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 2wgf_1_B DATA FIRST_RESID 2 DATA SEQUENCE SQPSTANGGF PSVVVTAVTA TTSISPDIES TWKGLLAGES GIHALEDEFV DATA SEQUENCE TKWDLAVKIG GHLKDPVDSH MGRLDMRRMS YVQRMGKLLG GQLWESAGSP DATA SEQUENCE EVDPDRFAVV VGTGLGGAER IVESYDLMNA GGPRKVSPLA VQMIMPNGAA DATA SEQUENCE AVIGLQLGAR AGVMTPVSAQ SSGSEAIAHA WRQIVMGDAD VAVCGGVEGP DATA SEQUENCE IEALPIAAFS MMRAMSTRND EPERASRPFD KDRDGFVFGE AGALMLIETE DATA SEQUENCE EHAKARGAKP LARLLGAGIT SDAFHMVAPA ADGVRAGRAM TRSLELAGLS DATA SEQUENCE PADIDHVNAH GTATPIGDAA EANAIRVAGC DQAAVYAPKS ALGHSIGAVG DATA SEQUENCE ALESVLTVLT LRDGVIPPTL NYETPDPEID LDVVAGEPRY GDYRYAVNNS DATA SEQUENCE FGFGGHNVAL AFGRY 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.567 174.600 -0.054 0.000 1.055 2 S CA 0.000 58.179 58.200 -0.035 0.000 1.107 2 S CB 0.000 63.179 63.200 -0.035 0.000 0.593 3 Q N 3.211 122.983 119.800 -0.048 0.000 2.414 3 Q HA 0.285 4.627 4.340 0.003 0.000 0.288 3 Q C -2.448 173.469 176.000 -0.139 0.000 1.086 3 Q CA -0.630 55.133 55.803 -0.067 0.000 0.943 3 Q CB -0.538 28.186 28.738 -0.024 0.000 1.282 3 Q HN 0.317 nan 8.270 nan 0.000 0.438 4 P HA 0.058 nan 4.420 nan 0.000 0.268 4 P C -0.924 176.056 177.300 -0.534 0.000 1.204 4 P CA -0.042 62.727 63.100 -0.552 0.000 0.768 4 P CB 1.019 32.115 31.700 -1.007 0.000 0.842 5 S N 0.394 115.875 115.700 -0.364 0.000 2.704 5 S HA 0.440 4.912 4.470 0.003 0.000 0.296 5 S C 0.860 175.495 174.600 0.058 0.000 1.138 5 S CA -0.424 57.746 58.200 -0.050 0.000 0.875 5 S CB 0.921 64.132 63.200 0.019 0.000 1.151 5 S HN 0.264 nan 8.310 nan 0.000 0.500 6 T N 1.180 115.909 114.554 0.291 0.000 2.942 6 T HA 0.140 4.492 4.350 0.003 0.000 0.265 6 T C 2.048 176.839 174.700 0.152 0.000 1.062 6 T CA 1.188 63.468 62.100 0.300 0.000 1.139 6 T CB -0.685 68.387 68.868 0.340 0.000 0.883 6 T HN 0.811 nan 8.240 nan 0.000 0.468 7 A N 3.180 126.059 122.820 0.098 0.000 1.897 7 A HA -0.093 4.229 4.320 0.003 0.000 0.215 7 A C 2.082 179.687 177.584 0.036 0.000 1.181 7 A CA 1.555 53.630 52.037 0.062 0.000 0.620 7 A CB -0.533 18.487 19.000 0.033 0.000 0.821 7 A HN 0.599 nan 8.150 nan 0.000 0.443 8 N N -1.213 117.492 118.700 0.009 0.000 2.461 8 N HA 0.234 4.976 4.740 0.003 0.000 0.188 8 N C 1.008 176.503 175.510 -0.025 0.000 1.134 8 N CA 1.416 54.457 53.050 -0.015 0.000 0.878 8 N CB -0.061 38.404 38.487 -0.037 0.000 0.972 8 N HN 0.790 nan 8.380 nan 0.000 0.456 9 G N -1.494 107.299 108.800 -0.012 0.000 2.195 9 G HA2 -0.234 3.728 3.960 0.003 0.000 0.224 9 G HA3 -0.234 3.728 3.960 0.003 0.000 0.224 9 G C 1.106 175.971 174.900 -0.058 0.000 0.990 9 G CA 0.261 45.356 45.100 -0.009 0.000 0.639 9 G HN 0.651 nan 8.290 nan 0.000 0.514 10 G N -0.194 108.503 108.800 -0.172 0.000 2.469 10 G HA2 0.184 4.146 3.960 0.003 0.000 0.220 10 G HA3 0.184 4.146 3.960 0.003 0.000 0.220 10 G C 0.571 175.254 174.900 -0.362 0.000 1.136 10 G CA 1.290 46.173 45.100 -0.361 0.000 0.759 10 G HN 0.502 nan 8.290 nan 0.000 0.562 11 F N 0.329 120.295 119.950 0.026 0.000 2.538 11 F HA 0.528 5.057 4.527 0.003 0.000 0.325 11 F C -2.099 173.707 175.800 0.009 0.000 1.066 11 F CA -3.343 54.653 58.000 -0.006 0.000 0.946 11 F CB 1.390 40.410 39.000 0.033 0.000 1.199 11 F HN -0.225 nan 8.300 nan 0.000 0.473 12 P HA 0.064 nan 4.420 nan 0.000 0.269 12 P C -0.488 176.902 177.300 0.149 0.000 1.215 12 P CA -0.235 62.930 63.100 0.110 0.000 0.780 12 P CB 0.663 32.383 31.700 0.034 0.000 0.898 13 S N 1.203 116.989 115.700 0.143 0.000 2.548 13 S HA 0.342 4.814 4.470 0.003 0.000 0.277 13 S C -0.478 174.217 174.600 0.158 0.000 1.315 13 S CA -0.438 57.865 58.200 0.173 0.000 1.050 13 S CB -0.192 63.105 63.200 0.161 0.000 0.918 13 S HN 0.168 nan 8.310 nan 0.000 0.497 14 V N 5.939 125.972 119.914 0.199 0.000 2.588 14 V HA 0.580 4.702 4.120 0.003 0.000 0.304 14 V C -0.250 175.940 176.094 0.160 0.000 1.042 14 V CA -0.745 61.663 62.300 0.181 0.000 0.877 14 V CB 1.642 33.627 31.823 0.271 0.000 0.996 14 V HN 0.823 nan 8.190 nan 0.000 0.425 15 V N 2.723 122.702 119.914 0.108 0.000 2.769 15 V HA 0.759 4.881 4.120 0.003 0.000 0.312 15 V C -0.365 175.765 176.094 0.059 0.000 1.061 15 V CA -0.880 61.459 62.300 0.065 0.000 0.931 15 V CB 1.878 33.676 31.823 -0.041 0.000 1.010 15 V HN 0.466 nan 8.190 nan 0.000 0.433 16 V N 3.916 123.870 119.914 0.066 0.000 2.432 16 V HA 0.381 4.503 4.120 0.003 0.000 0.271 16 V C 1.359 177.442 176.094 -0.019 0.000 1.046 16 V CA 0.699 63.032 62.300 0.056 0.000 0.945 16 V CB 0.975 32.857 31.823 0.099 0.000 0.992 16 V HN 1.188 nan 8.190 nan 0.000 0.471 17 T N 0.703 115.242 114.554 -0.025 0.000 3.003 17 T HA 0.655 5.006 4.350 0.003 0.000 0.261 17 T C 0.266 174.927 174.700 -0.065 0.000 1.003 17 T CA 0.443 62.504 62.100 -0.066 0.000 0.917 17 T CB 0.609 69.435 68.868 -0.070 0.000 1.084 17 T HN 1.053 nan 8.240 nan 0.000 0.522 18 A N 0.850 123.646 122.820 -0.039 0.000 2.599 18 A HA 0.704 5.025 4.320 0.003 0.000 0.294 18 A C -1.187 176.387 177.584 -0.017 0.000 1.055 18 A CA -0.550 51.463 52.037 -0.039 0.000 0.683 18 A CB 1.287 20.261 19.000 -0.044 0.000 1.278 18 A HN 1.040 nan 8.150 nan 0.000 0.412 19 V N -1.792 118.105 119.914 -0.029 0.000 3.078 19 V HA 1.006 5.127 4.120 0.003 0.000 0.311 19 V C -0.445 175.641 176.094 -0.013 0.000 1.138 19 V CA -0.263 62.022 62.300 -0.025 0.000 1.007 19 V CB 1.518 33.299 31.823 -0.070 0.000 1.045 19 V HN 1.622 nan 8.190 nan 0.000 0.432 20 T N 1.219 115.773 114.554 0.000 0.000 3.041 20 T HA 0.840 5.192 4.350 0.003 0.000 0.321 20 T C -1.013 173.693 174.700 0.011 0.000 1.184 20 T CA 0.391 62.496 62.100 0.008 0.000 1.050 20 T CB 1.386 70.268 68.868 0.023 0.000 1.159 20 T HN 2.155 nan 8.240 nan 0.000 0.469 21 A N 2.315 125.144 122.820 0.014 0.000 2.566 21 A HA 0.763 5.085 4.320 0.003 0.000 0.297 21 A C -0.646 176.959 177.584 0.035 0.000 1.059 21 A CA -0.646 51.406 52.037 0.025 0.000 0.691 21 A CB 2.059 21.074 19.000 0.026 0.000 1.282 21 A HN 0.755 nan 8.150 nan 0.000 0.401 22 T N 1.032 115.612 114.554 0.044 0.000 2.824 22 T HA 0.789 5.141 4.350 0.003 0.000 0.282 22 T C 0.034 174.781 174.700 0.078 0.000 0.993 22 T CA 0.524 62.659 62.100 0.059 0.000 0.967 22 T CB 0.891 69.792 68.868 0.055 0.000 0.960 22 T HN 1.778 nan 8.240 nan 0.000 0.441 23 T N 0.108 114.716 114.554 0.090 0.000 2.669 23 T HA 0.449 4.800 4.350 0.003 0.000 0.283 23 T C 1.398 176.168 174.700 0.117 0.000 1.019 23 T CA 0.079 62.238 62.100 0.099 0.000 1.039 23 T CB 0.768 69.691 68.868 0.092 0.000 1.374 23 T HN 0.481 nan 8.240 nan 0.000 0.523 24 S N -0.547 115.225 115.700 0.121 0.000 2.522 24 S HA 0.134 4.605 4.470 0.003 0.000 0.227 24 S C 1.675 176.357 174.600 0.138 0.000 0.986 24 S CA 0.196 58.486 58.200 0.150 0.000 0.929 24 S CB -0.809 62.479 63.200 0.147 0.000 0.769 24 S HN 0.595 nan 8.310 nan 0.000 0.529 25 I N 0.066 120.704 120.570 0.112 0.000 2.685 25 I HA 0.187 4.358 4.170 0.003 0.000 0.251 25 I C 1.131 177.300 176.117 0.088 0.000 1.102 25 I CA 0.371 61.729 61.300 0.097 0.000 1.442 25 I CB 0.267 38.320 38.000 0.087 0.000 1.194 25 I HN 0.281 nan 8.210 nan 0.000 0.448 26 S N -0.843 114.911 115.700 0.090 0.000 2.579 26 S HA 0.416 4.888 4.470 0.003 0.000 0.272 26 S C -2.339 172.311 174.600 0.083 0.000 1.141 26 S CA -1.110 57.139 58.200 0.082 0.000 0.843 26 S CB 1.790 65.037 63.200 0.077 0.000 1.122 26 S HN -0.211 nan 8.310 nan 0.000 0.468 27 P HA 0.229 nan 4.420 nan 0.000 0.249 27 P C -0.720 176.608 177.300 0.047 0.000 1.229 27 P CA 0.393 63.534 63.100 0.067 0.000 0.788 27 P CB -0.004 31.744 31.700 0.080 0.000 1.072 28 D N 0.043 120.477 120.400 0.056 0.000 2.492 28 D HA 0.112 4.754 4.640 0.003 0.000 0.248 28 D C 0.756 177.094 176.300 0.063 0.000 1.101 28 D CA -0.687 53.343 54.000 0.050 0.000 0.840 28 D CB 1.346 42.177 40.800 0.051 0.000 1.209 28 D HN -0.257 nan 8.370 nan 0.000 0.524 29 I N 3.631 124.231 120.570 0.050 0.000 2.361 29 I HA -0.151 4.020 4.170 0.003 0.000 0.251 29 I C 1.628 177.799 176.117 0.091 0.000 1.133 29 I CA 1.545 62.878 61.300 0.055 0.000 1.413 29 I CB 0.065 38.070 38.000 0.009 0.000 1.073 29 I HN 0.408 nan 8.210 nan 0.000 0.424 30 E N -0.084 120.164 120.200 0.080 0.000 2.216 30 E HA -0.040 4.312 4.350 0.003 0.000 0.192 30 E C 2.250 178.944 176.600 0.156 0.000 0.988 30 E CA 1.025 57.497 56.400 0.120 0.000 0.834 30 E CB -0.111 29.635 29.700 0.077 0.000 0.772 30 E HN 0.463 nan 8.360 nan 0.000 0.479 31 S N 0.169 115.938 115.700 0.115 0.000 2.458 31 S HA -0.017 4.455 4.470 0.003 0.000 0.223 31 S C 1.982 176.646 174.600 0.108 0.000 1.019 31 S CA 0.692 58.951 58.200 0.098 0.000 0.937 31 S CB 0.087 63.330 63.200 0.072 0.000 0.788 31 S HN 0.228 nan 8.310 nan 0.000 0.511 32 T N 1.281 115.915 114.554 0.134 0.000 2.777 32 T HA -0.104 4.248 4.350 0.003 0.000 0.266 32 T C 1.342 176.158 174.700 0.192 0.000 1.040 32 T CA 0.741 62.928 62.100 0.144 0.000 1.141 32 T CB -0.261 68.696 68.868 0.148 0.000 0.868 32 T HN 0.594 nan 8.240 nan 0.000 0.444 33 W N 2.327 123.630 121.300 0.006 0.000 2.355 33 W HA -0.144 4.518 4.660 0.003 0.000 0.309 33 W C 1.963 178.472 176.519 -0.017 0.000 1.206 33 W CA 1.070 58.408 57.345 -0.012 0.000 1.284 33 W CB -0.097 29.351 29.460 -0.020 0.000 1.145 33 W HN 0.239 nan 8.180 nan 0.000 0.502 34 K N -0.295 120.121 120.400 0.026 0.000 2.063 34 K HA -0.149 4.173 4.320 0.003 0.000 0.208 34 K C 2.288 178.821 176.600 -0.111 0.000 1.048 34 K CA 1.626 57.861 56.287 -0.086 0.000 0.928 34 K CB -0.902 31.606 32.500 0.014 0.000 0.713 34 K HN 0.225 nan 8.250 nan 0.000 0.442 35 G N 1.153 109.928 108.800 -0.043 0.000 2.403 35 G HA2 -0.186 3.776 3.960 0.003 0.000 0.216 35 G HA3 -0.186 3.776 3.960 0.003 0.000 0.216 35 G C 1.479 176.340 174.900 -0.066 0.000 1.154 35 G CA 0.292 45.372 45.100 -0.033 0.000 0.784 35 G HN 0.081 nan 8.290 nan 0.000 0.538 36 L N -0.075 121.096 121.223 -0.086 0.000 2.079 36 L HA -0.030 4.312 4.340 0.003 0.000 0.210 36 L C 2.783 179.502 176.870 -0.251 0.000 1.081 36 L CA 0.686 55.457 54.840 -0.115 0.000 0.752 36 L CB -0.241 41.770 42.059 -0.079 0.000 0.896 36 L HN 0.218 nan 8.230 nan 0.000 0.433 37 L N -1.015 119.975 121.223 -0.388 0.000 2.179 37 L HA -0.036 4.306 4.340 0.003 0.000 0.208 37 L C 2.631 179.367 176.870 -0.224 0.000 1.096 37 L CA 0.690 55.279 54.840 -0.417 0.000 0.779 37 L CB -0.599 41.127 42.059 -0.556 0.000 0.922 37 L HN 0.157 nan 8.230 nan 0.000 0.443 38 A N 0.031 122.759 122.820 -0.153 0.000 2.168 38 A HA 0.212 4.534 4.320 0.003 0.000 0.215 38 A C 1.640 179.189 177.584 -0.057 0.000 1.152 38 A CA 0.884 52.871 52.037 -0.082 0.000 0.716 38 A CB -0.542 18.426 19.000 -0.053 0.000 0.794 38 A HN 0.531 nan 8.150 nan 0.000 0.465 39 G N -0.522 108.238 108.800 -0.066 0.000 2.207 39 G HA2 -0.169 3.793 3.960 0.003 0.000 0.216 39 G HA3 -0.169 3.793 3.960 0.003 0.000 0.216 39 G C -0.359 174.540 174.900 -0.002 0.000 1.053 39 G CA 0.110 45.193 45.100 -0.029 0.000 0.764 39 G HN 0.587 nan 8.290 nan 0.000 0.495 40 E N 0.332 120.531 120.200 -0.002 0.000 2.283 40 E HA 0.512 4.864 4.350 0.003 0.000 0.278 40 E C 0.178 176.801 176.600 0.039 0.000 1.027 40 E CA -0.098 56.315 56.400 0.021 0.000 0.843 40 E CB 1.398 31.111 29.700 0.022 0.000 1.062 40 E HN 0.172 nan 8.360 nan 0.000 0.401 41 S N 0.983 116.711 115.700 0.047 0.000 2.578 41 S HA 0.451 4.923 4.470 0.003 0.000 0.283 41 S C 0.666 175.310 174.600 0.073 0.000 1.195 41 S CA -0.422 57.812 58.200 0.056 0.000 1.050 41 S CB 1.201 64.432 63.200 0.051 0.000 1.012 41 S HN 0.629 nan 8.310 nan 0.000 0.511 42 G N 3.066 111.914 108.800 0.079 0.000 3.233 42 G HA2 0.238 4.200 3.960 0.003 0.000 0.234 42 G HA3 0.238 4.200 3.960 0.003 0.000 0.234 42 G C 0.093 175.069 174.900 0.127 0.000 1.137 42 G CA -0.163 45.004 45.100 0.111 0.000 0.763 42 G HN 0.578 nan 8.290 nan 0.000 0.549 43 I N 1.649 122.261 120.570 0.070 0.000 2.428 43 I HA 0.465 4.637 4.170 0.003 0.000 0.296 43 I C 0.279 176.419 176.117 0.039 0.000 0.985 43 I CA -0.904 60.385 61.300 -0.019 0.000 1.260 43 I CB 0.799 38.777 38.000 -0.036 0.000 1.389 43 I HN 0.407 nan 8.210 nan 0.000 0.484 44 H N 2.455 121.556 119.070 0.051 0.000 2.947 44 H HA 0.833 5.390 4.556 0.003 0.000 0.290 44 H C -0.748 174.609 175.328 0.049 0.000 1.430 44 H CA -1.125 54.953 56.048 0.051 0.000 1.189 44 H CB 0.745 30.545 29.762 0.064 0.000 1.875 44 H HN 0.608 nan 8.280 nan 0.000 0.568 45 A N 1.000 123.979 122.820 0.264 0.000 2.401 45 A HA 0.407 4.729 4.320 0.003 0.000 0.259 45 A C -0.220 177.548 177.584 0.306 0.000 1.103 45 A CA -0.667 51.480 52.037 0.184 0.000 0.789 45 A CB -0.266 18.807 19.000 0.122 0.000 1.035 45 A HN 0.575 nan 8.150 nan 0.000 0.491 46 L N 2.644 123.966 121.223 0.164 0.000 2.369 46 L HA 0.185 4.527 4.340 0.003 0.000 0.279 46 L C 0.663 177.587 176.870 0.089 0.000 1.108 46 L CA -0.110 54.838 54.840 0.180 0.000 0.852 46 L CB 0.662 42.796 42.059 0.124 0.000 1.169 46 L HN 0.797 nan 8.230 nan 0.000 0.452 47 E N 1.093 121.336 120.200 0.072 0.000 2.498 47 E HA 0.067 4.419 4.350 0.003 0.000 0.203 47 E C -0.328 176.195 176.600 -0.128 0.000 1.013 47 E CA -0.063 56.322 56.400 -0.024 0.000 0.927 47 E CB 0.313 30.004 29.700 -0.016 0.000 1.012 47 E HN 0.684 nan 8.360 nan 0.000 0.482 48 D N 1.789 122.046 120.400 -0.239 0.000 2.472 48 D HA -0.047 4.595 4.640 0.003 0.000 0.237 48 D C 1.178 177.189 176.300 -0.482 0.000 1.141 48 D CA 0.274 53.984 54.000 -0.484 0.000 0.875 48 D CB 0.871 41.026 40.800 -1.076 0.000 1.192 48 D HN -0.202 nan 8.370 nan 0.000 0.450 49 E N 1.029 121.044 120.200 -0.309 0.000 2.274 49 E HA -0.084 4.267 4.350 0.003 0.000 0.194 49 E C 1.760 178.295 176.600 -0.108 0.000 0.996 49 E CA 0.284 56.583 56.400 -0.167 0.000 0.840 49 E CB -0.166 29.482 29.700 -0.087 0.000 0.772 49 E HN 0.647 nan 8.360 nan 0.000 0.491 50 F N -0.715 119.269 119.950 0.056 0.000 2.408 50 F HA -0.067 4.461 4.527 0.002 0.000 0.300 50 F C 1.832 177.735 175.800 0.172 0.000 1.090 50 F CA 0.207 58.271 58.000 0.106 0.000 1.427 50 F CB -1.156 38.008 39.000 0.273 0.000 1.070 50 F HN -0.213 nan 8.300 nan 0.000 0.549 51 V N 1.375 121.325 119.914 0.061 0.000 2.270 51 V HA -0.275 3.847 4.120 0.003 0.000 0.245 51 V C 2.761 178.943 176.094 0.147 0.000 1.043 51 V CA 2.653 65.060 62.300 0.179 0.000 1.014 51 V CB -1.233 30.581 31.823 -0.015 0.000 0.645 51 V HN 0.619 nan 8.190 nan 0.000 0.447 52 T N -1.588 112.989 114.554 0.037 0.000 2.812 52 T HA -0.232 4.120 4.350 0.003 0.000 0.264 52 T C 1.884 176.583 174.700 -0.002 0.000 1.042 52 T CA 1.548 63.660 62.100 0.019 0.000 1.140 52 T CB -0.319 68.537 68.868 -0.019 0.000 0.870 52 T HN 0.384 nan 8.240 nan 0.000 0.445 53 K N 0.288 120.646 120.400 -0.072 0.000 2.059 53 K HA -0.150 4.172 4.320 0.003 0.000 0.212 53 K C 1.573 178.011 176.600 -0.269 0.000 1.050 53 K CA 1.826 57.959 56.287 -0.256 0.000 0.927 53 K CB -0.296 31.938 32.500 -0.444 0.000 0.714 53 K HN 0.618 nan 8.250 nan 0.000 0.447 54 W N 1.100 122.471 121.300 0.118 0.000 3.290 54 W HA 0.080 4.738 4.660 -0.003 0.000 0.287 54 W C -0.252 176.316 176.519 0.081 0.000 1.288 54 W CA -0.582 56.822 57.345 0.098 0.000 1.725 54 W CB 0.231 29.760 29.460 0.114 0.000 1.103 54 W HN 0.212 nan 8.180 nan 0.000 0.670 55 D N 1.791 122.333 120.400 0.236 0.000 3.091 55 D HA -0.203 4.439 4.640 0.003 0.000 0.215 55 D C -0.591 175.816 176.300 0.179 0.000 1.214 55 D CA 0.751 54.849 54.000 0.164 0.000 0.870 55 D CB -0.753 40.115 40.800 0.113 0.000 0.874 55 D HN 0.099 nan 8.370 nan 0.000 0.393 56 L N 1.200 122.541 121.223 0.197 0.000 2.334 56 L HA 0.560 4.901 4.340 0.003 0.000 0.277 56 L C 1.862 178.794 176.870 0.103 0.000 1.075 56 L CA -0.272 54.667 54.840 0.165 0.000 0.804 56 L CB 1.299 43.487 42.059 0.216 0.000 1.174 56 L HN 0.308 nan 8.230 nan 0.000 0.438 57 A N 2.952 125.812 122.820 0.066 0.000 2.121 57 A HA 0.074 4.395 4.320 0.003 0.000 0.218 57 A C 0.691 178.284 177.584 0.015 0.000 1.154 57 A CA 0.609 52.665 52.037 0.032 0.000 0.679 57 A CB -0.117 18.890 19.000 0.012 0.000 0.795 57 A HN 0.378 nan 8.150 nan 0.000 0.458 58 V N 0.354 120.283 119.914 0.024 0.000 2.357 58 V HA 0.274 4.396 4.120 0.003 0.000 0.284 58 V C 0.051 176.179 176.094 0.058 0.000 1.018 58 V CA -0.374 61.927 62.300 0.001 0.000 0.841 58 V CB 1.200 32.990 31.823 -0.055 0.000 0.991 58 V HN 0.427 nan 8.190 nan 0.000 0.437 59 K N 5.184 125.608 120.400 0.040 0.000 2.564 59 K HA 0.464 4.786 4.320 0.003 0.000 0.205 59 K C -0.295 176.328 176.600 0.038 0.000 1.053 59 K CA -0.055 56.270 56.287 0.063 0.000 1.072 59 K CB 0.579 33.111 32.500 0.054 0.000 0.822 59 K HN 0.774 nan 8.250 nan 0.000 0.497 60 I N -3.320 117.251 120.570 0.003 0.000 2.730 60 I HA 0.866 5.037 4.170 0.003 0.000 0.298 60 I C -0.212 175.855 176.117 -0.083 0.000 1.089 60 I CA -0.953 60.317 61.300 -0.050 0.000 1.041 60 I CB 2.392 40.358 38.000 -0.057 0.000 1.235 60 I HN 0.015 nan 8.210 nan 0.000 0.423 61 G N 2.043 110.719 108.800 -0.208 0.000 2.368 61 G HA2 0.516 4.478 3.960 0.003 0.000 0.293 61 G HA3 0.516 4.478 3.960 0.003 0.000 0.293 61 G C -1.351 173.283 174.900 -0.444 0.000 1.467 61 G CA -0.368 44.614 45.100 -0.195 0.000 0.804 61 G HN 0.962 nan 8.290 nan 0.000 0.535 62 G N 0.246 108.911 108.800 -0.224 0.000 2.873 62 G HA2 0.533 4.495 3.960 0.003 0.000 0.340 62 G HA3 0.533 4.495 3.960 0.003 0.000 0.340 62 G C -0.081 174.851 174.900 0.054 0.000 1.171 62 G CA -0.428 44.607 45.100 -0.109 0.000 1.113 62 G HN 0.576 nan 8.290 nan 0.000 0.471 63 H N 1.221 120.472 119.070 0.301 0.000 2.836 63 H HA 0.042 4.599 4.556 0.002 0.000 0.368 63 H C 0.944 176.393 175.328 0.202 0.000 1.164 63 H CA 0.319 56.523 56.048 0.260 0.000 1.425 63 H CB 1.212 31.150 29.762 0.295 0.000 1.414 63 H HN 0.236 nan 8.280 nan 0.000 0.614 64 L N 2.336 123.744 121.223 0.309 0.000 2.490 64 L HA -0.107 4.234 4.340 0.003 0.000 0.274 64 L C 1.771 178.750 176.870 0.182 0.000 1.201 64 L CA -0.029 54.939 54.840 0.215 0.000 0.869 64 L CB 0.381 42.564 42.059 0.206 0.000 1.123 64 L HN 0.531 nan 8.230 nan 0.000 0.484 65 K N 1.657 122.146 120.400 0.147 0.000 2.103 65 K HA -0.157 4.165 4.320 0.003 0.000 0.207 65 K C 0.206 176.865 176.600 0.099 0.000 1.048 65 K CA 1.436 57.791 56.287 0.112 0.000 0.930 65 K CB -0.051 32.508 32.500 0.099 0.000 0.716 65 K HN 0.552 nan 8.250 nan 0.000 0.444 66 D N -0.316 120.157 120.400 0.121 0.000 2.542 66 D HA 0.281 4.923 4.640 0.003 0.000 0.252 66 D C -2.773 173.624 176.300 0.162 0.000 1.222 66 D CA -2.494 51.585 54.000 0.133 0.000 0.895 66 D CB 1.326 42.234 40.800 0.179 0.000 1.207 66 D HN -0.158 nan 8.370 nan 0.000 0.558 67 P HA 0.001 nan 4.420 nan 0.000 0.264 67 P C 1.240 178.651 177.300 0.185 0.000 1.193 67 P CA -0.428 62.762 63.100 0.149 0.000 0.763 67 P CB 1.087 32.841 31.700 0.090 0.000 0.810 68 V N 2.785 122.814 119.914 0.191 0.000 2.252 68 V HA -0.282 3.839 4.120 0.003 0.000 0.249 68 V C 1.529 177.695 176.094 0.120 0.000 1.056 68 V CA 2.193 64.566 62.300 0.121 0.000 1.022 68 V CB -0.882 30.883 31.823 -0.095 0.000 0.641 68 V HN 0.586 nan 8.190 nan 0.000 0.445 69 D N 0.289 120.749 120.400 0.101 0.000 2.354 69 D HA -0.106 4.536 4.640 0.003 0.000 0.216 69 D C 2.168 178.487 176.300 0.031 0.000 0.970 69 D CA 1.469 55.511 54.000 0.070 0.000 0.905 69 D CB -0.244 40.612 40.800 0.094 0.000 0.903 69 D HN 0.656 nan 8.370 nan 0.000 0.508 70 S N -1.068 114.630 115.700 -0.003 0.000 2.607 70 S HA -0.055 4.417 4.470 0.003 0.000 0.224 70 S C 0.956 175.376 174.600 -0.299 0.000 0.969 70 S CA 0.265 58.379 58.200 -0.144 0.000 0.927 70 S CB -0.287 62.798 63.200 -0.191 0.000 0.772 70 S HN 0.343 nan 8.310 nan 0.000 0.533 71 H N -0.267 118.808 119.070 0.008 0.000 2.923 71 H HA 0.458 5.016 4.556 0.003 0.000 0.268 71 H C -0.315 175.011 175.328 -0.004 0.000 1.148 71 H CA -0.362 55.687 56.048 0.003 0.000 1.146 71 H CB 0.427 30.189 29.762 0.000 0.000 1.607 71 H HN 0.297 nan 8.280 nan 0.000 0.566 72 M N 0.965 120.612 119.600 0.077 0.000 2.311 72 M HA 0.376 4.858 4.480 0.003 0.000 0.325 72 M C 0.810 177.125 176.300 0.026 0.000 1.061 72 M CA -0.503 54.823 55.300 0.044 0.000 0.957 72 M CB 1.568 34.183 32.600 0.025 0.000 1.646 72 M HN 0.269 nan 8.290 nan 0.000 0.434 73 G N 1.550 110.363 108.800 0.022 0.000 2.588 73 G HA2 0.309 4.270 3.960 0.003 0.000 0.278 73 G HA3 0.309 4.270 3.960 0.003 0.000 0.278 73 G C 0.686 175.594 174.900 0.014 0.000 1.307 73 G CA -0.324 44.786 45.100 0.016 0.000 1.016 73 G HN 0.845 nan 8.290 nan 0.000 0.503 74 R N -1.184 119.324 120.500 0.012 0.000 2.148 74 R HA 0.055 4.397 4.340 0.003 0.000 0.227 74 R C 2.248 178.555 176.300 0.012 0.000 1.103 74 R CA 0.474 56.582 56.100 0.013 0.000 0.983 74 R CB -0.206 30.101 30.300 0.011 0.000 0.874 74 R HN 0.484 nan 8.270 nan 0.000 0.451 75 L N 0.589 121.818 121.223 0.010 0.000 2.007 75 L HA -0.160 4.182 4.340 0.003 0.000 0.205 75 L C 1.081 177.955 176.870 0.007 0.000 1.073 75 L CA 1.932 56.777 54.840 0.008 0.000 0.744 75 L CB -0.592 41.471 42.059 0.006 0.000 0.898 75 L HN 0.209 nan 8.230 nan 0.000 0.435 76 D N -0.170 120.234 120.400 0.006 0.000 2.182 76 D HA -0.212 4.430 4.640 0.003 0.000 0.201 76 D C 2.219 178.523 176.300 0.006 0.000 0.986 76 D CA 1.027 55.029 54.000 0.002 0.000 0.847 76 D CB -0.033 40.767 40.800 -0.001 0.000 0.942 76 D HN 0.259 nan 8.370 nan 0.000 0.467 77 M N 0.110 119.719 119.600 0.014 0.000 2.460 77 M HA -0.085 4.396 4.480 0.003 0.000 0.263 77 M C 1.739 178.054 176.300 0.026 0.000 1.071 77 M CA 0.983 56.297 55.300 0.024 0.000 1.096 77 M CB -0.318 32.298 32.600 0.028 0.000 1.408 77 M HN 0.173 nan 8.290 nan 0.000 0.463 78 R N -0.100 120.411 120.500 0.019 0.000 2.419 78 R HA 0.134 4.476 4.340 0.003 0.000 0.235 78 R C 1.627 177.936 176.300 0.015 0.000 0.899 78 R CA 0.051 56.163 56.100 0.019 0.000 1.048 78 R CB -0.063 30.247 30.300 0.017 0.000 1.182 78 R HN 0.343 nan 8.270 nan 0.000 0.544 79 R N 0.377 120.883 120.500 0.010 0.000 2.397 79 R HA 0.395 4.737 4.340 0.003 0.000 0.241 79 R C -0.147 176.155 176.300 0.003 0.000 0.914 79 R CA -0.109 55.994 56.100 0.005 0.000 1.071 79 R CB 0.425 30.725 30.300 0.001 0.000 1.116 79 R HN 0.084 nan 8.270 nan 0.000 0.524 80 M N 1.123 120.726 119.600 0.006 0.000 2.501 80 M HA 0.286 4.768 4.480 0.003 0.000 0.293 80 M C -0.530 175.782 176.300 0.019 0.000 1.192 80 M CA -1.053 54.248 55.300 0.003 0.000 0.886 80 M CB 2.677 35.269 32.600 -0.014 0.000 1.710 80 M HN 0.164 nan 8.290 nan 0.000 0.457 81 S N 0.507 116.222 115.700 0.026 0.000 2.634 81 S HA 0.179 4.651 4.470 0.003 0.000 0.261 81 S C 0.803 175.449 174.600 0.078 0.000 1.271 81 S CA -0.329 57.908 58.200 0.061 0.000 0.985 81 S CB 0.561 63.796 63.200 0.058 0.000 0.968 81 S HN 0.775 nan 8.310 nan 0.000 0.568 82 Y N 1.536 121.843 120.300 0.012 0.000 2.081 82 Y HA -0.217 4.335 4.550 0.003 0.000 0.280 82 Y C 2.321 178.229 175.900 0.014 0.000 1.163 82 Y CA 2.714 60.824 58.100 0.017 0.000 1.135 82 Y CB -0.869 37.602 38.460 0.018 0.000 0.970 82 Y HN 0.527 nan 8.280 nan 0.000 0.498 83 V N -1.317 118.688 119.914 0.151 0.000 2.515 83 V HA -0.258 3.863 4.120 0.003 0.000 0.250 83 V C 1.903 177.972 176.094 -0.041 0.000 1.058 83 V CA 1.980 64.315 62.300 0.058 0.000 1.064 83 V CB -1.056 30.835 31.823 0.113 0.000 0.675 83 V HN 0.519 nan 8.190 nan 0.000 0.461 84 Q N 0.416 120.198 119.800 -0.031 0.000 2.084 84 Q HA -0.156 4.186 4.340 0.003 0.000 0.202 84 Q C 2.530 178.480 176.000 -0.083 0.000 0.978 84 Q CA 2.067 57.843 55.803 -0.046 0.000 0.844 84 Q CB -0.236 28.485 28.738 -0.027 0.000 0.898 84 Q HN 0.649 nan 8.270 nan 0.000 0.426 85 R N 0.068 120.492 120.500 -0.127 0.000 2.115 85 R HA -0.030 4.311 4.340 0.003 0.000 0.226 85 R C 2.258 178.434 176.300 -0.207 0.000 1.100 85 R CA 1.075 57.082 56.100 -0.156 0.000 0.980 85 R CB -0.250 29.947 30.300 -0.173 0.000 0.875 85 R HN 0.320 nan 8.270 nan 0.000 0.445 86 M N 0.247 119.662 119.600 -0.308 0.000 2.099 86 M HA -0.066 4.416 4.480 0.003 0.000 0.262 86 M C 2.057 178.289 176.300 -0.114 0.000 1.067 86 M CA 2.152 57.307 55.300 -0.241 0.000 1.124 86 M CB -0.301 32.153 32.600 -0.244 0.000 1.353 86 M HN 0.200 nan 8.290 nan 0.000 0.410 87 G N 0.407 109.155 108.800 -0.086 0.000 2.422 87 G HA2 -0.264 3.698 3.960 0.003 0.000 0.218 87 G HA3 -0.264 3.698 3.960 0.003 0.000 0.218 87 G C 1.517 176.386 174.900 -0.051 0.000 1.146 87 G CA 1.222 46.291 45.100 -0.051 0.000 0.769 87 G HN 0.569 nan 8.290 nan 0.000 0.547 88 K N -0.281 120.082 120.400 -0.063 0.000 2.057 88 K HA -0.020 4.301 4.320 0.003 0.000 0.207 88 K C 2.347 178.920 176.600 -0.044 0.000 1.049 88 K CA 1.153 57.408 56.287 -0.053 0.000 0.931 88 K CB -0.313 32.156 32.500 -0.052 0.000 0.714 88 K HN 0.216 nan 8.250 nan 0.000 0.440 89 L N 1.333 122.521 121.223 -0.058 0.000 2.017 89 L HA -0.114 4.227 4.340 0.003 0.000 0.208 89 L C 1.957 178.798 176.870 -0.049 0.000 1.073 89 L CA 1.639 56.440 54.840 -0.066 0.000 0.745 89 L CB -0.377 41.623 42.059 -0.097 0.000 0.894 89 L HN 0.273 nan 8.230 nan 0.000 0.432 90 L N -1.148 120.053 121.223 -0.036 0.000 2.109 90 L HA -0.038 4.304 4.340 0.003 0.000 0.207 90 L C 2.523 179.410 176.870 0.027 0.000 1.086 90 L CA 1.012 55.848 54.840 -0.007 0.000 0.760 90 L CB -1.380 40.678 42.059 -0.001 0.000 0.910 90 L HN 0.449 nan 8.230 nan 0.000 0.437 91 G N 0.080 108.891 108.800 0.018 0.000 2.446 91 G HA2 -0.235 3.727 3.960 0.003 0.000 0.217 91 G HA3 -0.235 3.727 3.960 0.003 0.000 0.217 91 G C 1.558 176.507 174.900 0.082 0.000 1.168 91 G CA 0.847 45.971 45.100 0.039 0.000 0.771 91 G HN 0.485 nan 8.290 nan 0.000 0.551 92 G N -0.304 108.526 108.800 0.049 0.000 2.421 92 G HA2 -0.073 3.889 3.960 0.003 0.000 0.217 92 G HA3 -0.073 3.889 3.960 0.003 0.000 0.217 92 G C 1.784 176.751 174.900 0.111 0.000 1.143 92 G CA 0.943 46.095 45.100 0.086 0.000 0.784 92 G HN 0.501 nan 8.290 nan 0.000 0.541 93 Q N -0.716 119.121 119.800 0.061 0.000 2.046 93 Q HA -0.004 4.337 4.340 0.003 0.000 0.200 93 Q C 2.475 178.521 176.000 0.077 0.000 0.975 93 Q CA 1.072 56.901 55.803 0.043 0.000 0.836 93 Q CB -0.240 28.497 28.738 -0.002 0.000 0.896 93 Q HN 0.422 nan 8.270 nan 0.000 0.428 94 L N 0.080 121.367 121.223 0.106 0.000 2.046 94 L HA -0.176 4.166 4.340 0.003 0.000 0.208 94 L C 1.933 178.917 176.870 0.190 0.000 1.077 94 L CA 1.716 56.634 54.840 0.130 0.000 0.747 94 L CB -0.554 41.598 42.059 0.155 0.000 0.896 94 L HN 0.398 nan 8.230 nan 0.000 0.432 95 W N 0.812 122.115 121.300 0.005 0.000 2.333 95 W HA -0.328 4.334 4.660 0.003 0.000 0.316 95 W C 2.501 179.012 176.519 -0.013 0.000 1.215 95 W CA 1.924 59.269 57.345 0.000 0.000 1.278 95 W CB -0.070 29.400 29.460 0.016 0.000 1.154 95 W HN 0.492 nan 8.180 nan 0.000 0.486 96 E N 0.106 120.367 120.200 0.102 0.000 2.110 96 E HA -0.197 4.155 4.350 0.003 0.000 0.193 96 E C 1.967 178.529 176.600 -0.063 0.000 0.988 96 E CA 2.159 58.553 56.400 -0.011 0.000 0.804 96 E CB -0.618 29.104 29.700 0.038 0.000 0.745 96 E HN -0.069 nan 8.360 nan 0.000 0.458 97 S N 0.029 115.710 115.700 -0.032 0.000 2.442 97 S HA -0.073 4.399 4.470 0.003 0.000 0.236 97 S C 1.783 176.326 174.600 -0.095 0.000 1.007 97 S CA 0.890 59.062 58.200 -0.047 0.000 0.965 97 S CB -0.097 63.092 63.200 -0.019 0.000 0.773 97 S HN 0.523 nan 8.310 nan 0.000 0.504 98 A N -0.002 122.724 122.820 -0.157 0.000 2.238 98 A HA 0.529 4.851 4.320 0.003 0.000 0.210 98 A C 1.563 178.970 177.584 -0.294 0.000 1.179 98 A CA 0.741 52.636 52.037 -0.236 0.000 0.827 98 A CB -0.360 18.446 19.000 -0.324 0.000 0.856 98 A HN 0.813 nan 8.150 nan 0.000 0.488 99 G N -1.808 106.830 108.800 -0.270 0.000 2.148 99 G HA2 -0.090 3.872 3.960 0.003 0.000 0.203 99 G HA3 -0.090 3.872 3.960 0.003 0.000 0.203 99 G C 0.418 175.138 174.900 -0.299 0.000 0.993 99 G CA 0.151 45.111 45.100 -0.233 0.000 0.661 99 G HN 1.265 nan 8.290 nan 0.000 0.518 100 S N -0.136 115.267 115.700 -0.494 0.000 3.711 100 S HA -0.129 4.343 4.470 0.003 0.000 0.374 100 S C -1.345 172.945 174.600 -0.516 0.000 0.969 100 S CA 0.849 58.706 58.200 -0.572 0.000 1.198 100 S CB -0.878 62.248 63.200 -0.125 0.000 0.903 100 S HN 0.805 nan 8.310 nan 0.000 0.493 101 P HA 0.196 nan 4.420 nan 0.000 0.269 101 P C 0.044 177.261 177.300 -0.139 0.000 1.217 101 P CA 0.151 62.988 63.100 -0.439 0.000 0.783 101 P CB 0.445 31.812 31.700 -0.554 0.000 0.898 102 E N 1.059 121.228 120.200 -0.052 0.000 2.063 102 E HA 0.293 4.645 4.350 0.003 0.000 0.265 102 E C -0.355 176.277 176.600 0.053 0.000 0.919 102 E CA -0.459 55.968 56.400 0.046 0.000 0.756 102 E CB 0.962 30.678 29.700 0.026 0.000 1.120 102 E HN 0.236 nan 8.360 nan 0.000 0.414 103 V N -0.292 119.686 119.914 0.108 0.000 2.919 103 V HA 0.466 4.588 4.120 0.003 0.000 0.316 103 V C 0.139 176.317 176.094 0.140 0.000 1.077 103 V CA -1.172 61.208 62.300 0.133 0.000 0.977 103 V CB 2.176 34.043 31.823 0.073 0.000 1.039 103 V HN 0.284 nan 8.190 nan 0.000 0.441 104 D N 3.340 123.835 120.400 0.157 0.000 2.349 104 D HA 0.267 4.909 4.640 0.003 0.000 0.266 104 D C -1.585 174.817 176.300 0.169 0.000 1.293 104 D CA -1.661 52.421 54.000 0.136 0.000 0.926 104 D CB 1.585 42.458 40.800 0.120 0.000 1.090 104 D HN 0.414 nan 8.370 nan 0.000 0.502 105 P HA -0.125 nan 4.420 nan 0.000 0.217 105 P C 0.466 177.858 177.300 0.154 0.000 1.148 105 P CA 0.932 64.160 63.100 0.213 0.000 0.828 105 P CB 0.296 32.074 31.700 0.129 0.000 0.783 106 D N -1.624 118.837 120.400 0.101 0.000 2.363 106 D HA -0.024 4.617 4.640 0.003 0.000 0.220 106 D C 1.350 177.688 176.300 0.063 0.000 0.994 106 D CA 0.605 54.641 54.000 0.060 0.000 0.890 106 D CB -0.096 40.730 40.800 0.043 0.000 0.906 106 D HN 0.111 nan 8.370 nan 0.000 0.530 107 R N -0.162 120.399 120.500 0.102 0.000 2.543 107 R HA 0.152 4.494 4.340 0.003 0.000 0.323 107 R C -0.339 176.046 176.300 0.142 0.000 1.002 107 R CA -0.430 55.719 56.100 0.083 0.000 1.106 107 R CB 0.212 30.550 30.300 0.064 0.000 1.280 107 R HN 0.031 nan 8.270 nan 0.000 0.549 108 F N 1.520 121.456 119.950 -0.023 0.000 2.402 108 F HA 0.697 5.226 4.527 0.003 0.000 0.355 108 F C -0.802 174.979 175.800 -0.031 0.000 1.123 108 F CA -2.247 55.741 58.000 -0.021 0.000 1.021 108 F CB 1.040 40.046 39.000 0.011 0.000 1.160 108 F HN -0.000 nan 8.300 nan 0.000 0.451 109 A N 4.852 127.664 122.820 -0.013 0.000 2.386 109 A HA 0.894 5.216 4.320 0.003 0.000 0.308 109 A C -1.705 175.728 177.584 -0.251 0.000 1.128 109 A CA -0.736 51.185 52.037 -0.194 0.000 0.789 109 A CB 1.786 20.752 19.000 -0.056 0.000 1.325 109 A HN 0.548 nan 8.150 nan 0.000 0.437 110 V N 0.759 120.538 119.914 -0.225 0.000 2.577 110 V HA 0.531 4.652 4.120 0.003 0.000 0.303 110 V C -1.054 174.995 176.094 -0.076 0.000 1.042 110 V CA -0.369 61.835 62.300 -0.160 0.000 0.872 110 V CB 1.760 33.443 31.823 -0.233 0.000 0.998 110 V HN 0.712 nan 8.190 nan 0.000 0.423 111 V N 5.505 125.408 119.914 -0.018 0.000 2.419 111 V HA 0.541 4.663 4.120 0.003 0.000 0.287 111 V C -0.562 175.544 176.094 0.020 0.000 1.017 111 V CA -0.560 61.743 62.300 0.005 0.000 0.844 111 V CB 1.684 33.535 31.823 0.047 0.000 1.011 111 V HN 0.541 nan 8.190 nan 0.000 0.429 112 V N 3.432 123.348 119.914 0.002 0.000 2.531 112 V HA 0.811 4.933 4.120 0.003 0.000 0.301 112 V C 0.737 176.837 176.094 0.009 0.000 1.034 112 V CA -0.273 62.033 62.300 0.010 0.000 0.865 112 V CB 2.047 33.869 31.823 -0.003 0.000 0.995 112 V HN 0.893 nan 8.190 nan 0.000 0.424 113 G N 1.910 110.723 108.800 0.020 0.000 2.425 113 G HA2 0.640 4.602 3.960 0.003 0.000 0.302 113 G HA3 0.640 4.602 3.960 0.003 0.000 0.302 113 G C -0.554 174.355 174.900 0.015 0.000 1.159 113 G CA -0.277 44.833 45.100 0.016 0.000 0.865 113 G HN 0.672 nan 8.290 nan 0.000 0.515 114 T N -1.081 113.479 114.554 0.010 0.000 2.853 114 T HA 0.518 4.870 4.350 0.003 0.000 0.311 114 T C 1.366 176.074 174.700 0.013 0.000 1.307 114 T CA 0.450 62.560 62.100 0.016 0.000 1.019 114 T CB 1.376 70.255 68.868 0.019 0.000 1.264 114 T HN 0.683 nan 8.240 nan 0.000 0.497 115 G N 1.338 110.149 108.800 0.019 0.000 2.433 115 G HA2 0.011 3.972 3.960 0.003 0.000 0.216 115 G HA3 0.011 3.972 3.960 0.003 0.000 0.216 115 G C 1.029 175.941 174.900 0.021 0.000 1.186 115 G CA 1.891 47.005 45.100 0.023 0.000 0.779 115 G HN 0.709 nan 8.290 nan 0.000 0.543 116 L N -3.420 117.812 121.223 0.016 0.000 3.066 116 L HA 0.637 4.978 4.340 0.003 0.000 0.272 116 L C 0.905 177.777 176.870 0.004 0.000 1.101 116 L CA 0.584 55.429 54.840 0.007 0.000 1.022 116 L CB -0.141 41.919 42.059 0.001 0.000 1.600 116 L HN 0.894 nan 8.230 nan 0.000 0.559 117 G N -0.165 108.642 108.800 0.012 0.000 2.297 117 G HA2 0.213 4.175 3.960 0.003 0.000 0.209 117 G HA3 0.213 4.175 3.960 0.003 0.000 0.209 117 G C 0.061 174.976 174.900 0.026 0.000 1.267 117 G CA -0.227 44.882 45.100 0.015 0.000 1.127 117 G HN 0.745 nan 8.290 nan 0.000 0.498 118 G N 0.393 109.208 108.800 0.025 0.000 3.458 118 G HA2 0.620 4.582 3.960 0.003 0.000 0.256 118 G HA3 0.620 4.582 3.960 0.003 0.000 0.256 118 G C 1.168 176.081 174.900 0.022 0.000 0.938 118 G CA 1.366 46.488 45.100 0.036 0.000 1.890 118 G HN 1.761 nan 8.290 nan 0.000 0.639 119 A N 1.470 124.296 122.820 0.010 0.000 1.972 119 A HA -0.066 4.256 4.320 0.003 0.000 0.219 119 A C 2.260 179.840 177.584 -0.006 0.000 1.169 119 A CA 1.599 53.630 52.037 -0.009 0.000 0.635 119 A CB -0.053 18.932 19.000 -0.025 0.000 0.810 119 A HN 0.570 nan 8.150 nan 0.000 0.446 120 E N 0.132 120.336 120.200 0.005 0.000 2.204 120 E HA -0.228 4.123 4.350 0.003 0.000 0.195 120 E C 1.467 178.085 176.600 0.030 0.000 0.990 120 E CA 0.946 57.354 56.400 0.014 0.000 0.821 120 E CB -0.402 29.311 29.700 0.022 0.000 0.750 120 E HN 0.456 nan 8.360 nan 0.000 0.477 121 R N 0.419 120.938 120.500 0.032 0.000 2.193 121 R HA 0.187 4.529 4.340 0.003 0.000 0.213 121 R C 2.485 178.807 176.300 0.037 0.000 1.055 121 R CA 0.459 56.581 56.100 0.036 0.000 0.995 121 R CB -0.516 29.804 30.300 0.033 0.000 0.893 121 R HN 0.342 nan 8.270 nan 0.000 0.459 122 I N 0.820 121.404 120.570 0.023 0.000 2.202 122 I HA -0.222 3.949 4.170 0.003 0.000 0.242 122 I C 2.298 178.446 176.117 0.051 0.000 1.091 122 I CA 1.266 62.577 61.300 0.018 0.000 1.368 122 I CB -0.348 37.639 38.000 -0.022 0.000 1.058 122 I HN -0.082 nan 8.210 nan 0.000 0.410 123 V N -1.750 118.190 119.914 0.044 0.000 2.667 123 V HA -0.165 3.957 4.120 0.003 0.000 0.252 123 V C 2.188 178.373 176.094 0.151 0.000 1.065 123 V CA 1.553 63.914 62.300 0.103 0.000 1.083 123 V CB -0.774 31.079 31.823 0.051 0.000 0.692 123 V HN 0.481 nan 8.190 nan 0.000 0.468 124 E N 1.388 121.645 120.200 0.095 0.000 2.028 124 E HA -0.174 4.178 4.350 0.003 0.000 0.191 124 E C 2.272 178.920 176.600 0.081 0.000 0.988 124 E CA 1.657 58.104 56.400 0.079 0.000 0.799 124 E CB -0.152 29.582 29.700 0.057 0.000 0.755 124 E HN 0.666 nan 8.360 nan 0.000 0.447 125 S N -0.154 115.597 115.700 0.085 0.000 2.399 125 S HA -0.177 4.295 4.470 0.003 0.000 0.231 125 S C 1.568 176.233 174.600 0.108 0.000 1.022 125 S CA 1.184 59.430 58.200 0.077 0.000 0.983 125 S CB -0.420 62.821 63.200 0.069 0.000 0.803 125 S HN 0.451 nan 8.310 nan 0.000 0.480 126 Y N 2.328 122.631 120.300 0.004 0.000 2.184 126 Y HA -0.148 4.407 4.550 0.008 0.000 0.290 126 Y C 1.900 177.803 175.900 0.006 0.000 1.129 126 Y CA 1.477 59.578 58.100 0.002 0.000 1.144 126 Y CB -0.176 38.284 38.460 -0.001 0.000 0.995 126 Y HN 0.118 nan 8.280 nan 0.000 0.513 127 D N 0.333 120.716 120.400 -0.027 0.000 2.117 127 D HA -0.161 4.480 4.640 0.003 0.000 0.197 127 D C 2.100 178.347 176.300 -0.087 0.000 0.987 127 D CA 1.095 55.033 54.000 -0.104 0.000 0.829 127 D CB -0.250 40.553 40.800 0.005 0.000 0.961 127 D HN 0.293 nan 8.370 nan 0.000 0.460 128 L N 0.523 121.727 121.223 -0.030 0.000 2.042 128 L HA -0.114 4.227 4.340 0.003 0.000 0.210 128 L C 2.434 179.280 176.870 -0.040 0.000 1.076 128 L CA 1.322 56.149 54.840 -0.022 0.000 0.749 128 L CB -0.914 41.147 42.059 0.003 0.000 0.893 128 L HN 0.112 nan 8.230 nan 0.000 0.432 129 M N -0.947 118.622 119.600 -0.051 0.000 2.123 129 M HA -0.168 4.314 4.480 0.003 0.000 0.263 129 M C 1.870 178.117 176.300 -0.090 0.000 1.069 129 M CA 1.421 56.690 55.300 -0.052 0.000 1.133 129 M CB -0.156 32.428 32.600 -0.028 0.000 1.356 129 M HN 0.205 nan 8.290 nan 0.000 0.415 130 N N 1.053 119.651 118.700 -0.170 0.000 2.205 130 N HA -0.118 4.624 4.740 0.003 0.000 0.186 130 N C 1.491 176.935 175.510 -0.110 0.000 1.015 130 N CA 1.757 54.697 53.050 -0.184 0.000 0.862 130 N CB -0.421 37.873 38.487 -0.322 0.000 0.986 130 N HN 0.548 nan 8.380 nan 0.000 0.429 131 A N -0.983 121.784 122.820 -0.089 0.000 2.014 131 A HA 0.409 4.731 4.320 0.003 0.000 0.210 131 A C 1.733 179.296 177.584 -0.036 0.000 1.188 131 A CA 1.050 53.054 52.037 -0.055 0.000 0.731 131 A CB 0.083 19.056 19.000 -0.045 0.000 0.858 131 A HN 0.311 nan 8.150 nan 0.000 0.464 132 G N -1.674 107.106 108.800 -0.034 0.000 4.213 132 G HA2 0.523 4.485 3.960 0.003 0.000 0.274 132 G HA3 0.523 4.485 3.960 0.003 0.000 0.274 132 G C 0.692 175.581 174.900 -0.019 0.000 1.033 132 G CA 0.584 45.671 45.100 -0.022 0.000 0.822 132 G HN 1.566 nan 8.290 nan 0.000 0.432 133 G N 0.423 109.209 108.800 -0.025 0.000 2.760 133 G HA2 -0.114 3.848 3.960 0.003 0.000 0.246 133 G HA3 -0.114 3.848 3.960 0.003 0.000 0.246 133 G C -1.325 173.568 174.900 -0.011 0.000 1.359 133 G CA -0.152 44.937 45.100 -0.018 0.000 0.861 133 G HN 0.044 nan 8.290 nan 0.000 0.541 134 P HA -0.050 nan 4.420 nan 0.000 0.216 134 P C 1.712 179.014 177.300 0.002 0.000 1.150 134 P CA 1.546 64.647 63.100 0.001 0.000 0.837 134 P CB -0.039 31.663 31.700 0.002 0.000 0.786 135 R N -0.860 119.640 120.500 0.000 0.000 2.323 135 R HA 0.054 4.396 4.340 0.003 0.000 0.198 135 R C 1.121 177.422 176.300 0.002 0.000 0.988 135 R CA 0.472 56.573 56.100 0.001 0.000 1.041 135 R CB -0.125 30.175 30.300 0.000 0.000 0.926 135 R HN 0.036 nan 8.270 nan 0.000 0.476 136 K N 0.142 120.542 120.400 0.001 0.000 2.374 136 K HA 0.133 4.454 4.320 0.003 0.000 0.196 136 K C -0.120 176.484 176.600 0.007 0.000 1.023 136 K CA 0.111 56.399 56.287 0.002 0.000 1.103 136 K CB 0.705 33.203 32.500 -0.003 0.000 0.848 136 K HN -0.129 nan 8.250 nan 0.000 0.528 137 V N 1.076 120.995 119.914 0.009 0.000 2.498 137 V HA 0.171 4.293 4.120 0.003 0.000 0.279 137 V C 0.435 176.536 176.094 0.012 0.000 1.048 137 V CA -0.704 61.605 62.300 0.015 0.000 0.967 137 V CB 1.460 33.294 31.823 0.019 0.000 0.988 137 V HN 0.123 nan 8.190 nan 0.000 0.473 138 S N 5.303 121.011 115.700 0.014 0.000 2.580 138 S HA 0.281 4.753 4.470 0.003 0.000 0.274 138 S C -1.433 173.173 174.600 0.010 0.000 1.329 138 S CA -1.008 57.199 58.200 0.011 0.000 1.036 138 S CB 1.089 64.297 63.200 0.013 0.000 0.919 138 S HN 0.644 nan 8.310 nan 0.000 0.515 139 P HA 0.099 nan 4.420 nan 0.000 0.234 139 P C 0.394 177.696 177.300 0.003 0.000 1.167 139 P CA 0.754 63.857 63.100 0.004 0.000 0.763 139 P CB 0.046 31.748 31.700 0.003 0.000 0.835 140 L N -2.167 119.059 121.223 0.005 0.000 2.667 140 L HA 0.291 4.633 4.340 0.003 0.000 0.232 140 L C 1.921 178.795 176.870 0.006 0.000 1.138 140 L CA 0.053 54.896 54.840 0.004 0.000 0.921 140 L CB -0.429 41.633 42.059 0.004 0.000 1.180 140 L HN -0.058 nan 8.230 nan 0.000 0.487 141 A N 0.266 123.092 122.820 0.009 0.000 1.929 141 A HA -0.068 4.254 4.320 0.003 0.000 0.216 141 A C 2.243 179.833 177.584 0.009 0.000 1.176 141 A CA 1.086 53.131 52.037 0.013 0.000 0.628 141 A CB -0.341 18.670 19.000 0.018 0.000 0.816 141 A HN 0.151 nan 8.150 nan 0.000 0.444 142 V N 1.382 121.300 119.914 0.005 0.000 2.295 142 V HA -0.337 3.785 4.120 0.003 0.000 0.246 142 V C 2.807 178.899 176.094 -0.003 0.000 1.049 142 V CA 2.297 64.598 62.300 0.001 0.000 1.024 142 V CB -1.029 30.793 31.823 -0.002 0.000 0.648 142 V HN 0.911 nan 8.190 nan 0.000 0.447 143 Q N -0.761 119.037 119.800 -0.004 0.000 2.297 143 Q HA -0.115 4.227 4.340 0.003 0.000 0.204 143 Q C 2.002 177.999 176.000 -0.005 0.000 0.962 143 Q CA 1.545 57.343 55.803 -0.008 0.000 0.879 143 Q CB -0.246 28.485 28.738 -0.011 0.000 0.947 143 Q HN 0.536 nan 8.270 nan 0.000 0.462 144 M N -0.097 119.504 119.600 0.002 0.000 2.435 144 M HA 0.094 4.576 4.480 0.003 0.000 0.265 144 M C 1.833 178.140 176.300 0.011 0.000 1.104 144 M CA 0.802 56.107 55.300 0.008 0.000 1.140 144 M CB 0.230 32.839 32.600 0.015 0.000 1.372 144 M HN 0.228 nan 8.290 nan 0.000 0.456 145 I N 0.486 121.061 120.570 0.008 0.000 2.339 145 I HA -0.083 4.088 4.170 0.003 0.000 0.245 145 I C 1.325 177.442 176.117 -0.000 0.000 1.096 145 I CA -0.026 61.278 61.300 0.006 0.000 1.408 145 I CB -0.055 37.948 38.000 0.005 0.000 1.092 145 I HN 0.313 nan 8.210 nan 0.000 0.423 146 M N 2.438 122.036 119.600 -0.005 0.000 2.274 146 M HA -0.032 4.450 4.480 0.003 0.000 0.377 146 M C -1.985 174.309 176.300 -0.010 0.000 1.428 146 M CA -0.490 54.804 55.300 -0.010 0.000 0.907 146 M CB -0.417 32.174 32.600 -0.014 0.000 1.974 146 M HN -0.192 nan 8.290 nan 0.000 0.479 147 P HA -0.132 nan 4.420 nan 0.000 0.222 147 P C 0.577 177.868 177.300 -0.015 0.000 1.147 147 P CA 1.405 64.499 63.100 -0.010 0.000 0.790 147 P CB -0.249 31.444 31.700 -0.013 0.000 0.780 148 N N -0.777 117.909 118.700 -0.022 0.000 2.461 148 N HA -0.005 4.737 4.740 0.003 0.000 0.188 148 N C 1.761 177.252 175.510 -0.031 0.000 1.134 148 N CA 0.842 53.874 53.050 -0.030 0.000 0.878 148 N CB -1.208 37.256 38.487 -0.037 0.000 0.972 148 N HN 0.066 nan 8.380 nan 0.000 0.456 149 G N 1.329 110.116 108.800 -0.023 0.000 2.476 149 G HA2 -0.247 3.715 3.960 0.003 0.000 0.218 149 G HA3 -0.247 3.715 3.960 0.003 0.000 0.218 149 G C 1.693 176.575 174.900 -0.029 0.000 1.164 149 G CA 1.498 46.584 45.100 -0.023 0.000 0.768 149 G HN 0.517 nan 8.290 nan 0.000 0.560 150 A N 1.046 123.852 122.820 -0.023 0.000 1.908 150 A HA 0.217 4.539 4.320 0.003 0.000 0.218 150 A C 2.808 180.367 177.584 -0.042 0.000 1.181 150 A CA 2.465 54.485 52.037 -0.028 0.000 0.627 150 A CB -0.756 18.236 19.000 -0.014 0.000 0.818 150 A HN 0.859 nan 8.150 nan 0.000 0.445 151 A N -0.411 122.383 122.820 -0.044 0.000 1.929 151 A HA 0.268 4.589 4.320 0.003 0.000 0.216 151 A C 2.486 180.021 177.584 -0.082 0.000 1.176 151 A CA 1.790 53.790 52.037 -0.061 0.000 0.628 151 A CB -0.924 18.042 19.000 -0.056 0.000 0.816 151 A HN 0.995 nan 8.150 nan 0.000 0.444 152 A N -0.367 122.410 122.820 -0.071 0.000 1.877 152 A HA -0.020 4.302 4.320 0.003 0.000 0.216 152 A C 2.211 179.745 177.584 -0.083 0.000 1.186 152 A CA 1.781 53.772 52.037 -0.078 0.000 0.620 152 A CB -1.048 17.916 19.000 -0.060 0.000 0.822 152 A HN 0.380 nan 8.150 nan 0.000 0.443 153 V N 0.392 120.265 119.914 -0.069 0.000 2.282 153 V HA -0.316 3.806 4.120 0.003 0.000 0.249 153 V C 2.425 178.466 176.094 -0.088 0.000 1.057 153 V CA 2.278 64.537 62.300 -0.068 0.000 1.032 153 V CB -0.718 31.073 31.823 -0.054 0.000 0.645 153 V HN 0.591 nan 8.190 nan 0.000 0.447 154 I N 0.431 120.944 120.570 -0.095 0.000 2.315 154 I HA -0.114 4.058 4.170 0.003 0.000 0.248 154 I C 2.532 178.542 176.117 -0.179 0.000 1.117 154 I CA 1.503 62.733 61.300 -0.117 0.000 1.404 154 I CB -0.855 37.090 38.000 -0.092 0.000 1.071 154 I HN 0.401 nan 8.210 nan 0.000 0.419 155 G N 0.927 109.612 108.800 -0.191 0.000 2.408 155 G HA2 -0.194 3.767 3.960 0.003 0.000 0.217 155 G HA3 -0.194 3.767 3.960 0.003 0.000 0.217 155 G C 1.609 176.383 174.900 -0.210 0.000 1.150 155 G CA 0.259 45.203 45.100 -0.259 0.000 0.776 155 G HN 0.171 nan 8.290 nan 0.000 0.542 156 L N 0.352 121.488 121.223 -0.145 0.000 2.056 156 L HA 0.014 4.356 4.340 0.003 0.000 0.207 156 L C 2.830 179.633 176.870 -0.113 0.000 1.078 156 L CA 1.994 56.767 54.840 -0.111 0.000 0.749 156 L CB -0.693 41.317 42.059 -0.081 0.000 0.901 156 L HN 0.335 nan 8.230 nan 0.000 0.433 157 Q N -0.906 118.820 119.800 -0.124 0.000 2.020 157 Q HA -0.191 4.151 4.340 0.003 0.000 0.202 157 Q C 2.100 177.992 176.000 -0.180 0.000 0.982 157 Q CA 1.915 57.643 55.803 -0.125 0.000 0.838 157 Q CB -0.067 28.601 28.738 -0.117 0.000 0.899 157 Q HN 0.532 nan 8.270 nan 0.000 0.423 158 L N -1.805 119.267 121.223 -0.251 0.000 2.416 158 L HA 0.200 4.542 4.340 0.003 0.000 0.216 158 L C 1.078 177.856 176.870 -0.153 0.000 1.098 158 L CA 0.604 55.219 54.840 -0.376 0.000 0.840 158 L CB 0.334 42.080 42.059 -0.522 0.000 0.981 158 L HN 0.532 nan 8.230 nan 0.000 0.462 159 G N 0.871 109.582 108.800 -0.149 0.000 2.215 159 G HA2 -0.141 3.821 3.960 0.003 0.000 0.198 159 G HA3 -0.141 3.821 3.960 0.003 0.000 0.198 159 G C 0.154 174.974 174.900 -0.132 0.000 1.047 159 G CA -0.159 44.899 45.100 -0.070 0.000 0.747 159 G HN 0.394 nan 8.290 nan 0.000 0.495 160 A N 0.307 122.840 122.820 -0.478 0.000 2.376 160 A HA 0.695 5.017 4.320 0.003 0.000 0.298 160 A C 1.158 178.548 177.584 -0.323 0.000 1.271 160 A CA 0.031 51.624 52.037 -0.740 0.000 0.926 160 A CB 0.122 18.499 19.000 -1.037 0.000 1.141 160 A HN 0.492 nan 8.150 nan 0.000 0.539 161 R N 2.345 122.743 120.500 -0.171 0.000 2.543 161 R HA 0.225 4.567 4.340 0.003 0.000 0.323 161 R C 0.702 176.963 176.300 -0.065 0.000 1.002 161 R CA 0.584 56.629 56.100 -0.090 0.000 1.106 161 R CB 0.849 31.128 30.300 -0.035 0.000 1.280 161 R HN 0.677 nan 8.270 nan 0.000 0.549 162 A N 0.986 123.758 122.820 -0.080 0.000 2.708 162 A HA 0.505 4.827 4.320 0.003 0.000 0.293 162 A C 0.303 177.843 177.584 -0.073 0.000 1.303 162 A CA -0.005 52.002 52.037 -0.049 0.000 0.949 162 A CB 0.363 19.359 19.000 -0.006 0.000 1.121 162 A HN 0.291 nan 8.150 nan 0.000 0.542 163 G N -1.253 107.487 108.800 -0.100 0.000 2.885 163 G HA2 0.204 4.166 3.960 0.003 0.000 0.685 163 G HA3 0.204 4.166 3.960 0.003 0.000 0.685 163 G C -1.051 173.772 174.900 -0.127 0.000 1.216 163 G CA -0.393 44.650 45.100 -0.096 0.000 0.790 163 G HN 0.894 nan 8.290 nan 0.000 0.631 164 V N 4.264 124.110 119.914 -0.115 0.000 2.380 164 V HA 0.673 4.795 4.120 0.003 0.000 0.286 164 V C 0.495 176.535 176.094 -0.090 0.000 1.015 164 V CA -0.427 61.801 62.300 -0.119 0.000 0.834 164 V CB 1.316 33.062 31.823 -0.129 0.000 1.009 164 V HN 0.768 nan 8.190 nan 0.000 0.428 165 M N 3.030 122.582 119.600 -0.080 0.000 2.598 165 M HA 0.621 5.103 4.480 0.003 0.000 0.317 165 M C -0.544 175.720 176.300 -0.061 0.000 1.179 165 M CA -0.454 54.800 55.300 -0.077 0.000 0.936 165 M CB 2.508 35.053 32.600 -0.091 0.000 1.713 165 M HN 0.396 nan 8.290 nan 0.000 0.460 166 T N 2.413 116.929 114.554 -0.064 0.000 2.963 166 T HA 0.494 4.846 4.350 0.003 0.000 0.328 166 T C -2.598 172.069 174.700 -0.055 0.000 1.048 166 T CA -1.093 60.980 62.100 -0.045 0.000 1.033 166 T CB 0.815 69.661 68.868 -0.038 0.000 1.010 166 T HN 0.371 nan 8.240 nan 0.000 0.469 167 P HA 0.507 nan 4.420 nan 0.000 0.290 167 P C -0.749 176.534 177.300 -0.029 0.000 1.276 167 P CA -0.736 62.339 63.100 -0.041 0.000 0.808 167 P CB 1.075 32.798 31.700 0.039 0.000 0.966 168 V N 0.285 120.168 119.914 -0.052 0.000 2.444 168 V HA 0.751 4.873 4.120 0.003 0.000 0.294 168 V C -0.052 175.963 176.094 -0.132 0.000 1.022 168 V CA -0.366 61.899 62.300 -0.057 0.000 0.850 168 V CB 1.488 33.291 31.823 -0.033 0.000 0.992 168 V HN 0.627 nan 8.190 nan 0.000 0.426 169 S N 3.454 119.058 115.700 -0.159 0.000 2.701 169 S HA 0.761 5.233 4.470 0.003 0.000 0.228 169 S C 0.577 175.126 174.600 -0.084 0.000 0.948 169 S CA 0.508 58.483 58.200 -0.375 0.000 1.129 169 S CB 0.279 63.139 63.200 -0.567 0.000 1.352 169 S HN 2.700 nan 8.310 nan 0.000 0.446 170 A N 2.247 125.071 122.820 0.008 0.000 5.391 170 A HA -0.381 3.941 4.320 0.003 0.000 0.315 170 A C 1.329 178.928 177.584 0.026 0.000 1.874 170 A CA 1.789 53.857 52.037 0.052 0.000 0.714 170 A CB -1.897 17.189 19.000 0.143 0.000 1.335 170 A HN 0.671 nan 8.150 nan 0.000 0.382 171 Q N 0.647 120.459 119.800 0.019 0.000 2.500 171 Q HA 0.090 4.432 4.340 0.003 0.000 0.213 171 Q C 1.884 177.947 176.000 0.104 0.000 0.974 171 Q CA 1.653 57.503 55.803 0.078 0.000 0.918 171 Q CB -0.215 28.614 28.738 0.151 0.000 0.980 171 Q HN 1.017 nan 8.270 nan 0.000 0.505 172 S N -2.631 113.104 115.700 0.057 0.000 2.539 172 S HA 0.205 4.677 4.470 0.003 0.000 0.221 172 S C 1.526 176.129 174.600 0.006 0.000 0.987 172 S CA -0.184 58.025 58.200 0.016 0.000 0.929 172 S CB 0.400 63.608 63.200 0.013 0.000 0.832 172 S HN 0.068 nan 8.310 nan 0.000 0.492 173 S N 2.168 117.873 115.700 0.008 0.000 2.374 173 S HA -0.071 4.401 4.470 0.003 0.000 0.227 173 S C 2.002 176.615 174.600 0.021 0.000 1.037 173 S CA 1.704 59.906 58.200 0.004 0.000 1.024 173 S CB -0.868 62.335 63.200 0.004 0.000 0.861 173 S HN 0.783 nan 8.310 nan 0.000 0.456 174 G N -0.024 108.790 108.800 0.023 0.000 2.464 174 G HA2 -0.039 3.923 3.960 0.003 0.000 0.217 174 G HA3 -0.039 3.923 3.960 0.003 0.000 0.217 174 G C 1.520 176.438 174.900 0.030 0.000 1.138 174 G CA 0.662 45.780 45.100 0.029 0.000 0.793 174 G HN 0.497 nan 8.290 nan 0.000 0.539 175 S N -0.263 115.446 115.700 0.015 0.000 2.395 175 S HA -0.004 4.467 4.470 0.003 0.000 0.225 175 S C 2.068 176.665 174.600 -0.004 0.000 1.027 175 S CA 0.715 58.917 58.200 0.004 0.000 0.965 175 S CB -0.033 63.148 63.200 -0.033 0.000 0.812 175 S HN 0.514 nan 8.310 nan 0.000 0.482 176 E N 0.769 120.971 120.200 0.003 0.000 2.208 176 E HA -0.047 4.305 4.350 0.003 0.000 0.193 176 E C 2.035 178.684 176.600 0.083 0.000 0.988 176 E CA 0.694 57.097 56.400 0.005 0.000 0.828 176 E CB -0.075 29.654 29.700 0.049 0.000 0.763 176 E HN 0.470 nan 8.360 nan 0.000 0.478 177 A N 1.066 123.945 122.820 0.097 0.000 1.898 177 A HA -0.139 4.183 4.320 0.003 0.000 0.216 177 A C 2.086 179.732 177.584 0.105 0.000 1.181 177 A CA 0.898 53.006 52.037 0.119 0.000 0.620 177 A CB -0.475 18.570 19.000 0.074 0.000 0.819 177 A HN 0.228 nan 8.150 nan 0.000 0.442 178 I N -0.180 120.434 120.570 0.074 0.000 2.226 178 I HA -0.278 3.893 4.170 0.003 0.000 0.245 178 I C 2.987 179.135 176.117 0.051 0.000 1.100 178 I CA 0.927 62.274 61.300 0.079 0.000 1.374 178 I CB -0.430 37.627 38.000 0.094 0.000 1.057 178 I HN 0.370 nan 8.210 nan 0.000 0.413 179 A N 0.491 123.296 122.820 -0.024 0.000 1.873 179 A HA -0.271 4.051 4.320 0.003 0.000 0.218 179 A C 2.179 179.743 177.584 -0.033 0.000 1.193 179 A CA 1.819 53.796 52.037 -0.100 0.000 0.629 179 A CB -0.994 17.860 19.000 -0.244 0.000 0.826 179 A HN 0.440 nan 8.150 nan 0.000 0.447 180 H N -0.886 118.227 119.070 0.071 0.000 2.524 180 H HA 0.159 4.716 4.556 0.003 0.000 0.282 180 H C 2.396 177.751 175.328 0.045 0.000 1.016 180 H CA 1.018 57.097 56.048 0.053 0.000 1.270 180 H CB -0.231 29.543 29.762 0.020 0.000 1.394 180 H HN 0.560 nan 8.280 nan 0.000 0.568 181 A N 0.534 123.452 122.820 0.164 0.000 1.898 181 A HA -0.132 4.190 4.320 0.003 0.000 0.214 181 A C 2.327 179.976 177.584 0.108 0.000 1.183 181 A CA 0.877 52.983 52.037 0.115 0.000 0.622 181 A CB -0.897 18.172 19.000 0.115 0.000 0.824 181 A HN 0.497 nan 8.150 nan 0.000 0.444 182 W N 1.012 122.278 121.300 -0.056 0.000 2.329 182 W HA -0.230 4.432 4.660 0.003 0.000 0.324 182 W C 2.356 178.800 176.519 -0.126 0.000 1.222 182 W CA 2.302 59.584 57.345 -0.104 0.000 1.270 182 W CB -0.424 28.940 29.460 -0.160 0.000 1.167 182 W HN 0.235 nan 8.180 nan 0.000 0.467 183 R N -0.277 120.184 120.500 -0.066 0.000 2.159 183 R HA -0.344 3.998 4.340 0.003 0.000 0.249 183 R C 2.169 178.304 176.300 -0.275 0.000 1.136 183 R CA 2.472 58.401 56.100 -0.286 0.000 0.951 183 R CB -1.114 29.187 30.300 0.002 0.000 0.876 183 R HN 0.297 nan 8.270 nan 0.000 0.440 184 Q N 0.699 120.433 119.800 -0.110 0.000 2.181 184 Q HA -0.092 4.250 4.340 0.003 0.000 0.205 184 Q C 1.803 177.727 176.000 -0.127 0.000 0.980 184 Q CA 1.486 57.239 55.803 -0.083 0.000 0.862 184 Q CB -0.039 28.687 28.738 -0.020 0.000 0.905 184 Q HN 0.436 nan 8.270 nan 0.000 0.429 185 I N -0.688 119.773 120.570 -0.182 0.000 2.296 185 I HA -0.150 4.021 4.170 0.003 0.000 0.242 185 I C 2.004 177.969 176.117 -0.254 0.000 1.087 185 I CA 0.995 62.189 61.300 -0.177 0.000 1.393 185 I CB -0.264 37.653 38.000 -0.138 0.000 1.093 185 I HN 0.224 nan 8.210 nan 0.000 0.421 186 V N -1.782 117.838 119.914 -0.491 0.000 2.913 186 V HA -0.147 3.975 4.120 0.003 0.000 0.260 186 V C 2.031 177.949 176.094 -0.294 0.000 1.098 186 V CA 1.274 63.279 62.300 -0.492 0.000 1.121 186 V CB -0.553 30.652 31.823 -1.030 0.000 0.714 186 V HN 0.365 nan 8.190 nan 0.000 0.487 187 M N 0.699 120.137 119.600 -0.270 0.000 2.506 187 M HA 0.270 4.752 4.480 0.003 0.000 0.260 187 M C 1.554 177.807 176.300 -0.078 0.000 1.104 187 M CA 1.165 56.384 55.300 -0.135 0.000 1.112 187 M CB 0.010 32.539 32.600 -0.118 0.000 1.401 187 M HN 0.724 nan 8.290 nan 0.000 0.473 188 G N 1.323 110.070 108.800 -0.087 0.000 2.165 188 G HA2 -0.223 3.738 3.960 0.003 0.000 0.226 188 G HA3 -0.223 3.738 3.960 0.003 0.000 0.226 188 G C -0.142 174.736 174.900 -0.036 0.000 1.035 188 G CA 0.340 45.411 45.100 -0.048 0.000 0.744 188 G HN 0.479 nan 8.290 nan 0.000 0.501 189 D N -0.126 120.247 120.400 -0.046 0.000 2.389 189 D HA 0.547 5.189 4.640 0.003 0.000 0.206 189 D C 1.187 177.474 176.300 -0.022 0.000 1.055 189 D CA 1.345 55.326 54.000 -0.031 0.000 0.856 189 D CB 0.622 41.401 40.800 -0.035 0.000 0.957 189 D HN 1.024 nan 8.370 nan 0.000 0.509 190 A N -0.325 122.479 122.820 -0.027 0.000 2.610 190 A HA 0.489 4.810 4.320 0.003 0.000 0.291 190 A C -0.889 176.678 177.584 -0.029 0.000 1.086 190 A CA -0.643 51.387 52.037 -0.011 0.000 0.677 190 A CB 1.211 20.212 19.000 0.000 0.000 1.278 190 A HN -0.127 nan 8.150 nan 0.000 0.414 191 D N -0.738 119.636 120.400 -0.044 0.000 2.489 191 D HA 0.276 4.917 4.640 0.003 0.000 0.231 191 D C -0.301 175.869 176.300 -0.216 0.000 1.114 191 D CA 0.951 54.887 54.000 -0.106 0.000 0.842 191 D CB 1.638 42.373 40.800 -0.109 0.000 1.133 191 D HN 0.506 nan 8.370 nan 0.000 0.506 192 V N 0.108 119.929 119.914 -0.156 0.000 2.932 192 V HA 0.774 4.895 4.120 0.003 0.000 0.307 192 V C -1.982 174.202 176.094 0.150 0.000 1.147 192 V CA -0.593 61.637 62.300 -0.118 0.000 0.951 192 V CB 2.006 33.616 31.823 -0.354 0.000 1.031 192 V HN 0.051 nan 8.190 nan 0.000 0.426 193 A N 5.225 128.157 122.820 0.186 0.000 2.456 193 A HA 0.746 5.068 4.320 0.003 0.000 0.288 193 A C -1.262 176.481 177.584 0.264 0.000 1.042 193 A CA -0.422 51.767 52.037 0.254 0.000 0.738 193 A CB 1.785 20.865 19.000 0.134 0.000 1.266 193 A HN 1.218 nan 8.150 nan 0.000 0.407 194 V N 1.980 122.102 119.914 0.346 0.000 2.488 194 V HA 0.477 4.599 4.120 0.003 0.000 0.277 194 V C 0.324 176.498 176.094 0.133 0.000 1.046 194 V CA 0.144 62.596 62.300 0.254 0.000 0.986 194 V CB 0.253 32.249 31.823 0.287 0.000 0.989 194 V HN 1.374 nan 8.190 nan 0.000 0.475 195 C N 2.812 122.181 119.300 0.115 0.000 3.170 195 C HA 1.066 5.528 4.460 0.003 0.000 0.319 195 C C 0.248 175.283 174.990 0.074 0.000 1.260 195 C CA 0.010 59.080 59.018 0.086 0.000 1.374 195 C CB 1.026 28.824 27.740 0.096 0.000 1.739 195 C HN 1.383 nan 8.230 nan 0.000 0.479 196 G N 0.464 109.299 108.800 0.059 0.000 2.439 196 G HA2 0.664 4.626 3.960 0.003 0.000 0.186 196 G HA3 0.664 4.626 3.960 0.003 0.000 0.186 196 G C -0.540 174.383 174.900 0.039 0.000 1.260 196 G CA 0.347 45.478 45.100 0.051 0.000 1.020 196 G HN 2.327 nan 8.290 nan 0.000 0.470 197 G N -1.112 107.709 108.800 0.034 0.000 2.733 197 G HA2 0.854 4.816 3.960 0.003 0.000 0.297 197 G HA3 0.854 4.816 3.960 0.003 0.000 0.297 197 G C -0.855 174.065 174.900 0.033 0.000 1.422 197 G CA 0.523 45.642 45.100 0.031 0.000 0.942 197 G HN 1.938 nan 8.290 nan 0.000 0.510 198 V N -1.790 118.145 119.914 0.035 0.000 3.102 198 V HA 1.016 5.138 4.120 0.003 0.000 0.312 198 V C -0.939 175.195 176.094 0.066 0.000 1.135 198 V CA -1.181 61.148 62.300 0.049 0.000 1.022 198 V CB 2.063 33.907 31.823 0.035 0.000 1.056 198 V HN 0.883 nan 8.190 nan 0.000 0.436 199 E N 0.291 120.554 120.200 0.106 0.000 2.390 199 E HA 0.688 5.039 4.350 0.003 0.000 0.280 199 E C -0.046 176.652 176.600 0.162 0.000 0.992 199 E CA 0.261 56.717 56.400 0.093 0.000 0.790 199 E CB 1.909 31.633 29.700 0.040 0.000 1.248 199 E HN 1.246 nan 8.360 nan 0.000 0.447 200 G N 1.725 110.553 108.800 0.046 0.000 2.621 200 G HA2 0.508 4.470 3.960 0.003 0.000 0.271 200 G HA3 0.508 4.470 3.960 0.003 0.000 0.271 200 G C -2.229 172.471 174.900 -0.333 0.000 1.236 200 G CA -0.881 44.115 45.100 -0.172 0.000 0.958 200 G HN 0.419 nan 8.290 nan 0.000 0.512 201 P HA 0.341 nan 4.420 nan 0.000 0.280 201 P C -0.082 177.037 177.300 -0.302 0.000 1.272 201 P CA -0.782 62.110 63.100 -0.347 0.000 0.819 201 P CB 0.875 32.374 31.700 -0.335 0.000 1.122 202 I N 1.182 121.607 120.570 -0.241 0.000 2.662 202 I HA 0.021 4.192 4.170 0.003 0.000 0.285 202 I C 1.056 177.131 176.117 -0.069 0.000 1.161 202 I CA 1.087 62.232 61.300 -0.258 0.000 1.415 202 I CB -0.183 37.686 38.000 -0.217 0.000 1.385 202 I HN 0.197 nan 8.210 nan 0.000 0.552 203 E N 3.731 123.787 120.200 -0.240 0.000 2.429 203 E HA 0.434 4.786 4.350 0.003 0.000 0.276 203 E C 0.325 176.560 176.600 -0.609 0.000 0.953 203 E CA -0.525 55.593 56.400 -0.470 0.000 0.787 203 E CB 1.956 31.474 29.700 -0.303 0.000 1.307 203 E HN 0.509 nan 8.360 nan 0.000 0.458 204 A N 1.202 123.461 122.820 -0.935 0.000 1.883 204 A HA -0.199 4.123 4.320 0.003 0.000 0.217 204 A C 1.823 179.197 177.584 -0.351 0.000 1.186 204 A CA 1.740 53.422 52.037 -0.592 0.000 0.624 204 A CB -0.380 18.392 19.000 -0.381 0.000 0.822 204 A HN 0.400 nan 8.150 nan 0.000 0.444 205 L N 0.136 121.168 121.223 -0.319 0.000 2.109 205 L HA 0.045 4.387 4.340 0.003 0.000 0.207 205 L C -0.803 175.994 176.870 -0.121 0.000 1.086 205 L CA 1.762 56.454 54.840 -0.246 0.000 0.760 205 L CB -1.296 40.631 42.059 -0.221 0.000 0.910 205 L HN 0.135 nan 8.230 nan 0.000 0.437 206 P HA -0.122 nan 4.420 nan 0.000 0.216 206 P C 2.139 179.666 177.300 0.379 0.000 1.153 206 P CA 1.569 64.753 63.100 0.139 0.000 0.848 206 P CB 0.071 31.801 31.700 0.051 0.000 0.787 207 I N -0.394 120.359 120.570 0.305 0.000 2.099 207 I HA -0.305 3.867 4.170 0.003 0.000 0.239 207 I C 2.376 178.588 176.117 0.158 0.000 1.066 207 I CA 1.673 63.167 61.300 0.324 0.000 1.324 207 I CB -1.094 37.039 38.000 0.221 0.000 1.037 207 I HN -0.088 nan 8.210 nan 0.000 0.401 208 A N 0.979 123.819 122.820 0.033 0.000 1.884 208 A HA -0.317 4.004 4.320 0.003 0.000 0.219 208 A C 2.538 180.110 177.584 -0.019 0.000 1.197 208 A CA 2.653 54.671 52.037 -0.032 0.000 0.637 208 A CB -1.137 17.777 19.000 -0.143 0.000 0.827 208 A HN 0.500 nan 8.150 nan 0.000 0.450 209 A N -1.919 120.877 122.820 -0.040 0.000 1.933 209 A HA 0.011 4.333 4.320 0.003 0.000 0.218 209 A C 1.949 179.477 177.584 -0.093 0.000 1.175 209 A CA 1.660 53.629 52.037 -0.112 0.000 0.628 209 A CB -0.649 18.223 19.000 -0.214 0.000 0.814 209 A HN 0.484 nan 8.150 nan 0.000 0.444 210 F N 0.795 120.797 119.950 0.087 0.000 2.416 210 F HA -0.039 4.490 4.527 0.003 0.000 0.296 210 F C 2.603 178.407 175.800 0.006 0.000 1.099 210 F CA 1.342 59.410 58.000 0.113 0.000 1.427 210 F CB -0.015 39.091 39.000 0.177 0.000 1.079 210 F HN 0.286 nan 8.300 nan 0.000 0.536 211 S N -1.469 114.299 115.700 0.114 0.000 2.528 211 S HA -0.016 4.455 4.470 0.003 0.000 0.219 211 S C 1.770 176.380 174.600 0.016 0.000 0.985 211 S CA 0.195 58.402 58.200 0.011 0.000 0.914 211 S CB -0.182 62.997 63.200 -0.035 0.000 0.776 211 S HN 0.097 nan 8.310 nan 0.000 0.526 212 M N 1.322 120.935 119.600 0.022 0.000 2.476 212 M HA 0.270 4.752 4.480 0.003 0.000 0.262 212 M C 1.665 177.973 176.300 0.015 0.000 1.079 212 M CA 0.955 56.257 55.300 0.004 0.000 1.104 212 M CB -1.234 31.355 32.600 -0.019 0.000 1.409 212 M HN 0.414 nan 8.290 nan 0.000 0.467 213 M N -1.048 118.582 119.600 0.049 0.000 2.541 213 M HA 0.046 4.528 4.480 0.003 0.000 0.252 213 M C 0.241 176.575 176.300 0.057 0.000 1.125 213 M CA 0.321 55.660 55.300 0.065 0.000 1.091 213 M CB 0.106 32.790 32.600 0.141 0.000 1.420 213 M HN 0.168 nan 8.290 nan 0.000 0.486 214 R N -0.773 119.751 120.500 0.040 0.000 3.776 214 R HA -0.173 4.169 4.340 0.003 0.000 0.312 214 R C 0.366 176.671 176.300 0.009 0.000 1.181 214 R CA 0.399 56.503 56.100 0.007 0.000 0.836 214 R CB -2.495 27.806 30.300 0.001 0.000 1.324 214 R HN 0.508 nan 8.270 nan 0.000 0.501 215 A N 0.038 122.886 122.820 0.046 0.000 2.465 215 A HA 0.339 4.661 4.320 0.003 0.000 0.255 215 A C 0.651 178.168 177.584 -0.111 0.000 1.274 215 A CA -0.159 51.926 52.037 0.080 0.000 0.920 215 A CB 0.366 19.532 19.000 0.277 0.000 1.033 215 A HN 0.164 nan 8.150 nan 0.000 0.516 216 M N 0.379 119.784 119.600 -0.324 0.000 2.363 216 M HA 0.284 4.766 4.480 0.003 0.000 0.343 216 M C 0.435 176.517 176.300 -0.365 0.000 1.165 216 M CA -0.323 54.576 55.300 -0.669 0.000 1.046 216 M CB 1.698 33.840 32.600 -0.763 0.000 1.648 216 M HN 0.194 nan 8.290 nan 0.000 0.452 217 S N 0.908 116.395 115.700 -0.355 0.000 2.560 217 S HA 0.100 4.572 4.470 0.003 0.000 0.284 217 S C 0.737 175.236 174.600 -0.169 0.000 1.327 217 S CA -0.087 57.995 58.200 -0.196 0.000 1.055 217 S CB 0.264 63.372 63.200 -0.153 0.000 0.868 217 S HN 0.806 nan 8.310 nan 0.000 0.506 218 T N 2.182 116.673 114.554 -0.104 0.000 3.293 218 T HA 0.313 4.664 4.350 0.003 0.000 0.276 218 T C 0.349 175.021 174.700 -0.047 0.000 1.003 218 T CA -0.499 61.557 62.100 -0.073 0.000 0.916 218 T CB -0.172 68.663 68.868 -0.055 0.000 1.134 218 T HN 0.569 nan 8.240 nan 0.000 0.530 219 R N 1.531 122.001 120.500 -0.049 0.000 4.390 219 R HA 0.296 4.638 4.340 0.003 0.000 0.229 219 R C 0.084 176.371 176.300 -0.022 0.000 1.674 219 R CA -0.114 55.968 56.100 -0.030 0.000 1.526 219 R CB -0.550 29.733 30.300 -0.028 0.000 1.418 219 R HN 0.508 nan 8.270 nan 0.000 0.790 220 N N 0.268 118.958 118.700 -0.016 0.000 2.396 220 N HA -0.149 4.592 4.740 0.003 0.000 0.180 220 N C 0.887 176.399 175.510 0.005 0.000 1.028 220 N CA 0.915 53.961 53.050 -0.005 0.000 0.893 220 N CB 0.196 38.685 38.487 0.003 0.000 0.967 220 N HN 0.511 nan 8.380 nan 0.000 0.440 221 D N 1.122 121.524 120.400 0.004 0.000 2.219 221 D HA -0.145 4.496 4.640 0.003 0.000 0.205 221 D C 0.004 176.311 176.300 0.011 0.000 0.970 221 D CA 1.059 55.064 54.000 0.008 0.000 0.851 221 D CB -0.102 40.702 40.800 0.006 0.000 0.943 221 D HN 0.360 nan 8.370 nan 0.000 0.488 222 E N 0.444 120.648 120.200 0.007 0.000 3.386 222 E HA 0.192 4.544 4.350 0.003 0.000 0.236 222 E C -2.167 174.438 176.600 0.008 0.000 1.227 222 E CA -1.623 54.784 56.400 0.011 0.000 0.970 222 E CB 1.914 31.619 29.700 0.008 0.000 1.343 222 E HN -0.044 nan 8.360 nan 0.000 0.397 223 P HA -0.257 nan 4.420 nan 0.000 0.217 223 P C 0.856 178.158 177.300 0.002 0.000 1.151 223 P CA 1.410 64.510 63.100 -0.000 0.000 0.849 223 P CB 0.262 31.970 31.700 0.014 0.000 0.787 224 E N -0.933 119.278 120.200 0.019 0.000 2.358 224 E HA -0.051 4.301 4.350 0.003 0.000 0.195 224 E C 1.501 178.113 176.600 0.020 0.000 1.010 224 E CA 0.572 56.987 56.400 0.024 0.000 0.856 224 E CB -0.196 29.525 29.700 0.035 0.000 0.795 224 E HN 0.409 nan 8.360 nan 0.000 0.504 225 R N 0.091 120.599 120.500 0.014 0.000 2.432 225 R HA 0.280 4.622 4.340 0.003 0.000 0.260 225 R C 1.680 177.984 176.300 0.006 0.000 0.935 225 R CA 0.299 56.408 56.100 0.015 0.000 1.080 225 R CB 0.512 30.820 30.300 0.014 0.000 1.155 225 R HN 0.018 nan 8.270 nan 0.000 0.531 226 A N 1.016 123.834 122.820 -0.005 0.000 1.903 226 A HA -0.011 4.311 4.320 0.003 0.000 0.213 226 A C 1.337 178.908 177.584 -0.021 0.000 1.185 226 A CA 0.623 52.648 52.037 -0.020 0.000 0.628 226 A CB 0.100 19.077 19.000 -0.038 0.000 0.830 226 A HN 0.160 nan 8.150 nan 0.000 0.446 227 S N 0.922 116.613 115.700 -0.014 0.000 2.416 227 S HA 0.332 4.804 4.470 0.003 0.000 0.302 227 S C 0.006 174.606 174.600 -0.000 0.000 1.120 227 S CA -0.570 57.622 58.200 -0.014 0.000 1.067 227 S CB -0.425 62.766 63.200 -0.015 0.000 1.057 227 S HN 0.392 nan 8.310 nan 0.000 0.518 228 R N 4.902 125.402 120.500 0.001 0.000 2.835 228 R HA 0.289 4.631 4.340 0.003 0.000 0.290 228 R C -2.805 173.510 176.300 0.026 0.000 1.410 228 R CA -1.784 54.338 56.100 0.036 0.000 1.590 228 R CB 0.658 30.985 30.300 0.045 0.000 1.288 228 R HN 0.446 nan 8.270 nan 0.000 0.637 229 P HA -0.042 nan 4.420 nan 0.000 0.265 229 P C -0.040 177.252 177.300 -0.013 0.000 1.193 229 P CA 0.222 63.215 63.100 -0.178 0.000 0.765 229 P CB 0.288 31.840 31.700 -0.248 0.000 0.823 230 F N -1.478 118.505 119.950 0.054 0.000 2.890 230 F HA -0.262 4.267 4.527 0.003 0.000 0.346 230 F C 0.750 176.711 175.800 0.268 0.000 0.660 230 F CA 1.346 59.403 58.000 0.094 0.000 1.091 230 F CB -2.388 36.583 39.000 -0.047 0.000 1.535 230 F HN 0.280 nan 8.300 nan 0.000 0.314 231 D N 0.383 120.995 120.400 0.354 0.000 2.302 231 D HA 0.252 4.894 4.640 0.003 0.000 0.248 231 D C 1.109 177.494 176.300 0.141 0.000 1.094 231 D CA -0.117 54.042 54.000 0.265 0.000 0.897 231 D CB 1.223 42.130 40.800 0.178 0.000 1.200 231 D HN 0.140 nan 8.370 nan 0.000 0.429 232 K N 1.481 121.937 120.400 0.093 0.000 2.211 232 K HA -0.094 4.228 4.320 0.003 0.000 0.204 232 K C 0.027 176.650 176.600 0.037 0.000 1.047 232 K CA 1.122 57.445 56.287 0.059 0.000 0.935 232 K CB 0.232 32.752 32.500 0.033 0.000 0.728 232 K HN 0.456 nan 8.250 nan 0.000 0.452 233 D N 1.291 121.709 120.400 0.030 0.000 2.722 233 D HA 0.000 4.642 4.640 0.003 0.000 0.239 233 D C -0.485 175.824 176.300 0.016 0.000 1.249 233 D CA -0.050 53.960 54.000 0.017 0.000 0.830 233 D CB 0.171 40.975 40.800 0.007 0.000 1.025 233 D HN 0.331 nan 8.370 nan 0.000 0.486 234 R N 1.043 121.555 120.500 0.021 0.000 2.539 234 R HA 0.221 4.563 4.340 0.003 0.000 0.275 234 R C -0.061 176.237 176.300 -0.004 0.000 1.077 234 R CA -0.180 55.924 56.100 0.007 0.000 1.097 234 R CB 0.664 30.964 30.300 -0.000 0.000 1.018 234 R HN -0.183 nan 8.270 nan 0.000 0.483 235 D N 0.616 121.006 120.400 -0.016 0.000 2.837 235 D HA 0.226 4.868 4.640 0.003 0.000 0.340 235 D C 0.260 176.534 176.300 -0.043 0.000 1.451 235 D CA 0.005 53.990 54.000 -0.025 0.000 0.798 235 D CB 0.342 41.124 40.800 -0.030 0.000 1.169 235 D HN 0.929 nan 8.370 nan 0.000 0.449 236 G N 0.329 109.114 108.800 -0.025 0.000 2.498 236 G HA2 0.148 4.110 3.960 0.003 0.000 0.651 236 G HA3 0.148 4.110 3.960 0.003 0.000 0.651 236 G C -0.619 174.264 174.900 -0.028 0.000 1.284 236 G CA -0.617 44.468 45.100 -0.025 0.000 0.950 236 G HN 0.438 nan 8.290 nan 0.000 0.511 237 F N -0.780 119.108 119.950 -0.104 0.000 2.408 237 F HA 0.869 5.398 4.527 0.002 0.000 0.325 237 F C 0.111 175.792 175.800 -0.199 0.000 1.082 237 F CA -1.498 56.421 58.000 -0.134 0.000 1.032 237 F CB 1.643 40.581 39.000 -0.104 0.000 1.259 237 F HN 0.483 nan 8.300 nan 0.000 0.503 238 V N 2.929 122.885 119.914 0.071 0.000 2.495 238 V HA 0.281 4.402 4.120 0.003 0.000 0.298 238 V C -0.557 175.636 176.094 0.166 0.000 1.031 238 V CA -0.753 61.523 62.300 -0.039 0.000 0.871 238 V CB 1.261 33.071 31.823 -0.023 0.000 0.988 238 V HN 0.628 nan 8.190 nan 0.000 0.432 239 F N 2.816 122.805 119.950 0.066 0.000 2.538 239 F HA 0.553 5.081 4.527 0.002 0.000 0.371 239 F C 1.040 176.831 175.800 -0.016 0.000 1.087 239 F CA -0.217 57.812 58.000 0.048 0.000 1.250 239 F CB 0.877 39.862 39.000 -0.025 0.000 1.110 239 F HN 0.543 nan 8.300 nan 0.000 0.570 240 G N 3.989 112.926 108.800 0.228 0.000 2.737 240 G HA2 0.392 4.354 3.960 0.003 0.000 0.290 240 G HA3 0.392 4.354 3.960 0.003 0.000 0.290 240 G C -1.075 173.872 174.900 0.079 0.000 1.482 240 G CA -0.699 44.462 45.100 0.101 0.000 1.017 240 G HN 0.519 nan 8.290 nan 0.000 0.529 241 E N 0.347 120.578 120.200 0.053 0.000 2.373 241 E HA 0.539 4.891 4.350 0.003 0.000 0.267 241 E C 0.274 176.925 176.600 0.085 0.000 1.032 241 E CA 0.332 56.766 56.400 0.058 0.000 0.889 241 E CB 1.505 31.257 29.700 0.087 0.000 0.984 241 E HN 0.769 nan 8.360 nan 0.000 0.425 242 A N 1.540 124.411 122.820 0.085 0.000 2.567 242 A HA 0.732 5.054 4.320 0.003 0.000 0.291 242 A C -0.968 176.666 177.584 0.082 0.000 1.048 242 A CA -0.156 51.931 52.037 0.082 0.000 0.661 242 A CB 1.823 20.861 19.000 0.063 0.000 1.288 242 A HN 0.623 nan 8.150 nan 0.000 0.424 243 G N -1.049 107.792 108.800 0.068 0.000 2.742 243 G HA2 0.955 4.916 3.960 0.003 0.000 0.296 243 G HA3 0.955 4.916 3.960 0.003 0.000 0.296 243 G C -0.847 174.077 174.900 0.039 0.000 1.436 243 G CA 0.377 45.510 45.100 0.054 0.000 0.928 243 G HN 2.257 nan 8.290 nan 0.000 0.520 244 A N 0.624 123.464 122.820 0.032 0.000 2.589 244 A HA 0.855 5.176 4.320 0.003 0.000 0.296 244 A C -1.539 176.063 177.584 0.030 0.000 1.062 244 A CA -0.518 51.535 52.037 0.027 0.000 0.686 244 A CB 1.284 20.296 19.000 0.019 0.000 1.282 244 A HN 0.935 nan 8.150 nan 0.000 0.404 245 L N 1.635 122.878 121.223 0.033 0.000 2.393 245 L HA 0.824 5.166 4.340 0.003 0.000 0.260 245 L C -0.404 176.497 176.870 0.051 0.000 1.002 245 L CA -0.680 54.190 54.840 0.050 0.000 0.818 245 L CB 2.387 44.483 42.059 0.062 0.000 1.369 245 L HN 0.993 nan 8.230 nan 0.000 0.412 246 M N 1.768 121.410 119.600 0.070 0.000 2.550 246 M HA 0.644 5.126 4.480 0.003 0.000 0.292 246 M C -1.842 174.520 176.300 0.104 0.000 1.221 246 M CA -0.821 54.521 55.300 0.069 0.000 0.873 246 M CB 2.661 35.299 32.600 0.063 0.000 1.727 246 M HN 0.357 nan 8.290 nan 0.000 0.459 247 L N 4.254 125.533 121.223 0.094 0.000 2.296 247 L HA 0.756 5.098 4.340 0.003 0.000 0.286 247 L C -0.996 175.927 176.870 0.088 0.000 1.023 247 L CA -0.523 54.385 54.840 0.114 0.000 0.812 247 L CB 1.296 43.410 42.059 0.092 0.000 1.223 247 L HN 0.825 nan 8.230 nan 0.000 0.421 248 I N 2.109 122.742 120.570 0.105 0.000 2.693 248 I HA 0.834 5.006 4.170 0.003 0.000 0.303 248 I C -1.075 175.077 176.117 0.059 0.000 1.025 248 I CA -0.399 60.956 61.300 0.092 0.000 1.086 248 I CB 2.167 40.241 38.000 0.124 0.000 1.268 248 I HN 0.800 nan 8.210 nan 0.000 0.440 249 E N 1.985 122.213 120.200 0.048 0.000 2.437 249 E HA 0.330 4.682 4.350 0.003 0.000 0.280 249 E C -1.121 175.510 176.600 0.052 0.000 1.044 249 E CA -1.041 55.365 56.400 0.011 0.000 0.826 249 E CB 1.271 30.974 29.700 0.006 0.000 1.358 249 E HN 0.735 nan 8.360 nan 0.000 0.459 250 T N -1.933 112.652 114.554 0.053 0.000 2.937 250 T HA -0.021 4.331 4.350 0.003 0.000 0.316 250 T C 0.967 175.728 174.700 0.102 0.000 1.079 250 T CA 0.161 62.310 62.100 0.082 0.000 1.131 250 T CB 1.188 70.106 68.868 0.084 0.000 1.000 250 T HN 0.745 nan 8.240 nan 0.000 0.549 251 E N 0.491 120.751 120.200 0.100 0.000 2.204 251 E HA -0.216 4.136 4.350 0.003 0.000 0.195 251 E C 1.939 178.588 176.600 0.082 0.000 0.990 251 E CA 1.214 57.671 56.400 0.094 0.000 0.821 251 E CB 0.020 29.802 29.700 0.136 0.000 0.750 251 E HN 0.892 nan 8.360 nan 0.000 0.477 252 E N -0.170 120.082 120.200 0.087 0.000 2.046 252 E HA -0.238 4.114 4.350 0.003 0.000 0.190 252 E C 2.130 178.767 176.600 0.061 0.000 0.982 252 E CA 0.770 57.211 56.400 0.068 0.000 0.800 252 E CB -0.235 29.505 29.700 0.067 0.000 0.756 252 E HN 0.418 nan 8.360 nan 0.000 0.449 253 H N 0.085 119.158 119.070 0.005 0.000 2.352 253 H HA -0.094 4.464 4.556 0.003 0.000 0.299 253 H C 1.790 177.102 175.328 -0.028 0.000 1.097 253 H CA 1.737 57.780 56.048 -0.009 0.000 1.311 253 H CB 0.113 29.871 29.762 -0.006 0.000 1.377 253 H HN 0.284 nan 8.280 nan 0.000 0.504 254 A N 1.319 124.184 122.820 0.075 0.000 1.898 254 A HA -0.111 4.211 4.320 0.003 0.000 0.216 254 A C 2.412 179.963 177.584 -0.055 0.000 1.181 254 A CA 1.319 53.355 52.037 -0.001 0.000 0.620 254 A CB -0.368 18.625 19.000 -0.010 0.000 0.819 254 A HN 0.250 nan 8.150 nan 0.000 0.442 255 K N 0.384 120.767 120.400 -0.028 0.000 2.211 255 K HA 0.007 4.329 4.320 0.003 0.000 0.203 255 K C 1.688 178.257 176.600 -0.052 0.000 1.050 255 K CA 1.279 57.553 56.287 -0.023 0.000 0.945 255 K CB -0.345 32.163 32.500 0.013 0.000 0.732 255 K HN 0.352 nan 8.250 nan 0.000 0.451 256 A N 1.506 124.273 122.820 -0.089 0.000 2.238 256 A HA -0.040 4.282 4.320 0.003 0.000 0.208 256 A C 1.681 179.175 177.584 -0.150 0.000 1.177 256 A CA 0.470 52.439 52.037 -0.114 0.000 0.804 256 A CB -0.196 18.724 19.000 -0.133 0.000 0.823 256 A HN 0.506 nan 8.150 nan 0.000 0.482 257 R N -2.814 117.590 120.500 -0.159 0.000 2.521 257 R HA 0.392 4.734 4.340 0.003 0.000 0.289 257 R C 0.882 177.116 176.300 -0.111 0.000 0.936 257 R CA 0.649 56.658 56.100 -0.153 0.000 1.089 257 R CB -0.323 29.854 30.300 -0.206 0.000 1.348 257 R HN 0.710 nan 8.270 nan 0.000 0.536 258 G N 0.874 109.620 108.800 -0.090 0.000 2.204 258 G HA2 -0.210 3.752 3.960 0.003 0.000 0.244 258 G HA3 -0.210 3.752 3.960 0.003 0.000 0.244 258 G C 0.061 174.915 174.900 -0.077 0.000 1.062 258 G CA -0.005 45.053 45.100 -0.069 0.000 0.798 258 G HN 0.653 nan 8.290 nan 0.000 0.496 259 A N -0.405 122.362 122.820 -0.089 0.000 2.327 259 A HA 0.774 5.096 4.320 0.003 0.000 0.283 259 A C 0.418 177.934 177.584 -0.113 0.000 1.127 259 A CA -0.163 51.814 52.037 -0.101 0.000 0.810 259 A CB 0.921 19.859 19.000 -0.103 0.000 1.066 259 A HN 0.714 nan 8.150 nan 0.000 0.492 260 K N 3.115 123.447 120.400 -0.112 0.000 2.267 260 K HA 0.472 4.794 4.320 0.003 0.000 0.282 260 K C -2.834 173.648 176.600 -0.197 0.000 1.078 260 K CA -2.271 53.938 56.287 -0.131 0.000 0.903 260 K CB 0.483 32.941 32.500 -0.070 0.000 1.111 260 K HN 0.316 nan 8.250 nan 0.000 0.475 261 P HA 0.060 nan 4.420 nan 0.000 0.271 261 P C -0.092 177.064 177.300 -0.240 0.000 1.220 261 P CA -0.025 62.817 63.100 -0.431 0.000 0.768 261 P CB 0.610 31.701 31.700 -1.016 0.000 0.848 262 L N 1.324 122.477 121.223 -0.117 0.000 2.416 262 L HA 0.469 4.811 4.340 0.003 0.000 0.216 262 L C 1.007 177.878 176.870 0.003 0.000 1.098 262 L CA 0.319 55.126 54.840 -0.054 0.000 0.840 262 L CB -0.264 41.748 42.059 -0.079 0.000 0.981 262 L HN 0.389 nan 8.230 nan 0.000 0.462 263 A N -0.062 122.780 122.820 0.037 0.000 2.483 263 A HA 0.692 5.014 4.320 0.003 0.000 0.294 263 A C -1.286 176.409 177.584 0.185 0.000 1.077 263 A CA -0.779 51.341 52.037 0.139 0.000 0.633 263 A CB 1.000 20.078 19.000 0.130 0.000 1.318 263 A HN 0.053 nan 8.150 nan 0.000 0.455 264 R N -0.549 120.101 120.500 0.250 0.000 2.589 264 R HA 0.651 4.993 4.340 0.003 0.000 0.293 264 R C -1.399 174.997 176.300 0.160 0.000 0.963 264 R CA -0.748 55.483 56.100 0.219 0.000 0.905 264 R CB 1.842 32.283 30.300 0.236 0.000 1.144 264 R HN 0.494 nan 8.270 nan 0.000 0.459 265 L N 3.913 125.164 121.223 0.046 0.000 2.287 265 L HA 0.316 4.657 4.340 0.003 0.000 0.287 265 L C -0.227 176.500 176.870 -0.238 0.000 1.022 265 L CA 0.151 54.829 54.840 -0.270 0.000 0.814 265 L CB 1.190 43.117 42.059 -0.219 0.000 1.217 265 L HN 0.750 nan 8.230 nan 0.000 0.420 266 L N 4.103 125.061 121.223 -0.443 0.000 2.609 266 L HA 0.602 4.944 4.340 0.003 0.000 0.230 266 L C 0.861 177.401 176.870 -0.550 0.000 1.064 266 L CA 0.335 55.030 54.840 -0.242 0.000 0.873 266 L CB 0.340 42.335 42.059 -0.106 0.000 1.139 266 L HN 0.754 nan 8.230 nan 0.000 0.490 267 G N -0.320 107.824 108.800 -1.093 0.000 2.451 267 G HA2 0.675 4.637 3.960 0.003 0.000 0.292 267 G HA3 0.675 4.637 3.960 0.003 0.000 0.292 267 G C -2.206 172.026 174.900 -1.112 0.000 1.427 267 G CA 0.135 44.425 45.100 -1.350 0.000 0.792 267 G HN 0.067 nan 8.290 nan 0.000 0.498 268 A N -1.294 121.033 122.820 -0.822 0.000 2.589 268 A HA 0.957 5.278 4.320 0.003 0.000 0.296 268 A C -0.294 177.155 177.584 -0.226 0.000 1.062 268 A CA 0.063 51.829 52.037 -0.453 0.000 0.686 268 A CB 1.774 20.533 19.000 -0.402 0.000 1.282 268 A HN 2.223 nan 8.150 nan 0.000 0.404 269 G N 0.449 109.161 108.800 -0.146 0.000 2.643 269 G HA2 0.624 4.586 3.960 0.003 0.000 0.305 269 G HA3 0.624 4.586 3.960 0.003 0.000 0.305 269 G C -1.046 173.831 174.900 -0.037 0.000 1.387 269 G CA -0.441 44.621 45.100 -0.063 0.000 0.982 269 G HN 0.699 nan 8.290 nan 0.000 0.501 270 I N 2.261 122.825 120.570 -0.009 0.000 2.418 270 I HA 0.512 4.684 4.170 0.003 0.000 0.287 270 I C 0.395 176.548 176.117 0.061 0.000 1.008 270 I CA -0.682 60.632 61.300 0.024 0.000 1.104 270 I CB 2.270 40.276 38.000 0.008 0.000 1.264 270 I HN 0.650 nan 8.210 nan 0.000 0.438 271 T N 1.630 116.236 114.554 0.087 0.000 2.693 271 T HA 0.823 5.175 4.350 0.003 0.000 0.278 271 T C -0.373 174.390 174.700 0.106 0.000 0.994 271 T CA -0.719 61.432 62.100 0.085 0.000 1.033 271 T CB 2.021 70.928 68.868 0.065 0.000 1.342 271 T HN 0.621 nan 8.240 nan 0.000 0.538 272 S N -0.902 114.842 115.700 0.074 0.000 2.550 272 S HA 0.502 4.974 4.470 0.003 0.000 0.270 272 S C -0.566 174.050 174.600 0.025 0.000 1.145 272 S CA -0.757 57.475 58.200 0.052 0.000 0.852 272 S CB 1.776 65.005 63.200 0.050 0.000 1.119 272 S HN 0.609 nan 8.310 nan 0.000 0.465 273 D N 1.292 121.699 120.400 0.013 0.000 2.213 273 D HA 0.239 4.881 4.640 0.003 0.000 0.205 273 D C 1.356 177.700 176.300 0.072 0.000 0.961 273 D CA 1.399 55.422 54.000 0.037 0.000 0.853 273 D CB -0.430 40.414 40.800 0.074 0.000 0.967 273 D HN 1.203 nan 8.370 nan 0.000 0.496 274 A N -0.022 122.825 122.820 0.045 0.000 2.462 274 A HA -0.255 4.066 4.320 0.003 0.000 0.294 274 A C 0.637 178.296 177.584 0.124 0.000 1.461 274 A CA 0.982 53.046 52.037 0.044 0.000 0.765 274 A CB -2.074 16.946 19.000 0.033 0.000 1.071 274 A HN 0.381 nan 8.150 nan 0.000 0.401 275 F N -0.599 119.330 119.950 -0.034 0.000 2.362 275 F HA 0.401 4.930 4.527 0.003 0.000 0.264 275 F C 0.821 176.640 175.800 0.032 0.000 0.905 275 F CA 1.140 59.138 58.000 -0.005 0.000 1.142 275 F CB 0.334 39.331 39.000 -0.005 0.000 1.250 275 F HN 0.548 nan 8.300 nan 0.000 0.771 276 H N 0.304 119.094 119.070 -0.466 0.000 2.894 276 H HA 0.348 4.906 4.556 0.003 0.000 0.368 276 H C 0.577 175.743 175.328 -0.270 0.000 1.181 276 H CA -0.531 55.182 56.048 -0.558 0.000 1.146 276 H CB 2.194 31.508 29.762 -0.747 0.000 1.839 276 H HN 0.093 nan 8.280 nan 0.000 0.557 277 M N 2.203 121.399 119.600 -0.674 0.000 2.254 277 M HA -0.069 4.412 4.480 0.003 0.000 0.265 277 M C 1.640 177.817 176.300 -0.205 0.000 1.066 277 M CA 1.244 56.325 55.300 -0.366 0.000 1.123 277 M CB -0.256 32.099 32.600 -0.408 0.000 1.388 277 M HN 0.544 nan 8.290 nan 0.000 0.425 278 V N -4.451 115.406 119.914 -0.095 0.000 3.408 278 V HA 0.513 4.635 4.120 0.003 0.000 0.263 278 V C 0.832 176.745 176.094 -0.301 0.000 1.503 278 V CA -0.073 61.909 62.300 -0.531 0.000 1.046 278 V CB -0.603 30.678 31.823 -0.903 0.000 0.851 278 V HN 0.108 nan 8.190 nan 0.000 0.435 279 A N 3.156 125.981 122.820 0.007 0.000 2.310 279 A HA 0.832 5.153 4.320 0.003 0.000 0.299 279 A C -2.406 175.285 177.584 0.178 0.000 1.147 279 A CA -1.673 50.360 52.037 -0.007 0.000 0.818 279 A CB 0.174 19.050 19.000 -0.205 0.000 1.096 279 A HN 0.358 nan 8.150 nan 0.000 0.495 280 P HA 0.292 nan 4.420 nan 0.000 0.274 280 P C -0.217 177.139 177.300 0.095 0.000 1.237 280 P CA -0.053 63.102 63.100 0.091 0.000 0.793 280 P CB 0.792 32.472 31.700 -0.034 0.000 0.977 281 A N 1.897 124.672 122.820 -0.075 0.000 2.492 281 A HA 0.366 4.688 4.320 0.003 0.000 0.254 281 A C 1.717 179.059 177.584 -0.404 0.000 1.091 281 A CA 0.272 52.013 52.037 -0.494 0.000 0.768 281 A CB -0.409 18.365 19.000 -0.376 0.000 1.028 281 A HN 0.602 nan 8.150 nan 0.000 0.498 282 A N 2.544 125.065 122.820 -0.500 0.000 1.917 282 A HA -0.211 4.111 4.320 0.003 0.000 0.219 282 A C 1.526 178.988 177.584 -0.202 0.000 1.182 282 A CA 2.170 54.044 52.037 -0.272 0.000 0.633 282 A CB -0.620 18.235 19.000 -0.242 0.000 0.819 282 A HN 0.912 nan 8.150 nan 0.000 0.448 283 D N -1.755 118.509 120.400 -0.226 0.000 2.363 283 D HA 0.207 4.849 4.640 0.003 0.000 0.220 283 D C 1.306 177.531 176.300 -0.126 0.000 0.994 283 D CA 0.969 54.879 54.000 -0.150 0.000 0.890 283 D CB -0.995 39.722 40.800 -0.139 0.000 0.906 283 D HN 0.826 nan 8.370 nan 0.000 0.530 284 G N -0.024 108.681 108.800 -0.158 0.000 2.200 284 G HA2 -0.370 3.592 3.960 0.003 0.000 0.267 284 G HA3 -0.370 3.592 3.960 0.003 0.000 0.267 284 G C 1.127 175.958 174.900 -0.115 0.000 0.993 284 G CA 0.706 45.715 45.100 -0.152 0.000 0.701 284 G HN 0.373 nan 8.290 nan 0.000 0.524 285 V N 0.375 120.229 119.914 -0.101 0.000 2.237 285 V HA -0.172 3.949 4.120 0.003 0.000 0.245 285 V C 2.952 179.017 176.094 -0.048 0.000 1.046 285 V CA 2.497 64.758 62.300 -0.064 0.000 1.007 285 V CB -0.392 31.396 31.823 -0.059 0.000 0.638 285 V HN 0.429 nan 8.190 nan 0.000 0.445 286 R N 0.276 120.743 120.500 -0.055 0.000 2.096 286 R HA -0.054 4.288 4.340 0.003 0.000 0.235 286 R C 2.279 178.572 176.300 -0.012 0.000 1.127 286 R CA 1.545 57.630 56.100 -0.025 0.000 0.968 286 R CB -1.405 28.883 30.300 -0.020 0.000 0.861 286 R HN 0.560 nan 8.270 nan 0.000 0.440 287 A N 0.319 123.097 122.820 -0.069 0.000 1.873 287 A HA -0.031 4.290 4.320 0.003 0.000 0.215 287 A C 2.431 180.061 177.584 0.076 0.000 1.186 287 A CA 1.726 53.737 52.037 -0.042 0.000 0.616 287 A CB -1.131 17.605 19.000 -0.440 0.000 0.823 287 A HN 0.393 nan 8.150 nan 0.000 0.442 288 G N -0.344 108.467 108.800 0.019 0.000 2.442 288 G HA2 -0.296 3.665 3.960 0.003 0.000 0.219 288 G HA3 -0.296 3.665 3.960 0.003 0.000 0.219 288 G C 1.678 176.600 174.900 0.037 0.000 1.141 288 G CA 1.388 46.511 45.100 0.038 0.000 0.763 288 G HN 0.539 nan 8.290 nan 0.000 0.554 289 R N 1.237 121.753 120.500 0.026 0.000 2.096 289 R HA 0.129 4.471 4.340 0.003 0.000 0.235 289 R C 2.677 178.997 176.300 0.033 0.000 1.127 289 R CA 1.774 57.888 56.100 0.023 0.000 0.968 289 R CB -0.851 29.459 30.300 0.017 0.000 0.861 289 R HN 0.231 nan 8.270 nan 0.000 0.440 290 A N 0.589 123.444 122.820 0.058 0.000 1.883 290 A HA -0.180 4.142 4.320 0.003 0.000 0.217 290 A C 2.258 179.858 177.584 0.026 0.000 1.186 290 A CA 1.931 54.002 52.037 0.057 0.000 0.624 290 A CB -0.541 18.529 19.000 0.115 0.000 0.822 290 A HN 0.430 nan 8.150 nan 0.000 0.444 291 M N -0.941 118.685 119.600 0.044 0.000 2.065 291 M HA -0.160 4.322 4.480 0.003 0.000 0.259 291 M C 2.300 178.593 176.300 -0.011 0.000 1.069 291 M CA 2.153 57.460 55.300 0.012 0.000 1.110 291 M CB -1.114 31.507 32.600 0.035 0.000 1.328 291 M HN 0.411 nan 8.290 nan 0.000 0.405 292 T N -0.076 114.479 114.554 0.001 0.000 2.665 292 T HA -0.199 4.153 4.350 0.003 0.000 0.268 292 T C 1.826 176.519 174.700 -0.012 0.000 1.035 292 T CA 1.804 63.901 62.100 -0.006 0.000 1.151 292 T CB -0.346 68.524 68.868 0.003 0.000 0.862 292 T HN 0.214 nan 8.240 nan 0.000 0.438 293 R N 1.798 122.294 120.500 -0.006 0.000 2.091 293 R HA -0.092 4.250 4.340 0.003 0.000 0.238 293 R C 2.593 178.872 176.300 -0.036 0.000 1.136 293 R CA 2.239 58.337 56.100 -0.004 0.000 0.959 293 R CB -1.054 29.250 30.300 0.006 0.000 0.856 293 R HN 0.511 nan 8.270 nan 0.000 0.437 294 S N -0.097 115.557 115.700 -0.077 0.000 2.382 294 S HA -0.120 4.352 4.470 0.003 0.000 0.228 294 S C 2.065 176.583 174.600 -0.137 0.000 1.027 294 S CA 1.412 59.519 58.200 -0.155 0.000 0.991 294 S CB -0.525 62.568 63.200 -0.179 0.000 0.823 294 S HN 0.394 nan 8.310 nan 0.000 0.469 295 L N 0.977 122.147 121.223 -0.088 0.000 2.109 295 L HA 0.027 4.369 4.340 0.003 0.000 0.207 295 L C 2.921 179.760 176.870 -0.051 0.000 1.086 295 L CA 1.404 56.193 54.840 -0.085 0.000 0.760 295 L CB -0.702 41.315 42.059 -0.070 0.000 0.910 295 L HN 0.380 nan 8.230 nan 0.000 0.437 296 E N 0.420 120.609 120.200 -0.019 0.000 2.153 296 E HA -0.190 4.162 4.350 0.003 0.000 0.194 296 E C 2.297 178.935 176.600 0.064 0.000 0.988 296 E CA 1.023 57.433 56.400 0.016 0.000 0.811 296 E CB -0.020 29.698 29.700 0.029 0.000 0.746 296 E HN 0.505 nan 8.360 nan 0.000 0.466 297 L N -0.094 121.181 121.223 0.086 0.000 2.209 297 L HA 0.023 4.365 4.340 0.003 0.000 0.207 297 L C 2.422 179.432 176.870 0.233 0.000 1.094 297 L CA 0.550 55.539 54.840 0.249 0.000 0.790 297 L CB -0.201 41.998 42.059 0.233 0.000 0.932 297 L HN 0.085 nan 8.230 nan 0.000 0.447 298 A N -0.201 122.641 122.820 0.036 0.000 2.119 298 A HA 0.184 4.505 4.320 0.003 0.000 0.216 298 A C 1.665 179.254 177.584 0.008 0.000 1.152 298 A CA 0.926 52.967 52.037 0.006 0.000 0.708 298 A CB -0.435 18.494 19.000 -0.119 0.000 0.805 298 A HN 0.509 nan 8.150 nan 0.000 0.460 299 G N -1.312 107.485 108.800 -0.004 0.000 2.171 299 G HA2 -0.163 3.798 3.960 0.003 0.000 0.238 299 G HA3 -0.163 3.798 3.960 0.003 0.000 0.238 299 G C -0.189 174.660 174.900 -0.086 0.000 1.039 299 G CA 0.294 45.379 45.100 -0.024 0.000 0.759 299 G HN 0.458 nan 8.290 nan 0.000 0.501 300 L N 0.664 121.811 121.223 -0.125 0.000 2.333 300 L HA 0.770 5.112 4.340 0.003 0.000 0.269 300 L C 0.924 177.726 176.870 -0.113 0.000 1.010 300 L CA -0.679 54.046 54.840 -0.191 0.000 0.818 300 L CB 2.091 43.959 42.059 -0.318 0.000 1.306 300 L HN 0.358 nan 8.230 nan 0.000 0.430 301 S N 0.140 115.783 115.700 -0.096 0.000 2.687 301 S HA 0.464 4.936 4.470 0.003 0.000 0.283 301 S C -2.192 172.381 174.600 -0.045 0.000 1.170 301 S CA -1.373 56.796 58.200 -0.052 0.000 1.008 301 S CB 1.453 64.636 63.200 -0.028 0.000 1.026 301 S HN 0.381 nan 8.310 nan 0.000 0.541 302 P HA 0.034 nan 4.420 nan 0.000 0.222 302 P C 1.162 178.467 177.300 0.009 0.000 1.147 302 P CA 1.261 64.355 63.100 -0.010 0.000 0.790 302 P CB -0.210 31.488 31.700 -0.004 0.000 0.780 303 A N -0.384 122.443 122.820 0.012 0.000 2.168 303 A HA -0.115 4.207 4.320 0.003 0.000 0.215 303 A C 1.519 179.139 177.584 0.059 0.000 1.152 303 A CA 1.294 53.350 52.037 0.032 0.000 0.716 303 A CB -0.808 18.208 19.000 0.027 0.000 0.794 303 A HN 0.078 nan 8.150 nan 0.000 0.465 304 D N -0.365 120.065 120.400 0.050 0.000 2.354 304 D HA 0.083 4.725 4.640 0.003 0.000 0.209 304 D C 0.113 176.543 176.300 0.216 0.000 1.015 304 D CA 0.172 54.244 54.000 0.119 0.000 0.867 304 D CB 0.125 40.905 40.800 -0.033 0.000 0.933 304 D HN 0.221 nan 8.370 nan 0.000 0.520 305 I N 2.158 122.805 120.570 0.128 0.000 2.379 305 I HA 0.027 4.199 4.170 0.003 0.000 0.290 305 I C 1.139 177.351 176.117 0.158 0.000 1.063 305 I CA -0.276 61.117 61.300 0.154 0.000 1.351 305 I CB 0.902 38.945 38.000 0.072 0.000 1.410 305 I HN -0.199 nan 8.210 nan 0.000 0.505 306 D N 3.521 124.050 120.400 0.215 0.000 2.240 306 D HA -0.040 4.602 4.640 0.003 0.000 0.206 306 D C 0.486 176.894 176.300 0.181 0.000 0.963 306 D CA 1.115 55.257 54.000 0.237 0.000 0.863 306 D CB 0.427 41.452 40.800 0.374 0.000 0.973 306 D HN 0.633 nan 8.370 nan 0.000 0.501 307 H N -0.472 118.594 119.070 -0.007 0.000 2.856 307 H HA 0.432 4.989 4.556 0.003 0.000 0.355 307 H C -1.740 173.562 175.328 -0.043 0.000 1.079 307 H CA -0.624 55.354 56.048 -0.118 0.000 1.240 307 H CB 1.421 30.967 29.762 -0.360 0.000 1.701 307 H HN -0.357 nan 8.280 nan 0.000 0.527 308 V N 5.507 125.037 119.914 -0.640 0.000 2.384 308 V HA 0.223 4.345 4.120 0.003 0.000 0.287 308 V C 0.014 175.685 176.094 -0.705 0.000 1.020 308 V CA -0.957 61.023 62.300 -0.532 0.000 0.850 308 V CB 1.250 32.940 31.823 -0.222 0.000 0.987 308 V HN 0.832 nan 8.190 nan 0.000 0.436 309 N N 4.007 122.392 118.700 -0.526 0.000 2.406 309 N HA 0.371 5.113 4.740 0.003 0.000 0.251 309 N C -0.173 175.273 175.510 -0.107 0.000 1.069 309 N CA -0.120 52.818 53.050 -0.187 0.000 0.947 309 N CB 1.636 40.125 38.487 0.004 0.000 1.111 309 N HN 0.805 nan 8.380 nan 0.000 0.497 310 A N 3.228 126.013 122.820 -0.058 0.000 2.301 310 A HA 0.158 4.480 4.320 0.003 0.000 0.298 310 A C 1.141 178.726 177.584 0.003 0.000 1.185 310 A CA -0.430 51.635 52.037 0.047 0.000 0.830 310 A CB 0.406 19.550 19.000 0.240 0.000 1.112 310 A HN 0.932 nan 8.150 nan 0.000 0.508 311 H N 3.134 122.151 119.070 -0.087 0.000 2.289 311 H HA -0.109 4.449 4.556 0.003 0.000 0.294 311 H C 1.574 176.818 175.328 -0.139 0.000 1.095 311 H CA 2.327 58.291 56.048 -0.140 0.000 1.256 311 H CB -0.336 29.369 29.762 -0.095 0.000 1.359 311 H HN 1.274 nan 8.280 nan 0.000 0.487 312 G N 0.103 108.854 108.800 -0.081 0.000 2.196 312 G HA2 -0.319 3.643 3.960 0.003 0.000 0.261 312 G HA3 -0.319 3.643 3.960 0.003 0.000 0.261 312 G C 1.046 175.702 174.900 -0.407 0.000 0.832 312 G CA 0.936 45.831 45.100 -0.342 0.000 1.246 312 G HN 0.828 nan 8.290 nan 0.000 0.383 313 T N -1.912 112.426 114.554 -0.359 0.000 3.035 313 T HA 0.338 4.689 4.350 0.003 0.000 0.268 313 T C 1.937 176.565 174.700 -0.120 0.000 1.109 313 T CA 1.479 63.409 62.100 -0.283 0.000 1.119 313 T CB -0.025 68.784 68.868 -0.098 0.000 0.900 313 T HN 2.360 nan 8.240 nan 0.000 0.503 314 A N 0.723 123.436 122.820 -0.178 0.000 3.141 314 A HA -0.117 4.205 4.320 0.003 0.000 0.242 314 A C 0.813 178.372 177.584 -0.042 0.000 1.313 314 A CA 0.895 52.858 52.037 -0.125 0.000 1.060 314 A CB -2.863 16.093 19.000 -0.073 0.000 1.153 314 A HN 1.268 nan 8.150 nan 0.000 0.847 315 T N -3.346 111.206 114.554 -0.004 0.000 2.899 315 T HA 0.587 4.939 4.350 0.003 0.000 0.284 315 T C -1.050 173.651 174.700 0.002 0.000 1.004 315 T CA -1.117 61.006 62.100 0.038 0.000 1.043 315 T CB 1.276 70.213 68.868 0.114 0.000 1.013 315 T HN 0.002 nan 8.240 nan 0.000 0.518 316 P HA -0.078 nan 4.420 nan 0.000 0.213 316 P C 1.547 178.855 177.300 0.013 0.000 1.170 316 P CA 0.446 63.553 63.100 0.011 0.000 0.902 316 P CB -0.049 31.660 31.700 0.015 0.000 0.789 317 I N -0.649 119.934 120.570 0.023 0.000 2.546 317 I HA 0.007 4.178 4.170 0.003 0.000 0.255 317 I C 1.974 178.105 176.117 0.023 0.000 1.163 317 I CA 1.314 62.625 61.300 0.019 0.000 1.457 317 I CB -1.327 36.684 38.000 0.018 0.000 1.092 317 I HN -0.137 nan 8.210 nan 0.000 0.434 318 G N -0.190 108.637 108.800 0.045 0.000 2.404 318 G HA2 -0.216 3.745 3.960 0.003 0.000 0.215 318 G HA3 -0.216 3.745 3.960 0.003 0.000 0.215 318 G C 1.355 176.268 174.900 0.022 0.000 1.174 318 G CA 0.833 45.972 45.100 0.067 0.000 0.780 318 G HN 0.342 nan 8.290 nan 0.000 0.537 319 D N 0.982 121.339 120.400 -0.072 0.000 2.144 319 D HA 0.011 4.653 4.640 0.003 0.000 0.199 319 D C 2.759 179.106 176.300 0.079 0.000 0.984 319 D CA 1.137 55.024 54.000 -0.189 0.000 0.834 319 D CB -0.367 40.170 40.800 -0.439 0.000 0.955 319 D HN 0.300 nan 8.370 nan 0.000 0.465 320 A N 0.836 123.688 122.820 0.054 0.000 1.898 320 A HA 0.027 4.348 4.320 0.003 0.000 0.216 320 A C 2.277 179.889 177.584 0.047 0.000 1.181 320 A CA 1.965 54.044 52.037 0.071 0.000 0.620 320 A CB -0.635 18.386 19.000 0.036 0.000 0.819 320 A HN 0.226 nan 8.150 nan 0.000 0.442 321 A N -0.314 122.510 122.820 0.008 0.000 1.930 321 A HA -0.127 4.194 4.320 0.003 0.000 0.217 321 A C 2.000 179.561 177.584 -0.040 0.000 1.175 321 A CA 1.753 53.760 52.037 -0.051 0.000 0.627 321 A CB -0.478 18.461 19.000 -0.102 0.000 0.815 321 A HN 0.662 nan 8.150 nan 0.000 0.443 322 E N -0.011 120.214 120.200 0.042 0.000 2.106 322 E HA -0.073 4.279 4.350 0.003 0.000 0.192 322 E C 2.044 178.749 176.600 0.175 0.000 0.984 322 E CA 1.014 57.497 56.400 0.139 0.000 0.806 322 E CB -0.274 29.627 29.700 0.334 0.000 0.750 322 E HN 0.510 nan 8.360 nan 0.000 0.458 323 A N 1.169 124.115 122.820 0.211 0.000 1.940 323 A HA -0.219 4.102 4.320 0.003 0.000 0.219 323 A C 1.959 179.572 177.584 0.050 0.000 1.176 323 A CA 1.677 53.788 52.037 0.124 0.000 0.631 323 A CB -0.627 18.456 19.000 0.140 0.000 0.814 323 A HN 0.270 nan 8.150 nan 0.000 0.446 324 N N 0.259 118.979 118.700 0.032 0.000 2.244 324 N HA -0.056 4.685 4.740 0.003 0.000 0.183 324 N C 1.801 177.303 175.510 -0.012 0.000 1.016 324 N CA 1.407 54.454 53.050 -0.004 0.000 0.866 324 N CB -0.483 37.987 38.487 -0.029 0.000 0.980 324 N HN 0.477 nan 8.380 nan 0.000 0.430 325 A N 0.831 123.645 122.820 -0.011 0.000 1.929 325 A HA 0.016 4.338 4.320 0.003 0.000 0.216 325 A C 2.195 179.797 177.584 0.030 0.000 1.176 325 A CA 0.650 52.684 52.037 -0.005 0.000 0.628 325 A CB -0.468 18.520 19.000 -0.021 0.000 0.816 325 A HN 0.216 nan 8.150 nan 0.000 0.444 326 I N -1.218 119.377 120.570 0.042 0.000 2.493 326 I HA -0.184 3.988 4.170 0.003 0.000 0.254 326 I C 2.679 178.800 176.117 0.005 0.000 1.160 326 I CA 0.907 62.223 61.300 0.026 0.000 1.445 326 I CB -0.273 37.733 38.000 0.010 0.000 1.086 326 I HN 0.277 nan 8.210 nan 0.000 0.433 327 R N 0.112 120.613 120.500 0.002 0.000 2.100 327 R HA -0.021 4.320 4.340 0.003 0.000 0.220 327 R C 2.369 178.667 176.300 -0.003 0.000 1.091 327 R CA 0.750 56.848 56.100 -0.003 0.000 0.986 327 R CB -0.149 30.148 30.300 -0.005 0.000 0.888 327 R HN 0.152 nan 8.270 nan 0.000 0.444 328 V N 1.123 121.034 119.914 -0.005 0.000 2.332 328 V HA -0.250 3.872 4.120 0.003 0.000 0.248 328 V C 2.282 178.375 176.094 -0.001 0.000 1.055 328 V CA 2.096 64.392 62.300 -0.007 0.000 1.038 328 V CB -0.582 31.233 31.823 -0.013 0.000 0.651 328 V HN 0.396 nan 8.190 nan 0.000 0.450 329 A N -0.653 122.170 122.820 0.006 0.000 2.168 329 A HA 0.299 4.621 4.320 0.003 0.000 0.215 329 A C 1.998 179.583 177.584 0.002 0.000 1.152 329 A CA 1.113 53.154 52.037 0.007 0.000 0.716 329 A CB -0.660 18.350 19.000 0.016 0.000 0.794 329 A HN 1.330 nan 8.150 nan 0.000 0.465 330 G N -2.456 106.345 108.800 0.001 0.000 2.176 330 G HA2 -0.271 3.690 3.960 0.003 0.000 0.252 330 G HA3 -0.271 3.690 3.960 0.003 0.000 0.252 330 G C 0.341 175.242 174.900 0.002 0.000 1.024 330 G CA 0.290 45.390 45.100 0.001 0.000 0.755 330 G HN 0.679 nan 8.290 nan 0.000 0.507 331 C N 1.217 120.517 119.300 -0.000 0.000 2.548 331 C HA 0.300 4.762 4.460 0.003 0.000 0.297 331 C C 1.799 176.781 174.990 -0.013 0.000 1.422 331 C CA -0.126 58.890 59.018 -0.002 0.000 1.785 331 C CB -0.551 27.185 27.740 -0.005 0.000 2.593 331 C HN 0.697 nan 8.230 nan 0.000 0.545 332 D N -0.118 120.275 120.400 -0.012 0.000 2.355 332 D HA -0.097 4.545 4.640 0.003 0.000 0.218 332 D C 1.431 177.718 176.300 -0.020 0.000 1.004 332 D CA 0.794 54.778 54.000 -0.025 0.000 0.880 332 D CB -0.012 40.775 40.800 -0.021 0.000 0.911 332 D HN 0.379 nan 8.370 nan 0.000 0.528 333 Q N 0.393 120.191 119.800 -0.002 0.000 2.360 333 Q HA 0.298 4.640 4.340 0.003 0.000 0.202 333 Q C 0.671 176.685 176.000 0.023 0.000 0.915 333 Q CA -0.030 55.780 55.803 0.012 0.000 0.943 333 Q CB 0.590 29.342 28.738 0.023 0.000 1.064 333 Q HN 0.379 nan 8.270 nan 0.000 0.511 334 A N 0.951 123.777 122.820 0.010 0.000 2.332 334 A HA 0.567 4.888 4.320 0.003 0.000 0.258 334 A C -0.007 177.584 177.584 0.011 0.000 1.087 334 A CA -0.022 52.028 52.037 0.022 0.000 0.802 334 A CB 0.351 19.348 19.000 -0.005 0.000 1.042 334 A HN 0.237 nan 8.150 nan 0.000 0.489 335 A N 1.380 124.232 122.820 0.054 0.000 2.444 335 A HA 0.495 4.817 4.320 0.003 0.000 0.273 335 A C -0.102 177.512 177.584 0.049 0.000 1.136 335 A CA -0.183 51.892 52.037 0.062 0.000 0.799 335 A CB -0.460 18.600 19.000 0.099 0.000 1.081 335 A HN 0.931 nan 8.150 nan 0.000 0.509 336 V N 4.461 124.360 119.914 -0.026 0.000 2.383 336 V HA 0.234 4.355 4.120 0.003 0.000 0.275 336 V C -0.472 175.661 176.094 0.065 0.000 1.036 336 V CA -0.325 61.927 62.300 -0.080 0.000 0.889 336 V CB 0.642 32.305 31.823 -0.268 0.000 0.985 336 V HN 0.755 nan 8.190 nan 0.000 0.459 337 Y N 4.381 124.690 120.300 0.015 0.000 2.377 337 Y HA 0.727 5.279 4.550 0.003 0.000 0.339 337 Y C 0.045 175.984 175.900 0.065 0.000 1.011 337 Y CA -1.669 56.472 58.100 0.068 0.000 1.093 337 Y CB 1.768 40.341 38.460 0.188 0.000 1.201 337 Y HN 0.622 nan 8.280 nan 0.000 0.455 338 A N 8.456 131.045 122.820 -0.383 0.000 2.431 338 A HA 0.498 4.820 4.320 0.003 0.000 0.318 338 A C -2.429 174.706 177.584 -0.749 0.000 1.330 338 A CA -1.631 50.155 52.037 -0.417 0.000 0.804 338 A CB 0.493 19.471 19.000 -0.036 0.000 1.135 338 A HN 0.643 nan 8.150 nan 0.000 0.483 339 P HA -0.103 nan 4.420 nan 0.000 0.222 339 P C 1.101 178.240 177.300 -0.269 0.000 1.147 339 P CA 1.098 63.817 63.100 -0.635 0.000 0.790 339 P CB 0.217 31.713 31.700 -0.341 0.000 0.780 340 K N -0.047 120.186 120.400 -0.279 0.000 2.362 340 K HA -0.042 4.280 4.320 0.003 0.000 0.200 340 K C 2.036 178.567 176.600 -0.116 0.000 1.046 340 K CA 1.338 57.503 56.287 -0.203 0.000 0.952 340 K CB -0.326 31.995 32.500 -0.298 0.000 0.753 340 K HN 0.243 nan 8.250 nan 0.000 0.466 341 S N 0.141 115.776 115.700 -0.109 0.000 2.442 341 S HA -0.096 4.376 4.470 0.003 0.000 0.236 341 S C 1.876 176.480 174.600 0.006 0.000 1.007 341 S CA 0.985 59.166 58.200 -0.031 0.000 0.965 341 S CB 0.085 63.290 63.200 0.008 0.000 0.773 341 S HN 0.295 nan 8.310 nan 0.000 0.504 342 A N 0.607 123.433 122.820 0.010 0.000 1.997 342 A HA 0.583 4.904 4.320 0.003 0.000 0.198 342 A C 1.849 179.456 177.584 0.038 0.000 1.449 342 A CA 0.005 52.068 52.037 0.043 0.000 0.908 342 A CB -0.106 18.944 19.000 0.083 0.000 0.984 342 A HN 0.409 nan 8.150 nan 0.000 0.487 343 L N -0.540 120.697 121.223 0.024 0.000 2.590 343 L HA 0.396 4.738 4.340 0.003 0.000 0.227 343 L C 1.323 178.208 176.870 0.024 0.000 1.099 343 L CA 0.528 55.389 54.840 0.035 0.000 0.872 343 L CB 0.051 42.135 42.059 0.041 0.000 1.088 343 L HN 0.633 nan 8.230 nan 0.000 0.479 344 G N -0.165 108.636 108.800 0.001 0.000 2.632 344 G HA2 -0.270 3.691 3.960 0.003 0.000 0.224 344 G HA3 -0.270 3.691 3.960 0.003 0.000 0.224 344 G C -0.798 174.113 174.900 0.018 0.000 1.341 344 G CA -0.612 44.507 45.100 0.031 0.000 0.880 344 G HN 0.201 nan 8.290 nan 0.000 0.566 345 H N 0.902 119.980 119.070 0.013 0.000 2.504 345 H HA 0.627 5.185 4.556 0.003 0.000 0.322 345 H C 1.291 176.619 175.328 0.001 0.000 1.055 345 H CA 0.091 56.099 56.048 -0.068 0.000 1.231 345 H CB 1.200 30.832 29.762 -0.216 0.000 1.417 345 H HN 0.771 nan 8.280 nan 0.000 0.472 346 S N 5.086 120.941 115.700 0.260 0.000 2.568 346 S HA 0.137 4.608 4.470 0.003 0.000 0.232 346 S C 1.313 175.972 174.600 0.098 0.000 0.975 346 S CA -0.366 57.913 58.200 0.132 0.000 0.949 346 S CB 0.053 63.295 63.200 0.071 0.000 0.829 346 S HN 0.562 nan 8.310 nan 0.000 0.479 347 I N 1.735 122.396 120.570 0.152 0.000 4.906 347 I HA -0.374 3.798 4.170 0.003 0.000 0.038 347 I C 2.237 178.376 176.117 0.037 0.000 0.635 347 I CA 1.904 63.176 61.300 -0.047 0.000 0.215 347 I CB -2.249 35.659 38.000 -0.154 0.000 0.324 347 I HN 0.418 nan 8.210 nan 0.000 0.150 348 G N 0.197 109.005 108.800 0.014 0.000 2.462 348 G HA2 0.029 3.990 3.960 0.003 0.000 0.220 348 G HA3 0.029 3.990 3.960 0.003 0.000 0.220 348 G C 1.427 176.347 174.900 0.033 0.000 1.121 348 G CA 1.957 47.071 45.100 0.024 0.000 0.758 348 G HN 1.029 nan 8.290 nan 0.000 0.559 349 A N -0.527 122.317 122.820 0.040 0.000 2.147 349 A HA 0.426 4.747 4.320 0.003 0.000 0.211 349 A C 2.324 179.927 177.584 0.032 0.000 1.160 349 A CA 0.927 52.987 52.037 0.039 0.000 0.781 349 A CB -0.146 18.883 19.000 0.047 0.000 0.842 349 A HN 0.243 nan 8.150 nan 0.000 0.475 350 V N 0.174 120.109 119.914 0.035 0.000 2.343 350 V HA -0.145 3.977 4.120 0.003 0.000 0.247 350 V C 2.484 178.564 176.094 -0.023 0.000 1.051 350 V CA 2.425 64.722 62.300 -0.004 0.000 1.036 350 V CB -0.724 31.072 31.823 -0.045 0.000 0.654 350 V HN 0.525 nan 8.190 nan 0.000 0.451 351 G N -1.220 107.579 108.800 -0.002 0.000 2.448 351 G HA2 -0.159 3.802 3.960 0.003 0.000 0.219 351 G HA3 -0.159 3.802 3.960 0.003 0.000 0.219 351 G C 1.680 176.580 174.900 -0.001 0.000 1.127 351 G CA 0.979 46.074 45.100 -0.009 0.000 0.766 351 G HN 0.693 nan 8.290 nan 0.000 0.552 352 A N 0.563 123.390 122.820 0.011 0.000 1.872 352 A HA 0.167 4.489 4.320 0.003 0.000 0.214 352 A C 2.298 179.882 177.584 0.000 0.000 1.187 352 A CA 1.493 53.541 52.037 0.019 0.000 0.614 352 A CB -0.439 18.578 19.000 0.029 0.000 0.826 352 A HN 0.478 nan 8.150 nan 0.000 0.442 353 L N 0.296 121.518 121.223 -0.001 0.000 2.042 353 L HA -0.162 4.179 4.340 0.003 0.000 0.210 353 L C 1.948 178.804 176.870 -0.024 0.000 1.076 353 L CA 2.610 57.446 54.840 -0.005 0.000 0.749 353 L CB -0.743 41.320 42.059 0.007 0.000 0.893 353 L HN 0.512 nan 8.230 nan 0.000 0.432 354 E N -0.999 119.180 120.200 -0.035 0.000 2.208 354 E HA -0.113 4.239 4.350 0.003 0.000 0.193 354 E C 2.106 178.659 176.600 -0.078 0.000 0.988 354 E CA 0.966 57.340 56.400 -0.044 0.000 0.828 354 E CB 0.011 29.670 29.700 -0.067 0.000 0.763 354 E HN 0.517 nan 8.360 nan 0.000 0.478 355 S N 0.193 115.843 115.700 -0.083 0.000 2.383 355 S HA -0.115 4.356 4.470 0.003 0.000 0.227 355 S C 2.115 176.516 174.600 -0.332 0.000 1.026 355 S CA 0.664 58.758 58.200 -0.175 0.000 0.981 355 S CB -0.029 63.187 63.200 0.027 0.000 0.818 355 S HN 0.073 nan 8.310 nan 0.000 0.472 356 V N 2.253 122.054 119.914 -0.188 0.000 2.343 356 V HA -0.139 3.983 4.120 0.003 0.000 0.247 356 V C 2.143 178.064 176.094 -0.288 0.000 1.051 356 V CA 1.427 63.602 62.300 -0.208 0.000 1.036 356 V CB -0.682 31.072 31.823 -0.115 0.000 0.654 356 V HN 0.438 nan 8.190 nan 0.000 0.451 357 L N -0.407 120.696 121.223 -0.200 0.000 2.083 357 L HA -0.182 4.160 4.340 0.003 0.000 0.209 357 L C 2.587 179.302 176.870 -0.257 0.000 1.083 357 L CA 1.908 56.640 54.840 -0.180 0.000 0.752 357 L CB -1.018 41.109 42.059 0.113 0.000 0.899 357 L HN 0.354 nan 8.230 nan 0.000 0.433 358 T N -0.676 113.729 114.554 -0.249 0.000 2.788 358 T HA -0.132 4.219 4.350 0.003 0.000 0.268 358 T C 1.998 176.472 174.700 -0.378 0.000 1.044 358 T CA 1.027 62.977 62.100 -0.250 0.000 1.139 358 T CB -0.100 68.556 68.868 -0.353 0.000 0.867 358 T HN 0.060 nan 8.240 nan 0.000 0.454 359 V N 1.296 120.899 119.914 -0.519 0.000 2.515 359 V HA -0.062 4.059 4.120 0.003 0.000 0.250 359 V C 2.294 178.164 176.094 -0.374 0.000 1.058 359 V CA 1.378 63.439 62.300 -0.399 0.000 1.064 359 V CB -0.483 31.125 31.823 -0.358 0.000 0.675 359 V HN 0.460 nan 8.190 nan 0.000 0.461 360 L N -1.086 119.778 121.223 -0.598 0.000 2.179 360 L HA -0.073 4.269 4.340 0.003 0.000 0.208 360 L C 2.546 179.035 176.870 -0.634 0.000 1.096 360 L CA 1.264 55.557 54.840 -0.912 0.000 0.779 360 L CB -0.870 40.047 42.059 -1.903 0.000 0.922 360 L HN 0.269 nan 8.230 nan 0.000 0.443 361 T N 0.602 114.904 114.554 -0.420 0.000 2.684 361 T HA -0.161 4.191 4.350 0.003 0.000 0.267 361 T C 1.971 176.663 174.700 -0.012 0.000 1.036 361 T CA 1.443 63.511 62.100 -0.053 0.000 1.148 361 T CB -0.224 68.495 68.868 -0.249 0.000 0.863 361 T HN 0.164 nan 8.240 nan 0.000 0.436 362 L N 0.354 121.537 121.223 -0.067 0.000 2.027 362 L HA -0.043 4.299 4.340 0.003 0.000 0.206 362 L C 2.873 179.761 176.870 0.031 0.000 1.074 362 L CA 1.359 56.212 54.840 0.021 0.000 0.745 362 L CB -0.481 41.588 42.059 0.017 0.000 0.898 362 L HN 0.134 nan 8.230 nan 0.000 0.433 363 R N 0.169 120.651 120.500 -0.030 0.000 2.081 363 R HA -0.158 4.184 4.340 0.003 0.000 0.235 363 R C 0.921 177.246 176.300 0.041 0.000 1.131 363 R CA 1.833 57.928 56.100 -0.009 0.000 0.960 363 R CB -0.046 30.210 30.300 -0.073 0.000 0.856 363 R HN 0.323 nan 8.270 nan 0.000 0.436 364 D N -0.735 119.711 120.400 0.077 0.000 2.340 364 D HA 0.122 4.763 4.640 0.003 0.000 0.217 364 D C 0.386 176.808 176.300 0.203 0.000 1.081 364 D CA 0.694 54.799 54.000 0.176 0.000 0.842 364 D CB 0.534 41.530 40.800 0.326 0.000 0.934 364 D HN 0.462 nan 8.370 nan 0.000 0.511 365 G N 1.303 110.211 108.800 0.181 0.000 2.412 365 G HA2 -0.179 3.783 3.960 0.003 0.000 0.297 365 G HA3 -0.179 3.783 3.960 0.003 0.000 0.297 365 G C 0.068 175.116 174.900 0.246 0.000 0.965 365 G CA 0.886 46.109 45.100 0.206 0.000 1.134 365 G HN 0.407 nan 8.290 nan 0.000 0.511 366 V N 0.181 120.253 119.914 0.262 0.000 3.120 366 V HA 0.781 4.903 4.120 0.003 0.000 0.303 366 V C -0.772 175.286 176.094 -0.060 0.000 1.238 366 V CA -1.262 61.048 62.300 0.015 0.000 1.008 366 V CB 2.128 33.713 31.823 -0.396 0.000 1.064 366 V HN 0.394 nan 8.190 nan 0.000 0.434 367 I N 5.377 125.786 120.570 -0.268 0.000 2.545 367 I HA 0.541 4.713 4.170 0.003 0.000 0.292 367 I C -2.605 173.155 176.117 -0.595 0.000 1.040 367 I CA -2.177 58.860 61.300 -0.439 0.000 1.068 367 I CB 2.595 40.337 38.000 -0.430 0.000 1.251 367 I HN 0.470 nan 8.210 nan 0.000 0.424 368 P HA 0.302 nan 4.420 nan 0.000 0.278 368 P C -2.661 174.286 177.300 -0.589 0.000 1.258 368 P CA -1.844 60.785 63.100 -0.786 0.000 0.811 368 P CB 0.015 31.194 31.700 -0.868 0.000 1.063 369 P HA 0.097 nan 4.420 nan 0.000 0.279 369 P C -0.620 176.787 177.300 0.178 0.000 1.239 369 P CA 0.062 63.138 63.100 -0.040 0.000 0.789 369 P CB 0.058 31.748 31.700 -0.016 0.000 0.933 370 T N 4.209 118.922 114.554 0.265 0.000 2.752 370 T HA 0.220 4.572 4.350 0.003 0.000 0.295 370 T C 0.685 175.501 174.700 0.192 0.000 0.923 370 T CA -0.143 62.117 62.100 0.266 0.000 1.112 370 T CB -0.376 68.594 68.868 0.170 0.000 0.884 370 T HN 0.184 nan 8.240 nan 0.000 0.525 371 L N 4.142 125.457 121.223 0.153 0.000 2.452 371 L HA 0.213 4.555 4.340 0.003 0.000 0.267 371 L C 0.967 177.914 176.870 0.129 0.000 1.188 371 L CA -0.523 54.388 54.840 0.119 0.000 0.821 371 L CB 0.132 42.241 42.059 0.084 0.000 1.102 371 L HN 0.712 nan 8.230 nan 0.000 0.470 372 N N -0.154 118.614 118.700 0.113 0.000 2.909 372 N HA -0.290 4.452 4.740 0.003 0.000 0.242 372 N C -0.325 175.274 175.510 0.148 0.000 0.975 372 N CA 0.877 53.986 53.050 0.099 0.000 0.921 372 N CB -1.486 37.045 38.487 0.074 0.000 1.112 372 N HN 0.619 nan 8.380 nan 0.000 0.581 373 Y N 2.428 122.763 120.300 0.057 0.000 2.594 373 Y HA 0.218 4.770 4.550 0.003 0.000 0.344 373 Y C 1.269 177.200 175.900 0.053 0.000 1.185 373 Y CA 0.211 58.352 58.100 0.070 0.000 1.565 373 Y CB -0.138 38.378 38.460 0.094 0.000 1.415 373 Y HN 0.084 nan 8.280 nan 0.000 0.488 374 E N 1.296 121.361 120.200 -0.225 0.000 2.421 374 E HA 0.122 4.473 4.350 0.003 0.000 0.209 374 E C -0.253 176.196 176.600 -0.251 0.000 0.871 374 E CA 0.310 56.590 56.400 -0.199 0.000 1.064 374 E CB 0.676 30.332 29.700 -0.074 0.000 1.075 374 E HN 0.352 nan 8.360 nan 0.000 0.513 375 T N 3.094 117.493 114.554 -0.258 0.000 2.791 375 T HA 0.336 4.688 4.350 0.003 0.000 0.288 375 T C -2.756 171.790 174.700 -0.257 0.000 0.999 375 T CA -1.833 60.149 62.100 -0.197 0.000 0.952 375 T CB 1.724 70.543 68.868 -0.082 0.000 0.938 375 T HN -0.182 nan 8.240 nan 0.000 0.444 376 P HA 0.167 nan 4.420 nan 0.000 0.270 376 P C -0.433 176.894 177.300 0.045 0.000 1.242 376 P CA -0.321 62.737 63.100 -0.070 0.000 0.768 376 P CB 0.375 32.063 31.700 -0.020 0.000 0.820 377 D N 6.027 126.509 120.400 0.136 0.000 2.325 377 D HA 0.056 4.697 4.640 0.003 0.000 0.251 377 D C -1.134 175.229 176.300 0.104 0.000 1.196 377 D CA -2.210 51.859 54.000 0.114 0.000 0.866 377 D CB 0.897 41.786 40.800 0.148 0.000 1.101 377 D HN 0.161 nan 8.370 nan 0.000 0.476 378 P HA -0.199 nan 4.420 nan 0.000 0.214 378 P C 0.908 178.242 177.300 0.056 0.000 1.169 378 P CA 1.132 64.263 63.100 0.053 0.000 0.908 378 P CB 0.405 32.126 31.700 0.036 0.000 0.791 379 E N -0.629 119.605 120.200 0.056 0.000 2.209 379 E HA -0.140 4.212 4.350 0.003 0.000 0.196 379 E C 2.138 178.779 176.600 0.068 0.000 0.993 379 E CA 0.742 57.173 56.400 0.053 0.000 0.819 379 E CB -0.612 29.117 29.700 0.048 0.000 0.745 379 E HN 0.287 nan 8.360 nan 0.000 0.477 380 I N 0.787 121.417 120.570 0.101 0.000 2.094 380 I HA -0.203 3.969 4.170 0.003 0.000 0.234 380 I C 0.695 176.841 176.117 0.050 0.000 1.063 380 I CA 1.018 62.391 61.300 0.122 0.000 1.328 380 I CB -1.069 37.060 38.000 0.215 0.000 1.058 380 I HN 0.115 nan 8.210 nan 0.000 0.400 381 D N 0.565 120.994 120.400 0.048 0.000 2.716 381 D HA -0.177 4.465 4.640 0.003 0.000 0.239 381 D C -0.614 175.669 176.300 -0.029 0.000 1.125 381 D CA 0.376 54.389 54.000 0.020 0.000 0.681 381 D CB -1.089 39.723 40.800 0.019 0.000 1.070 381 D HN 0.168 nan 8.370 nan 0.000 0.432 382 L N 0.088 121.262 121.223 -0.081 0.000 2.354 382 L HA 0.414 4.756 4.340 0.003 0.000 0.269 382 L C 0.474 177.265 176.870 -0.131 0.000 1.005 382 L CA -1.144 53.597 54.840 -0.165 0.000 0.819 382 L CB 1.573 43.404 42.059 -0.379 0.000 1.311 382 L HN -0.109 nan 8.230 nan 0.000 0.423 383 D N 2.053 122.391 120.400 -0.104 0.000 2.455 383 D HA 0.171 4.813 4.640 0.003 0.000 0.234 383 D C -0.618 175.613 176.300 -0.115 0.000 1.224 383 D CA -0.009 53.956 54.000 -0.058 0.000 0.999 383 D CB 0.297 41.088 40.800 -0.015 0.000 1.072 383 D HN 0.030 nan 8.370 nan 0.000 0.514 384 V N 3.990 123.793 119.914 -0.184 0.000 2.465 384 V HA 0.163 4.285 4.120 0.003 0.000 0.279 384 V C 0.656 176.689 176.094 -0.101 0.000 1.045 384 V CA -0.932 61.189 62.300 -0.299 0.000 0.938 384 V CB 1.665 32.994 31.823 -0.824 0.000 0.986 384 V HN 0.202 nan 8.190 nan 0.000 0.467 385 V N 4.499 124.396 119.914 -0.027 0.000 2.637 385 V HA 0.675 4.797 4.120 0.003 0.000 0.296 385 V C 0.515 176.654 176.094 0.075 0.000 1.046 385 V CA 0.587 62.907 62.300 0.034 0.000 1.066 385 V CB 0.722 32.554 31.823 0.015 0.000 0.968 385 V HN 1.174 nan 8.190 nan 0.000 0.483 386 A N 3.138 126.015 122.820 0.096 0.000 2.567 386 A HA 0.739 5.061 4.320 0.003 0.000 0.291 386 A C 0.646 178.286 177.584 0.093 0.000 1.048 386 A CA 0.266 52.388 52.037 0.141 0.000 0.661 386 A CB 0.769 19.950 19.000 0.302 0.000 1.288 386 A HN 1.947 nan 8.150 nan 0.000 0.424 387 G N 0.306 109.154 108.800 0.079 0.000 4.754 387 G HA2 -0.205 3.757 3.960 0.003 0.000 0.222 387 G HA3 -0.205 3.757 3.960 0.003 0.000 0.222 387 G C 0.238 175.151 174.900 0.021 0.000 1.377 387 G CA 1.613 46.742 45.100 0.048 0.000 0.942 387 G HN 2.124 nan 8.290 nan 0.000 0.671 388 E N 1.124 121.331 120.200 0.011 0.000 2.343 388 E HA 0.691 5.043 4.350 0.003 0.000 0.270 388 E C -3.127 173.436 176.600 -0.062 0.000 0.895 388 E CA -2.484 53.908 56.400 -0.013 0.000 0.767 388 E CB 2.582 32.292 29.700 0.018 0.000 1.248 388 E HN 0.274 nan 8.360 nan 0.000 0.440 389 P HA -0.007 nan 4.420 nan 0.000 0.270 389 P C -0.909 176.256 177.300 -0.225 0.000 1.227 389 P CA -0.258 62.675 63.100 -0.278 0.000 0.788 389 P CB 0.454 31.892 31.700 -0.435 0.000 0.926 390 R N 2.112 122.457 120.500 -0.258 0.000 2.371 390 R HA 0.295 4.637 4.340 0.003 0.000 0.312 390 R C -0.688 175.574 176.300 -0.063 0.000 0.980 390 R CA -0.582 55.470 56.100 -0.080 0.000 0.867 390 R CB 0.253 30.570 30.300 0.029 0.000 1.163 390 R HN 0.463 nan 8.270 nan 0.000 0.492 391 Y N 1.232 121.550 120.300 0.030 0.000 2.326 391 Y HA 0.560 5.112 4.550 0.003 0.000 0.333 391 Y C 1.314 177.132 175.900 -0.136 0.000 1.240 391 Y CA 0.499 58.594 58.100 -0.009 0.000 1.365 391 Y CB 1.558 39.993 38.460 -0.042 0.000 1.289 391 Y HN 0.727 nan 8.280 nan 0.000 0.548 392 G N 0.490 109.134 108.800 -0.259 0.000 2.328 392 G HA2 0.176 4.138 3.960 0.003 0.000 0.295 392 G HA3 0.176 4.138 3.960 0.003 0.000 0.295 392 G C -2.121 172.277 174.900 -0.836 0.000 1.413 392 G CA -1.053 43.679 45.100 -0.612 0.000 0.817 392 G HN 0.416 nan 8.290 nan 0.000 0.546 393 D N 0.310 120.372 120.400 -0.563 0.000 2.517 393 D HA 0.419 5.061 4.640 0.003 0.000 0.220 393 D C -0.737 175.395 176.300 -0.280 0.000 1.158 393 D CA -0.086 53.713 54.000 -0.334 0.000 0.992 393 D CB -0.247 40.456 40.800 -0.161 0.000 1.058 393 D HN 0.203 nan 8.370 nan 0.000 0.516 394 Y N 1.904 122.199 120.300 -0.008 0.000 2.367 394 Y HA 0.352 4.904 4.550 0.003 0.000 0.342 394 Y C 1.490 177.347 175.900 -0.072 0.000 0.979 394 Y CA -0.712 57.381 58.100 -0.012 0.000 1.161 394 Y CB 1.243 39.700 38.460 -0.005 0.000 1.155 394 Y HN 0.214 nan 8.280 nan 0.000 0.503 395 R N 1.339 121.846 120.500 0.012 0.000 2.250 395 R HA 0.224 4.566 4.340 0.003 0.000 0.194 395 R C -0.864 175.082 176.300 -0.589 0.000 0.927 395 R CA 0.344 56.239 56.100 -0.341 0.000 1.052 395 R CB 0.566 30.576 30.300 -0.483 0.000 1.055 395 R HN 0.498 nan 8.270 nan 0.000 0.537 396 Y N -0.672 119.719 120.300 0.150 0.000 2.562 396 Y HA 0.709 5.261 4.550 0.003 0.000 0.345 396 Y C -0.753 175.230 175.900 0.139 0.000 1.045 396 Y CA -1.585 56.593 58.100 0.130 0.000 1.028 396 Y CB 2.294 40.807 38.460 0.088 0.000 1.297 396 Y HN -0.080 nan 8.280 nan 0.000 0.463 397 A N 1.059 124.066 122.820 0.312 0.000 2.540 397 A HA 0.756 5.078 4.320 0.003 0.000 0.297 397 A C -2.093 175.597 177.584 0.176 0.000 1.056 397 A CA -0.680 51.487 52.037 0.217 0.000 0.700 397 A CB 1.064 20.241 19.000 0.295 0.000 1.280 397 A HN 0.462 nan 8.150 nan 0.000 0.398 398 V N 2.023 121.968 119.914 0.053 0.000 2.435 398 V HA 0.456 4.578 4.120 0.003 0.000 0.290 398 V C -0.050 176.043 176.094 -0.002 0.000 1.030 398 V CA -0.643 61.678 62.300 0.035 0.000 0.881 398 V CB 1.698 33.513 31.823 -0.013 0.000 0.983 398 V HN 0.894 nan 8.190 nan 0.000 0.445 399 N N 3.963 122.699 118.700 0.059 0.000 2.444 399 N HA 0.312 5.054 4.740 0.003 0.000 0.262 399 N C -0.746 174.719 175.510 -0.075 0.000 0.974 399 N CA -0.339 52.717 53.050 0.010 0.000 0.933 399 N CB 0.764 39.311 38.487 0.099 0.000 1.137 399 N HN 0.597 nan 8.380 nan 0.000 0.498 400 N N 1.480 120.089 118.700 -0.152 0.000 2.426 400 N HA 0.267 5.008 4.740 0.003 0.000 0.275 400 N C -1.351 173.862 175.510 -0.494 0.000 1.019 400 N CA -0.165 52.667 53.050 -0.363 0.000 0.941 400 N CB 1.550 39.845 38.487 -0.320 0.000 1.123 400 N HN 0.404 nan 8.380 nan 0.000 0.486 401 S N 2.071 117.349 115.700 -0.703 0.000 2.594 401 S HA 0.702 5.174 4.470 0.003 0.000 0.296 401 S C -1.601 172.511 174.600 -0.814 0.000 1.124 401 S CA -0.556 57.310 58.200 -0.556 0.000 1.011 401 S CB 0.087 63.169 63.200 -0.196 0.000 1.016 401 S HN 0.277 nan 8.310 nan 0.000 0.485 402 F N 1.839 121.455 119.950 -0.556 0.000 2.551 402 F HA 0.783 5.311 4.527 0.003 0.000 0.316 402 F C 0.775 176.437 175.800 -0.230 0.000 1.089 402 F CA -0.796 56.966 58.000 -0.396 0.000 0.915 402 F CB 2.174 40.917 39.000 -0.427 0.000 1.186 402 F HN 0.643 nan 8.300 nan 0.000 0.456 403 G N 1.154 110.101 108.800 0.244 0.000 2.563 403 G HA2 0.580 4.542 3.960 0.003 0.000 0.302 403 G HA3 0.580 4.542 3.960 0.003 0.000 0.302 403 G C -1.563 173.619 174.900 0.470 0.000 1.301 403 G CA -0.674 44.607 45.100 0.302 0.000 0.965 403 G HN 0.229 nan 8.290 nan 0.000 0.480 404 F N 0.774 120.853 119.950 0.215 0.000 2.608 404 F HA 0.397 4.926 4.527 0.002 0.000 0.380 404 F C 1.589 177.489 175.800 0.166 0.000 1.083 404 F CA 0.971 59.069 58.000 0.164 0.000 1.266 404 F CB 1.055 40.149 39.000 0.156 0.000 1.076 404 F HN 1.000 nan 8.300 nan 0.000 0.574 405 G N 1.124 110.003 108.800 0.130 0.000 2.211 405 G HA2 0.108 4.070 3.960 0.003 0.000 0.201 405 G HA3 0.108 4.070 3.960 0.003 0.000 0.201 405 G C 0.768 175.353 174.900 -0.525 0.000 0.997 405 G CA 0.043 45.069 45.100 -0.123 0.000 0.652 405 G HN 1.817 nan 8.290 nan 0.000 0.500 406 G N -0.332 108.246 108.800 -0.370 0.000 2.131 406 G HA2 -0.123 3.839 3.960 0.003 0.000 0.201 406 G HA3 -0.123 3.839 3.960 0.003 0.000 0.201 406 G C -0.060 174.693 174.900 -0.245 0.000 1.000 406 G CA 0.449 45.400 45.100 -0.247 0.000 0.680 406 G HN 1.341 nan 8.290 nan 0.000 0.514 407 H N 0.634 119.784 119.070 0.133 0.000 2.473 407 H HA 0.500 5.057 4.556 0.003 0.000 0.327 407 H C -0.250 175.195 175.328 0.196 0.000 1.105 407 H CA -0.406 55.722 56.048 0.133 0.000 1.280 407 H CB 0.999 30.831 29.762 0.116 0.000 1.450 407 H HN 0.243 nan 8.280 nan 0.000 0.492 408 N N 2.334 121.221 118.700 0.312 0.000 2.461 408 N HA 0.226 4.968 4.740 0.003 0.000 0.284 408 N C -0.886 174.746 175.510 0.203 0.000 1.049 408 N CA -0.447 52.852 53.050 0.415 0.000 0.889 408 N CB 2.921 41.632 38.487 0.374 0.000 1.365 408 N HN 0.210 nan 8.380 nan 0.000 0.499 409 V N 0.795 120.737 119.914 0.047 0.000 2.448 409 V HA 0.818 4.940 4.120 0.003 0.000 0.295 409 V C -0.183 175.833 176.094 -0.130 0.000 1.025 409 V CA -0.827 61.444 62.300 -0.048 0.000 0.859 409 V CB 1.470 33.252 31.823 -0.069 0.000 0.988 409 V HN 0.780 nan 8.190 nan 0.000 0.431 410 A N 5.869 128.635 122.820 -0.090 0.000 2.356 410 A HA 0.919 5.241 4.320 0.003 0.000 0.310 410 A C -1.124 176.376 177.584 -0.140 0.000 1.075 410 A CA -0.511 51.464 52.037 -0.103 0.000 0.746 410 A CB 1.137 20.107 19.000 -0.051 0.000 1.221 410 A HN 0.788 nan 8.150 nan 0.000 0.443 411 L N 2.083 123.231 121.223 -0.125 0.000 2.356 411 L HA 0.689 5.031 4.340 0.003 0.000 0.277 411 L C 0.325 177.065 176.870 -0.217 0.000 0.996 411 L CA -0.646 54.057 54.840 -0.229 0.000 0.822 411 L CB 2.055 44.042 42.059 -0.120 0.000 1.256 411 L HN 0.801 nan 8.230 nan 0.000 0.413 412 A N 3.853 126.432 122.820 -0.401 0.000 2.260 412 A HA 0.777 5.099 4.320 0.003 0.000 0.308 412 A C -1.039 176.321 177.584 -0.374 0.000 1.254 412 A CA -0.166 51.716 52.037 -0.258 0.000 0.874 412 A CB 0.134 18.993 19.000 -0.234 0.000 1.153 412 A HN 0.514 nan 8.150 nan 0.000 0.527 413 F N 1.131 121.079 119.950 -0.004 0.000 2.556 413 F HA 0.733 5.262 4.527 0.003 0.000 0.327 413 F C 0.850 176.744 175.800 0.157 0.000 1.059 413 F CA -0.206 57.820 58.000 0.043 0.000 0.953 413 F CB 2.764 41.779 39.000 0.025 0.000 1.227 413 F HN 0.704 nan 8.300 nan 0.000 0.478 414 G N 1.031 110.043 108.800 0.353 0.000 2.667 414 G HA2 0.438 4.399 3.960 0.003 0.000 0.298 414 G HA3 0.438 4.399 3.960 0.003 0.000 0.298 414 G C -1.653 173.331 174.900 0.140 0.000 1.377 414 G CA -1.014 44.235 45.100 0.248 0.000 0.964 414 G HN 0.586 nan 8.290 nan 0.000 0.493 415 R N 0.543 121.049 120.500 0.011 0.000 2.585 415 R HA 0.054 4.395 4.340 0.003 0.000 0.275 415 R C -0.053 176.296 176.300 0.083 0.000 1.018 415 R CA -0.277 55.845 56.100 0.037 0.000 1.072 415 R CB 0.223 30.508 30.300 -0.025 0.000 0.953 415 R HN 0.616 nan 8.270 nan 0.000 0.419 416 Y N 0.000 120.308 120.300 0.013 0.000 2.660 416 Y HA 0.000 4.552 4.550 0.003 0.000 0.201 416 Y CA 0.000 58.115 58.100 0.026 0.000 1.940 416 Y CB 0.000 38.476 38.460 0.026 0.000 1.050 416 Y HN 0.000 nan 8.280 nan 0.000 0.758