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 3k28_1_B DATA FIRST_RESID 2 DATA SEQUENCE RKFDKSIAAF EEAQDLXPGG VNSPVRAFKS VGXNPLFXER GKGSKVYDID DATA SEQUENCE GNEYIDYVLS WGPLIHGHAN DRVVEALKAV AERGTSFGAP TEIENKLAKL DATA SEQUENCE VIERVPSIEI VRXVNSGTEA TXSALRLARG YTGRNKILKF IGCYHGHGDS DATA SEQUENCE LLIKAGSGVX XXXXXDSPGV PEGVAKNTIT VAYNDLESVK YAFEQFGDDI DATA SEQUENCE ACVIVEPVAG NXGVVPPQPG FLEGLREVTE QNGALLIFDE VXTGFRVAYN DATA SEQUENCE CGQGYYGVTP DLTCLGKVIG GGLPVGAYGG KAEIXRQVAP SGPIYQAGTL DATA SEQUENCE SGNPLAXAAG YETLVQLTPE SYVEFERKAE XLEAGLRKAA EKHGIPHHIN DATA SEQUENCE RAGSXIGIFF TDEPVINYDA AKSSNLQFFA AYYREXVEQG VFLPPSQFEG DATA SEQUENCE LFLSTVHSDA DIEATIAAAE IAXSKLK 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 175.937 176.300 -0.606 0.000 0.893 2 R CA 0.000 55.875 56.100 -0.375 0.000 0.921 2 R CB 0.000 30.081 30.300 -0.365 0.000 0.687 3 K N 1.730 121.716 120.400 -0.690 0.000 2.207 3 K HA 0.578 4.898 4.320 -0.000 0.000 0.255 3 K C -0.481 175.647 176.600 -0.787 0.000 0.941 3 K CA -0.458 55.496 56.287 -0.554 0.000 0.825 3 K CB 0.950 33.298 32.500 -0.252 0.000 1.119 3 K HN 0.496 nan 8.250 nan 0.000 0.430 4 F N -0.190 119.757 119.950 -0.005 0.000 2.775 4 F HA 0.232 4.759 4.527 -0.001 0.000 0.313 4 F C 1.204 176.992 175.800 -0.020 0.000 1.121 4 F CA -0.768 57.227 58.000 -0.009 0.000 1.206 4 F CB 0.402 39.392 39.000 -0.017 0.000 1.052 4 F HN 0.530 nan 8.300 nan 0.000 0.524 5 D N 1.355 121.796 120.400 0.067 0.000 2.116 5 D HA -0.184 4.456 4.640 -0.000 0.000 0.193 5 D C 1.930 178.236 176.300 0.010 0.000 0.998 5 D CA 1.498 55.519 54.000 0.034 0.000 0.836 5 D CB 0.057 40.857 40.800 -0.000 0.000 0.951 5 D HN 0.319 nan 8.370 nan 0.000 0.449 6 K N 0.542 120.939 120.400 -0.005 0.000 2.057 6 K HA -0.010 4.309 4.320 -0.000 0.000 0.206 6 K C 2.389 178.932 176.600 -0.095 0.000 1.050 6 K CA 0.686 56.947 56.287 -0.044 0.000 0.935 6 K CB -0.115 32.365 32.500 -0.033 0.000 0.715 6 K HN -0.059 nan 8.250 nan 0.000 0.439 7 S N 1.453 117.140 115.700 -0.021 0.000 2.382 7 S HA -0.086 4.384 4.470 -0.000 0.000 0.228 7 S C 1.992 176.541 174.600 -0.086 0.000 1.027 7 S CA 0.992 59.160 58.200 -0.052 0.000 0.991 7 S CB -0.207 63.081 63.200 0.147 0.000 0.823 7 S HN 0.197 nan 8.310 nan 0.000 0.469 8 I N 1.464 122.039 120.570 0.008 0.000 2.179 8 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 8 I C 2.677 178.798 176.117 0.006 0.000 1.088 8 I CA 1.189 62.518 61.300 0.048 0.000 1.357 8 I CB -0.470 37.569 38.000 0.064 0.000 1.051 8 I HN 0.266 nan 8.210 nan 0.000 0.409 9 A N 0.628 123.415 122.820 -0.054 0.000 1.902 9 A HA -0.140 4.179 4.320 -0.000 0.000 0.217 9 A C 2.515 180.008 177.584 -0.152 0.000 1.181 9 A CA 1.797 53.788 52.037 -0.077 0.000 0.623 9 A CB -0.814 18.143 19.000 -0.072 0.000 0.818 9 A HN 0.437 nan 8.150 nan 0.000 0.443 10 A N -1.544 121.076 122.820 -0.332 0.000 1.930 10 A HA -0.016 4.303 4.320 -0.000 0.000 0.217 10 A C 1.980 179.314 177.584 -0.417 0.000 1.175 10 A CA 1.526 53.213 52.037 -0.583 0.000 0.627 10 A CB -0.635 17.603 19.000 -1.271 0.000 0.815 10 A HN 0.565 nan 8.150 nan 0.000 0.443 11 F N 0.611 120.319 119.950 -0.404 0.000 2.325 11 F HA -0.021 4.506 4.527 -0.000 0.000 0.299 11 F C 2.079 177.899 175.800 0.033 0.000 1.090 11 F CA 1.594 59.631 58.000 0.062 0.000 1.392 11 F CB -0.134 38.985 39.000 0.197 0.000 1.053 11 F HN 0.303 nan 8.300 nan 0.000 0.521 12 E N 0.573 120.759 120.200 -0.023 0.000 2.077 12 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 12 E C 2.200 178.731 176.600 -0.114 0.000 0.989 12 E CA 1.649 57.997 56.400 -0.087 0.000 0.800 12 E CB -0.348 29.330 29.700 -0.035 0.000 0.746 12 E HN 0.569 nan 8.360 nan 0.000 0.452 13 E N -0.713 119.436 120.200 -0.085 0.000 2.072 13 E HA -0.157 4.192 4.350 -0.000 0.000 0.191 13 E C 1.936 178.503 176.600 -0.055 0.000 0.985 13 E CA 0.876 57.240 56.400 -0.060 0.000 0.801 13 E CB -0.181 29.493 29.700 -0.044 0.000 0.750 13 E HN 0.299 nan 8.360 nan 0.000 0.452 14 A N 1.645 124.446 122.820 -0.031 0.000 1.908 14 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 14 A C 2.102 179.601 177.584 -0.141 0.000 1.181 14 A CA 1.954 53.994 52.037 0.005 0.000 0.627 14 A CB -0.798 18.333 19.000 0.218 0.000 0.818 14 A HN 0.522 nan 8.150 nan 0.000 0.445 15 Q N -0.998 118.605 119.800 -0.329 0.000 2.437 15 Q HA -0.118 4.222 4.340 -0.000 0.000 0.210 15 Q C 0.137 176.051 176.000 -0.144 0.000 0.972 15 Q CA 1.327 56.951 55.803 -0.298 0.000 0.903 15 Q CB -0.253 28.229 28.738 -0.427 0.000 0.967 15 Q HN 0.500 nan 8.270 nan 0.000 0.486 16 D N 0.375 120.714 120.400 -0.102 0.000 2.339 16 D HA 0.232 4.872 4.640 -0.000 0.000 0.217 16 D C 0.303 176.581 176.300 -0.037 0.000 1.050 16 D CA 0.255 54.220 54.000 -0.059 0.000 0.856 16 D CB 0.464 41.236 40.800 -0.047 0.000 0.922 16 D HN 0.256 nan 8.370 nan 0.000 0.518 20 G N 1.013 109.823 108.800 0.016 0.000 2.166 20 G HA2 0.085 4.045 3.960 -0.000 0.000 0.260 20 G HA3 0.085 4.045 3.960 -0.000 0.000 0.260 20 G C 0.996 175.949 174.900 0.089 0.000 0.986 20 G CA 1.010 46.147 45.100 0.062 0.000 0.683 20 G HN 1.821 nan 8.290 nan 0.000 0.527 21 G N -2.602 106.187 108.800 -0.018 0.000 2.153 21 G HA2 0.121 4.081 3.960 -0.000 0.000 0.252 21 G HA3 0.121 4.081 3.960 -0.000 0.000 0.252 21 G C 0.845 175.864 174.900 0.198 0.000 0.994 21 G CA 1.603 46.670 45.100 -0.055 0.000 0.698 21 G HN 2.424 nan 8.290 nan 0.000 0.521 22 V N -4.671 115.337 119.914 0.158 0.000 3.130 22 V HA 0.781 4.901 4.120 -0.000 0.000 0.310 22 V C 0.582 176.714 176.094 0.062 0.000 1.158 22 V CA -0.763 61.620 62.300 0.138 0.000 1.029 22 V CB 1.897 33.813 31.823 0.154 0.000 1.057 22 V HN -0.083 nan 8.190 nan 0.000 0.436 23 N N 0.826 119.550 118.700 0.040 0.000 2.280 23 N HA 0.225 4.964 4.740 -0.000 0.000 0.192 23 N C 0.152 175.653 175.510 -0.015 0.000 1.109 23 N CA 0.690 53.749 53.050 0.015 0.000 0.855 23 N CB 1.061 39.562 38.487 0.023 0.000 0.974 23 N HN 0.764 nan 8.380 nan 0.000 0.482 24 S N -0.248 115.435 115.700 -0.029 0.000 2.592 24 S HA 0.334 4.803 4.470 -0.000 0.000 0.275 24 S C -2.174 172.365 174.600 -0.103 0.000 1.169 24 S CA -1.065 57.082 58.200 -0.088 0.000 0.958 24 S CB 1.629 64.753 63.200 -0.126 0.000 1.095 24 S HN -0.225 nan 8.310 nan 0.000 0.471 25 P HA -0.148 nan 4.420 nan 0.000 0.217 25 P C 1.669 178.898 177.300 -0.119 0.000 1.151 25 P CA 1.653 64.692 63.100 -0.103 0.000 0.849 25 P CB -0.266 31.358 31.700 -0.125 0.000 0.787 26 V N -1.649 118.119 119.914 -0.243 0.000 2.594 26 V HA -0.198 3.922 4.120 -0.000 0.000 0.253 26 V C 2.027 178.053 176.094 -0.113 0.000 1.069 26 V CA 1.497 63.629 62.300 -0.280 0.000 1.082 26 V CB -1.427 29.988 31.823 -0.680 0.000 0.680 26 V HN 0.040 nan 8.190 nan 0.000 0.469 27 R N 1.118 121.601 120.500 -0.028 0.000 2.328 27 R HA 0.192 4.532 4.340 -0.000 0.000 0.207 27 R C 2.110 178.563 176.300 0.256 0.000 1.056 27 R CA 1.035 57.223 56.100 0.147 0.000 1.016 27 R CB -0.428 29.941 30.300 0.115 0.000 0.872 27 R HN 0.637 nan 8.270 nan 0.000 0.471 28 A N 0.265 123.188 122.820 0.170 0.000 2.251 28 A HA 0.062 4.381 4.320 -0.000 0.000 0.209 28 A C 0.168 177.889 177.584 0.228 0.000 1.187 28 A CA -0.151 51.983 52.037 0.163 0.000 0.823 28 A CB -0.261 18.855 19.000 0.192 0.000 0.846 28 A HN 0.350 nan 8.150 nan 0.000 0.486 29 F N -1.223 118.695 119.950 -0.054 0.000 3.084 29 F HA -0.302 4.225 4.527 -0.000 0.000 0.286 29 F C 1.382 177.155 175.800 -0.046 0.000 0.855 29 F CA 1.202 59.169 58.000 -0.056 0.000 1.091 29 F CB -2.127 36.819 39.000 -0.090 0.000 1.177 29 F HN 0.326 nan 8.300 nan 0.000 0.542 30 K N -0.693 119.772 120.400 0.108 0.000 2.148 30 K HA -0.095 4.225 4.320 -0.000 0.000 0.204 30 K C 1.919 178.556 176.600 0.062 0.000 1.050 30 K CA 1.461 57.797 56.287 0.082 0.000 0.942 30 K CB -0.244 32.299 32.500 0.072 0.000 0.724 30 K HN 0.308 nan 8.250 nan 0.000 0.446 31 S N 0.769 116.491 115.700 0.037 0.000 2.442 31 S HA -0.092 4.378 4.470 -0.000 0.000 0.236 31 S C 1.875 176.519 174.600 0.074 0.000 1.007 31 S CA 1.387 59.617 58.200 0.050 0.000 0.965 31 S CB -0.053 63.163 63.200 0.025 0.000 0.773 31 S HN 0.322 nan 8.310 nan 0.000 0.504 32 V N -1.982 117.956 119.914 0.040 0.000 3.578 32 V HA 0.586 4.706 4.120 -0.000 0.000 0.290 32 V C 0.890 177.026 176.094 0.071 0.000 1.376 32 V CA 0.042 62.367 62.300 0.042 0.000 1.083 32 V CB -1.080 30.667 31.823 -0.127 0.000 0.911 32 V HN 0.430 nan 8.190 nan 0.000 0.433 36 P HA 0.087 nan 4.420 nan 0.000 0.266 36 P C -0.768 176.045 177.300 -0.811 0.000 1.195 36 P CA 0.015 62.386 63.100 -1.215 0.000 0.768 36 P CB 0.624 31.789 31.700 -0.892 0.000 0.838 37 L N 3.231 123.863 121.223 -0.985 0.000 2.290 37 L HA 0.333 4.672 4.340 -0.000 0.000 0.284 37 L C 0.500 177.285 176.870 -0.142 0.000 1.078 37 L CA -0.431 54.179 54.840 -0.384 0.000 0.815 37 L CB -0.051 41.739 42.059 -0.449 0.000 1.162 37 L HN 0.271 nan 8.230 nan 0.000 0.435 41 R N -0.692 119.850 120.500 0.070 0.000 2.728 41 R HA 0.793 5.133 4.340 -0.000 0.000 0.274 41 R C -0.540 175.780 176.300 0.033 0.000 1.030 41 R CA -0.903 55.223 56.100 0.042 0.000 0.876 41 R CB 1.176 31.485 30.300 0.015 0.000 1.259 41 R HN 0.162 nan 8.270 nan 0.000 0.468 42 G N 0.317 109.077 108.800 -0.067 0.000 2.690 42 G HA2 0.605 4.565 3.960 -0.000 0.000 0.291 42 G HA3 0.605 4.565 3.960 -0.000 0.000 0.291 42 G C -1.806 173.137 174.900 0.071 0.000 1.403 42 G CA -0.799 44.166 45.100 -0.225 0.000 0.864 42 G HN 0.482 nan 8.290 nan 0.000 0.480 43 K N 0.027 120.530 120.400 0.172 0.000 2.619 43 K HA 0.587 4.907 4.320 -0.000 0.000 0.251 43 K C 0.593 177.294 176.600 0.168 0.000 0.987 43 K CA 0.887 57.285 56.287 0.185 0.000 0.844 43 K CB 1.069 33.652 32.500 0.139 0.000 1.237 43 K HN 1.948 nan 8.250 nan 0.000 0.447 44 G N 2.287 111.182 108.800 0.158 0.000 2.561 44 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.289 44 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.289 44 G C 0.611 175.539 174.900 0.046 0.000 1.169 44 G CA 0.655 45.801 45.100 0.078 0.000 0.980 44 G HN 1.202 nan 8.290 nan 0.000 0.550 45 S N 0.690 116.325 115.700 -0.109 0.000 2.593 45 S HA 0.341 4.811 4.470 -0.000 0.000 0.217 45 S C 0.633 175.128 174.600 -0.175 0.000 0.966 45 S CA 1.074 59.074 58.200 -0.333 0.000 0.914 45 S CB 0.236 62.962 63.200 -0.789 0.000 0.776 45 S HN 0.606 nan 8.310 nan 0.000 0.523 46 K N 1.496 121.870 120.400 -0.044 0.000 2.159 46 K HA 0.625 4.945 4.320 -0.000 0.000 0.266 46 K C -1.011 175.474 176.600 -0.191 0.000 0.975 46 K CA -0.607 55.598 56.287 -0.136 0.000 0.865 46 K CB 1.961 34.371 32.500 -0.150 0.000 1.087 46 K HN 0.095 nan 8.250 nan 0.000 0.446 47 V N 3.693 123.408 119.914 -0.332 0.000 2.823 47 V HA 0.532 4.652 4.120 -0.000 0.000 0.312 47 V C -1.771 174.055 176.094 -0.446 0.000 1.072 47 V CA -0.788 61.319 62.300 -0.323 0.000 0.937 47 V CB 1.455 33.210 31.823 -0.115 0.000 1.013 47 V HN 0.650 nan 8.190 nan 0.000 0.430 48 Y N 3.835 124.125 120.300 -0.017 0.000 2.376 48 Y HA 0.533 5.083 4.550 -0.001 0.000 0.340 48 Y C 0.122 176.056 175.900 0.058 0.000 0.965 48 Y CA -1.076 57.045 58.100 0.034 0.000 1.078 48 Y CB 1.450 39.897 38.460 -0.022 0.000 1.193 48 Y HN 0.850 nan 8.280 nan 0.000 0.452 49 D N 1.782 122.332 120.400 0.250 0.000 2.411 49 D HA 0.073 4.713 4.640 -0.000 0.000 0.251 49 D C 1.078 177.475 176.300 0.161 0.000 1.201 49 D CA -0.547 53.571 54.000 0.196 0.000 0.996 49 D CB 0.758 41.716 40.800 0.264 0.000 1.101 49 D HN 0.631 nan 8.370 nan 0.000 0.504 50 I N -3.550 117.107 120.570 0.146 0.000 3.001 50 I HA -0.007 4.163 4.170 -0.000 0.000 0.268 50 I C 0.361 176.512 176.117 0.057 0.000 1.267 50 I CA 0.735 62.095 61.300 0.099 0.000 1.472 50 I CB -0.247 37.811 38.000 0.096 0.000 1.089 50 I HN 0.118 nan 8.210 nan 0.000 0.468 51 D N 1.724 122.161 120.400 0.061 0.000 2.340 51 D HA 0.114 4.754 4.640 -0.000 0.000 0.220 51 D C 1.684 177.976 176.300 -0.013 0.000 1.039 51 D CA 0.994 54.996 54.000 0.004 0.000 0.866 51 D CB 0.685 41.465 40.800 -0.032 0.000 0.913 51 D HN 0.656 nan 8.370 nan 0.000 0.523 52 G N 1.497 110.314 108.800 0.029 0.000 2.176 52 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.253 52 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.253 52 G C 0.237 175.156 174.900 0.031 0.000 0.979 52 G CA -0.433 44.687 45.100 0.033 0.000 0.641 52 G HN 0.191 nan 8.290 nan 0.000 0.530 53 N N 1.139 119.822 118.700 -0.028 0.000 2.497 53 N HA 0.319 5.059 4.740 -0.000 0.000 0.268 53 N C 0.086 175.397 175.510 -0.331 0.000 1.171 53 N CA 0.237 53.157 53.050 -0.218 0.000 0.948 53 N CB 1.236 39.547 38.487 -0.293 0.000 1.069 53 N HN 0.686 nan 8.380 nan 0.000 0.460 54 E N 2.090 122.018 120.200 -0.454 0.000 2.216 54 E HA 0.258 4.608 4.350 -0.000 0.000 0.279 54 E C -1.215 174.942 176.600 -0.739 0.000 0.997 54 E CA -0.433 55.623 56.400 -0.573 0.000 0.817 54 E CB 0.591 30.113 29.700 -0.298 0.000 1.096 54 E HN 0.389 nan 8.360 nan 0.000 0.393 55 Y N 2.439 122.547 120.300 -0.321 0.000 2.512 55 Y HA 0.390 4.940 4.550 -0.001 0.000 0.348 55 Y C -0.073 175.742 175.900 -0.141 0.000 0.990 55 Y CA -0.995 57.016 58.100 -0.148 0.000 1.033 55 Y CB 1.358 39.786 38.460 -0.053 0.000 1.259 55 Y HN 0.404 nan 8.280 nan 0.000 0.461 56 I N 2.815 123.445 120.570 0.101 0.000 2.396 56 I HA 0.071 4.241 4.170 -0.000 0.000 0.289 56 I C -0.313 175.840 176.117 0.060 0.000 1.056 56 I CA 0.082 61.392 61.300 0.017 0.000 1.365 56 I CB 0.357 38.394 38.000 0.060 0.000 1.407 56 I HN 0.540 nan 8.210 nan 0.000 0.509 57 D N 6.292 126.669 120.400 -0.039 0.000 2.313 57 D HA 0.139 4.779 4.640 -0.000 0.000 0.239 57 D C -0.266 175.960 176.300 -0.124 0.000 1.142 57 D CA -0.024 54.016 54.000 0.066 0.000 0.847 57 D CB 0.674 41.606 40.800 0.220 0.000 1.082 57 D HN 0.326 nan 8.370 nan 0.000 0.480 58 Y N 2.231 122.574 120.300 0.071 0.000 2.584 58 Y HA 0.135 4.685 4.550 -0.000 0.000 0.254 58 Y C 1.643 177.478 175.900 -0.108 0.000 1.177 58 Y CA -0.206 57.887 58.100 -0.011 0.000 1.216 58 Y CB 0.732 39.148 38.460 -0.073 0.000 1.172 58 Y HN 0.268 nan 8.280 nan 0.000 0.529 59 V N -0.809 118.984 119.914 -0.202 0.000 2.436 59 V HA -0.082 4.038 4.120 -0.000 0.000 0.240 59 V C 1.288 177.169 176.094 -0.354 0.000 1.040 59 V CA 0.548 62.557 62.300 -0.485 0.000 1.052 59 V CB -0.317 30.911 31.823 -0.992 0.000 0.707 59 V HN 0.361 nan 8.190 nan 0.000 0.469 60 L N 1.433 122.543 121.223 -0.187 0.000 3.660 60 L HA -0.258 4.082 4.340 -0.000 0.000 0.440 60 L C 0.895 177.621 176.870 -0.239 0.000 1.262 60 L CA 0.384 55.103 54.840 -0.202 0.000 0.837 60 L CB -2.098 39.850 42.059 -0.186 0.000 1.689 60 L HN 0.532 nan 8.230 nan 0.000 0.890 61 S N -1.105 114.516 115.700 -0.131 0.000 3.561 61 S HA -0.224 4.246 4.470 -0.000 0.000 0.318 61 S C 0.403 175.043 174.600 0.067 0.000 1.181 61 S CA 1.565 59.778 58.200 0.022 0.000 0.916 61 S CB -1.081 62.151 63.200 0.054 0.000 0.966 61 S HN 0.760 nan 8.310 nan 0.000 0.550 62 W N -2.717 118.394 121.300 -0.316 0.000 3.653 62 W HA -0.101 4.558 4.660 -0.001 0.000 0.339 62 W C 1.254 177.222 176.519 -0.920 0.000 1.296 62 W CA 0.748 57.800 57.345 -0.489 0.000 0.693 62 W CB -1.861 27.489 29.460 -0.183 0.000 2.388 62 W HN 1.426 nan 8.180 nan 0.000 1.300 63 G N -4.068 104.067 108.800 -1.110 0.000 2.612 63 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.200 63 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.200 63 G C -0.561 174.121 174.900 -0.363 0.000 1.053 63 G CA 0.005 44.536 45.100 -0.948 0.000 0.707 63 G HN 0.171 nan 8.290 nan 0.000 0.497 64 P HA 0.071 nan 4.420 nan 0.000 0.216 64 P C 1.149 178.378 177.300 -0.118 0.000 1.150 64 P CA 0.760 63.800 63.100 -0.100 0.000 0.843 64 P CB -0.105 31.568 31.700 -0.045 0.000 0.787 65 L N -0.386 120.736 121.223 -0.167 0.000 2.533 65 L HA 0.142 4.482 4.340 -0.000 0.000 0.239 65 L C 1.638 178.409 176.870 -0.164 0.000 1.376 65 L CA -0.180 54.557 54.840 -0.172 0.000 1.240 65 L CB -0.701 41.197 42.059 -0.268 0.000 1.487 65 L HN -0.064 nan 8.230 nan 0.000 0.419 66 I N 0.120 120.574 120.570 -0.193 0.000 2.567 66 I HA -0.244 3.926 4.170 -0.000 0.000 0.257 66 I C 1.643 177.598 176.117 -0.270 0.000 1.184 66 I CA 1.310 62.464 61.300 -0.244 0.000 1.451 66 I CB -0.007 37.829 38.000 -0.273 0.000 1.089 66 I HN 0.539 nan 8.210 nan 0.000 0.441 67 H N 0.204 119.297 119.070 0.038 0.000 2.528 67 H HA 0.419 4.975 4.556 -0.000 0.000 0.282 67 H C 1.051 176.383 175.328 0.007 0.000 1.097 67 H CA 0.483 56.557 56.048 0.043 0.000 1.121 67 H CB -0.357 29.421 29.762 0.026 0.000 1.590 67 H HN 0.359 nan 8.280 nan 0.000 0.553 68 G N 0.892 109.700 108.800 0.013 0.000 2.698 68 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.233 68 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.233 68 G C -0.523 174.296 174.900 -0.136 0.000 1.352 68 G CA -0.660 44.387 45.100 -0.087 0.000 0.879 68 G HN 0.510 nan 8.290 nan 0.000 0.567 69 H N 0.370 119.469 119.070 0.050 0.000 2.610 69 H HA 0.480 5.036 4.556 -0.000 0.000 0.336 69 H C 1.238 176.604 175.328 0.063 0.000 1.087 69 H CA 0.836 56.920 56.048 0.061 0.000 1.405 69 H CB 1.004 30.808 29.762 0.069 0.000 1.460 69 H HN 2.041 nan 8.280 nan 0.000 0.538 70 A N 3.357 126.282 122.820 0.176 0.000 2.687 70 A HA -0.252 4.067 4.320 -0.000 0.000 0.299 70 A C 0.783 178.421 177.584 0.090 0.000 1.497 70 A CA 0.755 52.864 52.037 0.120 0.000 0.751 70 A CB -2.097 16.972 19.000 0.115 0.000 1.048 70 A HN 0.840 nan 8.150 nan 0.000 0.464 71 N N 0.207 118.958 118.700 0.085 0.000 2.411 71 N HA -0.030 4.710 4.740 -0.000 0.000 0.265 71 N C 0.676 176.208 175.510 0.037 0.000 1.266 71 N CA 0.549 53.635 53.050 0.061 0.000 0.889 71 N CB 0.338 38.870 38.487 0.075 0.000 1.069 71 N HN 0.421 nan 8.380 nan 0.000 0.476 72 D N 4.224 124.637 120.400 0.022 0.000 2.133 72 D HA -0.194 4.446 4.640 -0.000 0.000 0.192 72 D C 1.625 177.933 176.300 0.013 0.000 1.001 72 D CA 1.546 55.556 54.000 0.017 0.000 0.844 72 D CB 0.080 40.885 40.800 0.009 0.000 0.944 72 D HN 0.636 nan 8.370 nan 0.000 0.447 73 R N 0.177 120.676 120.500 -0.002 0.000 2.081 73 R HA -0.075 4.264 4.340 -0.000 0.000 0.235 73 R C 2.463 178.777 176.300 0.023 0.000 1.131 73 R CA 0.671 56.772 56.100 0.002 0.000 0.960 73 R CB -0.300 29.986 30.300 -0.023 0.000 0.856 73 R HN 0.087 nan 8.270 nan 0.000 0.436 74 V N 0.300 120.230 119.914 0.027 0.000 2.295 74 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 74 V C 2.311 178.435 176.094 0.049 0.000 1.049 74 V CA 1.587 63.916 62.300 0.049 0.000 1.024 74 V CB -0.331 31.532 31.823 0.065 0.000 0.648 74 V HN 0.129 nan 8.190 nan 0.000 0.447 75 V N -0.282 119.659 119.914 0.045 0.000 2.295 75 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 75 V C 2.637 178.753 176.094 0.037 0.000 1.049 75 V CA 1.858 64.184 62.300 0.043 0.000 1.024 75 V CB -0.630 31.219 31.823 0.043 0.000 0.648 75 V HN 0.519 nan 8.190 nan 0.000 0.447 76 E N 0.275 120.495 120.200 0.033 0.000 2.110 76 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 76 E C 2.340 178.961 176.600 0.035 0.000 0.988 76 E CA 1.500 57.918 56.400 0.030 0.000 0.804 76 E CB -0.567 29.148 29.700 0.025 0.000 0.745 76 E HN 0.576 nan 8.360 nan 0.000 0.458 77 A N 0.959 123.805 122.820 0.043 0.000 1.898 77 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 77 A C 2.395 180.007 177.584 0.047 0.000 1.181 77 A CA 0.955 53.023 52.037 0.050 0.000 0.620 77 A CB -0.643 18.399 19.000 0.069 0.000 0.819 77 A HN 0.183 nan 8.150 nan 0.000 0.442 78 L N -0.683 120.568 121.223 0.046 0.000 2.017 78 L HA -0.215 4.124 4.340 -0.000 0.000 0.208 78 L C 2.623 179.513 176.870 0.034 0.000 1.073 78 L CA 1.777 56.641 54.840 0.041 0.000 0.745 78 L CB -0.462 41.622 42.059 0.042 0.000 0.894 78 L HN 0.357 nan 8.230 nan 0.000 0.432 79 K N -0.011 120.408 120.400 0.033 0.000 2.032 79 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 79 K C 2.221 178.837 176.600 0.028 0.000 1.048 79 K CA 1.488 57.791 56.287 0.028 0.000 0.927 79 K CB -0.291 32.225 32.500 0.026 0.000 0.712 79 K HN 0.294 nan 8.250 nan 0.000 0.441 80 A N 0.919 123.757 122.820 0.031 0.000 1.898 80 A HA -0.109 4.210 4.320 -0.000 0.000 0.216 80 A C 2.365 179.972 177.584 0.039 0.000 1.181 80 A CA 1.341 53.397 52.037 0.032 0.000 0.620 80 A CB -0.545 18.473 19.000 0.031 0.000 0.819 80 A HN 0.073 nan 8.150 nan 0.000 0.442 81 V N -0.180 119.759 119.914 0.042 0.000 2.307 81 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 81 V C 3.072 179.189 176.094 0.040 0.000 1.045 81 V CA 1.770 64.100 62.300 0.051 0.000 1.024 81 V CB -1.264 30.590 31.823 0.051 0.000 0.651 81 V HN 0.605 nan 8.190 nan 0.000 0.449 82 A N -0.287 122.548 122.820 0.024 0.000 1.917 82 A HA -0.310 4.010 4.320 -0.000 0.000 0.219 82 A C 2.142 179.734 177.584 0.014 0.000 1.182 82 A CA 2.212 54.254 52.037 0.009 0.000 0.633 82 A CB -0.574 18.432 19.000 0.011 0.000 0.819 82 A HN 0.645 nan 8.150 nan 0.000 0.448 83 E N -0.985 119.230 120.200 0.026 0.000 2.204 83 E HA -0.152 4.197 4.350 -0.000 0.000 0.195 83 E C 1.972 178.598 176.600 0.045 0.000 0.990 83 E CA 0.959 57.377 56.400 0.029 0.000 0.821 83 E CB -0.084 29.633 29.700 0.029 0.000 0.750 83 E HN 0.582 nan 8.360 nan 0.000 0.477 84 R N -0.499 120.040 120.500 0.065 0.000 2.334 84 R HA 0.175 4.515 4.340 -0.000 0.000 0.212 84 R C 0.119 176.526 176.300 0.178 0.000 0.897 84 R CA 0.389 56.559 56.100 0.117 0.000 1.056 84 R CB 1.303 31.679 30.300 0.127 0.000 1.046 84 R HN 0.068 nan 8.270 nan 0.000 0.513 85 G N 0.366 109.198 108.800 0.053 0.000 3.187 85 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.682 85 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.682 85 G C 0.365 175.094 174.900 -0.285 0.000 1.266 85 G CA -0.241 44.774 45.100 -0.142 0.000 0.902 85 G HN 0.096 nan 8.290 nan 0.000 0.589 86 T N -1.911 112.467 114.554 -0.293 0.000 3.054 86 T HA 0.557 4.907 4.350 -0.000 0.000 0.259 86 T C 1.084 175.612 174.700 -0.286 0.000 1.092 86 T CA 1.329 63.304 62.100 -0.208 0.000 1.121 86 T CB 0.390 69.188 68.868 -0.116 0.000 0.912 86 T HN 1.827 nan 8.240 nan 0.000 0.489 87 S N -1.088 114.292 115.700 -0.533 0.000 2.543 87 S HA 0.609 5.079 4.470 -0.000 0.000 0.273 87 S C -1.189 173.041 174.600 -0.617 0.000 1.152 87 S CA -0.803 57.158 58.200 -0.397 0.000 0.910 87 S CB 0.869 63.961 63.200 -0.179 0.000 1.105 87 S HN 0.162 nan 8.310 nan 0.000 0.465 88 F N 2.004 121.960 119.950 0.011 0.000 2.778 88 F HA 0.396 4.924 4.527 0.001 0.000 0.314 88 F C 1.971 177.778 175.800 0.011 0.000 1.073 88 F CA 0.272 58.278 58.000 0.010 0.000 1.218 88 F CB 0.317 39.321 39.000 0.006 0.000 1.037 88 F HN 0.900 nan 8.300 nan 0.000 0.594 89 G N 1.172 110.068 108.800 0.159 0.000 2.153 89 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.252 89 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.252 89 G C 0.069 175.030 174.900 0.102 0.000 0.994 89 G CA 0.239 45.401 45.100 0.104 0.000 0.698 89 G HN 0.780 nan 8.290 nan 0.000 0.521 90 A N -0.777 122.120 122.820 0.128 0.000 2.515 90 A HA 0.912 5.232 4.320 -0.000 0.000 0.296 90 A C -2.498 175.123 177.584 0.061 0.000 1.094 90 A CA -1.182 50.900 52.037 0.074 0.000 0.718 90 A CB 1.207 20.238 19.000 0.052 0.000 1.307 90 A HN 0.139 nan 8.150 nan 0.000 0.408 91 P HA 0.357 nan 4.420 nan 0.000 0.268 91 P C -0.131 177.164 177.300 -0.010 0.000 1.208 91 P CA 0.274 63.381 63.100 0.011 0.000 0.777 91 P CB 0.602 32.299 31.700 -0.005 0.000 0.875 92 T N -2.791 111.764 114.554 0.001 0.000 2.906 92 T HA 0.330 4.680 4.350 -0.000 0.000 0.295 92 T C 0.766 175.450 174.700 -0.026 0.000 1.075 92 T CA -0.774 61.313 62.100 -0.021 0.000 1.005 92 T CB 1.700 70.591 68.868 0.038 0.000 1.136 92 T HN 0.297 nan 8.240 nan 0.000 0.498 93 E N 0.286 120.459 120.200 -0.046 0.000 2.150 93 E HA -0.032 4.318 4.350 -0.000 0.000 0.193 93 E C 1.727 178.294 176.600 -0.055 0.000 0.985 93 E CA 0.645 57.015 56.400 -0.050 0.000 0.814 93 E CB -0.087 29.577 29.700 -0.060 0.000 0.752 93 E HN 0.660 nan 8.360 nan 0.000 0.466 94 I N 1.403 121.945 120.570 -0.047 0.000 2.361 94 I HA -0.267 3.902 4.170 -0.000 0.000 0.251 94 I C 1.882 177.977 176.117 -0.037 0.000 1.133 94 I CA 1.289 62.551 61.300 -0.063 0.000 1.413 94 I CB 0.112 38.091 38.000 -0.035 0.000 1.073 94 I HN 0.074 nan 8.210 nan 0.000 0.424 95 E N 0.403 120.598 120.200 -0.008 0.000 2.110 95 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 95 E C 1.771 178.367 176.600 -0.007 0.000 0.988 95 E CA 1.175 57.577 56.400 0.003 0.000 0.804 95 E CB -0.056 29.649 29.700 0.009 0.000 0.745 95 E HN 0.521 nan 8.360 nan 0.000 0.458 96 N N 0.884 119.572 118.700 -0.020 0.000 2.142 96 N HA -0.158 4.582 4.740 -0.000 0.000 0.186 96 N C 1.561 177.060 175.510 -0.019 0.000 1.023 96 N CA 0.941 53.979 53.050 -0.020 0.000 0.852 96 N CB -0.175 38.296 38.487 -0.027 0.000 0.998 96 N HN 0.082 nan 8.380 nan 0.000 0.424 97 K N 0.346 120.715 120.400 -0.053 0.000 2.026 97 K HA -0.105 4.215 4.320 -0.000 0.000 0.208 97 K C 1.900 178.520 176.600 0.033 0.000 1.048 97 K CA 0.927 57.162 56.287 -0.087 0.000 0.929 97 K CB -0.205 32.124 32.500 -0.284 0.000 0.713 97 K HN 0.015 nan 8.250 nan 0.000 0.439 98 L N 0.863 122.122 121.223 0.060 0.000 2.027 98 L HA -0.027 4.313 4.340 -0.000 0.000 0.206 98 L C 2.197 179.118 176.870 0.085 0.000 1.074 98 L CA 2.014 56.942 54.840 0.146 0.000 0.745 98 L CB -0.798 41.329 42.059 0.113 0.000 0.898 98 L HN 0.235 nan 8.230 nan 0.000 0.433 99 A N -0.546 122.300 122.820 0.043 0.000 1.917 99 A HA -0.314 4.006 4.320 -0.000 0.000 0.219 99 A C 2.460 180.067 177.584 0.037 0.000 1.182 99 A CA 2.211 54.264 52.037 0.027 0.000 0.633 99 A CB -0.678 18.324 19.000 0.003 0.000 0.819 99 A HN 0.498 nan 8.150 nan 0.000 0.448 100 K N -0.649 119.777 120.400 0.043 0.000 2.032 100 K HA -0.111 4.209 4.320 -0.000 0.000 0.209 100 K C 2.006 178.647 176.600 0.068 0.000 1.048 100 K CA 1.547 57.863 56.287 0.049 0.000 0.927 100 K CB -0.310 32.219 32.500 0.048 0.000 0.712 100 K HN 0.509 nan 8.250 nan 0.000 0.441 101 L N 0.538 121.821 121.223 0.099 0.000 2.017 101 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 101 L C 2.018 178.919 176.870 0.052 0.000 1.073 101 L CA 1.162 56.053 54.840 0.084 0.000 0.745 101 L CB -0.153 41.967 42.059 0.101 0.000 0.894 101 L HN 0.021 nan 8.230 nan 0.000 0.432 102 V N 0.365 120.315 119.914 0.060 0.000 2.343 102 V HA -0.328 3.792 4.120 -0.000 0.000 0.247 102 V C 2.410 178.563 176.094 0.097 0.000 1.051 102 V CA 2.179 64.544 62.300 0.108 0.000 1.036 102 V CB -0.440 31.453 31.823 0.116 0.000 0.654 102 V HN 0.410 nan 8.190 nan 0.000 0.451 103 I N -0.094 120.510 120.570 0.058 0.000 2.208 103 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 103 I C 2.625 178.765 176.117 0.039 0.000 1.097 103 I CA 1.978 63.300 61.300 0.037 0.000 1.363 103 I CB -0.287 37.726 38.000 0.022 0.000 1.051 103 I HN 0.426 nan 8.210 nan 0.000 0.413 104 E N 0.716 120.943 120.200 0.046 0.000 2.072 104 E HA -0.262 4.088 4.350 -0.000 0.000 0.191 104 E C 2.281 178.904 176.600 0.038 0.000 0.985 104 E CA 0.973 57.401 56.400 0.046 0.000 0.801 104 E CB 0.119 29.853 29.700 0.056 0.000 0.750 104 E HN 0.157 nan 8.360 nan 0.000 0.452 105 R N 0.097 120.618 120.500 0.034 0.000 2.090 105 R HA 0.025 4.365 4.340 -0.000 0.000 0.228 105 R C 0.099 176.401 176.300 0.002 0.000 1.110 105 R CA 0.655 56.749 56.100 -0.010 0.000 0.973 105 R CB 0.207 30.546 30.300 0.065 0.000 0.869 105 R HN -0.041 nan 8.270 nan 0.000 0.440 106 V N 2.392 122.331 119.914 0.041 0.000 2.318 106 V HA 0.243 4.363 4.120 -0.000 0.000 0.271 106 V C -1.784 174.309 176.094 -0.003 0.000 1.030 106 V CA -1.645 60.654 62.300 -0.002 0.000 0.844 106 V CB 1.440 33.264 31.823 0.001 0.000 1.015 106 V HN 0.129 nan 8.190 nan 0.000 0.460 107 P HA -0.232 nan 4.420 nan 0.000 0.216 107 P C 1.928 179.213 177.300 -0.026 0.000 1.167 107 P CA 2.185 65.279 63.100 -0.009 0.000 0.914 107 P CB 0.107 31.804 31.700 -0.006 0.000 0.793 108 S N -1.295 114.376 115.700 -0.048 0.000 2.447 108 S HA -0.065 4.404 4.470 -0.000 0.000 0.233 108 S C 0.983 175.552 174.600 -0.051 0.000 1.006 108 S CA 0.496 58.654 58.200 -0.070 0.000 0.957 108 S CB -1.263 61.867 63.200 -0.116 0.000 0.773 108 S HN 0.044 nan 8.310 nan 0.000 0.507 109 I N 2.255 122.807 120.570 -0.030 0.000 2.363 109 I HA 0.181 4.351 4.170 -0.000 0.000 0.292 109 I C 1.046 177.152 176.117 -0.019 0.000 1.075 109 I CA -0.016 61.271 61.300 -0.022 0.000 1.333 109 I CB 0.798 38.797 38.000 -0.001 0.000 1.415 109 I HN 0.302 nan 8.210 nan 0.000 0.502 110 E N 5.422 125.604 120.200 -0.030 0.000 2.244 110 E HA 0.240 4.589 4.350 -0.000 0.000 0.196 110 E C 0.014 176.597 176.600 -0.028 0.000 0.939 110 E CA 0.456 56.841 56.400 -0.024 0.000 0.884 110 E CB 0.878 30.561 29.700 -0.029 0.000 0.850 110 E HN 0.390 nan 8.360 nan 0.000 0.481 111 I N 1.424 121.968 120.570 -0.044 0.000 2.545 111 I HA 0.335 4.505 4.170 -0.000 0.000 0.292 111 I C -0.623 175.441 176.117 -0.088 0.000 1.040 111 I CA -0.798 60.467 61.300 -0.058 0.000 1.068 111 I CB 1.990 39.954 38.000 -0.060 0.000 1.251 111 I HN -0.168 nan 8.210 nan 0.000 0.424 112 V N 6.576 126.430 119.914 -0.101 0.000 3.001 112 V HA 0.772 4.891 4.120 -0.000 0.000 0.314 112 V C -0.655 175.307 176.094 -0.220 0.000 1.099 112 V CA -0.422 61.790 62.300 -0.147 0.000 0.989 112 V CB 2.890 34.672 31.823 -0.068 0.000 1.040 112 V HN 0.926 nan 8.190 nan 0.000 0.434 116 N N 0.732 119.470 118.700 0.064 0.000 2.205 116 N HA 0.518 5.258 4.740 -0.000 0.000 0.201 116 N C 0.002 175.548 175.510 0.060 0.000 1.128 116 N CA 0.625 53.710 53.050 0.057 0.000 0.867 116 N CB 0.681 39.198 38.487 0.050 0.000 0.996 116 N HN 1.127 nan 8.380 nan 0.000 0.503 117 S N -2.921 112.816 115.700 0.062 0.000 2.615 117 S HA 0.449 4.919 4.470 -0.000 0.000 0.268 117 S C 0.787 175.420 174.600 0.054 0.000 1.146 117 S CA -0.587 57.649 58.200 0.060 0.000 0.818 117 S CB 0.765 63.999 63.200 0.057 0.000 1.111 117 S HN -0.023 nan 8.310 nan 0.000 0.465 118 G N 0.716 109.549 108.800 0.055 0.000 2.408 118 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.217 118 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.217 118 G C 1.070 175.961 174.900 -0.016 0.000 1.150 118 G CA 1.488 46.613 45.100 0.042 0.000 0.776 118 G HN 0.795 nan 8.290 nan 0.000 0.542 119 T N 0.860 115.385 114.554 -0.048 0.000 2.720 119 T HA -0.089 4.260 4.350 -0.000 0.000 0.268 119 T C 2.180 176.793 174.700 -0.146 0.000 1.037 119 T CA 1.527 63.534 62.100 -0.155 0.000 1.144 119 T CB -0.166 68.542 68.868 -0.267 0.000 0.864 119 T HN 0.451 nan 8.240 nan 0.000 0.444 120 E N 0.760 120.911 120.200 -0.081 0.000 2.106 120 E HA -0.047 4.303 4.350 -0.000 0.000 0.192 120 E C 2.559 179.117 176.600 -0.071 0.000 0.984 120 E CA 0.890 57.252 56.400 -0.063 0.000 0.806 120 E CB -0.180 29.520 29.700 0.001 0.000 0.750 120 E HN 0.475 nan 8.360 nan 0.000 0.458 121 A N 1.512 124.324 122.820 -0.014 0.000 1.877 121 A HA -0.115 4.204 4.320 -0.000 0.000 0.216 121 A C 1.898 179.411 177.584 -0.118 0.000 1.186 121 A CA 1.585 53.633 52.037 0.018 0.000 0.620 121 A CB -0.981 18.086 19.000 0.111 0.000 0.822 121 A HN 0.397 nan 8.150 nan 0.000 0.443 125 A N 1.977 124.471 122.820 -0.543 0.000 1.933 125 A HA 0.077 4.397 4.320 -0.000 0.000 0.218 125 A C 1.888 179.374 177.584 -0.164 0.000 1.175 125 A CA 1.424 53.290 52.037 -0.285 0.000 0.628 125 A CB -0.829 18.083 19.000 -0.148 0.000 0.814 125 A HN 0.453 nan 8.150 nan 0.000 0.444 126 L N -1.291 119.836 121.223 -0.160 0.000 2.056 126 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 126 L C 2.820 179.639 176.870 -0.084 0.000 1.078 126 L CA 1.738 56.512 54.840 -0.109 0.000 0.749 126 L CB -0.533 41.459 42.059 -0.110 0.000 0.901 126 L HN 0.478 nan 8.230 nan 0.000 0.433 127 R N 0.318 120.756 120.500 -0.104 0.000 2.081 127 R HA -0.207 4.132 4.340 -0.000 0.000 0.235 127 R C 2.340 178.622 176.300 -0.030 0.000 1.131 127 R CA 1.378 57.440 56.100 -0.063 0.000 0.960 127 R CB -0.212 30.047 30.300 -0.068 0.000 0.856 127 R HN 0.176 nan 8.270 nan 0.000 0.436 128 L N 0.799 121.993 121.223 -0.049 0.000 2.017 128 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 128 L C 2.258 179.160 176.870 0.053 0.000 1.073 128 L CA 2.173 57.022 54.840 0.014 0.000 0.745 128 L CB -0.861 41.206 42.059 0.012 0.000 0.894 128 L HN 0.243 nan 8.230 nan 0.000 0.432 129 A N -0.427 122.404 122.820 0.018 0.000 1.902 129 A HA -0.225 4.094 4.320 -0.000 0.000 0.217 129 A C 2.426 180.059 177.584 0.081 0.000 1.181 129 A CA 1.836 53.906 52.037 0.054 0.000 0.623 129 A CB -0.535 18.475 19.000 0.016 0.000 0.818 129 A HN 0.507 nan 8.150 nan 0.000 0.443 130 R N -0.969 119.553 120.500 0.036 0.000 2.081 130 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 130 R C 2.414 178.740 176.300 0.043 0.000 1.131 130 R CA 1.189 57.304 56.100 0.026 0.000 0.960 130 R CB -0.621 29.677 30.300 -0.003 0.000 0.856 130 R HN 0.535 nan 8.270 nan 0.000 0.436 131 G N -0.109 108.726 108.800 0.059 0.000 2.404 131 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.215 131 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.215 131 G C 1.238 176.194 174.900 0.092 0.000 1.174 131 G CA 0.490 45.630 45.100 0.066 0.000 0.780 131 G HN 0.317 nan 8.290 nan 0.000 0.537 132 Y N 2.226 122.530 120.300 0.006 0.000 2.181 132 Y HA -0.169 4.381 4.550 -0.001 0.000 0.288 132 Y C 3.145 179.049 175.900 0.007 0.000 1.146 132 Y CA 2.391 60.496 58.100 0.009 0.000 1.164 132 Y CB -0.197 38.270 38.460 0.012 0.000 0.982 132 Y HN 0.294 nan 8.280 nan 0.000 0.515 133 T N -3.869 110.732 114.554 0.078 0.000 3.054 133 T HA 0.224 4.574 4.350 -0.000 0.000 0.259 133 T C 1.647 176.331 174.700 -0.027 0.000 1.092 133 T CA 0.561 62.664 62.100 0.005 0.000 1.121 133 T CB -0.446 68.470 68.868 0.080 0.000 0.912 133 T HN 0.633 nan 8.240 nan 0.000 0.489 134 G N 1.765 110.556 108.800 -0.014 0.000 2.176 134 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.252 134 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.252 134 G C -0.006 174.888 174.900 -0.010 0.000 1.024 134 G CA 0.068 45.157 45.100 -0.018 0.000 0.755 134 G HN 0.726 nan 8.290 nan 0.000 0.507 135 R N -1.400 119.099 120.500 -0.001 0.000 2.832 135 R HA 0.565 4.905 4.340 -0.000 0.000 0.271 135 R C 0.922 177.211 176.300 -0.019 0.000 0.996 135 R CA -0.422 55.673 56.100 -0.008 0.000 0.977 135 R CB 0.864 31.164 30.300 0.001 0.000 1.168 135 R HN 0.177 nan 8.270 nan 0.000 0.482 136 N N 0.074 118.753 118.700 -0.036 0.000 2.432 136 N HA 0.017 4.757 4.740 -0.000 0.000 0.174 136 N C -0.540 174.927 175.510 -0.071 0.000 1.037 136 N CA 0.345 53.365 53.050 -0.049 0.000 0.892 136 N CB 0.466 38.921 38.487 -0.053 0.000 1.049 136 N HN 0.159 nan 8.380 nan 0.000 0.442 137 K N 1.341 121.686 120.400 -0.091 0.000 2.174 137 K HA 0.372 4.692 4.320 -0.000 0.000 0.275 137 K C -0.582 175.946 176.600 -0.120 0.000 1.015 137 K CA -0.492 55.716 56.287 -0.131 0.000 0.933 137 K CB 1.551 33.937 32.500 -0.190 0.000 1.025 137 K HN 0.072 nan 8.250 nan 0.000 0.463 138 I N -0.316 120.176 120.570 -0.129 0.000 2.646 138 I HA 0.510 4.680 4.170 -0.000 0.000 0.299 138 I C -1.203 174.826 176.117 -0.146 0.000 1.036 138 I CA -0.923 60.309 61.300 -0.115 0.000 1.074 138 I CB 1.485 39.427 38.000 -0.097 0.000 1.258 138 I HN 0.515 nan 8.210 nan 0.000 0.430 139 L N 6.197 127.334 121.223 -0.142 0.000 2.333 139 L HA 0.693 5.033 4.340 -0.000 0.000 0.280 139 L C -0.671 176.049 176.870 -0.250 0.000 1.004 139 L CA -0.297 54.424 54.840 -0.198 0.000 0.820 139 L CB 1.011 42.964 42.059 -0.177 0.000 1.247 139 L HN 0.977 nan 8.230 nan 0.000 0.416 140 K N 2.621 122.833 120.400 -0.314 0.000 2.409 140 K HA 0.606 4.926 4.320 -0.000 0.000 0.252 140 K C -1.569 174.747 176.600 -0.473 0.000 1.036 140 K CA -0.843 55.286 56.287 -0.263 0.000 0.871 140 K CB 1.594 34.101 32.500 0.013 0.000 1.374 140 K HN 0.251 nan 8.250 nan 0.000 0.459 141 F N 0.898 120.999 119.950 0.251 0.000 2.458 141 F HA 0.441 4.967 4.527 -0.001 0.000 0.330 141 F C 0.411 176.294 175.800 0.138 0.000 1.082 141 F CA -1.096 57.047 58.000 0.238 0.000 0.995 141 F CB 1.140 40.379 39.000 0.399 0.000 1.170 141 F HN 0.281 nan 8.300 nan 0.000 0.478 142 I N 2.366 123.092 120.570 0.259 0.000 2.683 142 I HA 0.188 4.358 4.170 -0.000 0.000 0.286 142 I C 1.155 177.286 176.117 0.023 0.000 1.175 142 I CA 0.859 62.239 61.300 0.135 0.000 1.429 142 I CB -0.112 37.991 38.000 0.171 0.000 1.371 142 I HN 0.936 nan 8.210 nan 0.000 0.569 143 G N 4.042 112.710 108.800 -0.220 0.000 2.143 143 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.249 143 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.249 143 G C 0.032 174.664 174.900 -0.447 0.000 0.981 143 G CA -0.266 44.398 45.100 -0.727 0.000 0.665 143 G HN 0.626 nan 8.290 nan 0.000 0.528 144 C N -0.126 119.046 119.300 -0.213 0.000 2.355 144 C HA 0.711 5.171 4.460 -0.000 0.000 0.332 144 C C 0.030 174.836 174.990 -0.308 0.000 1.255 144 C CA -1.031 57.848 59.018 -0.232 0.000 1.792 144 C CB 0.689 28.376 27.740 -0.088 0.000 2.300 144 C HN 0.418 nan 8.230 nan 0.000 0.515 145 Y N 2.441 122.446 120.300 -0.492 0.000 2.341 145 Y HA 0.440 4.989 4.550 -0.000 0.000 0.338 145 Y C 0.765 176.380 175.900 -0.476 0.000 0.965 145 Y CA -0.211 57.655 58.100 -0.391 0.000 1.108 145 Y CB 0.535 38.862 38.460 -0.221 0.000 1.180 145 Y HN 0.793 nan 8.280 nan 0.000 0.458 146 H N 4.190 122.893 119.070 -0.611 0.000 2.785 146 H HA 0.414 4.970 4.556 -0.000 0.000 0.268 146 H C 0.698 175.644 175.328 -0.636 0.000 1.153 146 H CA 0.337 56.116 56.048 -0.449 0.000 1.111 146 H CB 0.569 30.202 29.762 -0.216 0.000 1.633 146 H HN 0.925 nan 8.280 nan 0.000 0.576 147 G N 1.380 109.406 108.800 -1.289 0.000 2.525 147 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.685 147 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.685 147 G C 0.175 174.815 174.900 -0.433 0.000 1.290 147 G CA -0.299 44.353 45.100 -0.746 0.000 0.915 147 G HN 0.542 nan 8.290 nan 0.000 0.548 148 H N 0.005 119.015 119.070 -0.101 0.000 2.519 148 H HA 0.383 4.938 4.556 -0.000 0.000 0.289 148 H C 1.133 176.450 175.328 -0.018 0.000 1.040 148 H CA 0.514 56.566 56.048 0.007 0.000 1.165 148 H CB -0.307 29.507 29.762 0.087 0.000 1.462 148 H HN 1.082 nan 8.280 nan 0.000 0.555 149 G N 1.381 110.056 108.800 -0.209 0.000 2.305 149 G HA2 -0.119 3.840 3.960 -0.000 0.000 0.243 149 G HA3 -0.119 3.840 3.960 -0.000 0.000 0.243 149 G C 0.237 175.108 174.900 -0.048 0.000 1.288 149 G CA -0.116 44.903 45.100 -0.135 0.000 0.901 149 G HN 0.218 nan 8.290 nan 0.000 0.516 150 D N 1.853 122.242 120.400 -0.018 0.000 2.157 150 D HA -0.167 4.472 4.640 -0.000 0.000 0.191 150 D C 2.671 178.961 176.300 -0.016 0.000 1.004 150 D CA 1.878 55.877 54.000 -0.001 0.000 0.854 150 D CB -0.084 40.715 40.800 -0.002 0.000 0.936 150 D HN 0.376 nan 8.370 nan 0.000 0.446 151 S N -0.306 115.372 115.700 -0.035 0.000 2.419 151 S HA -0.078 4.392 4.470 -0.000 0.000 0.235 151 S C 1.941 176.520 174.600 -0.035 0.000 1.019 151 S CA 0.558 58.731 58.200 -0.044 0.000 0.982 151 S CB -0.052 63.112 63.200 -0.061 0.000 0.789 151 S HN 0.275 nan 8.310 nan 0.000 0.490 152 L N 0.434 121.641 121.223 -0.027 0.000 2.567 152 L HA 0.264 4.603 4.340 -0.000 0.000 0.225 152 L C 0.725 177.607 176.870 0.020 0.000 1.119 152 L CA 0.228 55.070 54.840 0.004 0.000 0.871 152 L CB -0.093 41.960 42.059 -0.009 0.000 1.036 152 L HN 0.184 nan 8.230 nan 0.000 0.459 153 L N 1.822 123.057 121.223 0.021 0.000 2.939 153 L HA 0.199 4.539 4.340 -0.000 0.000 0.239 153 L C -0.459 176.427 176.870 0.027 0.000 1.325 153 L CA -0.045 54.823 54.840 0.046 0.000 1.170 153 L CB -0.032 42.063 42.059 0.059 0.000 1.538 153 L HN 0.121 nan 8.230 nan 0.000 0.452 154 I N 0.748 121.328 120.570 0.017 0.000 2.436 154 I HA 0.217 4.387 4.170 -0.000 0.000 0.289 154 I C 0.340 176.462 176.117 0.009 0.000 1.010 154 I CA -0.755 60.548 61.300 0.005 0.000 1.098 154 I CB 1.645 39.638 38.000 -0.012 0.000 1.266 154 I HN 0.175 nan 8.210 nan 0.000 0.434 155 K N 3.269 123.674 120.400 0.008 0.000 3.177 155 K HA -0.219 4.101 4.320 -0.000 0.000 0.266 155 K C 0.874 177.455 176.600 -0.032 0.000 0.937 155 K CA 0.789 57.078 56.287 0.004 0.000 0.702 155 K CB -1.561 30.954 32.500 0.025 0.000 1.365 155 K HN 0.835 nan 8.250 nan 0.000 0.466 156 A N -0.079 122.725 122.820 -0.027 0.000 2.238 156 A HA 0.366 4.686 4.320 -0.000 0.000 0.208 156 A C 1.402 178.901 177.584 -0.142 0.000 1.177 156 A CA 1.410 53.430 52.037 -0.027 0.000 0.804 156 A CB -0.057 19.007 19.000 0.106 0.000 0.823 156 A HN 1.114 nan 8.150 nan 0.000 0.482 157 G N -0.521 108.140 108.800 -0.232 0.000 2.498 157 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.245 157 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.245 157 G C 0.409 175.146 174.900 -0.272 0.000 1.204 157 G CA 0.101 44.927 45.100 -0.456 0.000 0.933 157 G HN 1.320 nan 8.290 nan 0.000 0.574 158 S N 1.436 116.932 115.700 -0.340 0.000 2.589 158 S HA 0.460 4.930 4.470 -0.000 0.000 0.306 158 S C 1.675 176.174 174.600 -0.168 0.000 1.221 158 S CA 1.831 59.902 58.200 -0.216 0.000 1.159 158 S CB -0.671 62.406 63.200 -0.204 0.000 0.990 158 S HN 2.690 nan 8.310 nan 0.000 0.514 159 G N 3.339 112.067 108.800 -0.122 0.000 2.313 159 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.215 159 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.215 159 G C 0.096 174.924 174.900 -0.119 0.000 1.023 159 G CA -0.059 44.961 45.100 -0.133 0.000 0.626 159 G HN 1.000 nan 8.290 nan 0.000 0.503 168 S N 1.997 117.703 115.700 0.010 0.000 2.953 168 S HA 0.053 4.523 4.470 -0.000 0.000 0.348 168 S C -2.033 172.572 174.600 0.008 0.000 1.215 168 S CA -0.294 57.913 58.200 0.011 0.000 1.019 168 S CB 0.024 63.237 63.200 0.022 0.000 0.726 168 S HN 0.120 nan 8.310 nan 0.000 0.503 169 P HA 0.351 nan 4.420 nan 0.000 0.272 169 P C 1.037 178.341 177.300 0.006 0.000 1.254 169 P CA 0.579 63.681 63.100 0.004 0.000 0.795 169 P CB 0.047 31.748 31.700 0.002 0.000 1.022 170 G N -1.773 107.029 108.800 0.005 0.000 2.179 170 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.260 170 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.260 170 G C -0.147 174.758 174.900 0.008 0.000 0.977 170 G CA -0.003 45.101 45.100 0.007 0.000 0.641 170 G HN 0.516 nan 8.290 nan 0.000 0.533 171 V N 2.521 122.438 119.914 0.006 0.000 2.328 171 V HA 0.463 4.583 4.120 -0.000 0.000 0.278 171 V C -1.290 174.801 176.094 -0.005 0.000 1.021 171 V CA -1.447 60.855 62.300 0.002 0.000 0.838 171 V CB 1.314 33.139 31.823 0.004 0.000 0.999 171 V HN 0.191 nan 8.190 nan 0.000 0.447 172 P HA 0.167 nan 4.420 nan 0.000 0.272 172 P C 0.822 178.111 177.300 -0.018 0.000 1.230 172 P CA -0.335 62.758 63.100 -0.011 0.000 0.788 172 P CB 0.968 32.661 31.700 -0.012 0.000 0.949 173 E N 1.147 121.335 120.200 -0.019 0.000 2.160 173 E HA -0.133 4.216 4.350 -0.000 0.000 0.195 173 E C 2.078 178.659 176.600 -0.033 0.000 0.991 173 E CA 2.019 58.403 56.400 -0.026 0.000 0.810 173 E CB -1.087 28.599 29.700 -0.023 0.000 0.742 173 E HN 0.633 nan 8.360 nan 0.000 0.466 174 G N -0.281 108.502 108.800 -0.028 0.000 2.475 174 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.220 174 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.220 174 G C 1.632 176.510 174.900 -0.038 0.000 1.125 174 G CA 1.167 46.248 45.100 -0.031 0.000 0.755 174 G HN 0.277 nan 8.290 nan 0.000 0.565 175 V N 0.987 120.880 119.914 -0.035 0.000 2.374 175 V HA 0.083 4.203 4.120 -0.000 0.000 0.241 175 V C 3.247 179.310 176.094 -0.051 0.000 1.034 175 V CA 1.586 63.862 62.300 -0.040 0.000 1.037 175 V CB -0.737 31.068 31.823 -0.030 0.000 0.682 175 V HN 0.432 nan 8.190 nan 0.000 0.463 176 A N 1.483 124.275 122.820 -0.046 0.000 1.917 176 A HA -0.310 4.010 4.320 -0.000 0.000 0.219 176 A C 2.211 179.748 177.584 -0.078 0.000 1.182 176 A CA 2.535 54.540 52.037 -0.053 0.000 0.633 176 A CB -0.649 18.327 19.000 -0.040 0.000 0.819 176 A HN 0.741 nan 8.150 nan 0.000 0.448 177 K N -0.488 119.863 120.400 -0.082 0.000 2.280 177 K HA -0.115 4.205 4.320 -0.000 0.000 0.202 177 K C 0.861 177.371 176.600 -0.150 0.000 1.047 177 K CA 1.787 58.007 56.287 -0.111 0.000 0.942 177 K CB -0.493 31.953 32.500 -0.091 0.000 0.739 177 K HN 0.588 nan 8.250 nan 0.000 0.457 178 N N 0.155 118.779 118.700 -0.126 0.000 2.270 178 N HA 0.031 4.770 4.740 -0.000 0.000 0.198 178 N C -0.885 174.537 175.510 -0.147 0.000 1.117 178 N CA -0.048 52.918 53.050 -0.140 0.000 0.845 178 N CB 0.862 39.287 38.487 -0.104 0.000 0.980 178 N HN 0.050 nan 8.380 nan 0.000 0.486 179 T N 1.121 115.592 114.554 -0.140 0.000 2.770 179 T HA 0.439 4.789 4.350 -0.000 0.000 0.283 179 T C -0.145 174.461 174.700 -0.157 0.000 0.988 179 T CA -0.391 61.630 62.100 -0.132 0.000 0.957 179 T CB 1.519 70.333 68.868 -0.090 0.000 0.930 179 T HN -0.028 nan 8.240 nan 0.000 0.443 180 I N 3.592 124.056 120.570 -0.178 0.000 2.359 180 I HA 0.459 4.628 4.170 -0.000 0.000 0.294 180 I C 0.620 176.653 176.117 -0.140 0.000 0.987 180 I CA -0.671 60.525 61.300 -0.173 0.000 1.225 180 I CB 1.698 39.577 38.000 -0.201 0.000 1.366 180 I HN 0.625 nan 8.210 nan 0.000 0.466 181 T N 3.838 118.338 114.554 -0.089 0.000 2.861 181 T HA 0.782 5.131 4.350 -0.000 0.000 0.287 181 T C -0.521 174.170 174.700 -0.016 0.000 1.003 181 T CA -0.699 61.358 62.100 -0.073 0.000 0.977 181 T CB 1.727 70.581 68.868 -0.023 0.000 0.996 181 T HN 0.495 nan 8.240 nan 0.000 0.448 182 V N -0.231 119.678 119.914 -0.008 0.000 3.130 182 V HA 0.989 5.109 4.120 -0.000 0.000 0.310 182 V C 0.162 176.423 176.094 0.279 0.000 1.158 182 V CA -1.367 61.010 62.300 0.128 0.000 1.029 182 V CB 1.202 33.124 31.823 0.166 0.000 1.057 182 V HN 1.419 nan 8.190 nan 0.000 0.436 183 A N 1.581 124.561 122.820 0.265 0.000 2.498 183 A HA 0.451 4.771 4.320 -0.000 0.000 0.239 183 A C -0.374 177.421 177.584 0.351 0.000 1.068 183 A CA 0.016 52.213 52.037 0.266 0.000 0.766 183 A CB -0.341 18.740 19.000 0.134 0.000 1.003 183 A HN 1.377 nan 8.150 nan 0.000 0.497 184 Y N 1.949 122.326 120.300 0.128 0.000 2.597 184 Y HA 0.065 4.615 4.550 -0.001 0.000 0.336 184 Y C 1.088 176.645 175.900 -0.572 0.000 1.216 184 Y CA 1.811 59.770 58.100 -0.235 0.000 1.463 184 Y CB 0.022 38.380 38.460 -0.170 0.000 1.303 184 Y HN 1.004 nan 8.280 nan 0.000 0.576 185 N N 1.604 119.146 118.700 -1.930 0.000 2.878 185 N HA -0.257 4.483 4.740 -0.000 0.000 0.247 185 N C -1.376 173.661 175.510 -0.788 0.000 1.021 185 N CA 0.885 52.879 53.050 -1.761 0.000 0.873 185 N CB -0.786 37.201 38.487 -0.833 0.000 1.128 185 N HN 0.560 nan 8.380 nan 0.000 0.571 186 D N 0.835 120.994 120.400 -0.402 0.000 2.505 186 D HA 0.185 4.824 4.640 -0.000 0.000 0.242 186 D C 0.728 177.151 176.300 0.205 0.000 1.136 186 D CA -0.491 53.497 54.000 -0.020 0.000 0.954 186 D CB 0.554 41.389 40.800 0.059 0.000 1.002 186 D HN 0.156 nan 8.370 nan 0.000 0.512 187 L N 2.912 124.275 121.223 0.233 0.000 2.083 187 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 187 L C 1.821 178.811 176.870 0.200 0.000 1.083 187 L CA 1.704 56.711 54.840 0.277 0.000 0.752 187 L CB -0.083 42.102 42.059 0.210 0.000 0.899 187 L HN 0.237 nan 8.230 nan 0.000 0.433 188 E N -0.448 119.838 120.200 0.143 0.000 2.085 188 E HA -0.168 4.181 4.350 -0.000 0.000 0.194 188 E C 2.265 178.974 176.600 0.180 0.000 0.994 188 E CA 1.493 57.969 56.400 0.128 0.000 0.801 188 E CB -0.429 29.314 29.700 0.072 0.000 0.743 188 E HN 0.510 nan 8.360 nan 0.000 0.453 189 S N 0.431 116.247 115.700 0.194 0.000 2.423 189 S HA -0.073 4.397 4.470 -0.000 0.000 0.231 189 S C 2.224 177.005 174.600 0.301 0.000 1.014 189 S CA 0.698 59.044 58.200 0.243 0.000 0.965 189 S CB -0.059 63.263 63.200 0.202 0.000 0.785 189 S HN 0.047 nan 8.310 nan 0.000 0.495 190 V N 2.032 122.137 119.914 0.318 0.000 2.307 190 V HA -0.179 3.940 4.120 -0.000 0.000 0.245 190 V C 2.286 178.607 176.094 0.378 0.000 1.045 190 V CA 1.579 64.096 62.300 0.361 0.000 1.024 190 V CB -0.521 31.543 31.823 0.402 0.000 0.651 190 V HN 0.419 nan 8.190 nan 0.000 0.449 191 K N -0.895 119.672 120.400 0.278 0.000 2.063 191 K HA -0.239 4.081 4.320 -0.000 0.000 0.208 191 K C 2.226 178.975 176.600 0.250 0.000 1.048 191 K CA 2.107 58.531 56.287 0.227 0.000 0.928 191 K CB -0.419 32.170 32.500 0.150 0.000 0.713 191 K HN 0.516 nan 8.250 nan 0.000 0.442 192 Y N 1.410 121.785 120.300 0.124 0.000 2.181 192 Y HA -0.240 4.310 4.550 -0.000 0.000 0.288 192 Y C 2.210 178.152 175.900 0.070 0.000 1.146 192 Y CA 1.295 59.440 58.100 0.075 0.000 1.164 192 Y CB -0.487 38.009 38.460 0.059 0.000 0.982 192 Y HN 0.056 nan 8.280 nan 0.000 0.515 193 A N -0.603 122.275 122.820 0.097 0.000 1.933 193 A HA -0.183 4.136 4.320 -0.000 0.000 0.218 193 A C 2.101 179.639 177.584 -0.078 0.000 1.175 193 A CA 1.698 53.746 52.037 0.019 0.000 0.628 193 A CB -1.416 17.639 19.000 0.092 0.000 0.814 193 A HN 0.511 nan 8.150 nan 0.000 0.444 194 F N 0.048 119.993 119.950 -0.008 0.000 2.259 194 F HA -0.066 4.460 4.527 -0.000 0.000 0.298 194 F C 2.399 178.144 175.800 -0.092 0.000 1.088 194 F CA 1.611 59.600 58.000 -0.018 0.000 1.358 194 F CB -0.150 38.856 39.000 0.009 0.000 1.040 194 F HN 0.303 nan 8.300 nan 0.000 0.505 195 E N -0.420 119.780 120.200 -0.000 0.000 2.077 195 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 195 E C 2.155 178.583 176.600 -0.287 0.000 0.989 195 E CA 1.090 57.423 56.400 -0.110 0.000 0.800 195 E CB -0.059 29.576 29.700 -0.108 0.000 0.746 195 E HN 0.353 nan 8.360 nan 0.000 0.452 196 Q N -0.928 118.542 119.800 -0.550 0.000 2.163 196 Q HA -0.008 4.332 4.340 -0.000 0.000 0.198 196 Q C 1.095 176.538 176.000 -0.928 0.000 0.954 196 Q CA 1.034 56.298 55.803 -0.897 0.000 0.851 196 Q CB 0.309 28.174 28.738 -1.454 0.000 0.928 196 Q HN 0.318 nan 8.270 nan 0.000 0.459 197 F N -1.584 118.244 119.950 -0.205 0.000 2.781 197 F HA 0.355 4.881 4.527 -0.000 0.000 0.322 197 F C 1.736 177.410 175.800 -0.211 0.000 1.108 197 F CA -0.175 57.708 58.000 -0.196 0.000 1.179 197 F CB -0.199 38.668 39.000 -0.222 0.000 1.072 197 F HN -0.006 nan 8.300 nan 0.000 0.545 198 G N 0.435 109.197 108.800 -0.064 0.000 2.547 198 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.221 198 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.221 198 G C 1.514 176.450 174.900 0.061 0.000 1.140 198 G CA 1.760 46.870 45.100 0.017 0.000 0.760 198 G HN 0.289 nan 8.290 nan 0.000 0.583 199 D N 0.320 120.743 120.400 0.039 0.000 2.264 199 D HA -0.045 4.595 4.640 -0.000 0.000 0.208 199 D C 1.383 177.696 176.300 0.021 0.000 0.966 199 D CA 0.764 54.785 54.000 0.035 0.000 0.864 199 D CB -0.105 40.707 40.800 0.020 0.000 0.933 199 D HN 0.278 nan 8.370 nan 0.000 0.499 200 D N -0.686 119.717 120.400 0.005 0.000 2.398 200 D HA 0.113 4.752 4.640 -0.000 0.000 0.210 200 D C 0.290 176.557 176.300 -0.056 0.000 1.094 200 D CA -0.172 53.819 54.000 -0.017 0.000 0.839 200 D CB 1.024 41.818 40.800 -0.009 0.000 0.963 200 D HN 0.294 nan 8.370 nan 0.000 0.506 201 I N 1.622 122.141 120.570 -0.085 0.000 2.301 201 I HA 0.154 4.324 4.170 -0.000 0.000 0.292 201 I C 1.449 177.566 176.117 -0.001 0.000 1.046 201 I CA -0.404 60.815 61.300 -0.135 0.000 1.282 201 I CB 1.720 39.457 38.000 -0.438 0.000 1.409 201 I HN -0.164 nan 8.210 nan 0.000 0.484 202 A N 6.095 128.912 122.820 -0.005 0.000 1.929 202 A HA 0.013 4.332 4.320 -0.000 0.000 0.216 202 A C 0.866 178.492 177.584 0.069 0.000 1.176 202 A CA 1.018 53.078 52.037 0.037 0.000 0.628 202 A CB -0.244 18.763 19.000 0.013 0.000 0.816 202 A HN 0.858 nan 8.150 nan 0.000 0.444 203 C N -4.396 114.936 119.300 0.054 0.000 3.292 203 C HA 0.648 5.108 4.460 -0.000 0.000 0.338 203 C C -0.979 174.059 174.990 0.080 0.000 1.323 203 C CA -1.069 57.995 59.018 0.077 0.000 1.232 203 C CB 0.869 28.627 27.740 0.030 0.000 1.517 203 C HN 0.179 nan 8.230 nan 0.000 0.470 204 V N 2.072 122.060 119.914 0.124 0.000 2.417 204 V HA 0.556 4.675 4.120 -0.000 0.000 0.291 204 V C -0.113 176.040 176.094 0.100 0.000 1.024 204 V CA -0.233 62.141 62.300 0.124 0.000 0.861 204 V CB 1.487 33.446 31.823 0.227 0.000 0.985 204 V HN 0.879 nan 8.190 nan 0.000 0.436 205 I N 5.703 126.294 120.570 0.036 0.000 2.377 205 I HA 0.773 4.942 4.170 -0.000 0.000 0.293 205 I C -0.994 175.224 176.117 0.169 0.000 0.987 205 I CA -0.307 60.988 61.300 -0.009 0.000 1.185 205 I CB 1.582 39.420 38.000 -0.270 0.000 1.341 205 I HN 0.474 nan 8.210 nan 0.000 0.455 206 V N 6.852 126.918 119.914 0.252 0.000 3.012 206 V HA 0.417 4.537 4.120 -0.000 0.000 0.307 206 V C -0.999 175.221 176.094 0.210 0.000 1.166 206 V CA -0.459 62.069 62.300 0.381 0.000 0.974 206 V CB 2.480 34.488 31.823 0.308 0.000 1.040 206 V HN 0.817 nan 8.190 nan 0.000 0.428 207 E N 6.681 127.046 120.200 0.275 0.000 2.229 207 E HA 0.299 4.649 4.350 -0.000 0.000 0.283 207 E C -1.883 174.699 176.600 -0.030 0.000 1.030 207 E CA -1.589 54.874 56.400 0.105 0.000 0.836 207 E CB 1.703 31.458 29.700 0.090 0.000 1.068 207 E HN 0.520 nan 8.360 nan 0.000 0.401 208 P HA -0.121 nan 4.420 nan 0.000 0.218 208 P C -0.209 177.081 177.300 -0.015 0.000 1.148 208 P CA 0.891 63.798 63.100 -0.321 0.000 0.822 208 P CB 0.333 31.880 31.700 -0.256 0.000 0.784 209 V N -0.584 119.371 119.914 0.068 0.000 2.482 209 V HA 0.557 4.677 4.120 -0.000 0.000 0.295 209 V C 0.036 176.120 176.094 -0.017 0.000 1.026 209 V CA -1.570 60.786 62.300 0.093 0.000 0.856 209 V CB 1.290 33.184 31.823 0.118 0.000 1.001 209 V HN -0.015 nan 8.190 nan 0.000 0.424 210 A N 3.311 126.016 122.820 -0.192 0.000 2.488 210 A HA 0.590 4.910 4.320 -0.000 0.000 0.249 210 A C 1.228 178.726 177.584 -0.144 0.000 1.083 210 A CA 0.644 52.460 52.037 -0.369 0.000 0.768 210 A CB 0.425 18.897 19.000 -0.879 0.000 1.017 210 A HN 1.231 nan 8.150 nan 0.000 0.496 211 G N 1.754 110.505 108.800 -0.081 0.000 2.815 211 G HA2 0.132 4.092 3.960 -0.000 0.000 0.215 211 G HA3 0.132 4.092 3.960 -0.000 0.000 0.215 211 G C 0.538 175.452 174.900 0.024 0.000 1.054 211 G CA 0.230 45.327 45.100 -0.004 0.000 0.832 211 G HN 0.724 nan 8.290 nan 0.000 0.557 215 V N 0.597 120.572 119.914 0.102 0.000 2.415 215 V HA 0.379 4.499 4.120 -0.000 0.000 0.267 215 V C 0.014 176.244 176.094 0.227 0.000 1.042 215 V CA -0.099 62.257 62.300 0.095 0.000 1.000 215 V CB 0.784 32.599 31.823 -0.014 0.000 1.015 215 V HN 0.548 nan 8.190 nan 0.000 0.478 216 V N 8.460 128.432 119.914 0.096 0.000 2.340 216 V HA 0.318 4.438 4.120 -0.000 0.000 0.277 216 V C -2.277 173.865 176.094 0.081 0.000 1.017 216 V CA -1.747 60.590 62.300 0.060 0.000 0.820 216 V CB 1.534 33.334 31.823 -0.038 0.000 1.028 216 V HN 0.698 nan 8.190 nan 0.000 0.436 217 P HA 0.218 nan 4.420 nan 0.000 0.271 217 P C -2.562 174.822 177.300 0.140 0.000 1.233 217 P CA -1.192 62.002 63.100 0.155 0.000 0.789 217 P CB -0.035 31.773 31.700 0.181 0.000 0.951 218 P HA 0.076 nan 4.420 nan 0.000 0.275 218 P C -0.502 176.755 177.300 -0.072 0.000 1.227 218 P CA -0.048 63.019 63.100 -0.055 0.000 0.781 218 P CB 0.548 32.139 31.700 -0.182 0.000 0.906 219 Q N 2.305 122.034 119.800 -0.119 0.000 2.368 219 Q HA 0.279 4.619 4.340 -0.000 0.000 0.237 219 Q C -1.979 174.009 176.000 -0.020 0.000 0.987 219 Q CA -1.635 54.123 55.803 -0.074 0.000 0.896 219 Q CB -0.659 27.999 28.738 -0.134 0.000 1.241 219 Q HN 0.363 nan 8.270 nan 0.000 0.485 220 P HA 0.006 nan 4.420 nan 0.000 0.262 220 P C 0.489 177.801 177.300 0.020 0.000 1.182 220 P CA 1.067 64.174 63.100 0.012 0.000 0.761 220 P CB 0.270 31.978 31.700 0.013 0.000 0.795 221 G N 2.286 111.097 108.800 0.019 0.000 2.205 221 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.261 221 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.261 221 G C 0.754 175.673 174.900 0.032 0.000 0.980 221 G CA 0.265 45.376 45.100 0.018 0.000 0.632 221 G HN 0.497 nan 8.290 nan 0.000 0.533 222 F N 1.194 121.061 119.950 -0.138 0.000 2.060 222 F HA 0.203 4.730 4.527 -0.000 0.000 0.295 222 F C 2.563 178.262 175.800 -0.169 0.000 1.120 222 F CA 2.188 60.071 58.000 -0.195 0.000 1.205 222 F CB -0.538 38.267 39.000 -0.326 0.000 0.986 222 F HN 0.162 nan 8.300 nan 0.000 0.470 223 L N -0.131 120.891 121.223 -0.334 0.000 2.083 223 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 223 L C 2.285 179.064 176.870 -0.152 0.000 1.083 223 L CA 1.490 56.136 54.840 -0.323 0.000 0.752 223 L CB -0.809 41.157 42.059 -0.156 0.000 0.899 223 L HN 0.131 nan 8.230 nan 0.000 0.433 224 E N 0.444 120.589 120.200 -0.092 0.000 2.072 224 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 224 E C 2.235 178.784 176.600 -0.084 0.000 0.985 224 E CA 1.202 57.569 56.400 -0.056 0.000 0.801 224 E CB -0.559 29.125 29.700 -0.026 0.000 0.750 224 E HN 0.437 nan 8.360 nan 0.000 0.452 225 G N 0.681 109.418 108.800 -0.104 0.000 2.422 225 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.218 225 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.218 225 G C 1.502 176.315 174.900 -0.144 0.000 1.146 225 G CA 0.566 45.607 45.100 -0.099 0.000 0.769 225 G HN 0.145 nan 8.290 nan 0.000 0.547 226 L N -0.209 120.881 121.223 -0.221 0.000 2.056 226 L HA -0.033 4.307 4.340 -0.000 0.000 0.207 226 L C 2.908 179.699 176.870 -0.132 0.000 1.078 226 L CA 1.277 56.005 54.840 -0.187 0.000 0.749 226 L CB -0.344 41.565 42.059 -0.251 0.000 0.901 226 L HN 0.184 nan 8.230 nan 0.000 0.433 227 R N 0.650 121.085 120.500 -0.108 0.000 2.073 227 R HA -0.193 4.147 4.340 -0.000 0.000 0.234 227 R C 2.147 178.379 176.300 -0.113 0.000 1.134 227 R CA 1.692 57.733 56.100 -0.097 0.000 0.952 227 R CB -0.368 29.885 30.300 -0.080 0.000 0.850 227 R HN 0.332 nan 8.270 nan 0.000 0.433 228 E N -0.543 119.589 120.200 -0.113 0.000 2.031 228 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 228 E C 1.837 178.339 176.600 -0.163 0.000 0.994 228 E CA 1.615 57.948 56.400 -0.111 0.000 0.800 228 E CB -0.163 29.485 29.700 -0.087 0.000 0.752 228 E HN 0.230 nan 8.360 nan 0.000 0.447 229 V N 1.061 120.836 119.914 -0.231 0.000 2.407 229 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 229 V C 2.476 178.212 176.094 -0.596 0.000 1.055 229 V CA 2.550 64.603 62.300 -0.412 0.000 1.049 229 V CB -0.585 30.957 31.823 -0.468 0.000 0.662 229 V HN 0.614 nan 8.190 nan 0.000 0.455 230 T N -2.672 111.629 114.554 -0.423 0.000 2.732 230 T HA -0.193 4.157 4.350 -0.000 0.000 0.261 230 T C 1.720 176.329 174.700 -0.150 0.000 1.040 230 T CA 1.539 63.468 62.100 -0.285 0.000 1.145 230 T CB -0.569 68.236 68.868 -0.106 0.000 0.866 230 T HN 0.590 nan 8.240 nan 0.000 0.427 231 E N 1.345 121.473 120.200 -0.119 0.000 2.049 231 E HA -0.224 4.125 4.350 -0.000 0.000 0.198 231 E C 2.596 179.159 176.600 -0.063 0.000 1.007 231 E CA 1.690 58.048 56.400 -0.070 0.000 0.809 231 E CB -0.242 29.417 29.700 -0.069 0.000 0.749 231 E HN 0.648 nan 8.360 nan 0.000 0.450 232 Q N -0.095 119.647 119.800 -0.096 0.000 2.167 232 Q HA -0.055 4.285 4.340 -0.000 0.000 0.202 232 Q C 1.275 177.247 176.000 -0.047 0.000 0.970 232 Q CA 0.790 56.550 55.803 -0.072 0.000 0.855 232 Q CB 0.136 28.822 28.738 -0.086 0.000 0.911 232 Q HN 0.239 nan 8.270 nan 0.000 0.438 233 N N -1.049 117.615 118.700 -0.061 0.000 2.230 233 N HA 0.075 4.815 4.740 -0.000 0.000 0.202 233 N C 0.382 175.951 175.510 0.098 0.000 1.119 233 N CA 0.732 53.811 53.050 0.049 0.000 0.851 233 N CB 1.478 40.061 38.487 0.160 0.000 0.990 233 N HN 0.306 nan 8.380 nan 0.000 0.497 234 G N 0.951 109.784 108.800 0.055 0.000 2.153 234 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.252 234 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.252 234 G C 0.161 175.127 174.900 0.110 0.000 0.994 234 G CA 0.418 45.561 45.100 0.071 0.000 0.698 234 G HN 0.558 nan 8.290 nan 0.000 0.521 235 A N -0.469 122.436 122.820 0.142 0.000 2.295 235 A HA 0.852 5.172 4.320 -0.000 0.000 0.318 235 A C 0.543 178.195 177.584 0.113 0.000 1.134 235 A CA -0.603 51.541 52.037 0.179 0.000 0.827 235 A CB 0.842 20.056 19.000 0.357 0.000 1.136 235 A HN 0.690 nan 8.150 nan 0.000 0.493 236 L N 0.752 122.037 121.223 0.103 0.000 2.399 236 L HA 0.388 4.728 4.340 -0.000 0.000 0.266 236 L C -0.488 176.404 176.870 0.038 0.000 1.114 236 L CA -0.712 54.157 54.840 0.048 0.000 0.804 236 L CB 1.152 43.225 42.059 0.024 0.000 1.146 236 L HN 0.645 nan 8.230 nan 0.000 0.451 237 L N 3.429 124.645 121.223 -0.011 0.000 2.280 237 L HA 0.504 4.844 4.340 -0.000 0.000 0.287 237 L C -0.549 176.311 176.870 -0.016 0.000 1.023 237 L CA 0.155 54.994 54.840 -0.002 0.000 0.819 237 L CB 0.904 42.926 42.059 -0.062 0.000 1.212 237 L HN 0.309 nan 8.230 nan 0.000 0.420 238 I N 5.357 125.970 120.570 0.070 0.000 2.354 238 I HA 0.299 4.469 4.170 -0.000 0.000 0.292 238 I C -0.870 175.416 176.117 0.281 0.000 0.989 238 I CA -0.484 60.868 61.300 0.086 0.000 1.188 238 I CB 1.133 39.150 38.000 0.029 0.000 1.342 238 I HN 0.385 nan 8.210 nan 0.000 0.457 239 F N 4.060 124.015 119.950 0.009 0.000 2.405 239 F HA 0.207 4.734 4.527 -0.000 0.000 0.355 239 F C 0.581 176.404 175.800 0.038 0.000 1.121 239 F CA -1.236 56.785 58.000 0.035 0.000 1.112 239 F CB 0.754 39.774 39.000 0.033 0.000 1.126 239 F HN 0.386 nan 8.300 nan 0.000 0.481 240 D N 3.906 124.424 120.400 0.197 0.000 2.422 240 D HA 0.055 4.695 4.640 -0.000 0.000 0.227 240 D C 0.214 176.593 176.300 0.132 0.000 1.190 240 D CA 0.241 54.334 54.000 0.155 0.000 0.905 240 D CB 0.322 41.261 40.800 0.233 0.000 1.034 240 D HN 0.563 nan 8.370 nan 0.000 0.507 241 E N 2.682 122.950 120.200 0.113 0.000 2.499 241 E HA 0.103 4.453 4.350 -0.000 0.000 0.207 241 E C 0.518 177.152 176.600 0.056 0.000 1.034 241 E CA -0.394 56.043 56.400 0.062 0.000 1.098 241 E CB 1.008 30.722 29.700 0.024 0.000 1.148 241 E HN 0.304 nan 8.360 nan 0.000 0.447 245 G N 1.714 110.465 108.800 -0.082 0.000 2.225 245 G HA2 0.364 4.324 3.960 -0.000 0.000 0.245 245 G HA3 0.364 4.324 3.960 -0.000 0.000 0.245 245 G C 0.455 175.202 174.900 -0.255 0.000 1.249 245 G CA 0.331 45.211 45.100 -0.366 0.000 0.919 245 G HN 0.699 nan 8.290 nan 0.000 0.486 246 F N -0.578 119.413 119.950 0.067 0.000 2.935 246 F HA -0.263 4.264 4.527 -0.000 0.000 0.317 246 F C 1.744 177.717 175.800 0.290 0.000 0.699 246 F CA 1.449 59.531 58.000 0.137 0.000 1.127 246 F CB -1.371 37.691 39.000 0.104 0.000 1.491 246 F HN 0.600 nan 8.300 nan 0.000 0.337 247 R N -0.016 120.650 120.500 0.275 0.000 2.197 247 R HA 0.284 4.624 4.340 -0.000 0.000 0.188 247 R C 1.833 178.254 176.300 0.203 0.000 1.015 247 R CA 0.779 57.014 56.100 0.225 0.000 1.132 247 R CB -0.085 30.281 30.300 0.111 0.000 1.134 247 R HN 0.113 nan 8.270 nan 0.000 0.560 248 V N 1.303 121.251 119.914 0.058 0.000 2.295 248 V HA 0.032 4.151 4.120 -0.000 0.000 0.246 248 V C 0.962 176.983 176.094 -0.122 0.000 1.049 248 V CA 1.715 63.966 62.300 -0.082 0.000 1.024 248 V CB -0.160 31.575 31.823 -0.148 0.000 0.648 248 V HN 0.515 nan 8.190 nan 0.000 0.447 249 A N -3.246 119.465 122.820 -0.183 0.000 2.602 249 A HA 0.557 4.876 4.320 -0.000 0.000 0.290 249 A C 0.018 177.094 177.584 -0.847 0.000 1.114 249 A CA -0.241 51.540 52.037 -0.426 0.000 0.683 249 A CB 0.191 19.086 19.000 -0.174 0.000 1.281 249 A HN 0.082 nan 8.150 nan 0.000 0.416 250 Y N 1.005 120.594 120.300 -1.184 0.000 2.114 250 Y HA -0.205 4.344 4.550 -0.001 0.000 0.282 250 Y C 1.245 177.003 175.900 -0.237 0.000 1.165 250 Y CA 2.896 60.541 58.100 -0.758 0.000 1.148 250 Y CB -0.065 38.216 38.460 -0.299 0.000 0.972 250 Y HN 0.723 nan 8.280 nan 0.000 0.504 251 N N -0.285 118.345 118.700 -0.117 0.000 2.376 251 N HA 0.232 4.972 4.740 -0.000 0.000 0.249 251 N C -0.866 174.582 175.510 -0.103 0.000 1.140 251 N CA 0.254 53.244 53.050 -0.099 0.000 0.870 251 N CB 0.024 38.523 38.487 0.021 0.000 1.124 251 N HN 0.234 nan 8.380 nan 0.000 0.505 252 C N -2.008 117.186 119.300 -0.177 0.000 0.168 252 C HA -0.182 4.277 4.460 -0.000 0.000 0.017 252 C C 2.450 177.433 174.990 -0.012 0.000 0.171 252 C CA -0.407 58.516 59.018 -0.157 0.000 0.499 252 C CB -0.991 26.605 27.740 -0.240 0.000 3.212 252 C HN 0.580 nan 8.230 nan 0.000 1.118 253 G N 0.351 109.184 108.800 0.055 0.000 2.418 253 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 253 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 253 G C 1.292 176.405 174.900 0.355 0.000 1.158 253 G CA 1.402 46.625 45.100 0.204 0.000 0.771 253 G HN 1.089 nan 8.290 nan 0.000 0.545 254 Q N -0.051 119.974 119.800 0.375 0.000 2.124 254 Q HA 0.035 4.375 4.340 -0.000 0.000 0.202 254 Q C 2.494 178.627 176.000 0.221 0.000 0.977 254 Q CA 1.617 57.672 55.803 0.421 0.000 0.850 254 Q CB -0.660 28.244 28.738 0.277 0.000 0.901 254 Q HN 0.333 nan 8.270 nan 0.000 0.429 255 G N 0.060 108.942 108.800 0.136 0.000 2.408 255 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.215 255 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.215 255 G C 1.123 176.071 174.900 0.079 0.000 1.156 255 G CA 0.527 45.677 45.100 0.083 0.000 0.793 255 G HN 0.411 nan 8.290 nan 0.000 0.535 256 Y N 0.511 120.764 120.300 -0.079 0.000 2.181 256 Y HA -0.090 4.459 4.550 -0.001 0.000 0.288 256 Y C 2.119 177.862 175.900 -0.262 0.000 1.146 256 Y CA 1.262 59.226 58.100 -0.227 0.000 1.164 256 Y CB -0.034 38.183 38.460 -0.406 0.000 0.982 256 Y HN 0.256 nan 8.280 nan 0.000 0.515 257 Y N -0.599 119.753 120.300 0.086 0.000 2.500 257 Y HA 0.274 4.824 4.550 -0.000 0.000 0.270 257 Y C 1.907 177.816 175.900 0.014 0.000 1.134 257 Y CA 0.266 58.375 58.100 0.015 0.000 1.293 257 Y CB -0.132 38.397 38.460 0.115 0.000 1.063 257 Y HN 0.161 nan 8.280 nan 0.000 0.534 258 G N 0.813 109.696 108.800 0.138 0.000 2.221 258 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.265 258 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.265 258 G C -0.477 174.478 174.900 0.093 0.000 1.041 258 G CA 0.357 45.506 45.100 0.082 0.000 0.807 258 G HN 0.144 nan 8.290 nan 0.000 0.502 259 V N 0.595 120.602 119.914 0.155 0.000 2.409 259 V HA 0.577 4.697 4.120 -0.000 0.000 0.291 259 V C 0.430 176.502 176.094 -0.037 0.000 1.020 259 V CA -0.311 62.048 62.300 0.100 0.000 0.848 259 V CB 1.904 33.863 31.823 0.228 0.000 0.990 259 V HN 0.292 nan 8.190 nan 0.000 0.430 260 T N 8.041 122.511 114.554 -0.139 0.000 2.762 260 T HA 0.380 4.730 4.350 -0.000 0.000 0.303 260 T C -2.202 172.277 174.700 -0.367 0.000 0.977 260 T CA -0.843 61.123 62.100 -0.224 0.000 0.961 260 T CB 1.245 70.041 68.868 -0.120 0.000 0.944 260 T HN 0.521 nan 8.240 nan 0.000 0.481 261 P HA 0.352 nan 4.420 nan 0.000 0.279 261 P C 0.128 177.253 177.300 -0.291 0.000 1.276 261 P CA -0.453 62.302 63.100 -0.575 0.000 0.801 261 P CB 1.296 32.442 31.700 -0.922 0.000 1.127 262 D N -0.678 119.600 120.400 -0.203 0.000 2.183 262 D HA 0.088 4.728 4.640 -0.000 0.000 0.205 262 D C 0.625 176.847 176.300 -0.129 0.000 0.962 262 D CA 1.283 55.195 54.000 -0.148 0.000 0.849 262 D CB 0.213 40.938 40.800 -0.125 0.000 0.978 262 D HN 0.256 nan 8.370 nan 0.000 0.488 263 L N -0.203 120.959 121.223 -0.102 0.000 2.388 263 L HA 0.390 4.729 4.340 -0.000 0.000 0.264 263 L C -0.542 176.323 176.870 -0.008 0.000 0.998 263 L CA -0.440 54.375 54.840 -0.041 0.000 0.817 263 L CB 2.736 44.789 42.059 -0.010 0.000 1.338 263 L HN -0.321 nan 8.230 nan 0.000 0.414 264 T N 0.377 114.952 114.554 0.035 0.000 2.861 264 T HA 0.442 4.791 4.350 -0.000 0.000 0.287 264 T C -0.880 173.885 174.700 0.109 0.000 1.003 264 T CA -0.340 61.807 62.100 0.078 0.000 0.977 264 T CB 1.402 70.299 68.868 0.048 0.000 0.996 264 T HN 0.494 nan 8.240 nan 0.000 0.448 265 C N 3.903 123.273 119.300 0.116 0.000 2.355 265 C HA 0.792 5.252 4.460 -0.000 0.000 0.332 265 C C -0.081 174.975 174.990 0.109 0.000 1.255 265 C CA -0.897 58.194 59.018 0.121 0.000 1.792 265 C CB -0.454 27.338 27.740 0.087 0.000 2.300 265 C HN 0.744 nan 8.230 nan 0.000 0.515 266 L N 2.207 123.506 121.223 0.127 0.000 2.309 266 L HA 0.980 5.320 4.340 -0.000 0.000 0.261 266 L C 0.531 177.490 176.870 0.149 0.000 1.021 266 L CA -0.084 54.841 54.840 0.142 0.000 0.823 266 L CB 2.121 44.303 42.059 0.203 0.000 1.366 266 L HN 0.921 nan 8.230 nan 0.000 0.423 267 G N -0.697 108.203 108.800 0.167 0.000 2.428 267 G HA2 0.348 4.308 3.960 -0.000 0.000 0.305 267 G HA3 0.348 4.308 3.960 -0.000 0.000 0.305 267 G C -0.967 174.018 174.900 0.141 0.000 1.260 267 G CA -0.116 45.066 45.100 0.137 0.000 0.853 267 G HN 0.544 nan 8.290 nan 0.000 0.480 268 K N -2.180 118.279 120.400 0.100 0.000 2.844 268 K HA -0.312 4.008 4.320 -0.000 0.000 0.177 268 K C 1.883 178.526 176.600 0.071 0.000 0.804 268 K CA 2.186 58.516 56.287 0.072 0.000 0.458 268 K CB -1.768 30.766 32.500 0.057 0.000 0.759 268 K HN 0.539 nan 8.250 nan 0.000 0.761 269 V N 1.708 121.682 119.914 0.100 0.000 2.469 269 V HA -0.231 3.889 4.120 -0.000 0.000 0.251 269 V C 2.248 178.370 176.094 0.046 0.000 1.064 269 V CA 2.245 64.593 62.300 0.079 0.000 1.066 269 V CB -0.550 31.367 31.823 0.156 0.000 0.667 269 V HN 0.440 nan 8.190 nan 0.000 0.461 270 I N 0.685 121.323 120.570 0.112 0.000 2.399 270 I HA -0.209 3.961 4.170 -0.000 0.000 0.254 270 I C 2.063 178.176 176.117 -0.006 0.000 1.146 270 I CA 1.647 62.947 61.300 -0.001 0.000 1.412 270 I CB -0.233 37.856 38.000 0.147 0.000 1.076 270 I HN 0.400 nan 8.210 nan 0.000 0.432 271 G N -0.749 108.069 108.800 0.031 0.000 2.744 271 G HA2 0.099 4.058 3.960 -0.000 0.000 0.211 271 G HA3 0.099 4.058 3.960 -0.000 0.000 0.211 271 G C 1.240 176.154 174.900 0.024 0.000 1.146 271 G CA 0.417 45.536 45.100 0.031 0.000 0.787 271 G HN 0.588 nan 8.290 nan 0.000 0.534 272 G N -0.325 108.481 108.800 0.011 0.000 2.321 272 G HA2 0.201 4.160 3.960 -0.000 0.000 0.287 272 G HA3 0.201 4.160 3.960 -0.000 0.000 0.287 272 G C 1.165 176.077 174.900 0.020 0.000 1.018 272 G CA 1.201 46.307 45.100 0.011 0.000 0.855 272 G HN 1.828 nan 8.290 nan 0.000 0.507 273 G N -2.899 105.913 108.800 0.019 0.000 2.184 273 G HA2 0.025 3.985 3.960 -0.000 0.000 0.206 273 G HA3 0.025 3.985 3.960 -0.000 0.000 0.206 273 G C 0.092 175.020 174.900 0.046 0.000 0.995 273 G CA 0.339 45.458 45.100 0.031 0.000 0.651 273 G HN 1.203 nan 8.290 nan 0.000 0.511 274 L N 0.943 122.192 121.223 0.044 0.000 2.333 274 L HA 0.693 5.032 4.340 -0.000 0.000 0.269 274 L C -2.181 174.718 176.870 0.048 0.000 1.010 274 L CA -2.264 52.603 54.840 0.046 0.000 0.818 274 L CB 1.686 43.771 42.059 0.043 0.000 1.306 274 L HN -0.159 nan 8.230 nan 0.000 0.430 275 P HA 0.232 nan 4.420 nan 0.000 0.273 275 P C -1.365 175.967 177.300 0.052 0.000 1.319 275 P CA 0.010 63.141 63.100 0.052 0.000 0.885 275 P CB 0.372 32.102 31.700 0.051 0.000 1.015 276 V N 2.963 122.912 119.914 0.058 0.000 2.888 276 V HA 0.862 4.982 4.120 -0.000 0.000 0.309 276 V C 0.388 176.529 176.094 0.077 0.000 1.114 276 V CA -0.580 61.757 62.300 0.062 0.000 0.940 276 V CB 2.389 34.246 31.823 0.056 0.000 1.021 276 V HN 0.616 nan 8.190 nan 0.000 0.426 277 G N 1.291 110.142 108.800 0.084 0.000 2.725 277 G HA2 1.006 4.966 3.960 -0.000 0.000 0.288 277 G HA3 1.006 4.966 3.960 -0.000 0.000 0.288 277 G C -1.262 173.706 174.900 0.113 0.000 1.399 277 G CA -0.284 44.878 45.100 0.104 0.000 0.859 277 G HN 1.434 nan 8.290 nan 0.000 0.479 278 A N -0.862 122.042 122.820 0.141 0.000 2.605 278 A HA 0.765 5.085 4.320 -0.000 0.000 0.294 278 A C -1.659 176.043 177.584 0.195 0.000 1.062 278 A CA -0.705 51.407 52.037 0.124 0.000 0.682 278 A CB 0.986 20.036 19.000 0.084 0.000 1.278 278 A HN 1.973 nan 8.150 nan 0.000 0.410 279 Y N -0.445 119.867 120.300 0.020 0.000 2.442 279 Y HA 0.883 5.433 4.550 0.000 0.000 0.344 279 Y C 0.135 176.035 175.900 -0.001 0.000 0.976 279 Y CA -0.467 57.637 58.100 0.006 0.000 1.040 279 Y CB 1.674 40.128 38.460 -0.011 0.000 1.228 279 Y HN 1.282 nan 8.280 nan 0.000 0.451 280 G N 0.171 108.987 108.800 0.027 0.000 2.682 280 G HA2 0.731 4.690 3.960 -0.000 0.000 0.290 280 G HA3 0.731 4.690 3.960 -0.000 0.000 0.290 280 G C -0.889 174.001 174.900 -0.017 0.000 1.425 280 G CA -0.533 44.534 45.100 -0.055 0.000 0.807 280 G HN 1.454 nan 8.290 nan 0.000 0.482 281 G N -1.014 107.758 108.800 -0.047 0.000 2.399 281 G HA2 0.389 4.348 3.960 -0.000 0.000 0.256 281 G HA3 0.389 4.348 3.960 -0.000 0.000 0.256 281 G C -1.145 173.711 174.900 -0.074 0.000 1.236 281 G CA -0.942 44.121 45.100 -0.061 0.000 0.914 281 G HN 0.625 nan 8.290 nan 0.000 0.482 282 K N 0.744 121.086 120.400 -0.097 0.000 2.484 282 K HA 0.371 4.690 4.320 -0.000 0.000 0.280 282 K C 1.505 178.054 176.600 -0.085 0.000 1.013 282 K CA 0.433 56.665 56.287 -0.091 0.000 1.029 282 K CB 1.368 33.799 32.500 -0.115 0.000 0.902 282 K HN 0.658 nan 8.250 nan 0.000 0.481 283 A N 3.756 126.544 122.820 -0.054 0.000 1.908 283 A HA -0.218 4.101 4.320 -0.000 0.000 0.218 283 A C 1.897 179.464 177.584 -0.028 0.000 1.181 283 A CA 1.830 53.844 52.037 -0.038 0.000 0.627 283 A CB -0.378 18.609 19.000 -0.022 0.000 0.818 283 A HN 0.920 nan 8.150 nan 0.000 0.445 284 E N 0.442 120.631 120.200 -0.018 0.000 2.268 284 E HA -0.069 4.280 4.350 -0.000 0.000 0.195 284 E C 0.912 177.524 176.600 0.019 0.000 0.995 284 E CA 0.369 56.788 56.400 0.032 0.000 0.836 284 E CB -0.537 29.212 29.700 0.081 0.000 0.763 284 E HN 0.654 nan 8.360 nan 0.000 0.491 288 Q N 0.761 120.609 119.800 0.080 0.000 2.472 288 Q HA 0.144 4.483 4.340 -0.000 0.000 0.208 288 Q C 0.320 176.368 176.000 0.080 0.000 0.958 288 Q CA 0.589 56.452 55.803 0.100 0.000 0.932 288 Q CB 0.551 29.389 28.738 0.167 0.000 1.007 288 Q HN 0.102 nan 8.270 nan 0.000 0.508 289 V N 1.544 121.496 119.914 0.064 0.000 2.649 289 V HA 0.284 4.404 4.120 -0.000 0.000 0.292 289 V C 0.430 176.535 176.094 0.019 0.000 1.055 289 V CA -0.725 61.608 62.300 0.055 0.000 1.023 289 V CB 1.138 33.006 31.823 0.076 0.000 0.992 289 V HN 0.211 nan 8.190 nan 0.000 0.480 290 A N 7.149 129.964 122.820 -0.009 0.000 2.511 290 A HA 0.340 4.660 4.320 -0.000 0.000 0.242 290 A C -0.965 176.586 177.584 -0.055 0.000 1.069 290 A CA -0.610 51.412 52.037 -0.024 0.000 0.763 290 A CB -0.062 18.898 19.000 -0.067 0.000 1.001 290 A HN 0.774 nan 8.150 nan 0.000 0.498 291 P HA -0.020 nan 4.420 nan 0.000 0.251 291 P C 1.095 178.410 177.300 0.026 0.000 1.223 291 P CA 0.963 64.076 63.100 0.021 0.000 0.796 291 P CB 0.177 31.891 31.700 0.023 0.000 1.068 292 S N -1.017 114.692 115.700 0.016 0.000 2.383 292 S HA 0.119 4.589 4.470 -0.000 0.000 0.227 292 S C 1.323 175.943 174.600 0.034 0.000 1.026 292 S CA 0.809 59.022 58.200 0.021 0.000 0.981 292 S CB -0.953 62.255 63.200 0.013 0.000 0.818 292 S HN 0.248 nan 8.310 nan 0.000 0.472 293 G N 0.784 109.609 108.800 0.042 0.000 3.140 293 G HA2 0.578 4.538 3.960 -0.000 0.000 0.271 293 G HA3 0.578 4.538 3.960 -0.000 0.000 0.271 293 G C -2.608 172.333 174.900 0.068 0.000 1.370 293 G CA -1.215 43.919 45.100 0.055 0.000 1.014 293 G HN 0.083 nan 8.290 nan 0.000 0.541 294 P HA 0.174 nan 4.420 nan 0.000 0.251 294 P C 0.362 177.728 177.300 0.109 0.000 1.223 294 P CA 0.085 63.236 63.100 0.087 0.000 0.796 294 P CB 0.385 32.123 31.700 0.063 0.000 1.068 295 I N 0.798 121.426 120.570 0.097 0.000 2.406 295 I HA 0.058 4.228 4.170 -0.000 0.000 0.293 295 I C 0.474 176.656 176.117 0.107 0.000 1.101 295 I CA -0.743 60.617 61.300 0.100 0.000 1.334 295 I CB -0.379 37.670 38.000 0.082 0.000 1.421 295 I HN -0.126 nan 8.210 nan 0.000 0.513 296 Y N 7.183 127.502 120.300 0.032 0.000 2.465 296 Y HA 0.208 4.758 4.550 -0.000 0.000 0.331 296 Y C 0.238 176.159 175.900 0.036 0.000 1.102 296 Y CA 0.566 58.686 58.100 0.033 0.000 1.358 296 Y CB 0.329 38.803 38.460 0.022 0.000 1.213 296 Y HN 0.504 nan 8.280 nan 0.000 0.525 297 Q N 4.456 123.933 119.800 -0.538 0.000 2.327 297 Q HA 0.684 5.023 4.340 -0.000 0.000 0.265 297 Q C -2.191 173.529 176.000 -0.468 0.000 0.993 297 Q CA -0.583 55.042 55.803 -0.297 0.000 0.885 297 Q CB 1.888 30.600 28.738 -0.043 0.000 1.379 297 Q HN 0.823 nan 8.270 nan 0.000 0.408 298 A N 1.349 124.023 122.820 -0.244 0.000 2.587 298 A HA 0.999 5.319 4.320 -0.000 0.000 0.293 298 A C -1.065 176.523 177.584 0.006 0.000 1.087 298 A CA -0.044 51.917 52.037 -0.127 0.000 0.692 298 A CB 2.085 21.053 19.000 -0.054 0.000 1.291 298 A HN 0.764 nan 8.150 nan 0.000 0.407 299 G N -0.631 108.182 108.800 0.022 0.000 2.760 299 G HA2 0.485 4.445 3.960 -0.000 0.000 0.296 299 G HA3 0.485 4.445 3.960 -0.000 0.000 0.296 299 G C 0.129 175.054 174.900 0.040 0.000 1.427 299 G CA 0.480 45.605 45.100 0.041 0.000 1.109 299 G HN 0.663 nan 8.290 nan 0.000 0.553 300 T N 2.218 116.799 114.554 0.044 0.000 2.746 300 T HA -0.072 4.278 4.350 -0.000 0.000 0.267 300 T C 1.996 176.715 174.700 0.032 0.000 1.039 300 T CA 0.805 62.929 62.100 0.040 0.000 1.142 300 T CB -0.056 68.835 68.868 0.038 0.000 0.866 300 T HN 0.233 nan 8.240 nan 0.000 0.444 301 L N 1.320 122.560 121.223 0.029 0.000 2.592 301 L HA 0.275 4.614 4.340 -0.000 0.000 0.227 301 L C 0.762 177.649 176.870 0.028 0.000 1.127 301 L CA 0.366 55.220 54.840 0.023 0.000 0.884 301 L CB -0.871 41.200 42.059 0.020 0.000 1.065 301 L HN 0.136 nan 8.230 nan 0.000 0.457 302 S N 0.353 116.073 115.700 0.033 0.000 2.563 302 S HA 0.251 4.721 4.470 -0.000 0.000 0.294 302 S C 1.337 175.956 174.600 0.031 0.000 1.279 302 S CA 0.649 58.869 58.200 0.033 0.000 1.069 302 S CB 0.529 63.748 63.200 0.031 0.000 0.828 302 S HN 0.630 nan 8.310 nan 0.000 0.497 303 G N 2.977 111.796 108.800 0.032 0.000 2.179 303 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.257 303 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.257 303 G C 0.089 175.016 174.900 0.046 0.000 1.010 303 G CA 0.153 45.273 45.100 0.034 0.000 0.736 303 G HN 0.933 nan 8.290 nan 0.000 0.513 304 N N 0.048 118.772 118.700 0.039 0.000 2.454 304 N HA 0.199 4.938 4.740 -0.000 0.000 0.254 304 N C -1.320 174.218 175.510 0.047 0.000 1.228 304 N CA -0.663 52.408 53.050 0.035 0.000 0.900 304 N CB 1.342 39.830 38.487 0.002 0.000 1.089 304 N HN 0.036 nan 8.380 nan 0.000 0.449 305 P HA -0.125 nan 4.420 nan 0.000 0.218 305 P C 1.699 179.031 177.300 0.054 0.000 1.148 305 P CA 0.479 63.630 63.100 0.084 0.000 0.822 305 P CB 0.176 31.970 31.700 0.156 0.000 0.784 306 L N -0.930 120.311 121.223 0.030 0.000 2.017 306 L HA -0.011 4.329 4.340 -0.000 0.000 0.208 306 L C 1.344 178.238 176.870 0.039 0.000 1.073 306 L CA 1.225 56.081 54.840 0.028 0.000 0.745 306 L CB -1.501 40.563 42.059 0.008 0.000 0.894 306 L HN -0.150 nan 8.230 nan 0.000 0.432 310 A N 0.434 123.303 122.820 0.081 0.000 1.877 310 A HA 0.264 4.584 4.320 -0.000 0.000 0.216 310 A C 2.332 179.953 177.584 0.062 0.000 1.186 310 A CA 2.515 54.594 52.037 0.069 0.000 0.620 310 A CB -1.310 17.723 19.000 0.055 0.000 0.822 310 A HN 1.372 nan 8.150 nan 0.000 0.443 311 G N -1.800 107.032 108.800 0.053 0.000 2.418 311 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 311 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 311 G C 1.571 176.472 174.900 0.002 0.000 1.158 311 G CA 1.271 46.378 45.100 0.011 0.000 0.771 311 G HN 0.560 nan 8.290 nan 0.000 0.545 312 Y N 1.434 121.716 120.300 -0.029 0.000 2.114 312 Y HA -0.101 4.449 4.550 0.000 0.000 0.284 312 Y C 2.850 178.745 175.900 -0.010 0.000 1.143 312 Y CA 2.091 60.175 58.100 -0.027 0.000 1.135 312 Y CB 0.063 38.517 38.460 -0.010 0.000 0.980 312 Y HN 0.140 nan 8.280 nan 0.000 0.499 313 E N -0.576 119.665 120.200 0.069 0.000 2.153 313 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 313 E C 2.162 178.740 176.600 -0.036 0.000 0.988 313 E CA 1.560 57.965 56.400 0.008 0.000 0.811 313 E CB -0.508 29.238 29.700 0.077 0.000 0.746 313 E HN 0.509 nan 8.360 nan 0.000 0.466 314 T N 1.571 116.133 114.554 0.013 0.000 2.732 314 T HA -0.020 4.330 4.350 -0.000 0.000 0.261 314 T C 2.112 176.873 174.700 0.101 0.000 1.040 314 T CA 0.700 62.877 62.100 0.127 0.000 1.145 314 T CB -0.176 68.731 68.868 0.064 0.000 0.866 314 T HN 0.092 nan 8.240 nan 0.000 0.427 315 L N 0.762 121.914 121.223 -0.119 0.000 2.093 315 L HA -0.001 4.339 4.340 -0.000 0.000 0.208 315 L C 2.669 179.443 176.870 -0.160 0.000 1.085 315 L CA 0.696 55.419 54.840 -0.196 0.000 0.755 315 L CB -0.654 41.163 42.059 -0.402 0.000 0.904 315 L HN 0.133 nan 8.230 nan 0.000 0.435 316 V N -0.141 119.583 119.914 -0.316 0.000 2.626 316 V HA -0.260 3.860 4.120 -0.000 0.000 0.252 316 V C 2.238 178.274 176.094 -0.097 0.000 1.067 316 V CA 1.671 63.792 62.300 -0.298 0.000 1.081 316 V CB -0.164 31.305 31.823 -0.589 0.000 0.686 316 V HN 0.535 nan 8.190 nan 0.000 0.468 317 Q N -0.623 119.140 119.800 -0.063 0.000 2.432 317 Q HA 0.154 4.494 4.340 -0.000 0.000 0.205 317 Q C 0.288 176.335 176.000 0.079 0.000 0.945 317 Q CA 0.142 55.907 55.803 -0.064 0.000 0.924 317 Q CB 0.207 28.757 28.738 -0.315 0.000 1.016 317 Q HN 0.505 nan 8.270 nan 0.000 0.503 318 L N 1.708 123.052 121.223 0.201 0.000 2.290 318 L HA 0.217 4.557 4.340 -0.000 0.000 0.284 318 L C 0.353 177.448 176.870 0.375 0.000 1.078 318 L CA -0.348 54.666 54.840 0.290 0.000 0.815 318 L CB 1.039 43.317 42.059 0.365 0.000 1.162 318 L HN 0.037 nan 8.230 nan 0.000 0.435 319 T N -0.557 114.175 114.554 0.298 0.000 2.926 319 T HA 0.458 4.808 4.350 -0.000 0.000 0.289 319 T C -2.255 172.526 174.700 0.134 0.000 1.054 319 T CA -2.047 60.175 62.100 0.204 0.000 1.015 319 T CB 1.979 70.869 68.868 0.037 0.000 1.167 319 T HN 0.160 nan 8.240 nan 0.000 0.526 320 P HA -0.077 nan 4.420 nan 0.000 0.218 320 P C 1.330 178.656 177.300 0.044 0.000 1.148 320 P CA 0.923 63.918 63.100 -0.174 0.000 0.822 320 P CB 0.125 31.602 31.700 -0.372 0.000 0.784 321 E N -0.390 119.790 120.200 -0.033 0.000 2.204 321 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 321 E C 1.839 178.356 176.600 -0.140 0.000 0.989 321 E CA 1.225 57.591 56.400 -0.057 0.000 0.824 321 E CB -0.989 28.673 29.700 -0.064 0.000 0.756 321 E HN 0.059 nan 8.360 nan 0.000 0.477 322 S N -0.408 115.162 115.700 -0.216 0.000 2.370 322 S HA -0.179 4.291 4.470 -0.000 0.000 0.226 322 S C 1.580 175.577 174.600 -1.004 0.000 1.033 322 S CA 1.482 59.301 58.200 -0.635 0.000 1.011 322 S CB -0.494 62.307 63.200 -0.665 0.000 0.852 322 S HN 0.435 nan 8.310 nan 0.000 0.457 323 Y N 0.834 120.977 120.300 -0.261 0.000 2.337 323 Y HA 0.025 4.575 4.550 -0.001 0.000 0.293 323 Y C 2.437 178.339 175.900 0.002 0.000 1.123 323 Y CA 0.158 58.253 58.100 -0.009 0.000 1.201 323 Y CB -0.699 37.861 38.460 0.167 0.000 1.011 323 Y HN 0.033 nan 8.280 nan 0.000 0.545 324 V N 0.032 119.987 119.914 0.068 0.000 2.295 324 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 324 V C 2.367 178.462 176.094 0.002 0.000 1.049 324 V CA 2.192 64.519 62.300 0.045 0.000 1.024 324 V CB -0.427 31.406 31.823 0.017 0.000 0.648 324 V HN 0.261 nan 8.190 nan 0.000 0.447 325 E N 0.132 120.271 120.200 -0.102 0.000 2.077 325 E HA -0.175 4.174 4.350 -0.000 0.000 0.193 325 E C 1.894 178.488 176.600 -0.010 0.000 0.989 325 E CA 1.492 57.831 56.400 -0.100 0.000 0.800 325 E CB -0.373 29.215 29.700 -0.187 0.000 0.746 325 E HN 0.514 nan 8.360 nan 0.000 0.452 326 F N 1.248 121.187 119.950 -0.018 0.000 2.134 326 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 326 F C 2.251 178.053 175.800 0.002 0.000 1.097 326 F CA 1.380 59.367 58.000 -0.022 0.000 1.264 326 F CB -0.763 38.213 39.000 -0.040 0.000 1.001 326 F HN 0.161 nan 8.300 nan 0.000 0.479 327 E N -0.347 119.984 120.200 0.218 0.000 2.106 327 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 327 E C 2.358 179.011 176.600 0.089 0.000 0.984 327 E CA 0.797 57.276 56.400 0.132 0.000 0.806 327 E CB -0.197 29.578 29.700 0.125 0.000 0.750 327 E HN 0.301 nan 8.360 nan 0.000 0.458 328 R N 1.450 121.997 120.500 0.079 0.000 2.073 328 R HA -0.151 4.188 4.340 -0.000 0.000 0.234 328 R C 1.976 178.311 176.300 0.058 0.000 1.134 328 R CA 1.558 57.692 56.100 0.056 0.000 0.952 328 R CB 0.091 30.416 30.300 0.041 0.000 0.850 328 R HN -0.027 nan 8.270 nan 0.000 0.433 329 K N -0.315 120.133 120.400 0.079 0.000 2.097 329 K HA -0.034 4.286 4.320 -0.000 0.000 0.205 329 K C 2.046 178.678 176.600 0.053 0.000 1.050 329 K CA 1.200 57.535 56.287 0.080 0.000 0.938 329 K CB -0.053 32.517 32.500 0.117 0.000 0.718 329 K HN 0.217 nan 8.250 nan 0.000 0.442 330 A N 1.481 124.329 122.820 0.047 0.000 1.930 330 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 330 A C 1.243 178.825 177.584 -0.003 0.000 1.175 330 A CA 0.802 52.841 52.037 0.003 0.000 0.627 330 A CB -0.276 18.723 19.000 -0.002 0.000 0.815 330 A HN 0.331 nan 8.150 nan 0.000 0.443 334 E N 1.619 121.785 120.200 -0.056 0.000 2.058 334 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 334 E C 1.855 178.428 176.600 -0.045 0.000 0.997 334 E CA 1.859 58.225 56.400 -0.058 0.000 0.801 334 E CB 0.140 29.813 29.700 -0.046 0.000 0.746 334 E HN 0.494 nan 8.360 nan 0.000 0.450 335 A N 0.728 123.531 122.820 -0.028 0.000 1.877 335 A HA -0.094 4.225 4.320 -0.000 0.000 0.216 335 A C 2.454 180.021 177.584 -0.028 0.000 1.186 335 A CA 1.846 53.871 52.037 -0.020 0.000 0.620 335 A CB -1.202 17.793 19.000 -0.008 0.000 0.822 335 A HN 0.463 nan 8.150 nan 0.000 0.443 336 G N -0.503 108.280 108.800 -0.027 0.000 2.408 336 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.217 336 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.217 336 G C 1.569 176.445 174.900 -0.040 0.000 1.150 336 G CA 0.938 46.023 45.100 -0.025 0.000 0.776 336 G HN 0.410 nan 8.290 nan 0.000 0.542 337 L N -0.323 120.864 121.223 -0.060 0.000 2.093 337 L HA 0.037 4.376 4.340 -0.000 0.000 0.208 337 L C 2.921 179.705 176.870 -0.144 0.000 1.085 337 L CA 1.012 55.799 54.840 -0.088 0.000 0.755 337 L CB -0.287 41.705 42.059 -0.112 0.000 0.904 337 L HN 0.183 nan 8.230 nan 0.000 0.435 338 R N 0.556 120.981 120.500 -0.125 0.000 2.075 338 R HA -0.202 4.138 4.340 -0.000 0.000 0.232 338 R C 2.342 178.539 176.300 -0.171 0.000 1.126 338 R CA 1.504 57.509 56.100 -0.158 0.000 0.963 338 R CB -0.037 30.244 30.300 -0.030 0.000 0.858 338 R HN 0.183 nan 8.270 nan 0.000 0.435 339 K N -0.205 120.139 120.400 -0.094 0.000 2.057 339 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 339 K C 1.910 178.460 176.600 -0.084 0.000 1.049 339 K CA 1.411 57.656 56.287 -0.070 0.000 0.931 339 K CB -0.112 32.364 32.500 -0.041 0.000 0.714 339 K HN 0.258 nan 8.250 nan 0.000 0.440 340 A N 0.846 123.629 122.820 -0.062 0.000 1.898 340 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 340 A C 2.266 179.856 177.584 0.011 0.000 1.181 340 A CA 1.710 53.757 52.037 0.017 0.000 0.620 340 A CB -0.647 18.387 19.000 0.056 0.000 0.819 340 A HN 0.444 nan 8.150 nan 0.000 0.442 341 A N -0.232 122.491 122.820 -0.161 0.000 1.898 341 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 341 A C 1.927 179.402 177.584 -0.182 0.000 1.181 341 A CA 1.629 53.515 52.037 -0.252 0.000 0.620 341 A CB -0.493 18.059 19.000 -0.745 0.000 0.819 341 A HN 0.613 nan 8.150 nan 0.000 0.442 342 E N -0.432 119.644 120.200 -0.206 0.000 2.051 342 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 342 E C 2.109 178.668 176.600 -0.068 0.000 0.991 342 E CA 1.393 57.762 56.400 -0.051 0.000 0.799 342 E CB -0.139 29.546 29.700 -0.024 0.000 0.748 342 E HN 0.631 nan 8.360 nan 0.000 0.449 343 K N 0.328 120.640 120.400 -0.146 0.000 2.044 343 K HA -0.188 4.132 4.320 -0.000 0.000 0.210 343 K C 1.550 177.921 176.600 -0.382 0.000 1.049 343 K CA 1.449 57.564 56.287 -0.287 0.000 0.927 343 K CB -0.010 32.245 32.500 -0.410 0.000 0.713 343 K HN 0.266 nan 8.250 nan 0.000 0.443 344 H N -1.250 117.804 119.070 -0.027 0.000 2.529 344 H HA 0.136 4.692 4.556 -0.000 0.000 0.277 344 H C 0.731 176.056 175.328 -0.005 0.000 1.004 344 H CA 0.697 56.730 56.048 -0.024 0.000 1.167 344 H CB 0.661 30.397 29.762 -0.044 0.000 1.445 344 H HN 0.540 nan 8.280 nan 0.000 0.554 345 G N 1.866 110.711 108.800 0.075 0.000 2.273 345 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.280 345 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.280 345 G C 0.014 175.006 174.900 0.155 0.000 1.047 345 G CA -0.049 45.112 45.100 0.102 0.000 0.869 345 G HN 0.201 nan 8.290 nan 0.000 0.502 346 I N 0.680 121.353 120.570 0.171 0.000 2.365 346 I HA 0.304 4.474 4.170 -0.000 0.000 0.291 346 I C -1.814 174.538 176.117 0.390 0.000 1.004 346 I CA -3.325 58.125 61.300 0.250 0.000 1.311 346 I CB 0.826 38.933 38.000 0.178 0.000 1.401 346 I HN -0.117 nan 8.210 nan 0.000 0.491 347 P HA 0.179 nan 4.420 nan 0.000 0.267 347 P C -0.740 176.778 177.300 0.364 0.000 1.205 347 P CA 0.509 63.810 63.100 0.335 0.000 0.765 347 P CB 0.333 32.186 31.700 0.255 0.000 0.828 348 H N 0.592 119.717 119.070 0.091 0.000 3.046 348 H HA 0.576 5.132 4.556 -0.000 0.000 0.361 348 H C -1.808 173.563 175.328 0.072 0.000 1.235 348 H CA -0.824 55.225 56.048 0.002 0.000 1.146 348 H CB 1.534 31.245 29.762 -0.085 0.000 1.859 348 H HN 0.515 nan 8.280 nan 0.000 0.548 349 H N 1.551 120.607 119.070 -0.024 0.000 3.083 349 H HA 0.515 5.070 4.556 -0.000 0.000 0.339 349 H C -1.458 173.929 175.328 0.099 0.000 1.020 349 H CA -0.366 55.668 56.048 -0.022 0.000 1.360 349 H CB 0.944 30.672 29.762 -0.057 0.000 1.811 349 H HN 0.623 nan 8.280 nan 0.000 0.493 350 I N 4.554 124.908 120.570 -0.360 0.000 2.354 350 I HA 0.309 4.479 4.170 -0.000 0.000 0.292 350 I C -0.201 175.778 176.117 -0.229 0.000 0.989 350 I CA -0.432 60.756 61.300 -0.186 0.000 1.188 350 I CB 1.613 39.537 38.000 -0.126 0.000 1.342 350 I HN 0.590 nan 8.210 nan 0.000 0.457 351 N N 5.743 124.436 118.700 -0.012 0.000 2.405 351 N HA 0.592 5.332 4.740 -0.000 0.000 0.299 351 N C -0.901 174.615 175.510 0.010 0.000 1.075 351 N CA -0.907 52.169 53.050 0.044 0.000 0.884 351 N CB 1.611 40.223 38.487 0.209 0.000 1.194 351 N HN 0.450 nan 8.380 nan 0.000 0.491 352 R N 1.302 121.815 120.500 0.021 0.000 2.538 352 R HA 0.655 4.995 4.340 -0.000 0.000 0.292 352 R C -1.774 174.562 176.300 0.060 0.000 1.008 352 R CA -0.643 55.465 56.100 0.014 0.000 0.896 352 R CB 1.815 32.117 30.300 0.002 0.000 1.187 352 R HN 0.577 nan 8.270 nan 0.000 0.440 353 A N 2.474 125.316 122.820 0.038 0.000 2.411 353 A HA 0.639 4.958 4.320 -0.000 0.000 0.285 353 A C 0.488 177.999 177.584 -0.120 0.000 1.129 353 A CA 0.080 52.159 52.037 0.071 0.000 0.736 353 A CB 1.242 20.336 19.000 0.156 0.000 1.186 353 A HN 0.916 nan 8.150 nan 0.000 0.445 354 G N 2.141 110.771 108.800 -0.283 0.000 2.634 354 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.318 354 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.318 354 G C 1.089 175.898 174.900 -0.152 0.000 1.207 354 G CA 1.435 46.216 45.100 -0.531 0.000 0.987 354 G HN 2.372 nan 8.290 nan 0.000 0.547 358 G N 6.780 115.461 108.800 -0.198 0.000 2.719 358 G HA2 0.625 4.585 3.960 -0.000 0.000 0.298 358 G HA3 0.625 4.585 3.960 -0.000 0.000 0.298 358 G C -2.159 172.547 174.900 -0.323 0.000 1.411 358 G CA -0.520 44.391 45.100 -0.315 0.000 0.991 358 G HN 0.646 nan 8.290 nan 0.000 0.509 359 I N 1.300 121.616 120.570 -0.424 0.000 2.362 359 I HA 0.680 4.850 4.170 -0.000 0.000 0.289 359 I C -1.202 174.564 176.117 -0.585 0.000 0.994 359 I CA -1.100 59.956 61.300 -0.406 0.000 1.158 359 I CB 0.730 38.486 38.000 -0.407 0.000 1.315 359 I HN 0.304 nan 8.210 nan 0.000 0.451 360 F N 6.675 126.448 119.950 -0.296 0.000 2.443 360 F HA 0.396 4.922 4.527 -0.000 0.000 0.335 360 F C -0.212 175.392 175.800 -0.328 0.000 1.104 360 F CA -0.443 57.414 58.000 -0.238 0.000 1.013 360 F CB 1.159 40.120 39.000 -0.064 0.000 1.136 360 F HN 0.299 nan 8.300 nan 0.000 0.470 361 F N 1.802 121.872 119.950 0.200 0.000 2.669 361 F HA 0.304 4.831 4.527 -0.000 0.000 0.353 361 F C 0.536 176.430 175.800 0.157 0.000 1.192 361 F CA -0.069 58.047 58.000 0.193 0.000 1.317 361 F CB -0.079 39.057 39.000 0.227 0.000 1.652 361 F HN 0.314 nan 8.300 nan 0.000 0.608 362 T N -1.240 113.437 114.554 0.205 0.000 2.942 362 T HA 0.179 4.528 4.350 -0.000 0.000 0.327 362 T C 0.275 175.006 174.700 0.051 0.000 1.360 362 T CA -0.669 61.495 62.100 0.107 0.000 1.055 362 T CB 1.301 70.198 68.868 0.048 0.000 1.261 362 T HN 0.158 nan 8.240 nan 0.000 0.485 363 D N 1.758 122.160 120.400 0.003 0.000 2.348 363 D HA 0.085 4.725 4.640 -0.000 0.000 0.211 363 D C 0.380 176.624 176.300 -0.094 0.000 0.998 363 D CA 0.377 54.346 54.000 -0.052 0.000 0.873 363 D CB 0.476 41.252 40.800 -0.040 0.000 0.925 363 D HN 0.635 nan 8.370 nan 0.000 0.524 364 E N 1.983 122.109 120.200 -0.123 0.000 2.414 364 E HA 0.064 4.414 4.350 -0.000 0.000 0.263 364 E C -2.354 174.001 176.600 -0.409 0.000 1.000 364 E CA -1.378 54.903 56.400 -0.199 0.000 0.914 364 E CB 0.457 30.052 29.700 -0.175 0.000 0.948 364 E HN -0.007 nan 8.360 nan 0.000 0.444 365 P HA -0.012 nan 4.420 nan 0.000 0.271 365 P C -0.777 176.107 177.300 -0.693 0.000 1.233 365 P CA -0.017 62.616 63.100 -0.779 0.000 0.764 365 P CB 0.436 31.931 31.700 -0.341 0.000 0.825 366 V N 5.811 125.158 119.914 -0.945 0.000 2.338 366 V HA 0.045 4.165 4.120 -0.000 0.000 0.255 366 V C 1.422 177.326 176.094 -0.316 0.000 1.082 366 V CA 0.269 62.220 62.300 -0.583 0.000 0.951 366 V CB -0.527 30.749 31.823 -0.911 0.000 1.102 366 V HN 0.505 nan 8.190 nan 0.000 0.489 367 I N 1.320 121.755 120.570 -0.225 0.000 4.139 367 I HA 0.464 4.634 4.170 -0.000 0.000 0.335 367 I C 0.400 176.477 176.117 -0.066 0.000 1.327 367 I CA 0.104 61.332 61.300 -0.120 0.000 1.112 367 I CB 0.172 38.100 38.000 -0.121 0.000 1.058 367 I HN 0.642 nan 8.210 nan 0.000 0.396 368 N N -1.745 116.912 118.700 -0.071 0.000 3.179 368 N HA 0.105 4.845 4.740 -0.000 0.000 0.250 368 N C 0.130 175.663 175.510 0.039 0.000 1.507 368 N CA -0.876 52.184 53.050 0.016 0.000 0.883 368 N CB 0.214 38.710 38.487 0.016 0.000 1.435 368 N HN -0.106 nan 8.380 nan 0.000 0.532 369 Y N 0.250 120.518 120.300 -0.053 0.000 2.181 369 Y HA -0.098 4.452 4.550 -0.000 0.000 0.288 369 Y C 1.735 177.593 175.900 -0.070 0.000 1.146 369 Y CA 2.115 60.175 58.100 -0.067 0.000 1.164 369 Y CB -0.526 37.895 38.460 -0.066 0.000 0.982 369 Y HN 0.842 nan 8.280 nan 0.000 0.515 370 D N -0.556 119.773 120.400 -0.117 0.000 2.117 370 D HA -0.170 4.470 4.640 -0.000 0.000 0.197 370 D C 2.187 178.386 176.300 -0.169 0.000 0.987 370 D CA 1.537 55.426 54.000 -0.185 0.000 0.829 370 D CB -0.241 40.498 40.800 -0.101 0.000 0.961 370 D HN 0.364 nan 8.370 nan 0.000 0.460 371 A N 0.164 122.898 122.820 -0.144 0.000 1.929 371 A HA 0.163 4.483 4.320 -0.000 0.000 0.216 371 A C 2.300 179.771 177.584 -0.189 0.000 1.176 371 A CA 1.643 53.576 52.037 -0.174 0.000 0.628 371 A CB -0.829 18.044 19.000 -0.212 0.000 0.816 371 A HN 0.299 nan 8.150 nan 0.000 0.444 372 A N 0.038 122.761 122.820 -0.163 0.000 1.972 372 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 372 A C 1.990 179.698 177.584 0.206 0.000 1.169 372 A CA 1.602 53.616 52.037 -0.037 0.000 0.635 372 A CB -0.399 18.735 19.000 0.223 0.000 0.810 372 A HN 0.499 nan 8.150 nan 0.000 0.446 373 K N 0.599 120.987 120.400 -0.019 0.000 2.515 373 K HA -0.078 4.242 4.320 -0.000 0.000 0.196 373 K C 1.866 178.475 176.600 0.015 0.000 1.038 373 K CA 1.130 57.388 56.287 -0.048 0.000 0.967 373 K CB -0.129 32.156 32.500 -0.358 0.000 0.780 373 K HN 0.667 nan 8.250 nan 0.000 0.483 374 S N -0.196 115.500 115.700 -0.007 0.000 2.562 374 S HA 0.028 4.498 4.470 -0.000 0.000 0.221 374 S C 0.594 175.218 174.600 0.039 0.000 0.975 374 S CA -0.379 57.814 58.200 -0.010 0.000 0.918 374 S CB 0.076 63.245 63.200 -0.052 0.000 0.772 374 S HN -0.047 nan 8.310 nan 0.000 0.531 375 S N 3.860 119.625 115.700 0.110 0.000 2.552 375 S HA 0.113 4.583 4.470 -0.000 0.000 0.289 375 S C 0.109 174.779 174.600 0.117 0.000 1.304 375 S CA -0.376 57.920 58.200 0.159 0.000 1.063 375 S CB 0.079 63.391 63.200 0.187 0.000 0.848 375 S HN 0.597 nan 8.310 nan 0.000 0.499 376 N N 2.972 121.739 118.700 0.113 0.000 2.415 376 N HA 0.096 4.835 4.740 -0.000 0.000 0.250 376 N C 0.660 176.210 175.510 0.068 0.000 1.127 376 N CA -0.147 52.885 53.050 -0.030 0.000 0.945 376 N CB 0.059 38.352 38.487 -0.324 0.000 1.196 376 N HN 0.580 nan 8.380 nan 0.000 0.499 377 L N 2.477 123.745 121.223 0.074 0.000 2.291 377 L HA -0.100 4.240 4.340 -0.000 0.000 0.214 377 L C 1.963 178.918 176.870 0.143 0.000 1.120 377 L CA 0.762 55.683 54.840 0.135 0.000 0.799 377 L CB -0.109 42.021 42.059 0.118 0.000 0.925 377 L HN 0.557 nan 8.230 nan 0.000 0.446 378 Q N -0.767 119.078 119.800 0.074 0.000 2.137 378 Q HA -0.099 4.241 4.340 -0.000 0.000 0.198 378 Q C 2.159 178.264 176.000 0.176 0.000 0.960 378 Q CA 1.102 56.964 55.803 0.098 0.000 0.847 378 Q CB 0.040 28.813 28.738 0.058 0.000 0.915 378 Q HN 0.335 nan 8.270 nan 0.000 0.448 379 F N -0.245 119.638 119.950 -0.112 0.000 2.146 379 F HA -0.152 4.375 4.527 -0.000 0.000 0.298 379 F C 2.008 177.476 175.800 -0.552 0.000 1.096 379 F CA 0.400 58.201 58.000 -0.332 0.000 1.275 379 F CB -0.960 37.802 39.000 -0.396 0.000 1.008 379 F HN 0.056 nan 8.300 nan 0.000 0.480 380 F N 0.833 120.606 119.950 -0.295 0.000 2.069 380 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 380 F C 2.370 178.215 175.800 0.075 0.000 1.113 380 F CA 1.762 59.675 58.000 -0.144 0.000 1.214 380 F CB -0.686 38.361 39.000 0.079 0.000 0.978 380 F HN -0.084 nan 8.300 nan 0.000 0.474 381 A N 0.231 123.087 122.820 0.060 0.000 1.902 381 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 381 A C 2.391 179.957 177.584 -0.030 0.000 1.181 381 A CA 1.813 53.865 52.037 0.025 0.000 0.623 381 A CB -1.576 17.484 19.000 0.100 0.000 0.818 381 A HN 0.523 nan 8.150 nan 0.000 0.443 382 A N -1.235 121.565 122.820 -0.035 0.000 1.902 382 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 382 A C 2.148 179.675 177.584 -0.096 0.000 1.181 382 A CA 1.655 53.660 52.037 -0.052 0.000 0.623 382 A CB -0.848 18.124 19.000 -0.047 0.000 0.818 382 A HN 0.862 nan 8.150 nan 0.000 0.443 383 Y N -1.399 118.711 120.300 -0.317 0.000 2.181 383 Y HA -0.267 4.283 4.550 -0.000 0.000 0.288 383 Y C 2.189 177.924 175.900 -0.275 0.000 1.146 383 Y CA 2.045 59.954 58.100 -0.318 0.000 1.164 383 Y CB -0.637 37.572 38.460 -0.419 0.000 0.982 383 Y HN 0.382 nan 8.280 nan 0.000 0.515 384 Y N 1.195 121.137 120.300 -0.597 0.000 2.200 384 Y HA -0.194 4.356 4.550 -0.001 0.000 0.290 384 Y C 2.896 178.604 175.900 -0.320 0.000 1.137 384 Y CA 2.137 59.867 58.100 -0.616 0.000 1.163 384 Y CB -0.453 37.658 38.460 -0.582 0.000 0.988 384 Y HN 0.118 nan 8.280 nan 0.000 0.518 385 R N 0.652 121.118 120.500 -0.057 0.000 2.096 385 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 385 R C 0.976 177.207 176.300 -0.113 0.000 1.127 385 R CA 1.286 57.365 56.100 -0.033 0.000 0.968 385 R CB -0.253 30.053 30.300 0.010 0.000 0.861 385 R HN 0.282 nan 8.270 nan 0.000 0.440 389 E N 0.997 121.247 120.200 0.083 0.000 2.153 389 E HA -0.192 4.157 4.350 -0.000 0.000 0.194 389 E C 1.921 178.534 176.600 0.022 0.000 0.988 389 E CA 1.555 58.006 56.400 0.084 0.000 0.811 389 E CB 0.015 29.742 29.700 0.046 0.000 0.746 389 E HN 0.546 nan 8.360 nan 0.000 0.466 390 Q N -0.988 118.807 119.800 -0.007 0.000 2.444 390 Q HA 0.153 4.492 4.340 -0.000 0.000 0.206 390 Q C 0.708 176.702 176.000 -0.011 0.000 0.948 390 Q CA 0.774 56.563 55.803 -0.022 0.000 0.946 390 Q CB 0.701 29.416 28.738 -0.039 0.000 1.027 390 Q HN 0.376 nan 8.270 nan 0.000 0.513 391 G N 0.329 109.142 108.800 0.022 0.000 2.204 391 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.244 391 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.244 391 G C -0.255 174.741 174.900 0.159 0.000 1.062 391 G CA 0.150 45.250 45.100 0.000 0.000 0.798 391 G HN 0.165 nan 8.290 nan 0.000 0.496 392 V N 0.417 120.465 119.914 0.223 0.000 2.487 392 V HA 0.666 4.786 4.120 -0.000 0.000 0.298 392 V C -0.360 175.879 176.094 0.241 0.000 1.028 392 V CA -1.012 61.421 62.300 0.222 0.000 0.860 392 V CB 1.751 33.636 31.823 0.104 0.000 0.991 392 V HN 0.420 nan 8.190 nan 0.000 0.427 393 F N 6.600 126.604 119.950 0.090 0.000 2.313 393 F HA 0.663 5.190 4.527 -0.001 0.000 0.369 393 F C -0.490 175.329 175.800 0.032 0.000 1.109 393 F CA -0.889 57.071 58.000 -0.067 0.000 1.132 393 F CB 0.353 39.254 39.000 -0.166 0.000 1.291 393 F HN 0.309 nan 8.300 nan 0.000 0.496 394 L N 6.488 127.581 121.223 -0.216 0.000 2.358 394 L HA 0.540 4.880 4.340 -0.000 0.000 0.268 394 L C -2.194 174.490 176.870 -0.310 0.000 1.032 394 L CA -2.429 52.300 54.840 -0.184 0.000 0.805 394 L CB 1.215 43.253 42.059 -0.034 0.000 1.253 394 L HN 0.372 nan 8.230 nan 0.000 0.452 395 P HA 0.029 nan 4.420 nan 0.000 0.262 395 P C -2.330 174.933 177.300 -0.062 0.000 1.199 395 P CA -0.764 62.059 63.100 -0.462 0.000 0.763 395 P CB -0.060 31.443 31.700 -0.329 0.000 0.790 396 P HA 0.044 nan 4.420 nan 0.000 0.225 396 P C -0.547 176.641 177.300 -0.186 0.000 1.768 396 P CA 0.560 63.325 63.100 -0.560 0.000 0.943 396 P CB -0.019 31.124 31.700 -0.927 0.000 1.936 397 S N 0.615 116.294 115.700 -0.036 0.000 2.542 397 S HA 0.191 4.661 4.470 -0.000 0.000 0.276 397 S C 0.713 174.800 174.600 -0.855 0.000 1.148 397 S CA -0.414 57.642 58.200 -0.239 0.000 0.886 397 S CB 1.691 64.870 63.200 -0.037 0.000 1.109 397 S HN 0.003 nan 8.310 nan 0.000 0.458 398 Q N 2.625 121.564 119.800 -1.435 0.000 2.224 398 Q HA 0.187 4.527 4.340 -0.000 0.000 0.203 398 Q C -0.044 175.262 176.000 -1.157 0.000 0.970 398 Q CA 1.832 56.581 55.803 -1.756 0.000 0.865 398 Q CB -0.269 27.562 28.738 -1.511 0.000 0.922 398 Q HN 0.708 nan 8.270 nan 0.000 0.445 399 F N 1.518 121.289 119.950 -0.298 0.000 2.954 399 F HA 0.392 4.918 4.527 -0.001 0.000 0.300 399 F C -0.108 175.630 175.800 -0.104 0.000 1.206 399 F CA -0.166 57.765 58.000 -0.116 0.000 1.345 399 F CB 0.061 39.059 39.000 -0.004 0.000 1.206 399 F HN -0.137 nan 8.300 nan 0.000 0.537 400 E N -0.432 119.694 120.200 -0.124 0.000 2.372 400 E HA 0.460 4.810 4.350 -0.000 0.000 0.279 400 E C -0.136 176.321 176.600 -0.239 0.000 0.946 400 E CA -0.611 55.754 56.400 -0.059 0.000 0.769 400 E CB 2.308 32.082 29.700 0.123 0.000 1.230 400 E HN 0.259 nan 8.360 nan 0.000 0.442 401 G N 0.617 109.232 108.800 -0.308 0.000 2.511 401 G HA2 0.542 4.502 3.960 -0.000 0.000 0.316 401 G HA3 0.542 4.502 3.960 -0.000 0.000 0.316 401 G C -0.617 173.952 174.900 -0.551 0.000 1.210 401 G CA -0.526 44.318 45.100 -0.427 0.000 0.969 401 G HN 0.179 nan 8.290 nan 0.000 0.492 402 L N -0.295 120.649 121.223 -0.465 0.000 2.350 402 L HA 0.414 4.753 4.340 -0.000 0.000 0.275 402 L C -0.585 175.994 176.870 -0.485 0.000 1.099 402 L CA -0.012 54.609 54.840 -0.365 0.000 0.808 402 L CB 0.947 42.828 42.059 -0.298 0.000 1.149 402 L HN 0.273 nan 8.230 nan 0.000 0.442 403 F N 3.461 123.368 119.950 -0.073 0.000 2.415 403 F HA 0.507 5.034 4.527 -0.000 0.000 0.348 403 F C 0.104 175.806 175.800 -0.163 0.000 1.119 403 F CA -0.448 57.473 58.000 -0.131 0.000 1.069 403 F CB 0.879 39.790 39.000 -0.148 0.000 1.124 403 F HN 0.179 nan 8.300 nan 0.000 0.472 404 L N 2.537 123.682 121.223 -0.130 0.000 2.375 404 L HA 0.626 4.966 4.340 -0.000 0.000 0.268 404 L C 0.209 176.952 176.870 -0.212 0.000 1.058 404 L CA -0.581 54.066 54.840 -0.321 0.000 0.803 404 L CB 1.882 43.793 42.059 -0.247 0.000 1.212 404 L HN 0.731 nan 8.230 nan 0.000 0.451 405 S N -2.017 113.722 115.700 0.064 0.000 2.677 405 S HA 0.294 4.764 4.470 -0.000 0.000 0.304 405 S C 0.666 175.563 174.600 0.494 0.000 1.108 405 S CA 0.013 58.380 58.200 0.277 0.000 0.944 405 S CB 1.642 65.016 63.200 0.290 0.000 1.127 405 S HN 0.735 nan 8.310 nan 0.000 0.511 406 T N -1.489 113.327 114.554 0.438 0.000 3.113 406 T HA -0.028 4.322 4.350 -0.000 0.000 0.263 406 T C 1.304 176.118 174.700 0.189 0.000 1.143 406 T CA 0.982 63.248 62.100 0.276 0.000 1.090 406 T CB -0.942 68.085 68.868 0.265 0.000 0.922 406 T HN 1.240 nan 8.240 nan 0.000 0.521 407 V N -2.607 117.426 119.914 0.199 0.000 3.376 407 V HA 0.439 4.558 4.120 -0.000 0.000 0.313 407 V C 0.070 176.193 176.094 0.048 0.000 1.393 407 V CA -0.963 61.394 62.300 0.096 0.000 1.125 407 V CB -1.403 30.452 31.823 0.053 0.000 1.037 407 V HN 0.324 nan 8.190 nan 0.000 0.440 408 H N 2.733 121.835 119.070 0.053 0.000 2.819 408 H HA 0.562 5.118 4.556 -0.001 0.000 0.303 408 H C 1.045 176.402 175.328 0.049 0.000 1.058 408 H CA 0.907 56.972 56.048 0.029 0.000 1.471 408 H CB 0.937 30.721 29.762 0.036 0.000 1.480 408 H HN 0.660 nan 8.280 nan 0.000 0.517 409 S N 1.803 117.564 115.700 0.101 0.000 2.655 409 S HA 0.069 4.539 4.470 -0.000 0.000 0.265 409 S C 0.863 175.523 174.600 0.101 0.000 1.240 409 S CA -0.802 57.447 58.200 0.080 0.000 0.986 409 S CB 1.090 64.315 63.200 0.042 0.000 0.985 409 S HN 0.568 nan 8.310 nan 0.000 0.562 410 D N 0.984 121.428 120.400 0.074 0.000 2.144 410 D HA 0.022 4.662 4.640 -0.000 0.000 0.200 410 D C 2.172 178.514 176.300 0.070 0.000 0.978 410 D CA 1.630 55.673 54.000 0.071 0.000 0.833 410 D CB -0.840 39.990 40.800 0.049 0.000 0.961 410 D HN 0.675 nan 8.370 nan 0.000 0.470 411 A N 1.040 123.893 122.820 0.056 0.000 1.933 411 A HA -0.196 4.123 4.320 -0.000 0.000 0.218 411 A C 1.810 179.433 177.584 0.066 0.000 1.175 411 A CA 1.638 53.704 52.037 0.049 0.000 0.628 411 A CB -0.347 18.673 19.000 0.033 0.000 0.814 411 A HN 0.044 nan 8.150 nan 0.000 0.444 412 D N 0.114 120.563 120.400 0.082 0.000 2.097 412 D HA -0.124 4.515 4.640 -0.000 0.000 0.195 412 D C 1.939 178.354 176.300 0.192 0.000 0.989 412 D CA 1.054 55.125 54.000 0.117 0.000 0.827 412 D CB -0.267 40.599 40.800 0.110 0.000 0.966 412 D HN 0.341 nan 8.370 nan 0.000 0.456 413 I N 1.321 122.007 120.570 0.193 0.000 2.179 413 I HA -0.197 3.972 4.170 -0.000 0.000 0.242 413 I C 2.188 178.372 176.117 0.113 0.000 1.088 413 I CA 1.173 62.583 61.300 0.183 0.000 1.357 413 I CB -1.006 37.079 38.000 0.142 0.000 1.051 413 I HN 0.091 nan 8.210 nan 0.000 0.409 414 E N 0.968 121.218 120.200 0.084 0.000 2.077 414 E HA -0.159 4.190 4.350 -0.000 0.000 0.193 414 E C 2.342 178.975 176.600 0.054 0.000 0.989 414 E CA 1.386 57.819 56.400 0.056 0.000 0.800 414 E CB -0.158 29.569 29.700 0.044 0.000 0.746 414 E HN 0.486 nan 8.360 nan 0.000 0.452 415 A N 0.707 123.566 122.820 0.065 0.000 1.972 415 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 415 A C 2.319 179.944 177.584 0.067 0.000 1.169 415 A CA 1.753 53.825 52.037 0.057 0.000 0.635 415 A CB -0.730 18.303 19.000 0.055 0.000 0.810 415 A HN 0.175 nan 8.150 nan 0.000 0.446 416 T N 0.288 114.905 114.554 0.105 0.000 2.777 416 T HA -0.070 4.280 4.350 -0.000 0.000 0.266 416 T C 1.780 176.497 174.700 0.028 0.000 1.040 416 T CA 1.501 63.656 62.100 0.092 0.000 1.141 416 T CB -0.385 68.569 68.868 0.143 0.000 0.868 416 T HN 0.430 nan 8.240 nan 0.000 0.444 417 I N 1.453 122.040 120.570 0.028 0.000 2.226 417 I HA -0.175 3.995 4.170 -0.000 0.000 0.245 417 I C 2.863 178.995 176.117 0.024 0.000 1.100 417 I CA 1.144 62.454 61.300 0.016 0.000 1.374 417 I CB -0.418 37.591 38.000 0.015 0.000 1.057 417 I HN 0.184 nan 8.210 nan 0.000 0.413 418 A N 0.536 123.371 122.820 0.026 0.000 1.930 418 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 418 A C 2.517 180.109 177.584 0.015 0.000 1.175 418 A CA 1.713 53.764 52.037 0.022 0.000 0.627 418 A CB -0.757 18.255 19.000 0.020 0.000 0.815 418 A HN 0.424 nan 8.150 nan 0.000 0.443 419 A N -0.127 122.699 122.820 0.009 0.000 1.898 419 A HA 0.223 4.542 4.320 -0.000 0.000 0.216 419 A C 2.485 180.060 177.584 -0.015 0.000 1.181 419 A CA 1.849 53.879 52.037 -0.012 0.000 0.620 419 A CB -0.959 18.033 19.000 -0.015 0.000 0.819 419 A HN 1.010 nan 8.150 nan 0.000 0.442 420 A N 0.120 122.951 122.820 0.019 0.000 1.933 420 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 420 A C 1.938 179.569 177.584 0.078 0.000 1.175 420 A CA 2.109 54.203 52.037 0.095 0.000 0.628 420 A CB -0.491 18.584 19.000 0.126 0.000 0.814 420 A HN 0.655 nan 8.150 nan 0.000 0.444 421 E N 0.484 120.715 120.200 0.051 0.000 2.058 421 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 421 E C 1.635 178.219 176.600 -0.027 0.000 0.997 421 E CA 1.854 58.295 56.400 0.069 0.000 0.801 421 E CB -0.480 29.273 29.700 0.087 0.000 0.746 421 E HN 0.618 nan 8.360 nan 0.000 0.450 422 I N 1.105 121.652 120.570 -0.037 0.000 2.179 422 I HA -0.154 4.016 4.170 -0.000 0.000 0.242 422 I C 1.675 177.719 176.117 -0.122 0.000 1.088 422 I CA 0.613 61.863 61.300 -0.083 0.000 1.357 422 I CB -0.616 37.353 38.000 -0.052 0.000 1.051 422 I HN 0.220 nan 8.210 nan 0.000 0.409 426 K N 1.427 121.675 120.400 -0.254 0.000 2.374 426 K HA 0.477 4.797 4.320 -0.000 0.000 0.196 426 K C 1.318 177.802 176.600 -0.194 0.000 1.023 426 K CA 0.247 56.431 56.287 -0.172 0.000 1.103 426 K CB -0.014 32.408 32.500 -0.129 0.000 0.848 426 K HN 0.387 nan 8.250 nan 0.000 0.528 427 L N 0.427 121.472 121.223 -0.295 0.000 2.044 427 L HA -0.049 4.290 4.340 -0.000 0.000 0.205 427 L C 1.061 177.694 176.870 -0.396 0.000 1.075 427 L CA 1.237 55.794 54.840 -0.472 0.000 0.747 427 L CB -0.140 41.397 42.059 -0.871 0.000 0.903 427 L HN 0.041 nan 8.230 nan 0.000 0.435 428 K N 0.000 120.232 120.400 -0.280 0.000 2.780 428 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 428 K CA 0.000 56.228 56.287 -0.097 0.000 0.838 428 K CB 0.000 32.475 32.500 -0.042 0.000 1.064 428 K HN 0.000 nan 8.250 nan 0.000 0.543