300 0.053 0.000 0.935 115 M CA -0.390 54.887 55.300 -0.037 0.000 0.915 115 M CB 0.907 33.442 32.600 -0.108 0.000 1.474 115 M HN 1.101 nan 8.290 nan 0.000 0.415 116 A N 5.805 128.718 122.820 0.154 0.000 2.594 116 A HA 0.834 5.155 4.320 0.001 0.000 0.296 116 A C -3.176 174.468 177.584 0.100 0.000 1.061 116 A CA -1.025 51.081 52.037 0.115 0.000 0.689 116 A CB 1.412 20.491 19.000 0.131 0.000 1.280 116 A HN 0.560 nan 8.150 nan 0.000 0.406 117 P HA 0.425 nan 4.420 nan 0.000 0.271 117 P C 0.794 178.070 177.300 -0.039 0.000 1.218 117 P CA 1.538 64.587 63.100 -0.085 0.000 0.780 117 P CB 1.046 32.694 31.700 -0.087 0.000 0.901 118 G N 1.657 110.392 108.800 -0.107 0.000 2.138 118 G HA2 -0.249 3.712 3.960 0.001 0.000 0.193 118 G HA3 -0.249 3.712 3.960 0.001 0.000 0.193 118 G C 0.886 175.806 174.900 0.032 0.000 0.998 118 G CA 0.313 45.401 45.100 -0.019 0.000 0.668 118 G HN 0.630 nan 8.290 nan 0.000 0.516 119 S N -0.634 115.059 115.700 -0.011 0.000 2.481 119 S HA 0.205 4.675 4.470 0.001 0.000 0.231 119 S C 0.983 175.709 174.600 0.211 0.000 0.996 119 S CA 0.414 58.696 58.200 0.137 0.000 0.942 119 S CB -0.183 63.033 63.200 0.026 0.000 0.768 119 S HN 0.376 nan 8.310 nan 0.000 0.520 120 F N 3.435 123.393 119.950 0.013 0.000 2.661 120 F HA 0.733 5.261 4.527 0.001 0.000 0.356 120 F C 0.749 176.559 175.800 0.017 0.000 1.244 120 F CA -1.411 56.586 58.000 -0.004 0.000 1.290 120 F CB -1.075 37.910 39.000 -0.026 0.000 1.677 120 F HN 0.350 nan 8.300 nan 0.000 0.649 121 A N 1.124 124.064 122.820 0.201 0.000 2.608 121 A HA 0.483 4.804 4.320 0.001 0.000 0.292 121 A C 0.746 178.385 177.584 0.091 0.000 1.066 121 A CA -0.677 51.441 52.037 0.136 0.000 0.676 121 A CB 0.891 19.973 19.000 0.137 0.000 1.277 121 A HN 0.359 nan 8.150 nan 0.000 0.413 122 E N -0.511 119.737 120.200 0.080 0.000 2.106 122 E HA -0.059 4.292 4.350 0.001 0.000 0.192 122 E C -0.687 175.798 176.600 -0.192 0.000 0.984 122 E CA 1.528 57.900 56.400 -0.046 0.000 0.806 122 E CB -0.016 29.698 29.700 0.023 0.000 0.750 122 E HN 0.594 nan 8.360 nan 0.000 0.458 123 Y N -0.746 119.567 120.300 0.023 0.000 2.462 123 Y HA 0.368 4.919 4.550 0.001 0.000 0.346 123 Y C -0.381 175.523 175.900 0.005 0.000 0.976 123 Y CA -0.921 57.185 58.100 0.011 0.000 1.044 123 Y CB 2.508 40.965 38.460 -0.004 0.000 1.230 123 Y HN -0.326 nan 8.280 nan 0.000 0.455 124 T N 2.325 116.946 114.554 0.111 0.000 2.921 124 T HA 0.365 4.715 4.350 0.001 0.000 0.297 124 T C -0.936 173.703 174.700 -0.101 0.000 1.013 124 T CA -0.693 61.409 62.100 0.003 0.000 0.990 124 T CB 1.486 70.347 68.868 -0.012 0.000 1.023 124 T HN 0.292 nan 8.240 nan 0.000 0.447 125 V N 3.853 123.711 119.914 -0.094 0.000 2.508 125 V HA 0.357 4.477 4.120 0.001 0.000 0.281 125 V C -0.087 175.876 176.094 -0.218 0.000 1.041 125 V CA -0.196 62.026 62.300 -0.130 0.000 1.016 125 V CB 1.126 32.903 31.823 -0.077 0.000 0.984 125 V HN 0.687 nan 8.190 nan 0.000 0.478 126 V N 7.989 127.738 119.914 -0.275 0.000 2.483 126 V HA 0.379 4.499 4.120 0.001 0.000 0.297 126 V C -2.429 173.529 176.094 -0.227 0.000 1.027 126 V CA -2.073 60.022 62.300 -0.341 0.000 0.855 126 V CB 2.157 33.636 31.823 -0.574 0.000 0.995 126 V HN 0.714 nan 8.190 nan 0.000 0.424 127 P HA 0.151 nan 4.420 nan 0.000 0.268 127 P C 0.570 177.769 177.300 -0.167 0.000 1.204 127 P CA 0.013 63.035 63.100 -0.131 0.000 0.768 127 P CB 1.001 32.650 31.700 -0.085 0.000 0.842 128 A N 3.251 125.959 122.820 -0.187 0.000 2.070 128 A HA -0.161 4.160 4.320 0.001 0.000 0.220 128 A C 2.064 179.576 177.584 -0.119 0.000 1.159 128 A CA 1.931 53.780 52.037 -0.314 0.000 0.656 128 A CB -1.484 17.360 19.000 -0.261 0.000 0.800 128 A HN 0.592 nan 8.150 nan 0.000 0.453 129 S N 0.464 116.142 115.700 -0.037 0.000 2.442 129 S HA -0.126 4.345 4.470 0.001 0.000 0.236 129 S C 1.555 176.163 174.600 0.013 0.000 1.007 129 S CA 1.274 59.484 58.200 0.018 0.000 0.965 129 S CB -0.736 62.467 63.200 0.005 0.000 0.773 129 S HN 0.970 nan 8.310 nan 0.000 0.504 130 I N -1.563 118.991 120.570 -0.027 0.000 4.018 130 I HA 0.583 4.753 4.170 0.001 0.000 0.337 130 I C 0.674 176.804 176.117 0.022 0.000 1.327 130 I CA -0.694 60.592 61.300 -0.023 0.000 1.100 130 I CB -0.033 37.930 38.000 -0.061 0.000 1.025 130 I HN 0.219 nan 8.210 nan 0.000 0.396 131 A N 1.362 124.186 122.820 0.007 0.000 2.407 131 A HA 0.565 4.885 4.320 0.001 0.000 0.248 131 A C 0.138 177.835 177.584 0.189 0.000 1.082 131 A CA 0.163 52.231 52.037 0.053 0.000 0.785 131 A CB 0.103 18.986 19.000 -0.194 0.000 1.020 131 A HN 0.365 nan 8.150 nan 0.000 0.489 132 T N 4.763 119.439 114.554 0.204 0.000 2.772 132 T HA 0.504 4.855 4.350 0.001 0.000 0.288 132 T C -2.702 172.106 174.700 0.179 0.000 0.994 132 T CA -0.863 61.349 62.100 0.187 0.000 0.951 132 T CB 1.148 70.112 68.868 0.158 0.000 0.933 132 T HN 0.430 nan 8.240 nan 0.000 0.447 133 P HA 0.247 nan 4.420 nan 0.000 0.268 133 P C -0.603 176.709 177.300 0.021 0.000 1.204 133 P CA -0.374 62.790 63.100 0.107 0.000 0.768 133 P CB 0.495 32.214 31.700 0.031 0.000 0.842 134 V N 1.285 121.203 119.914 0.008 0.000 3.001 134 V HA 0.530 4.650 4.120 0.001 0.000 0.314 134 V C -2.037 173.995 176.094 -0.103 0.000 1.099 134 V CA -2.288 59.941 62.300 -0.117 0.000 0.989 134 V CB 1.437 33.213 31.823 -0.078 0.000 1.040 134 V HN 0.205 nan 8.190 nan 0.000 0.434 135 P HA 0.031 nan 4.420 nan 0.000 0.217 135 P C 0.444 177.791 177.300 0.079 0.000 1.150 135 P CA 1.818 64.872 63.100 -0.076 0.000 0.832 135 P CB 0.088 31.714 31.700 -0.124 0.000 0.787 136 S N -3.747 112.077 115.700 0.207 0.000 2.655 136 S HA 0.302 4.773 4.470 0.001 0.000 0.266 136 S C -1.079 173.722 174.600 0.335 0.000 1.149 136 S CA -0.911 57.439 58.200 0.251 0.000 0.818 136 S CB 0.821 64.160 63.200 0.232 0.000 1.130 136 S HN -0.272 nan 8.310 nan 0.000 0.476 137 V N 1.886 121.958 119.914 0.264 0.000 2.299 137 V HA 0.455 4.575 4.120 0.001 0.000 0.255 137 V C -0.136 176.138 176.094 0.300 0.000 1.100 137 V CA -0.010 62.468 62.300 0.298 0.000 0.938 137 V CB -0.655 31.328 31.823 0.266 0.000 1.139 137 V HN 0.677 nan 8.190 nan 0.000 0.490 138 K N 5.655 126.142 120.400 0.144 0.000 2.426 138 K HA 0.473 4.793 4.320 0.001 0.000 0.251 138 K C -2.027 174.293 176.600 -0.466 0.000 0.941 138 K CA -1.814 54.363 56.287 -0.184 0.000 0.808 138 K CB 2.961 35.218 32.500 -0.404 0.000 1.265 138 K HN 0.064 nan 8.250 nan 0.000 0.432 139 P HA -0.090 nan 4.420 nan 0.000 0.225 139 P C 0.309 177.363 177.300 -0.409 0.000 1.156 139 P CA 1.124 63.701 63.100 -0.873 0.000 0.787 139 P CB 0.438 31.524 31.700 -1.022 0.000 0.802 140 E N -0.745 119.213 120.200 -0.404 0.000 2.153 140 E HA -0.173 4.178 4.350 0.001 0.000 0.194 140 E C 1.688 178.228 176.600 -0.100 0.000 0.988 140 E CA 1.249 57.503 56.400 -0.245 0.000 0.811 140 E CB -0.894 28.630 29.700 -0.293 0.000 0.746 140 E HN 0.363 nan 8.360 nan 0.000 0.466 141 Y N -0.332 119.939 120.300 -0.049 0.000 2.395 141 Y HA 0.058 4.609 4.550 0.001 0.000 0.293 141 Y C 2.020 177.901 175.900 -0.032 0.000 1.123 141 Y CA 0.097 58.181 58.100 -0.028 0.000 1.227 141 Y CB -0.661 37.795 38.460 -0.008 0.000 1.012 141 Y HN 0.061 nan 8.280 nan 0.000 0.552 142 L N 0.153 121.420 121.223 0.073 0.000 2.141 142 L HA -0.170 4.170 4.340 0.001 0.000 0.209 142 L C 2.483 179.374 176.870 0.036 0.000 1.094 142 L CA 1.983 56.846 54.840 0.037 0.000 0.763 142 L CB -0.630 41.433 42.059 0.007 0.000 0.908 142 L HN 0.377 nan 8.230 nan 0.000 0.437 143 T N -2.152 112.434 114.554 0.054 0.000 2.849 143 T HA -0.224 4.127 4.350 0.001 0.000 0.270 143 T C 1.761 176.482 174.700 0.036 0.000 1.066 143 T CA 1.643 63.822 62.100 0.132 0.000 1.130 143 T CB -0.708 68.322 68.868 0.270 0.000 0.864 143 T HN 0.456 nan 8.240 nan 0.000 0.481 144 L N -0.205 120.979 121.223 -0.065 0.000 2.313 144 L HA 0.191 4.532 4.340 0.001 0.000 0.214 144 L C 2.661 179.414 176.870 -0.195 0.000 1.119 144 L CA 0.501 55.188 54.840 -0.256 0.000 0.809 144 L CB -0.536 41.410 42.059 -0.188 0.000 0.933 144 L HN 0.260 nan 8.230 nan 0.000 0.449 145 L N -1.037 120.151 121.223 -0.060 0.000 2.056 145 L HA -0.148 4.193 4.340 0.001 0.000 0.207 145 L C 2.158 179.077 176.870 0.082 0.000 1.078 145 L CA 0.977 55.836 54.840 0.031 0.000 0.749 145 L CB -0.279 41.809 42.059 0.049 0.000 0.901 145 L HN 0.070 nan 8.230 nan 0.000 0.433 146 V N -2.633 117.302 119.914 0.035 0.000 2.840 146 V HA -0.005 4.116 4.120 0.001 0.000 0.234 146 V C 2.268 178.385 176.094 0.038 0.000 1.159 146 V CA 0.976 63.303 62.300 0.045 0.000 1.194 146 V CB 0.633 32.470 31.823 0.024 0.000 0.971 146 V HN 0.188 nan 8.190 nan 0.000 0.494 147 S N 1.236 116.967 115.700 0.052 0.000 2.356 147 S HA -0.113 4.358 4.470 0.001 0.000 0.223 147 S C 2.002 176.583 174.600 -0.031 0.000 1.032 147 S CA 1.687 59.961 58.200 0.123 0.000 1.005 147 S CB -0.691 62.676 63.200 0.278 0.000 0.867 147 S HN 0.663 nan 8.310 nan 0.000 0.449 148 G N 1.756 110.281 108.800 -0.458 0.000 2.414 148 G HA2 -0.211 3.749 3.960 0.001 0.000 0.215 148 G HA3 -0.211 3.749 3.960 0.001 0.000 0.215 148 G C 1.690 176.373 174.900 -0.362 0.000 1.188 148 G CA 1.655 46.214 45.100 -0.901 0.000 0.783 148 G HN 0.617 nan 8.290 nan 0.000 0.537 149 T N -1.102 113.290 114.554 -0.269 0.000 2.746 149 T HA -0.134 4.216 4.350 0.001 0.000 0.267 149 T C 2.310 177.008 174.700 -0.003 0.000 1.039 149 T CA 2.147 64.131 62.100 -0.193 0.000 1.142 149 T CB -0.949 67.739 68.868 -0.301 0.000 0.866 149 T HN 0.168 nan 8.240 nan 0.000 0.444 150 T N 2.320 116.909 114.554 0.059 0.000 2.684 150 T HA -0.012 4.338 4.350 0.001 0.000 0.267 150 T C 2.473 177.173 174.700 -0.000 0.000 1.036 150 T CA 1.576 63.754 62.100 0.130 0.000 1.148 150 T CB -0.920 68.070 68.868 0.203 0.000 0.863 150 T HN 0.626 nan 8.240 nan 0.000 0.436 151 A N 0.242 123.111 122.820 0.082 0.000 1.877 151 A HA -0.081 4.240 4.320 0.001 0.000 0.216 151 A C 2.086 179.645 177.584 -0.041 0.000 1.186 151 A CA 1.608 53.672 52.037 0.045 0.000 0.620 151 A CB -1.121 17.877 19.000 -0.004 0.000 0.822 151 A HN 0.606 nan 8.150 nan 0.000 0.443 152 Y N 0.354 120.559 120.300 -0.157 0.000 2.070 152 Y HA -0.241 4.309 4.550 0.001 0.000 0.280 152 Y C 2.150 177.959 175.900 -0.150 0.000 1.148 152 Y CA 2.256 60.263 58.100 -0.154 0.000 1.125 152 Y CB -0.212 38.144 38.460 -0.173 0.000 0.975 152 Y HN 0.267 nan 8.280 nan 0.000 0.492 153 I N -0.376 120.267 120.570 0.122 0.000 2.233 153 I HA -0.291 3.879 4.170 0.001 0.000 0.243 153 I C 2.683 178.631 176.117 -0.281 0.000 1.093 153 I CA 1.405 62.734 61.300 0.048 0.000 1.380 153 I CB -0.643 37.462 38.000 0.176 0.000 1.067 153 I HN 0.350 nan 8.210 nan 0.000 0.413 154 S N 1.564 116.845 115.700 -0.699 0.000 2.356 154 S HA -0.162 4.309 4.470 0.001 0.000 0.223 154 S C 2.030 176.420 174.600 -0.350 0.000 1.032 154 S CA 1.073 58.734 58.200 -0.899 0.000 1.005 154 S CB -0.952 61.463 63.200 -1.308 0.000 0.867 154 S HN 0.390 nan 8.310 nan 0.000 0.449 155 L N 1.193 122.280 121.223 -0.228 0.000 2.056 155 L HA -0.026 4.314 4.340 0.001 0.000 0.207 155 L C 2.961 179.737 176.870 -0.157 0.000 1.078 155 L CA 1.690 56.439 54.840 -0.152 0.000 0.749 155 L CB -0.488 41.479 42.059 -0.155 0.000 0.901 155 L HN 0.385 nan 8.230 nan 0.000 0.433 156 K N -0.024 120.254 120.400 -0.203 0.000 2.001 156 K HA -0.173 4.147 4.320 0.001 0.000 0.208 156 K C 2.022 178.582 176.600 -0.068 0.000 1.048 156 K CA 1.293 57.480 56.287 -0.167 0.000 0.932 156 K CB 0.168 32.541 32.500 -0.210 0.000 0.715 156 K HN 0.135 nan 8.250 nan 0.000 0.437 157 E N 0.172 120.343 120.200 -0.048 0.000 2.216 157 E HA -0.047 4.303 4.350 0.001 0.000 0.192 157 E C 1.703 178.324 176.600 0.035 0.000 0.988 157 E CA 0.840 57.259 56.400 0.032 0.000 0.834 157 E CB 0.318 30.069 29.700 0.085 0.000 0.772 157 E HN 0.385 nan 8.360 nan 0.000 0.479 158 L N -1.543 119.670 121.223 -0.016 0.000 2.993 158 L HA 0.295 4.635 4.340 0.001 0.000 0.264 158 L C 1.923 178.793 176.870 0.001 0.000 1.154 158 L CA 0.393 55.244 54.840 0.017 0.000 0.972 158 L CB 0.480 42.553 42.059 0.024 0.000 1.373 158 L HN 0.036 nan 8.230 nan 0.000 0.564 159 G N -0.229 108.555 108.800 -0.027 0.000 2.494 159 G HA2 0.105 4.065 3.960 0.001 0.000 0.216 159 G HA3 0.105 4.065 3.960 0.001 0.000 0.216 159 G C 1.275 176.167 174.900 -0.013 0.000 1.140 159 G CA 0.621 45.708 45.100 -0.021 0.000 0.801 159 G HN 0.412 nan 8.290 nan 0.000 0.536 160 G N 0.155 108.947 108.800 -0.014 0.000 2.356 160 G HA2 -0.265 3.696 3.960 0.001 0.000 0.296 160 G HA3 -0.265 3.696 3.960 0.001 0.000 0.296 160 G C 0.307 175.198 174.900 -0.015 0.000 1.022 160 G CA 0.309 45.404 45.100 -0.008 0.000 0.961 160 G HN 0.500 nan 8.290 nan 0.000 0.510 161 L N 0.223 121.429 121.223 -0.029 0.000 2.439 161 L HA 0.591 4.932 4.340 0.001 0.000 0.269 161 L C 0.953 177.808 176.870 -0.025 0.000 1.179 161 L CA 0.485 55.307 54.840 -0.031 0.000 0.828 161 L CB 1.169 43.198 42.059 -0.051 0.000 1.106 161 L HN 0.638 nan 8.230 nan 0.000 0.467 162 S N -0.098 115.592 115.700 -0.017 0.000 2.587 162 S HA 0.208 4.678 4.470 0.001 0.000 0.269 162 S C -0.991 173.606 174.600 -0.005 0.000 1.154 162 S CA -1.134 57.059 58.200 -0.012 0.000 0.824 162 S CB 1.470 64.666 63.200 -0.007 0.000 1.118 162 S HN 0.643 nan 8.310 nan 0.000 0.462 163 E N -0.005 120.193 120.200 -0.003 0.000 2.529 163 E HA 0.342 4.692 4.350 0.001 0.000 0.259 163 E C 1.406 178.012 176.600 0.011 0.000 0.966 163 E CA 1.444 57.846 56.400 0.003 0.000 0.937 163 E CB -0.454 29.247 29.700 0.003 0.000 0.923 163 E HN 1.578 nan 8.360 nan 0.000 0.468 164 G N 3.870 112.683 108.800 0.022 0.000 2.217 164 G HA2 -0.304 3.657 3.960 0.001 0.000 0.246 164 G HA3 -0.304 3.657 3.960 0.001 0.000 0.246 164 G C 0.180 175.100 174.900 0.034 0.000 0.990 164 G CA 0.299 45.418 45.100 0.031 0.000 0.627 164 G HN 0.553 nan 8.290 nan 0.000 0.522 165 K N 0.736 121.151 120.400 0.025 0.000 2.336 165 K HA 0.370 4.690 4.320 0.001 0.000 0.262 165 K C 0.284 176.910 176.600 0.044 0.000 0.992 165 K CA 0.333 56.633 56.287 0.022 0.000 0.927 165 K CB 0.390 32.894 32.500 0.007 0.000 0.956 165 K HN 0.226 nan 8.250 nan 0.000 0.495 166 K N 1.439 121.859 120.400 0.033 0.000 2.206 166 K HA 0.357 4.677 4.320 0.001 0.000 0.264 166 K C -1.051 175.543 176.600 -0.010 0.000 0.967 166 K CA -0.679 55.634 56.287 0.044 0.000 0.844 166 K CB 1.773 34.284 32.500 0.019 0.000 1.099 166 K HN 0.156 nan 8.250 nan 0.000 0.441 167 V N 4.108 124.009 119.914 -0.022 0.000 2.531 167 V HA 0.294 4.415 4.120 0.001 0.000 0.301 167 V C -1.018 175.030 176.094 -0.077 0.000 1.034 167 V CA -1.002 61.271 62.300 -0.045 0.000 0.865 167 V CB 1.563 33.358 31.823 -0.046 0.000 0.995 167 V HN 0.557 nan 8.190 nan 0.000 0.424 168 L N 6.750 127.932 121.223 -0.068 0.000 2.272 168 L HA 0.696 5.036 4.340 0.001 0.000 0.289 168 L C -0.529 176.343 176.870 0.003 0.000 1.032 168 L CA 0.121 54.922 54.840 -0.066 0.000 0.810 168 L CB 1.576 43.585 42.059 -0.083 0.000 1.205 168 L HN 0.447 nan 8.230 nan 0.000 0.422 169 V N 4.337 124.252 119.914 0.002 0.000 2.357 169 V HA 0.487 4.607 4.120 0.001 0.000 0.284 169 V C 0.450 176.591 176.094 0.078 0.000 1.018 169 V CA -0.310 62.027 62.300 0.061 0.000 0.841 169 V CB 1.461 33.266 31.823 -0.030 0.000 0.991 169 V HN 0.912 nan 8.190 nan 0.000 0.437 170 T N 1.863 116.491 114.554 0.125 0.000 2.918 170 T HA 0.606 4.957 4.350 0.001 0.000 0.283 170 T C 0.790 175.562 174.700 0.120 0.000 1.001 170 T CA 0.109 62.267 62.100 0.097 0.000 1.041 170 T CB 1.497 70.402 68.868 0.061 0.000 1.028 170 T HN 2.021 nan 8.240 nan 0.000 0.511 171 A N 0.248 123.128 122.820 0.101 0.000 2.596 171 A HA -0.083 4.237 4.320 0.001 0.000 0.300 171 A C 1.710 179.352 177.584 0.096 0.000 1.495 171 A CA 0.987 53.083 52.037 0.097 0.000 0.769 171 A CB -2.084 16.960 19.000 0.073 0.000 1.047 171 A HN 1.855 nan 8.150 nan 0.000 0.436 172 A N -0.634 122.239 122.820 0.087 0.000 2.015 172 A HA 0.307 4.627 4.320 0.001 0.000 0.219 172 A C 2.143 179.772 177.584 0.075 0.000 1.163 172 A CA 1.794 53.863 52.037 0.054 0.000 0.646 172 A CB -0.443 18.571 19.000 0.023 0.000 0.806 172 A HN 2.163 nan 8.150 nan 0.000 0.448 173 A N -0.552 122.338 122.820 0.116 0.000 2.278 173 A HA 0.500 4.820 4.320 0.001 0.000 0.212 173 A C 1.238 178.867 177.584 0.076 0.000 1.213 173 A CA 0.629 52.790 52.037 0.205 0.000 0.840 173 A CB -0.705 18.412 19.000 0.195 0.000 0.866 173 A HN 0.608 nan 8.150 nan 0.000 0.489 174 G N -1.822 107.009 108.800 0.051 0.000 2.583 174 G HA2 0.430 4.390 3.960 0.001 0.000 0.280 174 G HA3 0.430 4.390 3.960 0.001 0.000 0.280 174 G C 1.060 175.980 174.900 0.034 0.000 1.376 174 G CA 0.081 45.192 45.100 0.018 0.000 1.043 174 G HN 0.320 nan 8.290 nan 0.000 0.538 175 G N -1.390 107.446 108.800 0.061 0.000 2.433 175 G HA2 -0.175 3.786 3.960 0.001 0.000 0.216 175 G HA3 -0.175 3.786 3.960 0.001 0.000 0.216 175 G C 1.691 176.718 174.900 0.212 0.000 1.186 175 G CA 1.955 47.121 45.100 0.111 0.000 0.779 175 G HN 0.696 nan 8.290 nan 0.000 0.543 176 T N 0.145 114.842 114.554 0.238 0.000 2.896 176 T HA 0.106 4.457 4.350 0.001 0.000 0.263 176 T C 2.478 177.303 174.700 0.209 0.000 1.050 176 T CA 1.686 63.981 62.100 0.325 0.000 1.140 176 T CB -0.648 68.416 68.868 0.328 0.000 0.877 176 T HN 0.280 nan 8.240 nan 0.000 0.457 177 G N 1.394 110.277 108.800 0.138 0.000 2.469 177 G HA2 -0.312 3.649 3.960 0.001 0.000 0.219 177 G HA3 -0.312 3.649 3.960 0.001 0.000 0.219 177 G C 1.484 176.338 174.900 -0.078 0.000 1.150 177 G CA 1.280 46.397 45.100 0.029 0.000 0.763 177 G HN 0.751 nan 8.290 nan 0.000 0.561 178 Q N -0.939 118.804 119.800 -0.095 0.000 2.181 178 Q HA -0.077 4.264 4.340 0.001 0.000 0.205 178 Q C 2.122 177.923 176.000 -0.333 0.000 0.980 178 Q CA 1.475 57.142 55.803 -0.226 0.000 0.862 178 Q CB -0.469 28.116 28.738 -0.255 0.000 0.905 178 Q HN 0.453 nan 8.270 nan 0.000 0.429 179 F N 1.055 120.955 119.950 -0.082 0.000 2.270 179 F HA 0.255 4.782 4.527 0.001 0.000 0.295 179 F C 2.620 178.286 175.800 -0.223 0.000 1.087 179 F CA 0.512 58.441 58.000 -0.117 0.000 1.365 179 F CB -0.691 38.265 39.000 -0.073 0.000 1.056 179 F HN 0.177 nan 8.300 nan 0.000 0.506 180 A N 0.139 122.831 122.820 -0.213 0.000 1.917 180 A HA -0.276 4.044 4.320 0.001 0.000 0.219 180 A C 2.194 179.590 177.584 -0.313 0.000 1.182 180 A CA 2.167 53.897 52.037 -0.513 0.000 0.633 180 A CB -0.883 17.359 19.000 -1.263 0.000 0.819 180 A HN 0.345 nan 8.150 nan 0.000 0.448 181 M N -0.143 119.309 119.600 -0.246 0.000 2.084 181 M HA -0.243 4.238 4.480 0.001 0.000 0.259 181 M C 2.185 178.385 176.300 -0.167 0.000 1.072 181 M CA 2.415 57.598 55.300 -0.195 0.000 1.107 181 M CB -0.728 31.754 32.600 -0.196 0.000 1.299 181 M HN 0.523 nan 8.290 nan 0.000 0.413 182 Q N -0.408 119.303 119.800 -0.149 0.000 2.084 182 Q HA -0.144 4.197 4.340 0.001 0.000 0.202 182 Q C 2.168 178.116 176.000 -0.086 0.000 0.978 182 Q CA 1.874 57.609 55.803 -0.112 0.000 0.844 182 Q CB -0.390 28.299 28.738 -0.082 0.000 0.898 182 Q HN 0.558 nan 8.270 nan 0.000 0.426 183 L N 0.031 121.206 121.223 -0.080 0.000 2.141 183 L HA -0.158 4.183 4.340 0.001 0.000 0.209 183 L C 2.397 179.196 176.870 -0.119 0.000 1.094 183 L CA 0.749 55.528 54.840 -0.100 0.000 0.763 183 L CB -0.301 41.689 42.059 -0.115 0.000 0.908 183 L HN 0.136 nan 8.230 nan 0.000 0.437 184 S N -0.488 115.135 115.700 -0.129 0.000 2.368 184 S HA -0.104 4.367 4.470 0.001 0.000 0.224 184 S C 1.964 176.510 174.600 -0.090 0.000 1.029 184 S CA 0.864 58.997 58.200 -0.111 0.000 0.988 184 S CB -0.058 63.070 63.200 -0.120 0.000 0.838 184 S HN 0.271 nan 8.310 nan 0.000 0.462 185 K N 1.715 122.056 120.400 -0.098 0.000 2.103 185 K HA -0.013 4.307 4.320 0.001 0.000 0.207 185 K C 1.856 178.417 176.600 -0.065 0.000 1.048 185 K CA 1.172 57.409 56.287 -0.084 0.000 0.930 185 K CB -0.326 32.115 32.500 -0.100 0.000 0.716 185 K HN 0.348 nan 8.250 nan 0.000 0.444 186 K N 0.272 120.633 120.400 -0.065 0.000 2.211 186 K HA -0.017 4.303 4.320 0.001 0.000 0.203 186 K C 1.726 178.300 176.600 -0.043 0.000 1.050 186 K CA 0.974 57.232 56.287 -0.049 0.000 0.945 186 K CB 0.010 32.481 32.500 -0.049 0.000 0.732 186 K HN 0.074 nan 8.250 nan 0.000 0.451 187 A N 0.906 123.694 122.820 -0.054 0.000 2.238 187 A HA 0.001 4.322 4.320 0.001 0.000 0.208 187 A C -0.063 177.503 177.584 -0.030 0.000 1.177 187 A CA 0.234 52.243 52.037 -0.046 0.000 0.804 187 A CB 0.043 19.007 19.000 -0.060 0.000 0.823 187 A HN 0.150 nan 8.150 nan 0.000 0.482 188 K N -1.668 118.715 120.400 -0.028 0.000 3.251 188 K HA -0.144 4.177 4.320 0.001 0.000 0.282 188 K C -0.324 176.275 176.600 -0.001 0.000 1.201 188 K CA 0.756 57.035 56.287 -0.014 0.000 0.827 188 K CB -3.297 29.199 32.500 -0.006 0.000 1.286 188 K HN 0.555 nan 8.250 nan 0.000 0.503 189 C N 0.553 119.846 119.300 -0.011 0.000 2.443 189 C HA 0.305 4.765 4.460 0.001 0.000 0.369 189 C C 1.239 176.250 174.990 0.035 0.000 1.241 189 C CA -0.669 58.356 59.018 0.013 0.000 2.413 189 C CB 0.323 28.056 27.740 -0.012 0.000 2.451 189 C HN 0.435 nan 8.230 nan 0.000 0.595 190 H N 0.366 119.424 119.070 -0.019 0.000 2.742 190 H HA 0.517 5.073 4.556 0.000 0.000 0.302 190 H C -0.790 174.513 175.328 -0.041 0.000 1.069 190 H CA 0.119 56.162 56.048 -0.008 0.000 1.446 190 H CB 0.418 30.202 29.762 0.036 0.000 1.462 190 H HN 0.442 nan 8.280 nan 0.000 0.499 191 V N 7.720 127.436 119.914 -0.331 0.000 2.448 191 V HA 0.269 4.389 4.120 0.001 0.000 0.295 191 V C -0.015 175.931 176.094 -0.246 0.000 1.025 191 V CA -0.727 61.443 62.300 -0.216 0.000 0.859 191 V CB 1.382 33.101 31.823 -0.174 0.000 0.988 191 V HN 0.692 nan 8.190 nan 0.000 0.431 192 I N 3.613 124.084 120.570 -0.165 0.000 2.377 192 I HA 0.758 4.928 4.170 0.001 0.000 0.293 192 I C 0.653 176.718 176.117 -0.086 0.000 0.987 192 I CA -0.107 61.116 61.300 -0.129 0.000 1.185 192 I CB 1.901 39.781 38.000 -0.200 0.000 1.341 192 I HN 0.737 nan 8.210 nan 0.000 0.455 193 G N 2.808 111.578 108.800 -0.051 0.000 2.591 193 G HA2 0.629 4.590 3.960 0.001 0.000 0.306 193 G HA3 0.629 4.590 3.960 0.001 0.000 0.306 193 G C -0.705 174.211 174.900 0.027 0.000 1.334 193 G CA -0.507 44.582 45.100 -0.019 0.000 0.981 193 G HN 0.537 nan 8.290 nan 0.000 0.491 194 T N -1.791 112.802 114.554 0.067 0.000 2.902 194 T HA 0.705 5.056 4.350 0.001 0.000 0.283 194 T C 0.341 175.142 174.700 0.168 0.000 1.009 194 T CA -0.367 61.817 62.100 0.140 0.000 1.051 194 T CB 0.955 69.928 68.868 0.175 0.000 0.999 194 T HN 1.623 nan 8.240 nan 0.000 0.474 195 C N 0.632 120.039 119.300 0.178 0.000 3.284 195 C HA 0.829 5.290 4.460 0.001 0.000 0.348 195 C C 0.967 175.837 174.990 -0.200 0.000 1.448 195 C CA -0.190 58.880 59.018 0.088 0.000 1.223 195 C CB 0.954 28.717 27.740 0.038 0.000 1.588 195 C HN 1.082 nan 8.230 nan 0.000 0.451 196 S N -0.058 115.468 115.700 -0.290 0.000 2.593 196 S HA 0.541 5.011 4.470 0.001 0.000 0.236 196 S C 0.150 174.565 174.600 -0.309 0.000 0.991 196 S CA 0.572 58.434 58.200 -0.563 0.000 0.963 196 S CB -0.695 62.276 63.200 -0.382 0.000 0.865 196 S HN 2.308 nan 8.310 nan 0.000 0.488 197 S N -0.380 115.206 115.700 -0.189 0.000 2.567 197 S HA 0.471 4.941 4.470 0.001 0.000 0.270 197 S C -0.771 173.785 174.600 -0.073 0.000 1.152 197 S CA -0.617 57.512 58.200 -0.118 0.000 0.835 197 S CB 0.871 64.016 63.200 -0.093 0.000 1.115 197 S HN -0.096 nan 8.310 nan 0.000 0.459 198 D N 1.144 121.513 120.400 -0.053 0.000 2.224 198 D HA -0.049 4.592 4.640 0.001 0.000 0.205 198 D C 1.986 178.279 176.300 -0.012 0.000 0.965 198 D CA 1.484 55.466 54.000 -0.030 0.000 0.852 198 D CB 0.030 40.815 40.800 -0.025 0.000 0.947 198 D HN 0.792 nan 8.370 nan 0.000 0.494 199 E N 1.223 121.414 120.200 -0.014 0.000 2.152 199 E HA -0.147 4.204 4.350 0.001 0.000 0.192 199 E C 1.628 178.246 176.600 0.030 0.000 0.983 199 E CA 0.683 57.085 56.400 0.002 0.000 0.818 199 E CB -0.294 29.398 29.700 -0.012 0.000 0.758 199 E HN 0.170 nan 8.360 nan 0.000 0.467 200 K N 0.920 121.328 120.400 0.012 0.000 2.057 200 K HA -0.030 4.290 4.320 0.001 0.000 0.207 200 K C 2.443 179.103 176.600 0.100 0.000 1.049 200 K CA 1.508 57.832 56.287 0.061 0.000 0.931 200 K CB -0.023 32.482 32.500 0.009 0.000 0.714 200 K HN 0.024 nan 8.250 nan 0.000 0.440 201 S N 0.889 116.611 115.700 0.037 0.000 2.368 201 S HA -0.164 4.306 4.470 0.001 0.000 0.225 201 S C 2.099 176.712 174.600 0.021 0.000 1.030 201 S CA 1.230 59.443 58.200 0.021 0.000 0.999 201 S CB -0.229 62.970 63.200 -0.001 0.000 0.844 201 S HN 0.434 nan 8.310 nan 0.000 0.459 202 A N 1.244 124.085 122.820 0.035 0.000 1.908 202 A HA -0.106 4.215 4.320 0.001 0.000 0.218 202 A C 1.885 179.501 177.584 0.054 0.000 1.181 202 A CA 1.541 53.597 52.037 0.032 0.000 0.627 202 A CB -0.915 18.107 19.000 0.036 0.000 0.818 202 A HN 0.489 nan 8.150 nan 0.000 0.445 203 F N 0.788 120.709 119.950 -0.050 0.000 2.095 203 F HA -0.186 4.341 4.527 0.000 0.000 0.298 203 F C 1.910 177.670 175.800 -0.067 0.000 1.104 203 F CA 1.779 59.744 58.000 -0.059 0.000 1.232 203 F CB -0.420 38.542 39.000 -0.063 0.000 0.987 203 F HN 0.153 nan 8.300 nan 0.000 0.475 204 L N -0.038 121.075 121.223 -0.184 0.000 2.046 204 L HA -0.260 4.081 4.340 0.001 0.000 0.208 204 L C 2.720 179.440 176.870 -0.250 0.000 1.077 204 L CA 1.878 56.551 54.840 -0.278 0.000 0.747 204 L CB -1.113 40.884 42.059 -0.103 0.000 0.896 204 L HN 0.068 nan 8.230 nan 0.000 0.432 205 K N 0.326 120.635 120.400 -0.152 0.000 2.103 205 K HA -0.185 4.135 4.320 0.001 0.000 0.207 205 K C 2.352 178.861 176.600 -0.151 0.000 1.048 205 K CA 1.656 57.869 56.287 -0.123 0.000 0.930 205 K CB -0.629 31.829 32.500 -0.069 0.000 0.716 205 K HN 0.665 nan 8.250 nan 0.000 0.444 206 S N 0.175 115.767 115.700 -0.181 0.000 2.474 206 S HA 0.005 4.475 4.470 0.001 0.000 0.235 206 S C 1.776 176.226 174.600 -0.249 0.000 0.997 206 S CA 1.321 59.412 58.200 -0.182 0.000 0.949 206 S CB -0.399 62.719 63.200 -0.136 0.000 0.766 206 S HN 0.517 nan 8.310 nan 0.000 0.517 207 L N 0.566 121.572 121.223 -0.362 0.000 2.592 207 L HA 0.368 4.708 4.340 0.001 0.000 0.227 207 L C 1.788 178.520 176.870 -0.230 0.000 1.127 207 L CA 0.367 55.002 54.840 -0.342 0.000 0.884 207 L CB -0.349 41.415 42.059 -0.492 0.000 1.065 207 L HN 0.605 nan 8.230 nan 0.000 0.457 208 G N -0.525 108.161 108.800 -0.191 0.000 2.163 208 G HA2 -0.275 3.686 3.960 0.001 0.000 0.213 208 G HA3 -0.275 3.686 3.960 0.001 0.000 0.213 208 G C 0.324 175.129 174.900 -0.158 0.000 0.991 208 G CA -0.093 44.917 45.100 -0.149 0.000 0.653 208 G HN 0.296 nan 8.290 nan 0.000 0.518 209 C N 1.648 120.844 119.300 -0.175 0.000 2.590 209 C HA 0.348 4.808 4.460 0.001 0.000 0.411 209 C C 1.817 176.710 174.990 -0.161 0.000 1.420 209 C CA 0.599 59.515 59.018 -0.170 0.000 1.643 209 C CB -0.414 27.235 27.740 -0.151 0.000 2.528 209 C HN 0.515 nan 8.230 nan 0.000 0.606 210 D N 2.296 122.557 120.400 -0.231 0.000 2.234 210 D HA -0.020 4.621 4.640 0.001 0.000 0.205 210 D C 0.766 177.001 176.300 -0.108 0.000 0.962 210 D CA 0.948 54.803 54.000 -0.242 0.000 0.855 210 D CB 0.194 40.618 40.800 -0.627 0.000 0.951 210 D HN 0.503 nan 8.370 nan 0.000 0.500 211 R N 0.595 121.047 120.500 -0.080 0.000 2.984 211 R HA 0.258 4.598 4.340 0.001 0.000 0.252 211 R C -2.965 173.339 176.300 0.008 0.000 1.842 211 R CA -1.773 54.346 56.100 0.032 0.000 1.389 211 R CB 0.879 31.290 30.300 0.184 0.000 1.454 211 R HN -0.194 nan 8.270 nan 0.000 0.578 212 P HA 0.232 nan 4.420 nan 0.000 0.271 212 P C -0.583 176.733 177.300 0.026 0.000 1.216 212 P CA 0.011 63.110 63.100 -0.002 0.000 0.776 212 P CB 0.748 32.440 31.700 -0.013 0.000 0.881 213 I N 2.057 122.650 120.570 0.039 0.000 2.468 213 I HA 0.263 4.434 4.170 0.001 0.000 0.285 213 I C 0.116 176.264 176.117 0.051 0.000 1.039 213 I CA -0.838 60.497 61.300 0.058 0.000 1.074 213 I CB 1.626 39.679 38.000 0.087 0.000 1.228 213 I HN 0.187 nan 8.210 nan 0.000 0.436 214 N N 5.884 124.588 118.700 0.006 0.000 2.448 214 N HA -0.006 4.735 4.740 0.001 0.000 0.250 214 N C 0.658 176.135 175.510 -0.055 0.000 1.136 214 N CA -0.147 52.856 53.050 -0.078 0.000 0.953 214 N CB 0.374 38.807 38.487 -0.091 0.000 1.251 214 N HN 0.541 nan 8.380 nan 0.000 0.502 215 Y N 2.898 123.206 120.300 0.014 0.000 2.497 215 Y HA 0.106 4.656 4.550 0.000 0.000 0.292 215 Y C 1.346 177.255 175.900 0.014 0.000 1.137 215 Y CA 0.744 58.853 58.100 0.016 0.000 1.285 215 Y CB -0.074 38.396 38.460 0.016 0.000 0.991 215 Y HN 0.226 nan 8.280 nan 0.000 0.556 216 K N 0.469 120.726 120.400 -0.239 0.000 2.217 216 K HA -0.032 4.288 4.320 0.001 0.000 0.202 216 K C 1.678 178.264 176.600 -0.022 0.000 1.051 216 K CA 1.688 57.914 56.287 -0.102 0.000 0.952 216 K CB -0.445 31.929 32.500 -0.211 0.000 0.736 216 K HN 0.668 nan 8.250 nan 0.000 0.453 217 T N -2.034 112.501 114.554 -0.032 0.000 2.975 217 T HA 0.069 4.420 4.350 0.001 0.000 0.257 217 T C 0.341 175.052 174.700 0.019 0.000 1.003 217 T CA -0.445 61.651 62.100 -0.006 0.000 0.932 217 T CB 0.297 69.153 68.868 -0.021 0.000 1.087 217 T HN 0.247 nan 8.240 nan 0.000 0.512 218 E N 1.459 121.681 120.200 0.037 0.000 2.281 218 E HA 0.469 4.820 4.350 0.001 0.000 0.266 218 E C -3.334 173.315 176.600 0.081 0.000 0.893 218 E CA -2.508 53.923 56.400 0.051 0.000 0.798 218 E CB 1.918 31.643 29.700 0.041 0.000 1.245 218 E HN -0.045 nan 8.360 nan 0.000 0.410 219 P HA -0.074 nan 4.420 nan 0.000 0.261 219 P C 0.775 178.122 177.300 0.079 0.000 1.183 219 P CA -0.118 63.029 63.100 0.079 0.000 0.761 219 P CB 1.094 32.828 31.700 0.057 0.000 0.785 220 V N 4.027 123.991 119.914 0.084 0.000 2.358 220 V HA -0.171 3.950 4.120 0.001 0.000 0.246 220 V C 2.504 178.633 176.094 0.058 0.000 1.047 220 V CA 2.614 64.959 62.300 0.074 0.000 1.035 220 V CB -1.569 30.288 31.823 0.058 0.000 0.658 220 V HN 0.780 nan 8.190 nan 0.000 0.452 221 G N -0.148 108.677 108.800 0.042 0.000 2.446 221 G HA2 -0.270 3.691 3.960 0.001 0.000 0.217 221 G HA3 -0.270 3.691 3.960 0.001 0.000 0.217 221 G C 1.696 176.624 174.900 0.046 0.000 1.168 221 G CA 1.682 46.803 45.100 0.035 0.000 0.771 221 G HN 0.466 nan 8.290 nan 0.000 0.551 222 T N 0.884 115.466 114.554 0.046 0.000 2.684 222 T HA -0.139 4.212 4.350 0.001 0.000 0.267 222 T C 2.539 177.274 174.700 0.058 0.000 1.036 222 T CA 1.360 63.487 62.100 0.044 0.000 1.148 222 T CB -0.399 68.492 68.868 0.038 0.000 0.863 222 T HN 0.059 nan 8.240 nan 0.000 0.436 223 V N 1.587 121.547 119.914 0.077 0.000 2.332 223 V HA -0.158 3.963 4.120 0.001 0.000 0.248 223 V C 2.502 178.697 176.094 0.168 0.000 1.055 223 V CA 1.573 63.938 62.300 0.109 0.000 1.038 223 V CB -0.732 31.169 31.823 0.129 0.000 0.651 223 V HN 0.442 nan 8.190 nan 0.000 0.450 224 L N -0.709 120.612 121.223 0.164 0.000 2.056 224 L HA -0.179 4.161 4.340 0.001 0.000 0.207 224 L C 2.601 179.571 176.870 0.166 0.000 1.078 224 L CA 1.679 56.649 54.840 0.217 0.000 0.749 224 L CB -0.658 41.464 42.059 0.105 0.000 0.901 224 L HN 0.273 nan 8.230 nan 0.000 0.433 225 K N -0.321 120.132 120.400 0.088 0.000 2.063 225 K HA -0.260 4.061 4.320 0.001 0.000 0.208 225 K C 2.184 178.801 176.600 0.028 0.000 1.048 225 K CA 1.658 57.975 56.287 0.051 0.000 0.928 225 K CB -0.090 32.429 32.500 0.032 0.000 0.713 225 K HN 0.135 nan 8.250 nan 0.000 0.442 226 Q N 1.097 120.910 119.800 0.021 0.000 2.123 226 Q HA -0.061 4.279 4.340 0.001 0.000 0.196 226 Q C 1.144 177.096 176.000 -0.080 0.000 0.958 226 Q CA 1.535 57.327 55.803 -0.018 0.000 0.841 226 Q CB 0.379 29.113 28.738 -0.008 0.000 0.915 226 Q HN 0.280 nan 8.270 nan 0.000 0.455 227 E N -1.576 118.555 120.200 -0.116 0.000 2.415 227 E HA 0.030 4.380 4.350 0.001 0.000 0.197 227 E C -0.476 175.641 176.600 -0.805 0.000 1.007 227 E CA 0.121 56.276 56.400 -0.409 0.000 0.890 227 E CB 0.550 29.996 29.700 -0.423 0.000 0.891 227 E HN 0.300 nan 8.360 nan 0.000 0.496 228 Y N -0.049 120.242 120.300 -0.016 0.000 2.501 228 Y HA 0.201 4.752 4.550 0.001 0.000 0.331 228 Y C -1.924 173.963 175.900 -0.022 0.000 0.950 228 Y CA -1.869 56.216 58.100 -0.026 0.000 1.120 228 Y CB 0.835 39.286 38.460 -0.015 0.000 1.154 228 Y HN 0.035 nan 8.280 nan 0.000 0.630 229 P HA -0.162 nan 4.420 nan 0.000 0.220 229 P C 0.731 178.048 177.300 0.028 0.000 1.148 229 P CA 1.516 64.629 63.100 0.020 0.000 0.803 229 P CB 0.572 32.264 31.700 -0.014 0.000 0.782 230 E N -0.394 119.824 120.200 0.031 0.000 2.489 230 E HA 0.236 4.587 4.350 0.001 0.000 0.193 230 E C 0.942 177.567 176.600 0.041 0.000 1.057 230 E CA 0.220 56.635 56.400 0.026 0.000 0.866 230 E CB -0.049 29.659 29.700 0.014 0.000 0.916 230 E HN 0.213 nan 8.360 nan 0.000 0.500 231 G N 0.871 109.715 108.800 0.073 0.000 2.728 231 G HA2 -0.236 3.725 3.960 0.001 0.000 0.294 231 G HA3 -0.236 3.725 3.960 0.001 0.000 0.294 231 G C -0.242 174.686 174.900 0.046 0.000 1.342 231 G CA -0.420 44.715 45.100 0.058 0.000 0.866 231 G HN 0.346 nan 8.290 nan 0.000 0.534 232 V N -2.828 117.083 119.914 -0.005 0.000 2.715 232 V HA 0.800 4.921 4.120 0.001 0.000 0.310 232 V C 0.731 176.810 176.094 -0.025 0.000 1.054 232 V CA 0.249 62.526 62.300 -0.039 0.000 0.928 232 V CB 2.033 33.794 31.823 -0.103 0.000 1.007 232 V HN 0.737 nan 8.190 nan 0.000 0.437 233 D N 1.655 122.044 120.400 -0.019 0.000 2.213 233 D HA 0.127 4.768 4.640 0.001 0.000 0.205 233 D C 0.348 176.642 176.300 -0.011 0.000 0.961 233 D CA 1.342 55.336 54.000 -0.010 0.000 0.853 233 D CB 1.007 41.805 40.800 -0.003 0.000 0.967 233 D HN 0.442 nan 8.370 nan 0.000 0.496 234 V N 1.074 120.979 119.914 -0.014 0.000 2.808 234 V HA 0.296 4.417 4.120 0.001 0.000 0.308 234 V C -0.448 175.644 176.094 -0.002 0.000 1.099 234 V CA -0.840 61.459 62.300 -0.003 0.000 0.920 234 V CB 3.053 34.879 31.823 0.005 0.000 1.014 234 V HN -0.262 nan 8.190 nan 0.000 0.425 235 V N 3.849 123.769 119.914 0.011 0.000 2.444 235 V HA 0.373 4.494 4.120 0.001 0.000 0.294 235 V C -1.132 175.014 176.094 0.087 0.000 1.022 235 V CA -0.720 61.594 62.300 0.025 0.000 0.850 235 V CB 1.718 33.529 31.823 -0.019 0.000 0.992 235 V HN 0.814 nan 8.190 nan 0.000 0.426 236 Y N 3.922 124.208 120.300 -0.023 0.000 2.594 236 Y HA 0.430 4.981 4.550 0.000 0.000 0.342 236 Y C 0.396 176.309 175.900 0.022 0.000 1.010 236 Y CA -0.095 58.000 58.100 -0.008 0.000 1.270 236 Y CB 0.525 38.970 38.460 -0.026 0.000 1.125 236 Y HN 0.597 nan 8.280 nan 0.000 0.513 237 E N 3.270 123.446 120.200 -0.041 0.000 2.081 237 E HA 0.158 4.508 4.350 0.001 0.000 0.276 237 E C -0.149 176.456 176.600 0.008 0.000 0.950 237 E CA -0.012 56.410 56.400 0.037 0.000 0.776 237 E CB 1.353 31.118 29.700 0.108 0.000 1.094 237 E HN 0.714 nan 8.360 nan 0.000 0.402 238 S N 1.828 117.548 115.700 0.033 0.000 2.780 238 S HA 0.114 4.585 4.470 0.001 0.000 0.248 238 S C 1.024 175.636 174.600 0.021 0.000 1.036 238 S CA -0.210 58.001 58.200 0.019 0.000 1.061 238 S CB 0.459 63.669 63.200 0.017 0.000 1.037 238 S HN 0.196 nan 8.310 nan 0.000 0.584 239 V N 1.301 121.243 119.914 0.046 0.000 2.672 239 V HA 0.489 4.609 4.120 0.001 0.000 0.242 239 V C 1.631 177.762 176.094 0.062 0.000 1.059 239 V CA 1.003 63.308 62.300 0.009 0.000 1.081 239 V CB -0.680 31.126 31.823 -0.028 0.000 0.752 239 V HN 0.915 nan 8.190 nan 0.000 0.472 240 G N -0.770 108.118 108.800 0.147 0.000 2.728 240 G HA2 0.332 4.292 3.960 0.001 0.000 0.294 240 G HA3 0.332 4.292 3.960 0.001 0.000 0.294 240 G C 0.536 175.493 174.900 0.096 0.000 1.342 240 G CA -0.470 44.721 45.100 0.152 0.000 0.866 240 G HN 1.610 nan 8.290 nan 0.000 0.534 241 G N -0.779 108.040 108.800 0.031 0.000 2.611 241 G HA2 0.127 4.088 3.960 0.001 0.000 0.301 241 G HA3 0.127 4.088 3.960 0.001 0.000 0.301 241 G C 1.807 176.758 174.900 0.084 0.000 1.233 241 G CA 2.604 47.719 45.100 0.026 0.000 0.993 241 G HN 2.566 nan 8.290 nan 0.000 0.553 242 A N -1.628 121.216 122.820 0.041 0.000 2.019 242 A HA 0.172 4.492 4.320 0.001 0.000 0.219 242 A C 2.449 180.053 177.584 0.033 0.000 1.164 242 A CA 3.043 55.102 52.037 0.037 0.000 0.644 242 A CB -0.334 18.670 19.000 0.008 0.000 0.805 242 A HN 1.313 nan 8.150 nan 0.000 0.449 243 M N -1.469 118.143 119.600 0.019 0.000 2.132 243 M HA -0.013 4.468 4.480 0.001 0.000 0.263 243 M C 1.771 178.104 176.300 0.055 0.000 1.065 243 M CA 1.655 56.957 55.300 0.003 0.000 1.122 243 M CB -0.616 31.960 32.600 -0.041 0.000 1.365 243 M HN 0.470 nan 8.290 nan 0.000 0.411 244 F N 0.754 120.691 119.950 -0.021 0.000 2.095 244 F HA -0.270 4.258 4.527 0.001 0.000 0.298 244 F C 1.696 177.490 175.800 -0.010 0.000 1.104 244 F CA 2.142 60.137 58.000 -0.007 0.000 1.232 244 F CB -0.472 38.527 39.000 -0.002 0.000 0.987 244 F HN 0.198 nan 8.300 nan 0.000 0.475 245 D N 0.894 121.365 120.400 0.120 0.000 2.097 245 D HA -0.181 4.460 4.640 0.001 0.000 0.195 245 D C 2.219 178.476 176.300 -0.071 0.000 0.989 245 D CA 2.030 56.046 54.000 0.027 0.000 0.827 245 D CB -0.733 40.118 40.800 0.085 0.000 0.966 245 D HN 0.481 nan 8.370 nan 0.000 0.456 246 L N -0.609 120.585 121.223 -0.049 0.000 2.156 246 L HA 0.165 4.506 4.340 0.001 0.000 0.208 246 L C 2.203 179.019 176.870 -0.091 0.000 1.095 246 L CA 1.663 56.472 54.840 -0.052 0.000 0.770 246 L CB -0.907 41.138 42.059 -0.024 0.000 0.914 246 L HN -0.096 nan 8.230 nan 0.000 0.439 247 A N 0.307 123.043 122.820 -0.139 0.000 1.902 247 A HA -0.095 4.225 4.320 0.001 0.000 0.217 247 A C 2.315 179.771 177.584 -0.214 0.000 1.181 247 A CA 2.123 54.058 52.037 -0.170 0.000 0.623 247 A CB -1.169 17.715 19.000 -0.194 0.000 0.818 247 A HN 0.303 nan 8.150 nan 0.000 0.443 248 V N 0.607 120.329 119.914 -0.320 0.000 2.295 248 V HA -0.235 3.886 4.120 0.001 0.000 0.246 248 V C 2.119 178.132 176.094 -0.136 0.000 1.049 248 V CA 2.302 64.439 62.300 -0.272 0.000 1.024 248 V CB -0.786 30.839 31.823 -0.330 0.000 0.648 248 V HN 0.494 nan 8.190 nan 0.000 0.447 249 D N 0.454 120.791 120.400 -0.104 0.000 2.218 249 D HA -0.085 4.556 4.640 0.001 0.000 0.204 249 D C 1.969 178.245 176.300 -0.040 0.000 0.976 249 D CA 1.514 55.481 54.000 -0.054 0.000 0.853 249 D CB -0.164 40.614 40.800 -0.036 0.000 0.939 249 D HN 0.476 nan 8.370 nan 0.000 0.481 250 A N 0.094 122.885 122.820 -0.049 0.000 2.238 250 A HA 0.118 4.439 4.320 0.001 0.000 0.208 250 A C 1.005 178.570 177.584 -0.032 0.000 1.177 250 A CA -0.147 51.873 52.037 -0.029 0.000 0.804 250 A CB -0.278 18.703 19.000 -0.032 0.000 0.823 250 A HN 0.140 nan 8.150 nan 0.000 0.482 251 L N 0.811 122.006 121.223 -0.047 0.000 2.453 251 L HA 0.305 4.645 4.340 0.001 0.000 0.272 251 L C 1.029 177.888 176.870 -0.018 0.000 1.182 251 L CA -0.510 54.307 54.840 -0.038 0.000 0.858 251 L CB 0.666 42.696 42.059 -0.048 0.000 1.120 251 L HN 0.338 nan 8.230 nan 0.000 0.474 252 A N 2.891 125.705 122.820 -0.010 0.000 2.327 252 A HA 0.286 4.607 4.320 0.001 0.000 0.255 252 A C 0.402 177.984 177.584 -0.003 0.000 1.099 252 A CA -0.382 51.655 52.037 -0.001 0.000 0.801 252 A CB 0.038 19.040 19.000 0.004 0.000 1.062 252 A HN 0.703 nan 8.150 nan 0.000 0.496 253 T N 1.781 116.335 114.554 0.000 0.000 2.908 253 T HA 0.211 4.561 4.350 0.001 0.000 0.301 253 T C 0.529 175.230 174.700 0.002 0.000 1.019 253 T CA 0.989 63.089 62.100 0.001 0.000 1.152 253 T CB -0.030 68.839 68.868 0.002 0.000 0.966 253 T HN 0.676 nan 8.240 nan 0.000 0.540 254 K N -0.329 120.072 120.400 0.003 0.000 3.407 254 K HA -0.144 4.176 4.320 0.001 0.000 0.312 254 K C 0.889 177.491 176.600 0.004 0.000 1.302 254 K CA 0.575 56.865 56.287 0.005 0.000 0.931 254 K CB -1.857 30.647 32.500 0.007 0.000 1.257 254 K HN 0.872 nan 8.250 nan 0.000 0.454 255 G N 1.331 110.131 108.800 -0.001 0.000 2.554 255 G HA2 0.188 4.149 3.960 0.001 0.000 0.238 255 G HA3 0.188 4.149 3.960 0.001 0.000 0.238 255 G C -0.403 174.495 174.900 -0.003 0.000 1.259 255 G CA -0.160 44.936 45.100 -0.006 0.000 0.843 255 G HN 0.260 nan 8.290 nan 0.000 0.582 256 R N 1.382 121.881 120.500 -0.002 0.000 2.532 256 R HA 0.450 4.790 4.340 0.001 0.000 0.297 256 R C -1.176 175.125 176.300 0.002 0.000 0.984 256 R CA -0.826 55.278 56.100 0.008 0.000 0.884 256 R CB 1.297 31.610 30.300 0.021 0.000 1.182 256 R HN 0.464 nan 8.270 nan 0.000 0.442 257 L N 6.804 128.027 121.223 -0.000 0.000 2.255 257 L HA 0.470 4.810 4.340 0.001 0.000 0.289 257 L C -0.836 176.065 176.870 0.052 0.000 1.046 257 L CA -0.591 54.248 54.840 -0.002 0.000 0.816 257 L CB 0.793 42.809 42.059 -0.071 0.000 1.197 257 L HN 0.677 nan 8.230 nan 0.000 0.427 258 I N 5.907 126.503 120.570 0.042 0.000 2.312 258 I HA 0.150 4.320 4.170 0.001 0.000 0.291 258 I C -0.162 175.977 176.117 0.037 0.000 1.031 258 I CA -0.632 60.691 61.300 0.038 0.000 1.293 258 I CB 1.462 39.451 38.000 -0.019 0.000 1.403 258 I HN 0.274 nan 8.210 nan 0.000 0.484 259 V N 7.759 127.748 119.914 0.124 0.000 2.356 259 V HA 0.111 4.231 4.120 0.001 0.000 0.258 259 V C 1.168 177.331 176.094 0.116 0.000 1.065 259 V CA -0.033 62.368 62.300 0.169 0.000 0.935 259 V CB 0.711 32.689 31.823 0.258 0.000 1.061 259 V HN 0.632 nan 8.190 nan 0.000 0.484 260 I N 2.825 123.389 120.570 -0.009 0.000 2.731 260 I HA 0.339 4.509 4.170 0.001 0.000 0.260 260 I C 1.198 177.317 176.117 0.005 0.000 1.138 260 I CA 1.123 62.386 61.300 -0.062 0.000 1.461 260 I CB -0.245 37.497 38.000 -0.430 0.000 1.128 260 I HN 0.714 nan 8.210 nan 0.000 0.438 261 G N 0.715 109.514 108.800 -0.002 0.000 2.428 261 G HA2 0.454 4.414 3.960 0.001 0.000 0.304 261 G HA3 0.454 4.414 3.960 0.001 0.000 0.304 261 G C -1.809 173.055 174.900 -0.059 0.000 1.303 261 G CA -0.454 44.574 45.100 -0.120 0.000 0.825 261 G HN 0.020 nan 8.290 nan 0.000 0.484 262 F N -0.823 119.161 119.950 0.057 0.000 2.946 262 F HA 0.468 4.995 4.527 0.001 0.000 0.375 262 F C 0.648 176.087 175.800 -0.602 0.000 1.320 262 F CA -0.934 56.987 58.000 -0.132 0.000 1.181 262 F CB -0.022 38.959 39.000 -0.033 0.000 2.051 262 F HN 0.450 nan 8.300 nan 0.000 0.622 263 I N 1.036 121.207 120.570 -0.665 0.000 2.454 263 I HA -0.248 3.922 4.170 0.001 0.000 0.254 263 I C 2.357 178.250 176.117 -0.374 0.000 1.156 263 I CA 1.928 62.655 61.300 -0.955 0.000 1.433 263 I CB 0.240 37.997 38.000 -0.405 0.000 1.082 263 I HN 0.682 nan 8.210 nan 0.000 0.432 264 S N -0.032 115.578 115.700 -0.150 0.000 2.440 264 S HA -0.119 4.352 4.470 0.001 0.000 0.238 264 S C 1.868 176.495 174.600 0.045 0.000 1.010 264 S CA 1.115 59.308 58.200 -0.012 0.000 0.972 264 S CB -0.816 62.380 63.200 -0.005 0.000 0.774 264 S HN 0.554 nan 8.310 nan 0.000 0.501 265 G N -0.949 107.893 108.800 0.070 0.000 2.796 265 G HA2 0.167 4.128 3.960 0.001 0.000 0.210 265 G HA3 0.167 4.128 3.960 0.001 0.000 0.210 265 G C 0.971 176.073 174.900 0.336 0.000 1.146 265 G CA -0.022 45.197 45.100 0.198 0.000 0.779 265 G HN 0.485 nan 8.290 nan 0.000 0.535 266 Y N 1.288 121.728 120.300 0.232 0.000 2.274 266 Y HA -0.064 4.487 4.550 0.001 0.000 0.290 266 Y C 2.800 178.755 175.900 0.091 0.000 1.145 266 Y CA 0.547 58.760 58.100 0.188 0.000 1.203 266 Y CB -0.611 37.995 38.460 0.243 0.000 0.984 266 Y HN 0.303 nan 8.280 nan 0.000 0.533 267 Q N -0.081 119.838 119.800 0.198 0.000 2.435 267 Q HA -0.025 4.316 4.340 0.001 0.000 0.207 267 Q C 0.940 176.986 176.000 0.077 0.000 0.956 267 Q CA 0.792 56.627 55.803 0.053 0.000 0.917 267 Q CB -0.159 28.569 28.738 -0.017 0.000 0.997 267 Q HN 0.461 nan 8.270 nan 0.000 0.497 268 T N -2.159 112.462 114.554 0.111 0.000 2.828 268 T HA 0.122 4.473 4.350 0.001 0.000 0.290 268 T C -1.982 172.765 174.700 0.079 0.000 1.019 268 T CA -1.700 60.452 62.100 0.085 0.000 1.031 268 T CB 0.964 69.883 68.868 0.085 0.000 1.001 268 T HN -0.197 nan 8.240 nan 0.000 0.531 269 P HA -0.083 nan 4.420 nan 0.000 0.215 269 P C 1.762 179.094 177.300 0.053 0.000 1.153 269 P CA 1.608 64.737 63.100 0.048 0.000 0.853 269 P CB -0.261 31.459 31.700 0.034 0.000 0.788 270 T N -5.534 109.051 114.554 0.053 0.000 3.043 270 T HA 0.227 4.577 4.350 0.001 0.000 0.263 270 T C 1.686 176.439 174.700 0.088 0.000 1.094 270 T CA 0.833 62.964 62.100 0.051 0.000 1.127 270 T CB -0.916 67.969 68.868 0.028 0.000 0.905 270 T HN 0.251 nan 8.240 nan 0.000 0.490 271 G N 1.168 110.048 108.800 0.133 0.000 2.176 271 G HA2 -0.199 3.762 3.960 0.001 0.000 0.253 271 G HA3 -0.199 3.762 3.960 0.001 0.000 0.253 271 G C -0.051 175.048 174.900 0.333 0.000 0.979 271 G CA 0.271 45.514 45.100 0.238 0.000 0.641 271 G HN 0.645 nan 8.290 nan 0.000 0.530 272 L N 0.409 121.727 121.223 0.158 0.000 2.375 272 L HA 0.758 5.098 4.340 0.001 0.000 0.268 272 L C 0.501 177.362 176.870 -0.015 0.000 1.058 272 L CA -0.765 54.082 54.840 0.012 0.000 0.803 272 L CB 1.917 43.905 42.059 -0.119 0.000 1.212 272 L HN 0.108 nan 8.230 nan 0.000 0.451 273 S N 1.070 116.686 115.700 -0.140 0.000 2.456 273 S HA 0.527 4.998 4.470 0.001 0.000 0.316 273 S C -2.353 172.153 174.600 -0.158 0.000 1.089 273 S CA -1.274 56.870 58.200 -0.093 0.000 1.101 273 S CB 1.153 64.321 63.200 -0.052 0.000 0.995 273 S HN 0.295 nan 8.310 nan 0.000 0.468 274 P HA 0.235 nan 4.420 nan 0.000 0.268 274 P C -0.968 176.279 177.300 -0.088 0.000 1.205 274 P CA -0.382 62.660 63.100 -0.097 0.000 0.771 274 P CB 0.534 32.205 31.700 -0.049 0.000 0.858 275 V N -0.820 119.034 119.914 -0.100 0.000 3.040 275 V HA 0.566 4.687 4.120 0.001 0.000 0.312 275 V C -0.357 175.742 176.094 0.008 0.000 1.115 275 V CA -1.419 60.860 62.300 -0.035 0.000 0.998 275 V CB 2.210 33.962 31.823 -0.119 0.000 1.042 275 V HN 0.050 nan 8.190 nan 0.000 0.433 276 K N 2.194 122.636 120.400 0.069 0.000 2.167 276 K HA 0.641 4.961 4.320 0.001 0.000 0.275 276 K C 0.726 177.375 176.600 0.083 0.000 1.103 276 K CA 0.741 57.065 56.287 0.062 0.000 0.963 276 K CB 0.405 32.941 32.500 0.062 0.000 1.243 276 K HN 0.903 nan 8.250 nan 0.000 0.407 277 A N 1.911 124.759 122.820 0.047 0.000 2.140 277 A HA 0.145 4.466 4.320 0.001 0.000 0.209 277 A C 2.042 179.648 177.584 0.037 0.000 1.181 277 A CA 0.699 52.767 52.037 0.051 0.000 0.824 277 A CB -0.109 18.896 19.000 0.007 0.000 0.879 277 A HN 0.648 nan 8.150 nan 0.000 0.480 278 G N 0.636 109.450 108.800 0.024 0.000 2.469 278 G HA2 -0.259 3.701 3.960 0.001 0.000 0.219 278 G HA3 -0.259 3.701 3.960 0.001 0.000 0.219 278 G C 1.471 176.384 174.900 0.020 0.000 1.150 278 G CA 1.958 47.068 45.100 0.017 0.000 0.763 278 G HN 0.748 nan 8.290 nan 0.000 0.561 279 T N -1.529 113.041 114.554 0.026 0.000 3.145 279 T HA 0.329 4.679 4.350 0.001 0.000 0.255 279 T C 1.918 176.635 174.700 0.029 0.000 1.039 279 T CA 0.159 62.272 62.100 0.023 0.000 0.928 279 T CB 0.366 69.245 68.868 0.018 0.000 1.029 279 T HN 0.047 nan 8.240 nan 0.000 0.554 280 L N 2.294 123.542 121.223 0.042 0.000 2.017 280 L HA 0.187 4.528 4.340 0.001 0.000 0.208 280 L C -0.902 175.992 176.870 0.040 0.000 1.073 280 L CA 1.674 56.546 54.840 0.054 0.000 0.745 280 L CB -1.134 40.981 42.059 0.095 0.000 0.894 280 L HN 0.092 nan 8.230 nan 0.000 0.432 281 P HA -0.182 nan 4.420 nan 0.000 0.216 281 P C 1.547 178.860 177.300 0.021 0.000 1.153 281 P CA 2.090 65.207 63.100 0.028 0.000 0.858 281 P CB -0.191 31.523 31.700 0.023 0.000 0.789 282 A N -0.157 122.673 122.820 0.018 0.000 1.902 282 A HA -0.224 4.096 4.320 0.001 0.000 0.217 282 A C 2.094 179.684 177.584 0.011 0.000 1.181 282 A CA 1.761 53.806 52.037 0.013 0.000 0.623 282 A CB -1.047 17.960 19.000 0.011 0.000 0.818 282 A HN 0.129 nan 8.150 nan 0.000 0.443 283 K N -0.359 120.047 120.400 0.011 0.000 2.063 283 K HA -0.094 4.226 4.320 0.001 0.000 0.208 283 K C 1.882 178.484 176.600 0.003 0.000 1.048 283 K CA 1.516 57.806 56.287 0.004 0.000 0.928 283 K CB -0.414 32.086 32.500 0.000 0.000 0.713 283 K HN 0.471 nan 8.250 nan 0.000 0.442 284 L N 0.826 122.054 121.223 0.009 0.000 2.056 284 L HA -0.152 4.188 4.340 0.001 0.000 0.207 284 L C 2.514 179.391 176.870 0.011 0.000 1.078 284 L CA 0.731 55.578 54.840 0.010 0.000 0.749 284 L CB -0.395 41.677 42.059 0.022 0.000 0.901 284 L HN 0.220 nan 8.230 nan 0.000 0.433 285 L N 0.198 121.428 121.223 0.012 0.000 2.012 285 L HA -0.269 4.071 4.340 0.001 0.000 0.210 285 L C 2.579 179.454 176.870 0.008 0.000 1.073 285 L CA 1.705 56.551 54.840 0.011 0.000 0.748 285 L CB -0.164 41.901 42.059 0.011 0.000 0.891 285 L HN 0.166 nan 8.230 nan 0.000 0.431 286 K N -0.442 119.962 120.400 0.006 0.000 2.283 286 K HA -0.132 4.188 4.320 0.001 0.000 0.202 286 K C 1.542 178.143 176.600 0.003 0.000 1.048 286 K CA 1.101 57.391 56.287 0.004 0.000 0.948 286 K CB 0.085 32.587 32.500 0.003 0.000 0.742 286 K HN 0.326 nan 8.250 nan 0.000 0.458 287 K N -0.039 120.362 120.400 0.002 0.000 2.373 287 K HA 0.156 4.476 4.320 0.001 0.000 0.202 287 K C -0.170 176.432 176.600 0.003 0.000 1.025 287 K CA 0.011 56.298 56.287 0.000 0.000 1.115 287 K CB 0.841 33.338 32.500 -0.005 0.000 0.858 287 K HN -0.121 nan 8.250 nan 0.000 0.525 288 S N 0.827 116.530 115.700 0.006 0.000 3.486 288 S HA -0.225 4.246 4.470 0.001 0.000 0.371 288 S C -0.074 174.531 174.600 0.009 0.000 1.001 288 S CA 0.600 58.806 58.200 0.009 0.000 1.164 288 S CB -1.213 61.992 63.200 0.008 0.000 0.911 288 S HN 0.556 nan 8.310 nan 0.000 0.472 289 A N 0.892 123.717 122.820 0.008 0.000 2.288 289 A HA 0.905 5.225 4.320 0.001 0.000 0.328 289 A C 0.314 177.907 177.584 0.015 0.000 1.123 289 A CA 0.049 52.090 52.037 0.006 0.000 0.861 289 A CB 1.426 20.423 19.000 -0.006 0.000 1.272 289 A HN 1.042 nan 8.150 nan 0.000 0.490 290 S N -0.916 114.795 115.700 0.018 0.000 2.599 290 S HA 0.738 5.209 4.470 0.001 0.000 0.287 290 S C -1.102 173.523 174.600 0.042 0.000 1.105 290 S CA -0.653 57.569 58.200 0.036 0.000 0.899 290 S CB 1.449 64.676 63.200 0.045 0.000 1.100 290 S HN 0.897 nan 8.310 nan 0.000 0.482 291 V N 2.070 122.028 119.914 0.074 0.000 2.409 291 V HA 0.641 4.761 4.120 0.001 0.000 0.291 291 V C -0.742 175.427 176.094 0.125 0.000 1.020 291 V CA -0.354 62.015 62.300 0.116 0.000 0.848 291 V CB 1.261 33.194 31.823 0.183 0.000 0.990 291 V HN 0.964 nan 8.190 nan 0.000 0.430 292 Q N 3.495 123.375 119.800 0.133 0.000 2.309 292 Q HA 0.657 4.997 4.340 0.001 0.000 0.270 292 Q C -0.099 176.007 176.000 0.177 0.000 1.023 292 Q CA -0.101 55.787 55.803 0.143 0.000 0.758 292 Q CB 1.830 30.643 28.738 0.125 0.000 1.247 292 Q HN 0.882 nan 8.270 nan 0.000 0.455 293 G N 2.638 111.554 108.800 0.195 0.000 2.467 293 G HA2 0.453 4.414 3.960 0.001 0.000 0.257 293 G HA3 0.453 4.414 3.960 0.001 0.000 0.257 293 G C -1.472 173.616 174.900 0.314 0.000 1.227 293 G CA -0.263 44.972 45.100 0.225 0.000 0.835 293 G HN 0.575 nan 8.290 nan 0.000 0.556 294 F N 1.923 121.965 119.950 0.153 0.000 2.585 294 F HA 0.631 5.158 4.527 0.001 0.000 0.319 294 F C -1.878 174.066 175.800 0.239 0.000 1.165 294 F CA -1.569 56.533 58.000 0.171 0.000 0.949 294 F CB 1.889 40.899 39.000 0.016 0.000 1.218 294 F HN 0.371 nan 8.300 nan 0.000 0.453 295 F N 8.098 127.705 119.950 -0.572 0.000 2.496 295 F HA 0.363 4.890 4.527 0.001 0.000 0.341 295 F C 0.169 175.516 175.800 -0.754 0.000 1.134 295 F CA -0.973 56.704 58.000 -0.537 0.000 0.968 295 F CB 1.558 40.258 39.000 -0.499 0.000 1.205 295 F HN 0.552 nan 8.300 nan 0.000 0.436 296 L N 4.813 125.506 121.223 -0.884 0.000 2.051 296 L HA -0.249 4.091 4.340 0.001 0.000 0.214 296 L C 1.634 178.240 176.870 -0.440 0.000 1.076 296 L CA 2.017 56.543 54.840 -0.523 0.000 0.758 296 L CB -0.731 41.217 42.059 -0.186 0.000 0.890 296 L HN 0.644 nan 8.230 nan 0.000 0.433 297 N N -0.880 117.323 118.700 -0.829 0.000 2.519 297 N HA -0.145 4.595 4.740 0.001 0.000 0.186 297 N C 1.381 176.790 175.510 -0.169 0.000 1.062 297 N CA 1.085 53.841 53.050 -0.490 0.000 0.910 297 N CB -0.423 37.739 38.487 -0.542 0.000 0.958 297 N HN 0.665 nan 8.380 nan 0.000 0.445 298 H N -2.366 116.654 119.070 -0.084 0.000 2.547 298 H HA 0.076 4.632 4.556 0.001 0.000 0.266 298 H C 0.112 175.270 175.328 -0.283 0.000 0.988 298 H CA 0.326 56.307 56.048 -0.112 0.000 1.147 298 H CB 0.249 29.956 29.762 -0.092 0.000 1.365 298 H HN 0.234 nan 8.280 nan 0.000 0.589 299 Y N -0.008 120.304 120.300 0.020 0.000 2.716 299 Y HA 0.171 4.721 4.550 0.001 0.000 0.260 299 Y C 0.987 176.956 175.900 0.114 0.000 1.141 299 Y CA -0.205 57.948 58.100 0.089 0.000 1.168 299 Y CB 0.451 39.003 38.460 0.152 0.000 1.189 299 Y HN 0.127 nan 8.280 nan 0.000 0.549 300 L N -0.440 120.870 121.223 0.144 0.000 2.362 300 L HA -0.154 4.186 4.340 0.001 0.000 0.219 300 L C 2.369 179.325 176.870 0.143 0.000 1.134 300 L CA 1.396 56.309 54.840 0.122 0.000 0.807 300 L CB -0.282 41.774 42.059 -0.005 0.000 0.927 300 L HN 0.366 nan 8.230 nan 0.000 0.447 301 S N -0.669 115.103 115.700 0.120 0.000 2.474 301 S HA -0.097 4.373 4.470 0.001 0.000 0.235 301 S C 1.714 176.405 174.600 0.150 0.000 0.997 301 S CA 0.618 58.884 58.200 0.110 0.000 0.949 301 S CB -0.049 63.196 63.200 0.073 0.000 0.766 301 S HN 0.313 nan 8.310 nan 0.000 0.517 302 K N -0.303 120.226 120.400 0.215 0.000 2.358 302 K HA 0.237 4.557 4.320 0.001 0.000 0.197 302 K C 1.105 177.807 176.600 0.170 0.000 1.025 302 K CA 0.025 56.438 56.287 0.211 0.000 1.104 302 K CB -0.339 32.335 32.500 0.290 0.000 0.855 302 K HN 0.573 nan 8.250 nan 0.000 0.531 303 Y N 2.378 122.721 120.300 0.071 0.000 2.153 303 Y HA -0.181 4.369 4.550 0.001 0.000 0.289 303 Y C 2.716 178.603 175.900 -0.021 0.000 1.127 303 Y CA 1.788 59.902 58.100 0.023 0.000 1.131 303 Y CB 0.228 38.700 38.460 0.019 0.000 0.995 303 Y HN 0.092 nan 8.280 nan 0.000 0.505 304 Q N 0.220 120.140 119.800 0.199 0.000 2.061 304 Q HA -0.236 4.104 4.340 0.001 0.000 0.204 304 Q C 2.330 178.307 176.000 -0.038 0.000 0.984 304 Q CA 1.701 57.564 55.803 0.099 0.000 0.846 304 Q CB -0.386 28.422 28.738 0.116 0.000 0.902 304 Q HN 0.600 nan 8.270 nan 0.000 0.421 305 A N 0.960 123.765 122.820 -0.025 0.000 1.883 305 A HA -0.177 4.144 4.320 0.001 0.000 0.217 305 A C 2.326 179.802 177.584 -0.180 0.000 1.186 305 A CA 2.012 54.017 52.037 -0.053 0.000 0.624 305 A CB -1.072 17.937 19.000 0.015 0.000 0.822 305 A HN 0.578 nan 8.150 nan 0.000 0.444 306 A N -1.170 121.460 122.820 -0.316 0.000 1.865 306 A HA -0.201 4.119 4.320 0.001 0.000 0.217 306 A C 2.188 179.344 177.584 -0.712 0.000 1.191 306 A CA 2.523 54.080 52.037 -0.801 0.000 0.623 306 A CB -0.562 18.037 19.000 -0.668 0.000 0.826 306 A HN 0.512 nan 8.150 nan 0.000 0.444 307 M N 0.285 119.556 119.600 -0.548 0.000 2.108 307 M HA -0.095 4.386 4.480 0.001 0.000 0.261 307 M C 2.230 178.376 176.300 -0.256 0.000 1.066 307 M CA 2.110 57.150 55.300 -0.432 0.000 1.107 307 M CB -0.835 31.518 32.600 -0.411 0.000 1.356 307 M HN 0.356 nan 8.290 nan 0.000 0.406 308 S N -1.278 114.312 115.700 -0.182 0.000 2.368 308 S HA -0.194 4.277 4.470 0.001 0.000 0.225 308 S C 1.981 176.555 174.600 -0.043 0.000 1.030 308 S CA 1.430 59.572 58.200 -0.097 0.000 0.999 308 S CB -0.673 62.489 63.200 -0.063 0.000 0.844 308 S HN 0.688 nan 8.310 nan 0.000 0.459 309 H N 0.654 119.602 119.070 -0.202 0.000 2.357 309 H HA 0.078 4.634 4.556 0.001 0.000 0.301 309 H C 2.036 177.294 175.328 -0.117 0.000 1.082 309 H CA 0.977 56.950 56.048 -0.126 0.000 1.342 309 H CB -0.053 29.661 29.762 -0.079 0.000 1.389 309 H HN 0.244 nan 8.280 nan 0.000 0.511 310 L N 0.451 121.543 121.223 -0.219 0.000 2.046 310 L HA -0.220 4.121 4.340 0.001 0.000 0.208 310 L C 2.653 179.457 176.870 -0.110 0.000 1.077 310 L CA 0.827 55.531 54.840 -0.226 0.000 0.747 310 L CB -0.316 41.544 42.059 -0.331 0.000 0.896 310 L HN 0.337 nan 8.230 nan 0.000 0.432 311 L N -0.391 120.767 121.223 -0.108 0.000 2.079 311 L HA -0.251 4.090 4.340 0.001 0.000 0.210 311 L C 2.692 179.545 176.870 -0.029 0.000 1.081 311 L CA 1.381 56.173 54.840 -0.079 0.000 0.752 311 L CB -0.399 41.577 42.059 -0.139 0.000 0.896 311 L HN 0.380 nan 8.230 nan 0.000 0.433 312 E N 0.060 120.261 120.200 0.002 0.000 2.072 312 E HA -0.238 4.113 4.350 0.001 0.000 0.191 312 E C 2.321 178.955 176.600 0.056 0.000 0.985 312 E CA 1.102 57.526 56.400 0.040 0.000 0.801 312 E CB 0.010 29.761 29.700 0.085 0.000 0.750 312 E HN 0.454 nan 8.360 nan 0.000 0.452 313 M N 0.267 119.896 119.600 0.048 0.000 2.132 313 M HA -0.155 4.325 4.480 0.001 0.000 0.263 313 M C 2.765 179.096 176.300 0.051 0.000 1.065 313 M CA 1.091 56.412 55.300 0.034 0.000 1.122 313 M CB -0.412 32.171 32.600 -0.029 0.000 1.365 313 M HN 0.378 nan 8.290 nan 0.000 0.411 314 C N 0.586 119.925 119.300 0.066 0.000 2.436 314 C HA -0.098 4.363 4.460 0.001 0.000 0.277 314 C C 2.813 177.879 174.990 0.126 0.000 1.241 314 C CA 1.355 60.443 59.018 0.116 0.000 1.721 314 C CB -0.894 26.952 27.740 0.177 0.000 2.043 314 C HN 0.526 nan 8.230 nan 0.000 0.472 315 V N 1.569 121.557 119.914 0.123 0.000 2.667 315 V HA -0.017 4.103 4.120 0.001 0.000 0.252 315 V C 2.329 178.469 176.094 0.077 0.000 1.065 315 V CA 2.524 64.898 62.300 0.123 0.000 1.083 315 V CB -1.396 30.479 31.823 0.086 0.000 0.692 315 V HN 0.740 nan 8.190 nan 0.000 0.468 316 S N 0.500 116.236 115.700 0.061 0.000 2.522 316 S HA 0.276 4.747 4.470 0.001 0.000 0.227 316 S C 1.818 176.442 174.600 0.041 0.000 0.986 316 S CA 0.931 59.159 58.200 0.046 0.000 0.929 316 S CB -0.247 62.980 63.200 0.044 0.000 0.769 316 S HN 1.971 nan 8.310 nan 0.000 0.529 317 G N 0.992 109.819 108.800 0.046 0.000 2.136 317 G HA2 -0.184 3.777 3.960 0.001 0.000 0.242 317 G HA3 -0.184 3.777 3.960 0.001 0.000 0.242 317 G C 0.137 175.052 174.900 0.026 0.000 0.989 317 G CA 0.291 45.412 45.100 0.034 0.000 0.682 317 G HN 0.556 nan 8.290 nan 0.000 0.522 318 D N -0.581 119.838 120.400 0.031 0.000 2.368 318 D HA 0.313 4.954 4.640 0.001 0.000 0.218 318 D C 0.294 176.606 176.300 0.020 0.000 1.112 318 D CA 0.224 54.237 54.000 0.021 0.000 0.834 318 D CB 0.808 41.623 40.800 0.026 0.000 0.953 318 D HN 0.389 nan 8.370 nan 0.000 0.505 319 L N 0.827 122.072 121.223 0.037 0.000 2.516 319 L HA 0.239 4.579 4.340 0.001 0.000 0.267 319 L C -1.115 175.793 176.870 0.063 0.000 0.957 319 L CA -0.730 54.147 54.840 0.061 0.000 0.860 319 L CB 2.112 44.234 42.059 0.105 0.000 1.265 319 L HN -0.343 nan 8.230 nan 0.000 0.403 320 V N 4.081 124.005 119.914 0.016 0.000 2.470 320 V HA 0.148 4.268 4.120 0.001 0.000 0.276 320 V C -0.044 176.047 176.094 -0.005 0.000 1.040 320 V CA -0.071 62.228 62.300 -0.001 0.000 1.008 320 V CB 0.764 32.559 31.823 -0.047 0.000 0.990 320 V HN 0.883 nan 8.190 nan 0.000 0.477 321 C N 4.834 124.160 119.300 0.045 0.000 2.439 321 C HA 0.367 4.828 4.460 0.001 0.000 0.298 321 C C 0.509 175.503 174.990 0.007 0.000 1.094 321 C CA -0.913 58.151 59.018 0.076 0.000 1.609 321 C CB -0.802 27.050 27.740 0.187 0.000 1.723 321 C HN 0.936 nan 8.230 nan 0.000 0.423 322 E N 1.500 121.680 120.200 -0.033 0.000 2.324 322 E HA 0.353 4.703 4.350 0.001 0.000 0.271 322 E C -0.604 175.952 176.600 -0.072 0.000 1.028 322 E CA 0.263 56.637 56.400 -0.042 0.000 0.890 322 E CB 0.611 30.276 29.700 -0.058 0.000 1.004 322 E HN 0.459 nan 8.360 nan 0.000 0.431 323 V N 5.004 124.871 119.914 -0.077 0.000 2.495 323 V HA 0.228 4.349 4.120 0.001 0.000 0.298 323 V C -0.577 175.480 176.094 -0.062 0.000 1.031 323 V CA -0.772 61.489 62.300 -0.065 0.000 0.871 323 V CB 1.867 33.631 31.823 -0.098 0.000 0.988 323 V HN 0.698 nan 8.190 nan 0.000 0.432 324 D N 4.253 124.646 120.400 -0.012 0.000 2.454 324 D HA 0.337 4.978 4.640 0.001 0.000 0.225 324 D C 0.290 176.635 176.300 0.074 0.000 1.081 324 D CA -0.175 53.840 54.000 0.025 0.000 0.864 324 D CB 1.627 42.489 40.800 0.103 0.000 1.040 324 D HN 0.431 nan 8.370 nan 0.000 0.517 325 L N 2.491 123.698 121.223 -0.027 0.000 2.629 325 L HA 0.232 4.572 4.340 0.001 0.000 0.230 325 L C 1.620 178.238 176.870 -0.421 0.000 1.151 325 L CA 0.257 55.078 54.840 -0.031 0.000 0.924 325 L CB 0.212 42.260 42.059 -0.019 0.000 1.137 325 L HN 0.724 nan 8.230 nan 0.000 0.457 326 G N -0.609 107.772 108.800 -0.698 0.000 2.143 326 G HA2 -0.285 3.676 3.960 0.001 0.000 0.249 326 G HA3 -0.285 3.676 3.960 0.001 0.000 0.249 326 G C 0.619 174.958 174.900 -0.935 0.000 0.981 326 G CA 0.396 44.539 45.100 -1.596 0.000 0.665 326 G HN 0.407 nan 8.290 nan 0.000 0.528 327 D N 0.054 120.160 120.400 -0.490 0.000 2.182 327 D HA -0.078 4.562 4.640 0.001 0.000 0.201 327 D C 2.356 178.505 176.300 -0.252 0.000 0.986 327 D CA 1.147 54.965 54.000 -0.303 0.000 0.847 327 D CB 0.085 40.777 40.800 -0.181 0.000 0.942 327 D HN 0.550 nan 8.370 nan 0.000 0.467 328 L N 1.003 122.085 121.223 -0.235 0.000 2.628 328 L HA 0.078 4.418 4.340 0.001 0.000 0.229 328 L C 1.198 178.004 176.870 -0.107 0.000 1.137 328 L CA -0.278 54.493 54.840 -0.114 0.000 0.909 328 L CB -0.001 42.047 42.059 -0.018 0.000 1.137 328 L HN -0.100 nan 8.230 nan 0.000 0.470 329 S N -0.546 114.942 115.700 -0.354 0.000 2.600 329 S HA 0.220 4.691 4.470 0.001 0.000 0.265 329 S C -1.505 173.029 174.600 -0.110 0.000 1.325 329 S CA -0.943 57.050 58.200 -0.345 0.000 1.002 329 S CB 0.921 63.672 63.200 -0.750 0.000 0.921 329 S HN -0.112 nan 8.310 nan 0.000 0.554 330 P HA -0.084 nan 4.420 nan 0.000 0.216 330 P C 0.532 177.830 177.300 -0.004 0.000 1.153 330 P CA 1.372 64.487 63.100 0.026 0.000 0.858 330 P CB -0.011 31.732 31.700 0.072 0.000 0.789 331 E N -0.977 119.218 120.200 -0.007 0.000 2.499 331 E HA 0.354 4.705 4.350 0.001 0.000 0.199 331 E C 0.840 177.406 176.600 -0.056 0.000 1.016 331 E CA -0.052 56.341 56.400 -0.011 0.000 0.933 331 E CB 0.043 29.759 29.700 0.027 0.000 1.050 331 E HN 0.126 nan 8.360 nan 0.000 0.462 332 G N 2.369 111.089 108.800 -0.134 0.000 2.693 332 G HA2 -0.334 3.627 3.960 0.001 0.000 0.226 332 G HA3 -0.334 3.627 3.960 0.001 0.000 0.226 332 G C -0.309 174.396 174.900 -0.324 0.000 1.354 332 G CA -0.478 44.499 45.100 -0.205 0.000 0.873 332 G HN 0.345 nan 8.290 nan 0.000 0.562 333 R N -0.627 119.702 120.500 -0.286 0.000 2.500 333 R HA 0.081 4.421 4.340 0.001 0.000 0.281 333 R C -0.040 176.141 176.300 -0.200 0.000 0.953 333 R CA 0.257 56.167 56.100 -0.317 0.000 1.108 333 R CB -0.320 29.888 30.300 -0.154 0.000 0.901 333 R HN 0.339 nan 8.270 nan 0.000 0.410 334 F N 3.654 123.556 119.950 -0.081 0.000 2.600 334 F HA 0.135 4.662 4.527 0.001 0.000 0.345 334 F C 0.395 176.169 175.800 -0.044 0.000 1.271 334 F CA 0.067 58.024 58.000 -0.072 0.000 1.138 334 F CB 0.301 39.251 39.000 -0.084 0.000 1.449 334 F HN 0.270 nan 8.300 nan 0.000 0.645 335 T N 1.585 116.212 114.554 0.121 0.000 2.779 335 T HA 0.694 5.045 4.350 0.001 0.000 0.280 335 T C 0.235 174.955 174.700 0.032 0.000 0.987 335 T CA -0.419 61.711 62.100 0.051 0.000 0.966 335 T CB 1.396 70.276 68.868 0.020 0.000 0.933 335 T HN 0.944 nan 8.240 nan 0.000 0.442 336 G N 1.595 110.395 108.800 -0.001 0.000 2.712 336 G HA2 -0.143 3.817 3.960 0.001 0.000 0.686 336 G HA3 -0.143 3.817 3.960 0.001 0.000 0.686 336 G C 0.459 175.341 174.900 -0.029 0.000 1.321 336 G CA -0.732 44.361 45.100 -0.012 0.000 0.813 336 G HN 0.726 nan 8.290 nan 0.000 0.599 337 L N 0.669 121.871 121.223 -0.034 0.000 2.191 337 L HA -0.084 4.256 4.340 0.001 0.000 0.212 337 L C 2.982 179.831 176.870 -0.036 0.000 1.103 337 L CA 2.077 56.874 54.840 -0.071 0.000 0.769 337 L CB -0.310 41.733 42.059 -0.025 0.000 0.908 337 L HN 0.885 nan 8.230 nan 0.000 0.438 338 E N 0.169 120.407 120.200 0.064 0.000 2.204 338 E HA -0.195 4.156 4.350 0.001 0.000 0.194 338 E C 2.000 178.714 176.600 0.190 0.000 0.989 338 E CA 1.492 58.008 56.400 0.195 0.000 0.824 338 E CB -0.359 29.421 29.700 0.133 0.000 0.756 338 E HN 0.538 nan 8.360 nan 0.000 0.477 339 S N 0.826 116.560 115.700 0.056 0.000 2.515 339 S HA -0.018 4.452 4.470 0.001 0.000 0.231 339 S C 2.083 176.573 174.600 -0.183 0.000 0.987 339 S CA 0.292 58.507 58.200 0.024 0.000 0.936 339 S CB -0.664 62.594 63.200 0.097 0.000 0.766 339 S HN 0.238 nan 8.310 nan 0.000 0.528 340 I N 0.534 120.917 120.570 -0.312 0.000 2.264 340 I HA -0.157 4.014 4.170 0.001 0.000 0.248 340 I C 2.024 177.795 176.117 -0.577 0.000 1.111 340 I CA 1.401 62.336 61.300 -0.609 0.000 1.382 340 I CB -0.490 36.980 38.000 -0.883 0.000 1.060 340 I HN 0.227 nan 8.210 nan 0.000 0.418 341 F N 0.889 120.739 119.950 -0.165 0.000 2.069 341 F HA -0.205 4.322 4.527 0.001 0.000 0.298 341 F C 2.702 178.434 175.800 -0.113 0.000 1.113 341 F CA 1.447 59.413 58.000 -0.057 0.000 1.214 341 F CB -0.720 38.325 39.000 0.075 0.000 0.978 341 F HN -0.108 nan 8.300 nan 0.000 0.474 342 R N 0.216 120.765 120.500 0.082 0.000 2.091 342 R HA -0.150 4.191 4.340 0.001 0.000 0.238 342 R C 2.405 178.620 176.300 -0.142 0.000 1.136 342 R CA 1.297 57.417 56.100 0.034 0.000 0.959 342 R CB -0.965 29.397 30.300 0.103 0.000 0.856 342 R HN 0.340 nan 8.270 nan 0.000 0.437 343 A N 0.777 123.258 122.820 -0.565 0.000 1.898 343 A HA -0.083 4.238 4.320 0.001 0.000 0.216 343 A C 2.405 179.808 177.584 -0.301 0.000 1.181 343 A CA 1.173 52.673 52.037 -0.894 0.000 0.620 343 A CB -0.450 17.781 19.000 -1.282 0.000 0.819 343 A HN 0.100 nan 8.150 nan 0.000 0.442 344 V N 1.212 120.947 119.914 -0.299 0.000 2.295 344 V HA -0.286 3.834 4.120 0.001 0.000 0.246 344 V C 2.300 178.471 176.094 0.129 0.000 1.049 344 V CA 2.161 64.385 62.300 -0.126 0.000 1.024 344 V CB -1.046 30.527 31.823 -0.418 0.000 0.648 344 V HN 0.554 nan 8.190 nan 0.000 0.447 345 N N -0.493 118.271 118.700 0.107 0.000 2.094 345 N HA -0.229 4.512 4.740 0.001 0.000 0.191 345 N C 1.753 177.408 175.510 0.243 0.000 1.023 345 N CA 1.826 54.993 53.050 0.194 0.000 0.857 345 N CB -0.614 37.976 38.487 0.172 0.000 1.013 345 N HN 0.590 nan 8.380 nan 0.000 0.426 346 Y N 1.386 121.731 120.300 0.075 0.000 2.165 346 Y HA -0.123 4.427 4.550 0.001 0.000 0.286 346 Y C 2.592 178.526 175.900 0.056 0.000 1.155 346 Y CA 1.454 59.614 58.100 0.101 0.000 1.164 346 Y CB -0.443 38.132 38.460 0.191 0.000 0.978 346 Y HN 0.027 nan 8.280 nan 0.000 0.513 347 M N -1.560 118.086 119.600 0.077 0.000 2.080 347 M HA -0.306 4.175 4.480 0.001 0.000 0.260 347 M C 1.519 177.679 176.300 -0.234 0.000 1.068 347 M CA 2.062 57.291 55.300 -0.119 0.000 1.109 347 M CB -0.462 32.049 32.600 -0.149 0.000 1.342 347 M HN 0.316 nan 8.290 nan 0.000 0.405 348 Y N -0.486 119.830 120.300 0.028 0.000 2.561 348 Y HA 0.012 4.563 4.550 0.001 0.000 0.291 348 Y C 1.868 177.784 175.900 0.027 0.000 1.141 348 Y CA 0.693 58.818 58.100 0.040 0.000 1.303 348 Y CB -0.111 38.390 38.460 0.068 0.000 1.015 348 Y HN 0.277 nan 8.280 nan 0.000 0.547 349 M N -1.035 118.623 119.600 0.098 0.000 2.561 349 M HA 0.231 4.712 4.480 0.001 0.000 0.238 349 M C 1.467 177.733 176.300 -0.057 0.000 1.131 349 M CA 0.882 56.202 55.300 0.033 0.000 1.046 349 M CB -0.845 31.776 32.600 0.035 0.000 1.532 349 M HN 0.391 nan 8.290 nan 0.000 0.497 350 G N 1.522 110.254 108.800 -0.114 0.000 2.221 350 G HA2 -0.258 3.703 3.960 0.001 0.000 0.265 350 G HA3 -0.258 3.703 3.960 0.001 0.000 0.265 350 G C 0.888 175.651 174.900 -0.228 0.000 1.041 350 G CA 0.325 45.340 45.100 -0.141 0.000 0.807 350 G HN 0.362 nan 8.290 nan 0.000 0.502 351 K N 0.246 120.389 120.400 -0.430 0.000 2.356 351 K HA 0.040 4.360 4.320 0.001 0.000 0.195 351 K C 1.285 177.534 176.600 -0.585 0.000 1.037 351 K CA 0.350 56.292 56.287 -0.575 0.000 1.014 351 K CB 0.034 31.996 32.500 -0.895 0.000 0.815 351 K HN 0.790 nan 8.250 nan 0.000 0.507 352 N N 1.318 119.712 118.700 -0.511 0.000 2.530 352 N HA 0.007 4.748 4.740 0.001 0.000 0.273 352 N C -0.756 174.658 175.510 -0.160 0.000 1.173 352 N CA 0.278 53.216 53.050 -0.187 0.000 0.967 352 N CB 0.797 39.271 38.487 -0.022 0.000 1.109 352 N HN -0.294 nan 8.380 nan 0.000 0.453 353 T N 0.882 115.332 114.554 -0.174 0.000 2.791 353 T HA 0.616 4.966 4.350 0.001 0.000 0.288 353 T C 0.591 175.056 174.700 -0.392 0.000 0.999 353 T CA 0.336 62.221 62.100 -0.358 0.000 0.952 353 T CB 0.711 69.273 68.868 -0.509 0.000 0.938 353 T HN 0.932 nan 8.240 nan 0.000 0.444 354 G N 3.221 111.809 108.800 -0.353 0.000 2.642 354 G HA2 -0.178 3.783 3.960 0.001 0.000 0.231 354 G HA3 -0.178 3.783 3.960 0.001 0.000 0.231 354 G C -0.472 174.387 174.900 -0.068 0.000 1.338 354 G CA -0.417 44.562 45.100 -0.202 0.000 0.883 354 G HN 0.853 nan 8.290 nan 0.000 0.570 355 K N 0.236 120.625 120.400 -0.019 0.000 2.297 355 K HA 0.563 4.883 4.320 0.001 0.000 0.286 355 K C 0.681 177.320 176.600 0.066 0.000 1.053 355 K CA -0.442 55.875 56.287 0.049 0.000 0.940 355 K CB 0.239 32.795 32.500 0.094 0.000 1.019 355 K HN 0.479 nan 8.250 nan 0.000 0.475 356 I N 5.137 125.764 120.570 0.096 0.000 2.517 356 I HA 0.068 4.239 4.170 0.001 0.000 0.285 356 I C -0.501 175.686 176.117 0.117 0.000 1.106 356 I CA -0.301 61.084 61.300 0.142 0.000 1.402 356 I CB 0.553 38.633 38.000 0.133 0.000 1.399 356 I HN 0.267 nan 8.210 nan 0.000 0.535 357 V N 7.269 127.277 119.914 0.158 0.000 2.709 357 V HA 0.369 4.489 4.120 0.001 0.000 0.308 357 V C -0.174 176.056 176.094 0.227 0.000 1.062 357 V CA -0.747 61.643 62.300 0.149 0.000 0.901 357 V CB 2.304 34.177 31.823 0.083 0.000 1.003 357 V HN 0.344 nan 8.190 nan 0.000 0.425 358 V N 4.155 124.174 119.914 0.175 0.000 2.394 358 V HA 0.404 4.525 4.120 0.001 0.000 0.282 358 V C 0.144 176.355 176.094 0.195 0.000 1.031 358 V CA -0.580 61.808 62.300 0.147 0.000 0.881 358 V CB 1.546 33.340 31.823 -0.048 0.000 0.982 358 V HN 1.057 nan 8.190 nan 0.000 0.451 359 E N 5.796 126.093 120.200 0.162 0.000 2.266 359 E HA 0.624 4.974 4.350 0.001 0.000 0.277 359 E C -1.036 175.493 176.600 -0.119 0.000 1.018 359 E CA -0.755 55.626 56.400 -0.033 0.000 0.840 359 E CB 1.599 31.296 29.700 -0.005 0.000 1.082 359 E HN 0.575 nan 8.360 nan 0.000 0.395 360 L N 3.192 124.263 121.223 -0.254 0.000 2.637 360 L HA 0.362 4.702 4.340 0.001 0.000 0.241 360 L C -2.242 174.480 176.870 -0.247 0.000 1.398 360 L CA -1.898 52.824 54.840 -0.196 0.000 0.895 360 L CB 0.739 42.696 42.059 -0.172 0.000 1.183 360 L HN 0.470 nan 8.230 nan 0.000 0.497 361 P HA 0.194 nan 4.420 nan 0.000 0.276 361 P C -0.239 176.998 177.300 -0.106 0.000 1.252 361 P CA -0.270 62.748 63.100 -0.137 0.000 0.802 361 P CB 0.864 32.528 31.700 -0.060 0.000 1.035 362 H N 0.000 119.019 119.070 -0.085 0.000 2.539 362 H HA 0.000 4.556 4.556 0.001 0.000 0.296 362 H CA 0.000 56.018 56.048 -0.050 0.000 1.023 362 H CB 0.000 29.741 29.762 -0.035 0.000 1.292 362 H HN 0.000 nan 8.280 nan 0.000 0.496