============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 27 1.000 33.675 -16.546 21.252 -99.200 -91.000 PHE 29 1.000 38.829 -15.007 24.651 -99.200 -91.000 TYR 32 0.840 35.205 -21.414 19.562 -99.200 -91.000 TYR 33 0.840 44.287 -23.155 17.642 -99.200 -91.000 TRP 36 1.040 44.771 -9.810 16.967 -99.200 -91.000 TRP6 36 1.020 43.359 -7.907 17.167 -99.200 -91.000 TRP 47 1.040 46.801 -15.789 9.975 -99.200 -91.000 TRP6 47 1.020 48.897 -16.597 10.745 -99.200 -91.000 PHE 50 1.000 47.641 -20.164 15.024 -99.200 -91.000 TYR 58 0.840 44.791 -20.144 27.042 -99.200 -91.000 TYR 62 0.840 53.345 -13.529 16.939 -99.200 -91.000 PHE 70 1.000 52.381 -5.392 14.404 -99.200 -91.000 TYR 82 0.840 44.270 -7.119 25.949 -99.200 -91.000 TYR 96 0.840 46.538 -3.626 12.079 -99.200 -91.000 TYR 97 0.840 38.687 -6.067 9.008 -99.200 -91.000 TYR 104 0.840 35.831 -28.360 12.031 -99.200 -91.000 TYR 108 0.840 29.944 -16.244 14.323 -99.200 -91.000 TRP 109 1.040 35.972 -12.711 9.821 -99.200 -91.000 TRP6 109 1.020 38.079 -12.167 8.891 -99.200 -91.000 PHE 128 1.000 37.043 25.306 0.853 -99.200 -91.000 TYR 151 0.840 39.717 13.815 4.612 -99.200 -91.000 PHE 152 1.000 47.508 11.734 8.035 -99.200 -91.000 TRP 160 1.040 24.911 15.077 0.453 -99.200 -91.000 TRP6 160 1.020 25.318 17.278 -0.298 -99.200 -91.000 HIS 170 0.900 26.485 8.496 -7.453 -99.200 -91.000 PHE 172 1.000 32.439 11.024 -6.928 -99.200 -91.000 TYR 182 0.840 44.412 10.100 2.729 -99.200 -91.000 TYR 200 0.840 18.848 20.387 -2.282 -99.200 -91.000 HIS 206 0.900 38.787 13.993 10.133 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1fl5B1 GLN 1 HA -0.04 -0.09 0.22 -0.75 4.36 3.69 1fl5B1 GLN 1 HB2 -0.00 -0.03 -0.00 -0.04 2.15 2.07 1fl5B1 GLN 1 HB3 -0.01 0.08 -0.13 -0.04 2.02 1.91 1fl5B1 GLN 1 HG2 0.01 0.00 0.00 -0.04 2.40 2.37 1fl5B1 GLN 1 HG3 0.01 -0.00 0.03 -0.04 2.39 2.39 1fl5B1 GLN 1 HE21 0.01 -0.01 0.02 -0.04 6.97 6.95 1fl5B1 GLN 1 HE22 0.02 0.01 0.02 -0.04 7.69 7.70 1fl5B1 VAL 2 H -0.21 0.04 0.10 -0.55 8.24 7.62 1fl5B1 VAL 2 HA -0.02 0.16 0.64 -0.75 4.13 4.16 1fl5B1 VAL 2 HB -1.17 -0.04 0.14 -0.04 2.12 1.01 1fl5B1 VAL 2 HG13 -0.57 -0.03 -0.22 -0.04 0.97 0.12 1fl5B1 VAL 2 HG23 -0.44 -0.01 -0.03 -0.04 0.95 0.44 1fl5B1 GLN 3 H 0.06 0.62 0.36 -0.55 8.47 8.96 1fl5B1 GLN 3 HA 0.04 0.14 0.83 -0.75 4.36 4.61 1fl5B1 GLN 3 HB2 0.01 -0.01 -0.02 -0.04 2.15 2.09 1fl5B1 GLN 3 HB3 0.02 -0.02 -0.06 -0.04 2.02 1.92 1fl5B1 GLN 3 HG2 0.03 0.00 -0.07 -0.04 2.40 2.31 1fl5B1 GLN 3 HG3 0.00 0.04 -0.81 -0.04 2.39 1.57 1fl5B1 GLN 3 HE21 0.01 -0.03 -0.06 -0.04 6.97 6.84 1fl5B1 GLN 3 HE22 0.02 -0.00 -0.07 -0.04 7.69 7.60 1fl5B1 LEU 4 H 0.07 0.29 0.11 -0.55 8.37 8.29 1fl5B1 LEU 4 HA 0.04 0.28 0.80 -0.75 4.35 4.71 1fl5B1 LEU 4 HB2 0.07 0.04 -0.20 -0.04 1.64 1.50 1fl5B1 LEU 4 HB3 0.01 -0.06 -0.19 -0.04 1.64 1.37 1fl5B1 LEU 4 HG 0.09 0.06 -0.22 -0.04 1.64 1.53 1fl5B1 LEU 4 HD13 0.04 -0.04 -0.49 -0.04 0.93 0.39 1fl5B1 LEU 4 HD23 -0.08 -0.02 -0.31 -0.04 0.89 0.43 1fl5B1 VAL 5 H 0.01 0.64 0.19 -0.55 8.24 8.53 1fl5B1 VAL 5 HA 0.05 0.07 1.10 -0.75 4.13 4.60 1fl5B1 VAL 5 HB 0.01 -0.02 0.15 -0.04 2.12 2.23 1fl5B1 VAL 5 HG13 0.03 0.03 -0.03 -0.04 0.97 0.96 1fl5B1 VAL 5 HG23 0.02 0.01 -0.20 -0.04 0.95 0.75 1fl5B1 GLU 6 H 0.08 0.04 0.22 -0.55 8.60 8.40 1fl5B1 GLU 6 HA 0.11 0.39 1.10 -0.75 4.29 5.14 1fl5B1 GLU 6 HB2 0.13 0.02 -0.05 -0.04 2.09 2.14 1fl5B1 GLU 6 HB3 0.24 0.11 0.13 -0.04 1.99 2.43 1fl5B1 GLU 6 HG2 0.09 0.05 -0.05 -0.04 2.34 2.39 1fl5B1 GLU 6 HG3 0.10 -0.16 0.07 -0.04 2.34 2.31 1fl5B1 SER 7 H 0.12 0.62 0.47 -0.55 8.46 9.13 1fl5B1 SER 7 HA 0.04 0.10 0.57 -0.75 4.49 4.44 1fl5B1 SER 7 HB2 0.03 -0.04 0.17 -0.04 3.95 4.07 1fl5B1 SER 7 HB3 0.03 0.13 -0.11 -0.04 3.93 3.94 1fl5B1 GLY 8 H 0.01 0.20 0.19 -0.55 8.43 8.28 1fl5B1 GLY 8 HA2 -0.01 0.04 0.41 -0.51 4.01 3.93 1fl5B1 GLY 8 HA3 -0.01 0.20 0.96 -0.51 4.01 4.65 1fl5B1 GLY 9 H -0.00 -0.04 -0.16 -0.55 8.43 7.69 1fl5B1 GLY 9 HA2 -0.07 0.07 0.40 -0.51 4.01 3.90 1fl5B1 GLY 9 HA3 -0.01 0.06 0.16 -0.51 4.01 3.71 1fl5B1 GLY 10 H -0.03 0.19 0.37 -0.55 8.43 8.41 1fl5B1 GLY 10 HA2 -0.02 0.04 0.34 -0.51 4.01 3.86 1fl5B1 GLY 10 HA3 -0.02 0.11 0.57 -0.51 4.01 4.16 1fl5B1 LEU 11 H 0.01 0.16 0.21 -0.55 8.37 8.20 1fl5B1 LEU 11 HA 0.05 0.24 0.84 -0.75 4.35 4.72 1fl5B1 LEU 11 HB2 0.07 -0.02 0.07 -0.04 1.64 1.72 1fl5B1 LEU 11 HB3 0.06 -0.02 0.18 -0.04 1.64 1.82 1fl5B1 LEU 11 HG 0.11 0.04 -0.21 -0.04 1.64 1.53 1fl5B1 LEU 11 HD13 0.26 0.03 -0.13 -0.04 0.93 1.06 1fl5B1 LEU 11 HD23 0.20 0.02 -0.13 -0.04 0.89 0.95 1fl5B1 VAL 12 H 0.05 0.55 0.34 -0.55 8.24 8.64 1fl5B1 VAL 12 HA 0.01 0.08 0.77 -0.75 4.13 4.24 1fl5B1 VAL 12 HB -0.03 0.04 -0.24 -0.04 2.12 1.85 1fl5B1 VAL 12 HG13 -0.01 0.02 -0.16 -0.04 0.97 0.78 1fl5B1 VAL 12 HG23 -0.03 0.06 -0.14 -0.04 0.95 0.81 1fl5B1 GLN 13 H 0.01 0.08 0.11 -0.55 8.47 8.13 1fl5B1 GLN 13 HA 0.03 0.22 0.24 -0.75 4.36 4.09 1fl5B1 GLN 13 HB2 0.00 -0.05 0.02 -0.04 2.15 2.09 1fl5B1 GLN 13 HB3 0.01 0.04 0.08 -0.04 2.02 2.10 1fl5B1 GLN 13 HG2 0.01 -0.05 0.12 -0.04 2.40 2.43 1fl5B1 GLN 13 HG3 0.00 -0.03 0.06 -0.04 2.39 2.38 1fl5B1 GLN 13 HE21 -0.00 0.12 0.15 -0.04 6.97 7.19 1fl5B1 GLN 13 HE22 0.00 -0.05 0.08 -0.04 7.69 7.68 1fl5B1 PRO 14 HA 0.03 0.15 0.39 -0.51 4.44 4.50 1fl5B1 PRO 14 HB2 0.01 0.00 0.01 -0.04 2.28 2.27 1fl5B1 PRO 14 HB3 0.03 0.01 0.07 -0.04 2.02 2.08 1fl5B1 PRO 14 HG2 0.02 -0.04 0.02 -0.04 2.03 1.99 1fl5B1 PRO 14 HG3 0.04 0.08 -0.21 -0.04 2.03 1.89 1fl5B1 PRO 14 HD2 0.01 0.09 0.09 -0.04 3.68 3.83 1fl5B1 PRO 14 HD3 0.03 0.12 -0.56 -0.04 3.65 3.20 1fl5B1 GLY 15 H 0.02 0.90 0.25 -0.55 8.43 9.06 1fl5B1 GLY 15 HA2 0.01 -0.05 0.32 -0.51 4.01 3.78 1fl5B1 GLY 15 HA3 0.00 0.05 0.49 -0.51 4.01 4.05 1fl5B1 GLY 16 H -0.00 0.27 -0.48 -0.55 8.43 7.66 1fl5B1 GLY 16 HA2 -0.02 0.10 0.55 -0.51 4.01 4.13 1fl5B1 GLY 16 HA3 -0.02 0.09 0.24 -0.51 4.01 3.80 1fl5B1 SER 17 H -0.05 0.18 0.19 -0.55 8.46 8.23 1fl5B1 SER 17 HA -0.11 0.37 1.08 -0.75 4.49 5.08 1fl5B1 SER 17 HB2 -0.07 -0.07 0.05 -0.04 3.95 3.83 1fl5B1 SER 17 HB3 -0.10 -0.00 -0.01 -0.04 3.93 3.77 1fl5B1 LEU 18 H -0.20 0.61 0.34 -0.55 8.37 8.57 1fl5B1 LEU 18 HA -0.12 0.09 0.71 -0.75 4.35 4.28 1fl5B1 LEU 18 HB2 -0.14 0.00 -0.38 -0.04 1.64 1.09 1fl5B1 LEU 18 HB3 -0.24 -0.05 -0.07 -0.04 1.64 1.24 1fl5B1 LEU 18 HG -0.14 0.08 -0.07 -0.04 1.64 1.47 1fl5B1 LEU 18 HD13 -0.07 -0.00 0.04 -0.04 0.93 0.85 1fl5B1 LEU 18 HD23 -0.12 -0.01 -0.11 -0.04 0.89 0.60 1fl5B1 ARG 19 H -0.12 0.23 0.16 -0.55 8.46 8.17 1fl5B1 ARG 19 HA -0.21 0.26 1.23 -0.75 4.34 4.86 1fl5B1 ARG 19 HB2 -0.14 -0.03 -0.03 -0.04 1.90 1.66 1fl5B1 ARG 19 HB3 -0.09 -0.01 0.08 -0.04 1.80 1.74 1fl5B1 ARG 19 HG2 0.01 0.10 -0.34 -0.04 1.67 1.39 1fl5B1 ARG 19 HG3 -0.13 -0.03 -0.13 -0.04 1.67 1.34 1fl5B1 ARG 19 HD2 -0.52 -0.04 -0.13 -0.04 3.22 2.49 1fl5B1 ARG 19 HD3 -0.25 -0.01 -0.09 -0.04 3.22 2.83 1fl5B1 LEU 20 H -0.29 0.62 0.27 -0.55 8.37 8.43 1fl5B1 LEU 20 HA -0.06 0.21 0.92 -0.75 4.35 4.66 1fl5B1 LEU 20 HB2 -0.69 -0.06 0.08 -0.04 1.64 0.93 1fl5B1 LEU 20 HB3 -0.11 0.02 0.00 -0.04 1.64 1.51 1fl5B1 LEU 20 HG -0.49 0.04 -0.13 -0.04 1.64 1.03 1fl5B1 LEU 20 HD13 -0.46 -0.01 -0.11 -0.04 0.93 0.31 1fl5B1 LEU 20 HD23 -0.16 0.02 -0.36 -0.04 0.89 0.35 1fl5B1 SER 21 H 0.13 0.54 0.34 -0.55 8.46 8.93 1fl5B1 SER 21 HA 0.20 0.31 1.05 -0.75 4.49 5.31 1fl5B1 SER 21 HB2 0.01 -0.03 -0.00 -0.04 3.95 3.89 1fl5B1 SER 21 HB3 0.26 0.01 -0.17 -0.04 3.93 3.98 1fl5B1 CYS 22 H 0.01 0.54 0.20 -0.55 8.50 8.70 1fl5B1 CYS 22 HA 0.06 0.23 0.71 -0.75 4.58 4.83 1fl5B1 CYS 22 HB2 -0.01 0.01 -0.21 -0.04 2.97 2.73 1fl5B1 CYS 22 HB3 -0.02 0.02 0.08 -0.04 2.97 3.01 1fl5B1 ALA 23 H -0.02 0.55 0.23 -0.55 8.40 8.61 1fl5B1 ALA 23 HA -0.17 0.09 0.81 -0.75 4.34 4.32 1fl5B1 ALA 23 HB3 -0.07 0.01 0.12 -0.04 1.41 1.43 1fl5B1 THR 24 H -0.28 0.53 0.43 -0.55 8.28 8.42 1fl5B1 THR 24 HA -0.02 0.33 1.22 -0.75 4.39 5.16 1fl5B1 THR 24 HB 0.17 -0.02 0.13 -0.04 4.32 4.56 1fl5B1 THR 24 HG23 0.12 -0.01 -0.14 -0.04 1.22 1.15 1fl5B1 SER 25 H 0.00 0.54 0.43 -0.55 8.46 8.89 1fl5B1 SER 25 HA -0.21 0.04 0.63 -0.75 4.49 4.20 1fl5B1 SER 25 HB2 -0.07 -0.06 0.14 -0.04 3.95 3.91 1fl5B1 SER 25 HB3 -0.09 0.14 -0.15 -0.04 3.93 3.79 1fl5B1 GLY 26 H -0.08 0.12 0.17 -0.55 8.43 8.09 1fl5B1 GLY 26 HA2 -0.00 0.05 0.29 -0.51 4.01 3.84 1fl5B1 GLY 26 HA3 0.04 0.35 0.56 -0.51 4.01 4.44 1fl5B1 PHE 27 H -0.22 0.22 -0.05 -0.55 8.34 7.74 1fl5B1 PHE 27 HA 0.01 0.09 0.43 -0.75 4.62 4.40 1fl5B1 PHE 27 HB2 0.00 -0.05 0.00 -0.04 3.15 3.06 1fl5B1 PHE 27 HB3 -0.13 0.20 -0.22 -0.04 3.06 2.86 1fl5B1 PHE 27 HD2 -0.07 0.08 -0.44 -0.04 7.28 6.81 1fl5B1 PHE 27 HE2 -0.04 0.08 -0.13 -0.04 7.38 7.26 1fl5B1 PHE 27 HZ 0.08 0.02 -0.12 -0.04 7.32 7.26 1fl5B1 THR 28 H 0.29 0.18 0.06 -0.55 8.28 8.26 1fl5B1 THR 28 HA 0.05 0.09 0.52 -0.75 4.39 4.30 1fl5B1 THR 28 HB 0.19 0.00 0.19 -0.04 4.32 4.67 1fl5B1 THR 28 HG23 0.08 -0.03 -0.04 -0.04 1.22 1.19 1fl5B1 PHE 29 H 0.01 0.31 0.25 -0.55 8.34 8.35 1fl5B1 PHE 29 HA -0.01 0.08 0.26 -0.75 4.62 4.20 1fl5B1 PHE 29 HB2 -0.31 0.13 0.15 -0.04 3.15 3.07 1fl5B1 PHE 29 HB3 -0.09 -0.06 0.17 -0.04 3.06 3.04 1fl5B1 PHE 29 HD2 -0.11 -0.02 -0.06 -0.04 7.28 7.06 1fl5B1 PHE 29 HE2 -0.03 -0.04 -0.25 -0.04 7.38 7.02 1fl5B1 PHE 29 HZ -0.04 0.03 -0.45 -0.04 7.32 6.82 1fl5B1 THR 30 H 0.18 0.11 -0.06 -0.55 8.28 7.96 1fl5B1 THR 30 HA 0.06 0.14 0.35 -0.75 4.39 4.19 1fl5B1 THR 30 HB 0.23 -0.04 0.11 -0.04 4.32 4.58 1fl5B1 THR 30 HG23 0.16 0.02 0.05 -0.04 1.22 1.40 1fl5B1 ASP 31 H 0.13 0.31 -0.57 -0.55 8.40 7.73 1fl5B1 ASP 31 HA -0.05 -0.03 0.53 -0.75 4.63 4.33 1fl5B1 ASP 31 HB2 0.05 0.30 0.10 -0.04 2.71 3.12 1fl5B1 ASP 31 HB3 -0.46 -0.02 -0.04 -0.04 2.70 2.15 1fl5B1 TYR 32 H 0.19 0.51 -0.12 -0.55 8.29 8.32 1fl5B1 TYR 32 HA 0.02 0.18 1.12 -0.75 4.56 5.12 1fl5B1 TYR 32 HB2 0.08 0.07 -0.02 -0.04 3.06 3.15 1fl5B1 TYR 32 HB3 -0.03 0.10 -0.08 -0.04 2.98 2.93 1fl5B1 TYR 32 HD2 0.08 0.20 -0.19 -0.04 7.15 7.20 1fl5B1 TYR 32 HE2 0.02 -0.13 -0.02 -0.04 6.85 6.67 1fl5B1 TYR 33 H 0.20 0.14 0.19 -0.55 8.29 8.27 1fl5B1 TYR 33 HA -0.05 0.22 0.51 -0.75 4.56 4.48 1fl5B1 TYR 33 HB2 -0.14 -0.00 0.13 -0.04 3.06 3.01 1fl5B1 TYR 33 HB3 -0.22 0.05 -0.06 -0.04 2.98 2.71 1fl5B1 TYR 33 HD2 -0.68 -0.01 -0.08 -0.04 7.15 6.34 1fl5B1 TYR 33 HE2 -0.35 0.01 -0.04 -0.04 6.85 6.43 1fl5B1 MET 34 H 0.10 0.55 0.34 -0.55 8.47 8.91 1fl5B1 MET 34 HA -0.03 0.11 0.98 -0.75 4.52 4.82 1fl5B1 MET 34 HB2 0.02 -0.02 0.09 -0.04 2.15 2.20 1fl5B1 MET 34 HB3 -0.07 0.02 0.00 -0.04 2.03 1.94 1fl5B1 MET 34 HG2 -0.08 0.12 -0.44 -0.04 2.63 2.18 1fl5B1 MET 34 HG3 -0.13 -0.03 -0.13 -0.04 2.56 2.24 1fl5B1 MET 34 HE3 -0.04 -0.01 -0.03 -0.04 2.10 1.98 1fl5B1 SER 35 H -0.15 0.70 0.34 -0.55 8.46 8.81 1fl5B1 SER 35 HA 0.10 0.27 1.28 -0.75 4.49 5.39 1fl5B1 SER 35 HB2 -0.06 -0.05 -0.07 -0.04 3.95 3.73 1fl5B1 SER 35 HB3 0.19 0.05 0.06 -0.04 3.93 4.19 1fl5B1 TRP 36 H 0.03 0.59 0.37 -0.55 7.97 8.42 1fl5B1 TRP 36 HA 0.05 0.30 1.05 -0.75 4.62 5.27 1fl5B1 TRP 36 HB2 -0.02 -0.06 0.05 -0.04 3.23 3.16 1fl5B1 TRP 36 HB3 0.13 0.04 -0.05 -0.04 3.23 3.32 1fl5B1 TRP 36 HD1 0.03 -0.02 -0.21 -0.04 7.22 6.98 1fl5B1 TRP 36 HE1 0.07 0.13 -0.26 -0.04 10.20 10.10 1fl5B1 TRP 36 HE3 0.20 0.10 -0.27 -0.04 7.59 7.57 1fl5B1 TRP 36 HZ2 0.03 0.06 -0.59 -0.04 7.44 6.90 1fl5B1 TRP 36 HZ3 0.10 -0.00 -0.34 -0.04 7.13 6.85 1fl5B1 TRP 36 HH2 0.03 0.02 -0.48 -0.04 7.19 6.73 1fl5B1 VAL 37 H 0.34 0.76 0.34 -0.55 8.24 9.14 1fl5B1 VAL 37 HA 0.18 0.15 0.90 -0.75 4.13 4.61 1fl5B1 VAL 37 HB 0.45 -0.01 -0.03 -0.04 2.12 2.49 1fl5B1 VAL 37 HG13 0.41 0.01 -0.21 -0.04 0.97 1.13 1fl5B1 VAL 37 HG23 0.17 -0.03 -0.28 -0.04 0.95 0.77 1fl5B1 ARG 38 H 0.13 0.65 0.35 -0.55 8.46 9.04 1fl5B1 ARG 38 HA -0.02 0.29 1.13 -0.75 4.34 4.98 1fl5B1 ARG 38 HB2 -0.75 0.02 -0.08 -0.04 1.90 1.05 1fl5B1 ARG 38 HB3 -0.48 -0.06 -0.17 -0.04 1.80 1.06 1fl5B1 ARG 38 HG2 -0.02 -0.00 -0.04 -0.04 1.67 1.56 1fl5B1 ARG 38 HG3 -0.07 0.02 -0.29 -0.04 1.67 1.28 1fl5B1 ARG 38 HD2 -0.16 0.10 -0.21 -0.04 3.22 2.90 1fl5B1 ARG 38 HD3 -0.05 -0.03 -0.15 -0.04 3.22 2.95 1fl5B1 GLN 39 H -0.10 0.47 0.15 -0.55 8.47 8.44 1fl5B1 GLN 39 HA 0.06 0.27 0.71 -0.75 4.36 4.64 1fl5B1 GLN 39 HB2 0.22 -0.07 -0.25 -0.04 2.15 2.01 1fl5B1 GLN 39 HB3 0.18 -0.08 0.09 -0.04 2.02 2.17 1fl5B1 GLN 39 HG2 0.07 0.11 -0.26 -0.04 2.40 2.28 1fl5B1 GLN 39 HG3 0.08 0.10 -0.20 -0.04 2.39 2.32 1fl5B1 GLN 39 HE21 0.01 -0.05 -0.04 -0.04 6.97 6.84 1fl5B1 GLN 39 HE22 0.04 -0.01 -0.03 -0.04 7.69 7.65 1fl5B1 PRO 40 HA 0.02 0.16 0.68 -0.51 4.44 4.79 1fl5B1 PRO 40 HB2 0.03 -0.02 -0.02 -0.04 2.28 2.24 1fl5B1 PRO 40 HB3 0.04 0.16 0.14 -0.04 2.02 2.31 1fl5B1 PRO 40 HG2 0.03 -0.01 0.03 -0.04 2.03 2.04 1fl5B1 PRO 40 HG3 0.01 0.11 -0.02 -0.04 2.03 2.08 1fl5B1 PRO 40 HD2 0.03 0.08 0.05 -0.04 3.68 3.80 1fl5B1 PRO 40 HD3 0.02 0.13 -0.01 -0.04 3.65 3.75 1fl5B1 PRO 41 HA 0.03 -0.02 0.42 -0.51 4.44 4.37 1fl5B1 PRO 41 HB2 0.05 0.03 0.07 -0.04 2.28 2.38 1fl5B1 PRO 41 HB3 0.02 0.00 0.07 -0.04 2.02 2.07 1fl5B1 PRO 41 HG2 0.03 0.02 0.03 -0.04 2.03 2.06 1fl5B1 PRO 41 HG3 0.01 0.02 0.05 -0.04 2.03 2.06 1fl5B1 PRO 41 HD2 0.05 0.13 0.15 -0.04 3.68 3.96 1fl5B1 PRO 41 HD3 0.03 0.14 0.16 -0.04 3.65 3.94 1fl5B1 GLY 42 H 0.03 0.09 0.17 -0.55 8.43 8.18 1fl5B1 GLY 42 HA2 0.03 -0.03 0.35 -0.51 4.01 3.85 1fl5B1 GLY 42 HA3 0.04 0.04 0.39 -0.51 4.01 3.97 1fl5B1 LYS 43 H 0.04 0.53 -0.29 -0.55 8.42 8.14 1fl5B1 LYS 43 HA 0.03 0.17 0.99 -0.75 4.32 4.75 1fl5B1 LYS 43 HB2 0.04 0.09 -0.03 -0.04 1.87 1.93 1fl5B1 LYS 43 HB3 0.04 -0.14 0.15 -0.04 1.79 1.79 1fl5B1 LYS 43 HG2 0.03 0.00 -0.10 -0.04 1.46 1.35 1fl5B1 LYS 43 HG3 0.04 0.15 -0.32 -0.04 1.46 1.28 1fl5B1 LYS 43 HD2 0.03 0.03 -0.03 -0.04 1.69 1.68 1fl5B1 LYS 43 HD3 0.03 -0.05 0.01 -0.04 1.68 1.63 1fl5B1 LYS 43 HE2 0.03 -0.02 -0.02 -0.04 2.99 2.93 1fl5B1 LYS 43 HE3 0.04 0.04 -0.04 -0.04 2.99 2.99 1fl5B1 ALA 44 H 0.04 0.07 0.14 -0.55 8.40 8.10 1fl5B1 ALA 44 HA 0.03 0.07 0.57 -0.75 4.34 4.26 1fl5B1 ALA 44 HB3 0.04 -0.00 0.10 -0.04 1.41 1.51 1fl5B1 LEU 45 H 0.05 0.03 0.17 -0.55 8.37 8.08 1fl5B1 LEU 45 HA 0.12 0.22 0.52 -0.75 4.35 4.45 1fl5B1 LEU 45 HB2 0.10 -0.06 0.08 -0.04 1.64 1.72 1fl5B1 LEU 45 HB3 0.18 -0.02 -0.05 -0.04 1.64 1.71 1fl5B1 LEU 45 HG 0.01 -0.02 0.07 -0.04 1.64 1.67 1fl5B1 LEU 45 HD13 -0.06 -0.01 -0.03 -0.04 0.93 0.79 1fl5B1 LEU 45 HD23 0.04 0.01 -0.10 -0.04 0.89 0.80 1fl5B1 GLU 46 H 0.15 0.70 0.37 -0.55 8.60 9.27 1fl5B1 GLU 46 HA 0.17 0.11 1.00 -0.75 4.29 4.81 1fl5B1 GLU 46 HB2 0.08 0.11 -0.11 -0.04 2.09 2.12 1fl5B1 GLU 46 HB3 0.07 -0.03 0.09 -0.04 1.99 2.08 1fl5B1 GLU 46 HG2 0.12 0.15 -0.19 -0.04 2.34 2.38 1fl5B1 GLU 46 HG3 0.10 -0.04 0.04 -0.04 2.34 2.40 1fl5B1 TRP 47 H 0.36 0.14 0.13 -0.55 7.97 8.06 1fl5B1 TRP 47 HA 0.13 0.07 0.61 -0.75 4.62 4.68 1fl5B1 TRP 47 HB2 0.09 0.02 0.09 -0.04 3.23 3.39 1fl5B1 TRP 47 HB3 0.07 -0.02 0.10 -0.04 3.23 3.34 1fl5B1 TRP 47 HD1 0.09 0.02 -0.06 -0.04 7.22 7.22 1fl5B1 TRP 47 HE1 0.19 0.02 -0.17 -0.04 10.20 10.20 1fl5B1 TRP 47 HE3 0.03 -0.03 -0.25 -0.04 7.59 7.30 1fl5B1 TRP 47 HZ2 -0.31 0.00 -0.22 -0.04 7.44 6.87 1fl5B1 TRP 47 HZ3 -0.06 0.08 -0.48 -0.04 7.13 6.63 1fl5B1 TRP 47 HH2 -0.45 -0.01 -0.30 -0.04 7.19 6.39 1fl5B1 LEU 48 H -0.51 0.57 0.48 -0.55 8.37 8.37 1fl5B1 LEU 48 HA -0.19 0.10 0.92 -0.75 4.35 4.43 1fl5B1 LEU 48 HB2 0.00 0.13 -0.00 -0.04 1.64 1.73 1fl5B1 LEU 48 HB3 0.00 -0.05 -0.04 -0.04 1.64 1.51 1fl5B1 LEU 48 HG 0.08 0.04 -0.21 -0.04 1.64 1.51 1fl5B1 LEU 48 HD13 0.38 -0.00 -0.20 -0.04 0.93 1.07 1fl5B1 LEU 48 HD23 -0.03 0.01 -0.17 -0.04 0.89 0.67 1fl5B1 GLY 49 H -1.44 0.24 0.33 -0.55 8.43 7.01 1fl5B1 GLY 49 HA2 -2.25 -0.03 0.21 -0.51 4.01 1.43 1fl5B1 GLY 49 HA3 -0.76 0.30 0.85 -0.51 4.01 3.89 1fl5B1 PHE 50 H -0.44 0.37 0.34 -0.55 8.34 8.05 1fl5B1 PHE 50 HA 0.06 0.27 0.93 -0.75 4.62 5.13 1fl5B1 PHE 50 HB2 0.21 0.06 -0.02 -0.04 3.15 3.36 1fl5B1 PHE 50 HB3 0.40 -0.04 -0.17 -0.04 3.06 3.21 1fl5B1 PHE 50 HD2 0.26 0.04 -0.47 -0.04 7.28 7.07 1fl5B1 PHE 50 HE2 0.06 0.02 -0.16 -0.04 7.38 7.25 1fl5B1 PHE 50 HZ 0.16 0.01 -0.10 -0.04 7.32 7.35 1fl5B1 ILE 51 H 0.25 0.56 0.37 -0.55 8.25 8.88 1fl5B1 ILE 51 HA 0.15 0.24 0.86 -0.75 4.18 4.67 1fl5B1 ILE 51 HB 0.14 -0.04 -0.08 -0.04 1.89 1.86 1fl5B1 ILE 51 HG12 0.14 0.09 -0.12 -0.04 1.49 1.55 1fl5B1 ILE 51 HG13 0.12 0.21 -0.15 -0.04 1.21 1.35 1fl5B1 ILE 51 HG23 0.12 0.01 0.03 -0.04 0.93 1.06 1fl5B1 ILE 51 HD13 0.12 -0.01 -0.10 -0.04 0.88 0.85 1fl5B1 ARG 52 H -0.03 0.86 0.08 -0.55 8.46 8.82 1fl5B1 ARG 52 HA -1.12 0.01 0.48 -0.75 4.34 2.95 1fl5B1 ARG 52 HB2 -0.26 0.00 0.05 -0.04 1.90 1.65 1fl5B1 ARG 52 HB3 -0.66 -0.14 0.12 -0.04 1.80 1.08 1fl5B1 ARG 52 HG2 -1.72 -0.04 -0.05 -0.04 1.67 -0.19 1fl5B1 ARG 52 HG3 -0.15 0.09 -0.12 -0.04 1.67 1.46 1fl5B1 ARG 52 HD2 -0.08 0.04 -0.03 -0.04 3.22 3.12 1fl5B1 ARG 52 HD3 -0.20 -0.04 -0.01 -0.04 3.22 2.93 1fl5B1 ASN 521 H -0.35 0.04 0.02 -0.55 8.53 7.69 1fl5B1 ASN 521 HA 0.04 0.34 0.61 -0.75 4.76 5.00 1fl5B1 ASN 521 HB2 -0.01 0.14 0.03 -0.04 2.88 3.00 1fl5B1 ASN 521 HB3 0.12 -0.01 -0.56 -0.04 2.79 2.30 1fl5B1 ASN 521 HD21 0.04 -0.04 0.01 -0.04 7.03 7.00 1fl5B1 ASN 521 HD22 -0.01 0.46 0.03 -0.04 7.74 8.18 1fl5B1 LYS 522 H -0.13 0.67 0.25 -0.55 8.42 8.65 1fl5B1 LYS 522 HA -1.07 0.06 0.40 -0.75 4.32 2.96 1fl5B1 LYS 522 HB2 0.01 0.11 0.17 -0.04 1.87 2.12 1fl5B1 LYS 522 HB3 -0.08 -0.01 0.07 -0.04 1.79 1.72 1fl5B1 LYS 522 HG2 -0.09 0.00 -0.06 -0.04 1.46 1.26 1fl5B1 LYS 522 HG3 0.01 0.00 0.05 -0.04 1.46 1.49 1fl5B1 LYS 522 HD2 0.07 -0.03 -0.02 -0.04 1.69 1.67 1fl5B1 LYS 522 HD3 0.00 0.01 -0.05 -0.04 1.68 1.60 1fl5B1 LYS 522 HE2 0.03 0.02 -0.02 -0.04 2.99 2.98 1fl5B1 LYS 522 HE3 0.10 -0.00 -0.00 -0.04 2.99 3.04 1fl5B1 ALA 523 H -0.12 0.15 -0.10 -0.55 8.40 7.78 1fl5B1 ALA 523 HA -0.09 0.11 0.42 -0.75 4.34 4.04 1fl5B1 ALA 523 HB3 -0.04 0.01 0.07 -0.04 1.41 1.41 1fl5B1 ASN 53 H -0.22 0.24 -0.82 -0.55 8.53 7.18 1fl5B1 ASN 53 HA -0.08 0.21 0.74 -0.75 4.76 4.87 1fl5B1 ASN 53 HB2 -0.20 -0.06 0.01 -0.04 2.88 2.59 1fl5B1 ASN 53 HB3 -0.11 -0.01 0.16 -0.04 2.79 2.79 1fl5B1 ASN 53 HD21 0.10 0.05 -0.13 -0.04 7.03 7.00 1fl5B1 ASN 53 HD22 0.06 -0.12 -0.16 -0.04 7.74 7.47 1fl5B1 GLY 54 H -0.27 0.44 -0.04 -0.55 8.43 8.01 1fl5B1 GLY 54 HA2 -0.21 0.03 0.32 -0.51 4.01 3.64 1fl5B1 GLY 54 HA3 -0.08 0.05 0.35 -0.51 4.01 3.82 1fl5B1 TYR 55 H -0.45 0.40 -0.47 -0.55 8.29 7.22 1fl5B1 TYR 55 HA -0.07 0.23 0.05 -0.75 4.56 4.02 1fl5B1 TYR 55 HB2 0.01 0.17 -0.04 -0.04 3.06 3.16 1fl5B1 TYR 55 HB3 0.01 -0.04 0.13 -0.04 2.98 3.04 1fl5B1 TYR 55 HD2 -0.03 0.25 -0.13 -0.04 7.15 7.21 1fl5B1 TYR 55 HE2 -0.03 0.01 -0.01 -0.04 6.85 6.79 1fl5B1 THR 56 H -0.03 0.22 -0.30 -0.55 8.28 7.62 1fl5B1 THR 56 HA 0.07 0.10 0.50 -0.75 4.39 4.31 1fl5B1 THR 56 HB 0.05 0.01 0.11 -0.04 4.32 4.45 1fl5B1 THR 56 HG23 0.03 0.02 0.04 -0.04 1.22 1.27 1fl5B1 THR 57 H 0.06 0.14 0.25 -0.55 8.28 8.18 1fl5B1 THR 57 HA 0.03 0.26 1.17 -0.75 4.39 5.10 1fl5B1 THR 57 HB -0.35 0.02 0.14 -0.04 4.32 4.09 1fl5B1 THR 57 HG23 0.09 0.05 0.00 -0.04 1.22 1.32 1fl5B1 GLU 58 H -0.46 0.64 0.43 -0.55 8.60 8.66 1fl5B1 GLU 58 HA -0.13 0.14 0.78 -0.75 4.29 4.32 1fl5B1 GLU 58 HB2 -1.02 -0.09 0.04 -0.04 2.09 0.98 1fl5B1 GLU 58 HB3 -0.15 0.04 0.04 -0.04 1.99 1.87 1fl5B1 GLU 58 HG2 0.01 -0.02 -0.36 -0.04 2.34 1.93 1fl5B1 GLU 58 HG3 -0.05 -0.03 -0.07 -0.04 2.34 2.15 1fl5B1 TYR 59 H 0.07 0.20 0.21 -0.55 8.29 8.22 1fl5B1 TYR 59 HA -0.26 0.30 1.12 -0.75 4.56 4.97 1fl5B1 TYR 59 HB2 -0.02 -0.06 0.07 -0.04 3.06 3.01 1fl5B1 TYR 59 HB3 -0.07 0.07 0.13 -0.04 2.98 3.06 1fl5B1 TYR 59 HD2 -0.05 0.03 -0.05 -0.04 7.15 7.03 1fl5B1 TYR 59 HE2 0.02 -0.04 -0.12 -0.04 6.85 6.66 1fl5B1 SER 60 H -0.02 0.49 0.25 -0.55 8.46 8.63 1fl5B1 SER 60 HA 0.32 0.11 0.64 -0.75 4.49 4.80 1fl5B1 SER 60 HB2 0.17 -0.07 0.16 -0.04 3.95 4.18 1fl5B1 SER 60 HB3 0.20 0.14 0.03 -0.04 3.93 4.26 1fl5B1 ALA 61 H 0.11 0.18 0.18 -0.55 8.40 8.31 1fl5B1 ALA 61 HA 0.04 0.10 0.42 -0.75 4.34 4.15 1fl5B1 ALA 61 HB3 0.04 0.02 0.12 -0.04 1.41 1.55 1fl5B1 SER 62 H 0.02 0.04 -0.21 -0.55 8.46 7.76 1fl5B1 SER 62 HA -0.04 0.16 0.44 -0.75 4.49 4.30 1fl5B1 SER 62 HB2 -0.05 0.06 0.09 -0.04 3.95 4.00 1fl5B1 SER 62 HB3 -0.00 -0.03 0.07 -0.04 3.93 3.92 1fl5B1 VAL 63 H -0.09 0.17 -0.32 -0.55 8.24 7.45 1fl5B1 VAL 63 HA -0.35 0.27 0.92 -0.75 4.13 4.22 1fl5B1 VAL 63 HB -0.91 -0.07 0.12 -0.04 2.12 1.22 1fl5B1 VAL 63 HG13 -0.55 -0.01 -0.26 -0.04 0.97 0.12 1fl5B1 VAL 63 HG23 -0.08 -0.03 -0.02 -0.04 0.95 0.78 1fl5B1 LYS 64 H -0.07 0.18 0.04 -0.55 8.42 8.02 1fl5B1 LYS 64 HA -0.32 0.01 0.45 -0.75 4.32 3.70 1fl5B1 LYS 64 HB2 0.04 0.12 0.06 -0.04 1.87 2.04 1fl5B1 LYS 64 HB3 -0.03 0.05 0.11 -0.04 1.79 1.88 1fl5B1 LYS 64 HG2 -0.04 0.02 -0.11 -0.04 1.46 1.29 1fl5B1 LYS 64 HG3 -0.02 -0.04 0.05 -0.04 1.46 1.42 1fl5B1 LYS 64 HD2 0.09 0.01 -0.06 -0.04 1.69 1.69 1fl5B1 LYS 64 HD3 0.03 0.00 -0.02 -0.04 1.68 1.65 1fl5B1 LYS 64 HE2 0.04 0.01 -0.01 -0.04 2.99 2.98 1fl5B1 LYS 64 HE3 0.10 -0.01 0.01 -0.04 2.99 3.05 1fl5B1 GLY 65 H -0.29 0.15 0.16 -0.55 8.43 7.90 1fl5B1 GLY 65 HA2 -0.10 -0.03 0.36 -0.51 4.01 3.72 1fl5B1 GLY 65 HA3 -0.07 0.15 0.61 -0.51 4.01 4.19 1fl5B1 ARG 66 H -0.10 0.48 -0.39 -0.55 8.46 7.89 1fl5B1 ARG 66 HA 0.02 0.13 0.87 -0.75 4.34 4.61 1fl5B1 ARG 66 HB2 0.05 -0.00 0.08 -0.04 1.90 1.99 1fl5B1 ARG 66 HB3 0.19 0.23 0.02 -0.04 1.80 2.20 1fl5B1 ARG 66 HG2 0.01 -0.04 -0.19 -0.04 1.67 1.41 1fl5B1 ARG 66 HG3 -0.04 0.05 -0.20 -0.04 1.67 1.44 1fl5B1 ARG 66 HD2 0.05 0.18 0.05 -0.04 3.22 3.47 1fl5B1 ARG 66 HD3 -0.00 -0.09 -0.02 -0.04 3.22 3.06 1fl5B1 PHE 67 H 0.06 0.49 0.23 -0.55 8.34 8.57 1fl5B1 PHE 67 HA -0.13 0.32 0.97 -0.75 4.62 5.02 1fl5B1 PHE 67 HB2 -0.10 -0.02 0.09 -0.04 3.15 3.07 1fl5B1 PHE 67 HB3 -0.09 -0.03 -0.11 -0.04 3.06 2.79 1fl5B1 PHE 67 HD2 -0.07 -0.11 -0.31 -0.04 7.28 6.75 1fl5B1 PHE 67 HE2 0.05 0.07 -0.12 -0.04 7.38 7.33 1fl5B1 PHE 67 HZ 0.02 -0.00 -0.08 -0.04 7.32 7.22 1fl5B1 THR 68 H -0.06 0.69 0.30 -0.55 8.28 8.66 1fl5B1 THR 68 HA 0.06 0.17 1.00 -0.75 4.39 4.85 1fl5B1 THR 68 HB -0.03 -0.07 0.09 -0.04 4.32 4.28 1fl5B1 THR 68 HG23 0.07 -0.00 -0.23 -0.04 1.22 1.02 1fl5B1 ILE 69 H 0.43 0.16 0.10 -0.55 8.25 8.40 1fl5B1 ILE 69 HA 0.13 0.22 0.87 -0.75 4.18 4.64 1fl5B1 ILE 69 HB 0.13 -0.02 0.02 -0.04 1.89 1.97 1fl5B1 ILE 69 HG12 0.19 0.06 -0.08 -0.04 1.49 1.63 1fl5B1 ILE 69 HG13 0.27 -0.08 -0.21 -0.04 1.21 1.16 1fl5B1 ILE 69 HG23 0.32 0.04 -0.13 -0.04 0.93 1.13 1fl5B1 ILE 69 HD13 0.06 0.01 -0.25 -0.04 0.88 0.67 1fl5B1 SER 70 H 0.26 0.47 0.27 -0.55 8.46 8.91 1fl5B1 SER 70 HA 0.15 0.18 0.60 -0.75 4.49 4.67 1fl5B1 SER 70 HB2 0.13 -0.02 0.08 -0.04 3.95 4.09 1fl5B1 SER 70 HB3 0.11 0.11 -0.25 -0.04 3.93 3.85 1fl5B1 ARG 71 H 0.12 0.28 0.20 -0.55 8.46 8.51 1fl5B1 ARG 71 HA 0.19 0.20 0.96 -0.75 4.34 4.93 1fl5B1 ARG 71 HB2 0.29 0.01 -0.05 -0.04 1.90 2.10 1fl5B1 ARG 71 HB3 0.15 0.06 -0.14 -0.04 1.80 1.84 1fl5B1 ARG 71 HG2 -0.04 -0.01 0.06 -0.04 1.67 1.64 1fl5B1 ARG 71 HG3 -0.24 -0.12 -0.09 -0.04 1.67 1.19 1fl5B1 ARG 71 HD2 0.01 0.03 -0.10 -0.04 3.22 3.12 1fl5B1 ARG 71 HD3 -0.04 0.07 -0.04 -0.04 3.22 3.17 1fl5B1 ASP 72 H 0.07 0.72 0.21 -0.55 8.40 8.86 1fl5B1 ASP 72 HA 0.08 0.17 0.86 -0.75 4.63 4.98 1fl5B1 ASP 72 HB2 0.31 0.09 0.03 -0.04 2.71 3.09 1fl5B1 ASP 72 HB3 0.02 -0.04 0.23 -0.04 2.70 2.87 1fl5B1 ASN 73 H -0.01 0.31 -0.01 -0.55 8.53 8.28 1fl5B1 ASN 73 HA 0.24 0.07 0.37 -0.75 4.76 4.69 1fl5B1 ASN 73 HB2 -0.04 0.03 0.09 -0.04 2.88 2.92 1fl5B1 ASN 73 HB3 0.06 -0.01 0.03 -0.04 2.79 2.84 1fl5B1 ASN 73 HD21 -1.71 0.09 -0.03 -0.04 7.03 5.33 1fl5B1 ASN 73 HD22 -0.47 0.01 0.02 -0.04 7.74 7.25 1fl5B1 SER 74 H 0.00 0.10 -0.13 -0.55 8.46 7.88 1fl5B1 SER 74 HA -0.00 0.10 0.44 -0.75 4.49 4.28 1fl5B1 SER 74 HB2 -0.01 0.06 0.06 -0.04 3.95 4.02 1fl5B1 SER 74 HB3 0.00 -0.00 0.09 -0.04 3.93 3.98 1fl5B1 GLN 75 H -0.06 0.11 -0.25 -0.55 8.47 7.72 1fl5B1 GLN 75 HA -0.10 0.21 0.78 -0.75 4.36 4.50 1fl5B1 GLN 75 HB2 -0.07 -0.03 0.02 -0.04 2.15 2.03 1fl5B1 GLN 75 HB3 -0.09 0.04 0.10 -0.04 2.02 2.03 1fl5B1 GLN 75 HG2 -0.04 0.07 -0.07 -0.04 2.40 2.32 1fl5B1 GLN 75 HG3 -0.02 -0.12 -0.12 -0.04 2.39 2.09 1fl5B1 GLN 75 HE21 0.04 0.02 -0.03 -0.04 6.97 6.97 1fl5B1 GLN 75 HE22 0.03 -0.06 -0.02 -0.04 7.69 7.60 1fl5B1 SER 76 H -0.21 0.11 -0.27 -0.55 8.46 7.55 1fl5B1 SER 76 HA -1.25 -0.05 0.28 -0.75 4.49 2.71 1fl5B1 SER 76 HB2 -1.06 -0.11 0.14 -0.04 3.95 2.88 1fl5B1 SER 76 HB3 -0.36 -0.00 -0.03 -0.04 3.93 3.49 1fl5B1 ILE 77 H -0.37 0.27 0.04 -0.55 8.25 7.65 1fl5B1 ILE 77 HA -0.37 0.28 1.08 -0.75 4.18 4.42 1fl5B1 ILE 77 HB -0.31 -0.13 0.01 -0.04 1.89 1.42 1fl5B1 ILE 77 HG12 -0.22 0.09 -0.13 -0.04 1.49 1.19 1fl5B1 ILE 77 HG13 -0.20 -0.04 -0.37 -0.04 1.21 0.56 1fl5B1 ILE 77 HG23 -0.50 0.01 -0.25 -0.04 0.93 0.15 1fl5B1 ILE 77 HD13 -0.06 -0.01 -0.06 -0.04 0.88 0.71 1fl5B1 LEU 78 H -0.13 0.75 0.33 -0.55 8.37 8.76 1fl5B1 LEU 78 HA 0.14 0.14 1.01 -0.75 4.35 4.88 1fl5B1 LEU 78 HB2 0.26 -0.02 -0.02 -0.04 1.64 1.81 1fl5B1 LEU 78 HB3 0.03 0.00 0.13 -0.04 1.64 1.76 1fl5B1 LEU 78 HG 0.59 0.10 -0.26 -0.04 1.64 2.03 1fl5B1 LEU 78 HD13 0.23 0.02 -0.02 -0.04 0.93 1.12 1fl5B1 LEU 78 HD23 -0.56 -0.03 -0.17 -0.04 0.89 0.09 1fl5B1 TYR 79 H 0.31 0.80 0.39 -0.55 8.29 9.24 1fl5B1 TYR 79 HA 0.24 0.34 1.09 -0.75 4.56 5.48 1fl5B1 TYR 79 HB2 0.08 -0.07 -0.03 -0.04 3.06 3.00 1fl5B1 TYR 79 HB3 -0.00 0.00 -0.03 -0.04 2.98 2.91 1fl5B1 TYR 79 HD2 0.04 0.07 -0.24 -0.04 7.15 6.98 1fl5B1 TYR 79 HE2 0.01 -0.03 -0.15 -0.04 6.85 6.64 1fl5B1 LEU 80 H -0.11 0.56 0.18 -0.55 8.37 8.45 1fl5B1 LEU 80 HA -0.34 0.17 0.72 -0.75 4.35 4.15 1fl5B1 LEU 80 HB2 -2.62 0.01 -0.15 -0.04 1.64 -1.16 1fl5B1 LEU 80 HB3 -1.26 -0.07 0.09 -0.04 1.64 0.36 1fl5B1 LEU 80 HG -0.61 0.04 -0.42 -0.04 1.64 0.61 1fl5B1 LEU 80 HD13 -0.30 0.00 -0.19 -0.04 0.93 0.40 1fl5B1 LEU 80 HD23 -0.48 -0.01 -0.15 -0.04 0.89 0.21 1fl5B1 GLN 81 H -0.15 0.76 0.23 -0.55 8.47 8.77 1fl5B1 GLN 81 HA -0.25 0.12 0.88 -0.75 4.36 4.35 1fl5B1 GLN 81 HB2 -0.13 -0.05 0.05 -0.04 2.15 1.98 1fl5B1 GLN 81 HB3 -0.11 -0.00 0.20 -0.04 2.02 2.07 1fl5B1 GLN 81 HG2 -0.11 -0.03 -0.08 -0.04 2.40 2.15 1fl5B1 GLN 81 HG3 -0.16 0.05 -0.28 -0.04 2.39 1.96 1fl5B1 GLN 81 HE21 -0.14 -0.08 -0.27 -0.04 6.97 6.45 1fl5B1 GLN 81 HE22 -0.17 0.10 -0.18 -0.04 7.69 7.41 1fl5B1 MET 82 H -0.39 0.83 0.42 -0.55 8.47 8.78 1fl5B1 MET 82 HA -0.92 0.13 0.96 -0.75 4.52 3.94 1fl5B1 MET 82 HB2 -0.54 -0.04 0.16 -0.04 2.15 1.69 1fl5B1 MET 82 HB3 -1.01 0.03 -0.06 -0.04 2.03 0.94 1fl5B1 MET 82 HG2 -1.94 -0.02 -0.18 -0.04 2.63 0.45 1fl5B1 MET 82 HG3 -0.82 0.02 -0.30 -0.04 2.56 1.41 1fl5B1 MET 82 HE3 -0.34 0.01 -0.11 -0.04 2.10 1.63 1fl5B1 ASN 821 H -0.13 0.47 0.13 -0.55 8.53 8.46 1fl5B1 ASN 821 HA -0.09 0.16 0.92 -0.75 4.76 4.99 1fl5B1 ASN 821 HB2 -0.02 0.13 0.07 -0.04 2.88 3.02 1fl5B1 ASN 821 HB3 -0.04 -0.07 0.10 -0.04 2.79 2.73 1fl5B1 ASN 821 HD21 -0.08 -0.11 -0.12 -0.04 7.03 6.68 1fl5B1 ASN 821 HD22 -0.05 0.18 -0.02 -0.04 7.74 7.81 1fl5B1 THR 822 H -0.02 0.20 0.06 -0.55 8.28 7.97 1fl5B1 THR 822 HA 0.01 0.03 0.31 -0.75 4.39 3.99 1fl5B1 THR 822 HB 0.06 0.17 0.04 -0.04 4.32 4.54 1fl5B1 THR 822 HG23 0.02 -0.02 0.06 -0.04 1.22 1.24 1fl5B1 LEU 823 H 0.01 0.36 -0.24 -0.55 8.37 7.96 1fl5B1 LEU 823 HA 0.13 0.09 0.42 -0.75 4.35 4.24 1fl5B1 LEU 823 HB2 0.00 -0.03 -0.07 -0.04 1.64 1.49 1fl5B1 LEU 823 HB3 0.04 0.04 -0.19 -0.04 1.64 1.49 1fl5B1 LEU 823 HG -0.09 0.09 -0.37 -0.04 1.64 1.23 1fl5B1 LEU 823 HD13 -0.10 -0.01 -0.29 -0.04 0.93 0.49 1fl5B1 LEU 823 HD23 0.02 0.01 -0.16 -0.04 0.89 0.71 1fl5B1 ARG 83 H 0.11 0.17 0.17 -0.55 8.46 8.35 1fl5B1 ARG 83 HA 0.05 0.14 0.79 -0.75 4.34 4.56 1fl5B1 ARG 83 HB2 0.05 -0.03 0.00 -0.04 1.90 1.88 1fl5B1 ARG 83 HB3 0.04 -0.10 0.16 -0.04 1.80 1.86 1fl5B1 ARG 83 HG2 0.03 0.01 -0.08 -0.04 1.67 1.59 1fl5B1 ARG 83 HG3 0.05 0.21 -0.01 -0.04 1.67 1.88 1fl5B1 ARG 83 HD2 0.02 0.00 0.01 -0.04 3.22 3.21 1fl5B1 ARG 83 HD3 0.02 -0.06 0.02 -0.04 3.22 3.16 1fl5B1 ALA 84 H 0.05 0.15 0.18 -0.55 8.40 8.23 1fl5B1 ALA 84 HA 0.08 0.31 0.56 -0.75 4.34 4.53 1fl5B1 ALA 84 HB3 0.05 0.01 0.17 -0.04 1.41 1.60 1fl5B1 GLU 85 H 0.05 0.06 -0.04 -0.55 8.60 8.12 1fl5B1 GLU 85 HA 0.06 0.15 0.43 -0.75 4.29 4.17 1fl5B1 GLU 85 HB2 0.03 0.06 0.15 -0.04 2.09 2.29 1fl5B1 GLU 85 HB3 0.04 -0.02 0.12 -0.04 1.99 2.08 1fl5B1 GLU 85 HG2 0.04 -0.15 0.00 -0.04 2.34 2.19 1fl5B1 GLU 85 HG3 0.03 0.09 -0.18 -0.04 2.34 2.23 1fl5B1 ASP 86 H 0.10 0.24 -0.92 -0.55 8.40 7.27 1fl5B1 ASP 86 HA 0.16 0.12 0.54 -0.75 4.63 4.70 1fl5B1 ASP 86 HB2 0.17 0.21 0.00 -0.04 2.71 3.05 1fl5B1 ASP 86 HB3 0.34 -0.02 0.01 -0.04 2.70 2.99 1fl5B1 SER 87 H 0.11 0.45 -0.09 -0.55 8.46 8.39 1fl5B1 SER 87 HA 0.15 0.19 0.61 -0.75 4.49 4.69 1fl5B1 SER 87 HB2 0.09 0.02 0.23 -0.04 3.95 4.25 1fl5B1 SER 87 HB3 0.08 -0.03 0.16 -0.04 3.93 4.10 1fl5B1 ALA 88 H 0.17 0.53 0.45 -0.55 8.40 9.00 1fl5B1 ALA 88 HA 0.02 0.01 0.45 -0.75 4.34 4.06 1fl5B1 ALA 88 HB3 -0.15 0.05 -0.43 -0.04 1.41 0.84 1fl5B1 THR 89 H -0.05 0.74 0.24 -0.55 8.28 8.66 1fl5B1 THR 89 HA -0.00 0.13 0.72 -0.75 4.39 4.48 1fl5B1 THR 89 HB -0.07 0.04 0.12 -0.04 4.32 4.37 1fl5B1 THR 89 HG23 -0.46 -0.02 -0.25 -0.04 1.22 0.46 1fl5B1 TYR 90 H 0.18 0.69 0.29 -0.55 8.29 8.90 1fl5B1 TYR 90 HA 0.14 0.23 1.03 -0.75 4.56 5.21 1fl5B1 TYR 90 HB2 0.09 0.02 0.13 -0.04 3.06 3.25 1fl5B1 TYR 90 HB3 0.30 -0.02 -0.08 -0.04 2.98 3.14 1fl5B1 TYR 90 HD2 0.09 0.04 -0.10 -0.04 7.15 7.14 1fl5B1 TYR 90 HE2 0.17 0.05 -0.07 -0.04 6.85 6.97 1fl5B1 TYR 91 H 0.45 0.84 0.38 -0.55 8.29 9.40 1fl5B1 TYR 91 HA 0.26 0.04 0.94 -0.75 4.56 5.05 1fl5B1 TYR 91 HB2 0.43 -0.03 -0.00 -0.04 3.06 3.42 1fl5B1 TYR 91 HB3 0.48 0.05 -0.07 -0.04 2.98 3.41 1fl5B1 TYR 91 HD2 0.23 0.04 -0.27 -0.04 7.15 7.11 1fl5B1 TYR 91 HE2 0.06 0.09 -0.23 -0.04 6.85 6.72 1fl5B1 CYS 92 H 0.02 0.05 0.21 -0.55 8.50 8.23 1fl5B1 CYS 92 HA -0.81 0.37 1.06 -0.75 4.58 4.45 1fl5B1 CYS 92 HB2 -0.78 0.05 -0.01 -0.04 2.97 2.19 1fl5B1 CYS 92 HB3 -2.06 0.04 -0.05 -0.04 2.97 0.86 1fl5B1 ALA 93 H -0.47 0.63 0.29 -0.55 8.40 8.30 1fl5B1 ALA 93 HA -0.43 0.25 0.91 -0.75 4.34 4.32 1fl5B1 ALA 93 HB3 -1.19 -0.01 -0.16 -0.04 1.41 0.02 1fl5B1 ARG 94 H -0.26 0.61 0.27 -0.55 8.46 8.53 1fl5B1 ARG 94 HA -0.16 0.14 0.70 -0.75 4.34 4.26 1fl5B1 ARG 94 HB2 -0.38 0.06 0.03 -0.04 1.90 1.57 1fl5B1 ARG 94 HB3 -0.34 -0.10 0.15 -0.04 1.80 1.47 1fl5B1 ARG 94 HG2 -0.53 -0.07 -0.32 -0.04 1.67 0.71 1fl5B1 ARG 94 HG3 -0.53 0.09 -0.06 -0.04 1.67 1.13 1fl5B1 ARG 94 HD2 -2.31 0.02 -0.15 -0.04 3.22 0.74 1fl5B1 ARG 94 HD3 -1.97 0.05 -0.11 -0.04 3.22 1.15 1fl5B1 ASP 95 H -0.05 0.69 0.25 -0.55 8.40 8.74 1fl5B1 ASP 95 HA -0.11 0.27 0.95 -0.75 4.63 4.99 1fl5B1 ASP 95 HB2 0.01 0.04 0.16 -0.04 2.71 2.88 1fl5B1 ASP 95 HB3 -0.10 -0.01 0.16 -0.04 2.70 2.70 1fl5B1 GLY 96 H -0.13 0.13 -0.30 -0.55 8.43 7.58 1fl5B1 GLY 96 HA2 0.14 0.19 0.84 -0.51 4.01 4.68 1fl5B1 GLY 96 HA3 -0.03 0.02 0.23 -0.51 4.01 3.72 1fl5B1 SER 97 H -0.05 0.16 0.10 -0.55 8.46 8.12 1fl5B1 SER 97 HA -0.14 0.04 0.29 -0.75 4.49 3.93 1fl5B1 SER 97 HB2 -0.03 0.11 -0.18 -0.04 3.95 3.82 1fl5B1 SER 97 HB3 0.01 0.05 0.14 -0.04 3.93 4.08 1fl5B1 TYR 98 H -0.31 0.03 -0.37 -0.55 8.29 7.09 1fl5B1 TYR 98 HA -0.08 0.00 0.20 -0.75 4.56 3.93 1fl5B1 TYR 98 HB2 -0.03 0.23 -0.08 -0.04 3.06 3.14 1fl5B1 TYR 98 HB3 -0.05 -0.01 0.17 -0.04 2.98 3.05 1fl5B1 TYR 98 HD2 -0.05 0.05 -0.10 -0.04 7.15 7.00 1fl5B1 TYR 98 HE2 -0.04 0.00 -0.03 -0.04 6.85 6.74 1fl5B1 ALA 99 H -0.03 0.35 -0.58 -0.55 8.40 7.60 1fl5B1 ALA 99 HA 0.01 0.05 0.34 -0.75 4.34 3.99 1fl5B1 ALA 99 HB3 0.04 0.03 -0.13 -0.04 1.41 1.30 1fl5B1 MET 100 H 0.04 0.25 -0.06 -0.55 8.47 8.15 1fl5B1 MET 100 HA -0.18 0.24 0.75 -0.75 4.52 4.57 1fl5B1 MET 100 HB2 0.05 -0.00 0.08 -0.04 2.15 2.24 1fl5B1 MET 100 HB3 -0.67 -0.00 -0.06 -0.04 2.03 1.25 1fl5B1 MET 100 HG2 -0.11 0.06 -0.21 -0.04 2.63 2.33 1fl5B1 MET 100 HG3 -0.01 -0.05 -0.35 -0.04 2.56 2.12 1fl5B1 MET 100 HE3 0.25 0.00 -0.10 -0.04 2.10 2.21 1fl5B1 ASP 101 H -0.12 0.11 0.03 -0.55 8.40 7.88 1fl5B1 ASP 101 HA -0.03 0.25 0.81 -0.75 4.63 4.91 1fl5B1 ASP 101 HB2 -0.33 0.02 -0.05 -0.04 2.71 2.31 1fl5B1 ASP 101 HB3 -0.09 0.08 -0.19 -0.04 2.70 2.46 1fl5B1 TYR 102 H -0.07 0.18 0.09 -0.55 8.29 7.93 1fl5B1 TYR 102 HA 0.13 0.21 0.84 -0.75 4.56 4.98 1fl5B1 TYR 102 HB2 -0.23 -0.13 0.03 -0.04 3.06 2.70 1fl5B1 TYR 102 HB3 -0.05 0.10 -0.06 -0.04 2.98 2.94 1fl5B1 TYR 102 HD2 -0.13 -0.04 -0.07 -0.04 7.15 6.88 1fl5B1 TYR 102 HE2 -0.06 -0.02 -0.03 -0.04 6.85 6.69 1fl5B1 TRP 103 H 0.40 0.24 0.13 -0.55 7.97 8.20 1fl5B1 TRP 103 HA -0.01 0.18 1.12 -0.75 4.62 5.16 1fl5B1 TRP 103 HB2 -0.05 0.01 0.05 -0.04 3.23 3.21 1fl5B1 TRP 103 HB3 -0.03 0.09 0.03 -0.04 3.23 3.27 1fl5B1 TRP 103 HD1 -0.11 -0.05 -0.46 -0.04 7.22 6.56 1fl5B1 TRP 103 HE1 -0.09 0.30 -0.10 -0.04 10.20 10.27 1fl5B1 TRP 103 HE3 -0.15 0.02 -0.15 -0.04 7.59 7.27 1fl5B1 TRP 103 HZ2 -0.02 0.00 -0.08 -0.04 7.44 7.30 1fl5B1 TRP 103 HZ3 -0.06 -0.03 -0.17 -0.04 7.13 6.84 1fl5B1 TRP 103 HH2 0.02 -0.04 -0.13 -0.04 7.19 7.00 1fl5B1 GLY 104 H 0.21 0.59 0.32 -0.55 8.43 9.00 1fl5B1 GLY 104 HA2 0.14 0.27 0.52 -0.51 4.01 4.43 1fl5B1 GLY 104 HA3 0.15 -0.15 0.38 -0.51 4.01 3.88 1fl5B1 GLN 105 H 0.14 0.09 0.26 -0.55 8.47 8.42 1fl5B1 GLN 105 HA 0.19 0.17 0.61 -0.75 4.36 4.58 1fl5B1 GLN 105 HB2 0.09 0.01 0.19 -0.04 2.15 2.40 1fl5B1 GLN 105 HB3 0.09 -0.00 0.21 -0.04 2.02 2.28 1fl5B1 GLN 105 HG2 0.08 0.24 -0.16 -0.04 2.40 2.51 1fl5B1 GLN 105 HG3 0.06 -0.03 0.08 -0.04 2.39 2.46 1fl5B1 GLN 105 HE21 0.06 0.32 0.21 -0.04 6.97 7.52 1fl5B1 GLN 105 HE22 0.05 0.02 0.07 -0.04 7.69 7.79 1fl5B1 GLY 106 H 0.20 -0.16 -0.22 -0.55 8.43 7.70 1fl5B1 GLY 106 HA2 -0.17 0.20 0.32 -0.51 4.01 3.85 1fl5B1 GLY 106 HA3 -0.28 0.15 0.49 -0.51 4.01 3.86 1fl5B1 THR 107 H -0.03 0.45 0.24 -0.55 8.28 8.38 1fl5B1 THR 107 HA 0.02 0.17 0.78 -0.75 4.39 4.61 1fl5B1 THR 107 HB 0.08 0.00 -0.22 -0.04 4.32 4.15 1fl5B1 THR 107 HG23 0.13 0.05 -0.03 -0.04 1.22 1.32 1fl5B1 SER 108 H 0.01 0.17 0.09 -0.55 8.46 8.18 1fl5B1 SER 108 HA 0.06 0.19 0.75 -0.75 4.49 4.74 1fl5B1 SER 108 HB2 -0.01 -0.02 0.00 -0.04 3.95 3.89 1fl5B1 SER 108 HB3 -0.01 0.02 0.05 -0.04 3.93 3.95 1fl5B1 VAL 109 H 0.14 0.65 0.38 -0.55 8.24 8.86 1fl5B1 VAL 109 HA 0.01 0.04 0.98 -0.75 4.13 4.40 1fl5B1 VAL 109 HB 0.28 0.09 0.22 -0.04 2.12 2.67 1fl5B1 VAL 109 HG13 -0.01 -0.01 -0.24 -0.04 0.97 0.67 1fl5B1 VAL 109 HG23 -0.22 -0.01 -0.12 -0.04 0.95 0.55 1fl5B1 THR 110 H 0.02 0.73 0.21 -0.55 8.28 8.69 1fl5B1 THR 110 HA 0.07 0.13 1.05 -0.75 4.39 4.88 1fl5B1 THR 110 HB 0.03 -0.04 0.03 -0.04 4.32 4.31 1fl5B1 THR 110 HG23 0.00 -0.01 -0.09 -0.04 1.22 1.09 1fl5B1 VAL 111 H 0.10 0.20 0.10 -0.55 8.24 8.09 1fl5B1 VAL 111 HA 0.07 0.37 0.95 -0.75 4.13 4.77 1fl5B1 VAL 111 HB 0.09 -0.01 0.12 -0.04 2.12 2.28 1fl5B1 VAL 111 HG13 0.06 -0.03 -0.58 -0.04 0.97 0.37 1fl5B1 VAL 111 HG23 0.07 -0.00 -0.30 -0.04 0.95 0.68 1fl5B1 SER 112 H 0.10 0.54 0.08 -0.55 8.46 8.64 1fl5B1 SER 112 HA 0.07 0.03 0.53 -0.75 4.49 4.36 1fl5B1 SER 112 HB2 0.09 -0.08 0.09 -0.04 3.95 4.00 1fl5B1 SER 112 HB3 0.25 0.11 -0.31 -0.04 3.93 3.93 1fl5B1 SER 113 H 0.01 0.12 0.16 -0.55 8.46 8.20 1fl5B1 SER 113 HA 0.01 0.10 0.53 -0.75 4.49 4.38 1fl5B1 SER 113 HB2 -0.02 -0.03 0.11 -0.04 3.95 3.96 1fl5B1 SER 113 HB3 -0.02 0.03 0.11 -0.04 3.93 4.01 1fl5B1 ALA 114 H -0.08 -0.09 -0.32 -0.55 8.40 7.36 1fl5B1 ALA 114 HA -0.13 0.06 0.30 -0.75 4.34 3.83 1fl5B1 ALA 114 HB3 -0.51 -0.02 -0.01 -0.04 1.41 0.83 1fl5B1 SER 115 H -0.15 0.12 0.07 -0.55 8.46 7.95 1fl5B1 SER 115 HA 0.08 0.25 0.95 -0.75 4.49 5.01 1fl5B1 SER 115 HB2 0.02 0.03 -0.12 -0.04 3.95 3.83 1fl5B1 SER 115 HB3 0.04 0.00 0.05 -0.04 3.93 3.98 1fl5B1 THR 116 H 0.11 0.11 0.11 -0.55 8.28 8.07 1fl5B1 THR 116 HA 0.27 0.20 0.40 -0.75 4.39 4.50 1fl5B1 THR 116 HB 0.08 -0.09 0.22 -0.04 4.32 4.48 1fl5B1 THR 116 HG23 0.08 0.02 -0.08 -0.04 1.22 1.20 1fl5B1 LYS 117 H 0.30 0.63 0.36 -0.55 8.42 9.16 1fl5B1 LYS 117 HA 0.12 0.07 0.93 -0.75 4.32 4.68 1fl5B1 LYS 117 HB2 0.10 -0.01 -0.12 -0.04 1.87 1.79 1fl5B1 LYS 117 HB3 0.18 -0.10 0.10 -0.04 1.79 1.93 1fl5B1 LYS 117 HG2 0.09 0.42 -0.06 -0.04 1.46 1.87 1fl5B1 LYS 117 HG3 0.06 -0.09 0.05 -0.04 1.46 1.45 1fl5B1 LYS 117 HD2 0.03 -0.11 -0.05 -0.04 1.69 1.52 1fl5B1 LYS 117 HD3 0.07 -0.01 -0.14 -0.04 1.68 1.56 1fl5B1 LYS 117 HE2 0.03 -0.07 0.00 -0.04 2.99 2.91 1fl5B1 LYS 117 HE3 0.03 -0.14 0.00 -0.04 2.99 2.84 1fl5B1 GLY 118 H 0.11 0.08 0.15 -0.55 8.43 8.21 1fl5B1 GLY 118 HA2 0.21 0.06 0.49 -0.51 4.01 4.26 1fl5B1 GLY 118 HA3 0.09 0.01 0.35 -0.51 4.01 3.95 1fl5B1 PRO 119 HA 0.06 0.42 0.66 -0.51 4.44 5.07 1fl5B1 PRO 119 HB2 -0.07 0.03 -0.17 -0.04 2.28 2.03 1fl5B1 PRO 119 HB3 -0.11 -0.04 -0.15 -0.04 2.02 1.67 1fl5B1 PRO 119 HG2 -0.14 -0.02 -0.06 -0.04 2.03 1.77 1fl5B1 PRO 119 HG3 -0.33 -0.02 -0.09 -0.04 2.03 1.55 1fl5B1 PRO 119 HD2 -0.02 0.03 0.18 -0.04 3.68 3.83 1fl5B1 PRO 119 HD3 -0.30 0.14 0.13 -0.04 3.65 3.57 1fl5B1 SER 120 H -0.03 0.57 0.25 -0.55 8.46 8.70 1fl5B1 SER 120 HA -0.20 0.08 0.63 -0.75 4.49 4.25 1fl5B1 SER 120 HB2 -0.28 -0.09 0.02 -0.04 3.95 3.55 1fl5B1 SER 120 HB3 -0.35 -0.02 0.05 -0.04 3.93 3.57 1fl5B1 VAL 121 H -0.41 0.18 0.13 -0.55 8.24 7.59 1fl5B1 VAL 121 HA -0.27 0.37 1.18 -0.75 4.13 4.65 1fl5B1 VAL 121 HB -0.17 -0.04 0.09 -0.04 2.12 1.96 1fl5B1 VAL 121 HG13 -0.11 -0.01 -0.21 -0.04 0.97 0.60 1fl5B1 VAL 121 HG23 -0.15 0.02 -0.28 -0.04 0.95 0.50 1fl5B1 PHE 122 H -0.07 0.60 0.32 -0.55 8.34 8.63 1fl5B1 PHE 122 HA 0.02 0.23 1.00 -0.75 4.62 5.12 1fl5B1 PHE 122 HB2 0.04 -0.07 0.08 -0.04 3.15 3.15 1fl5B1 PHE 122 HB3 0.03 0.10 0.08 -0.04 3.06 3.23 1fl5B1 PHE 122 HD2 0.03 0.04 -0.03 -0.04 7.28 7.27 1fl5B1 PHE 122 HE2 0.02 -0.01 -0.06 -0.04 7.38 7.29 1fl5B1 PHE 122 HZ 0.02 -0.00 -0.05 -0.04 7.32 7.24 1fl5B1 PRO 123 HA 0.14 0.18 0.73 -0.51 4.44 4.98 1fl5B1 PRO 123 HB2 0.11 0.04 0.01 -0.04 2.28 2.40 1fl5B1 PRO 123 HB3 0.10 0.07 0.09 -0.04 2.02 2.24 1fl5B1 PRO 123 HG2 0.10 0.00 0.08 -0.04 2.03 2.17 1fl5B1 PRO 123 HG3 0.10 0.06 0.14 -0.04 2.03 2.28 1fl5B1 PRO 123 HD2 0.23 0.05 0.26 -0.04 3.68 4.18 1fl5B1 PRO 123 HD3 0.16 0.17 0.27 -0.04 3.65 4.21 1fl5B1 LEU 124 H 0.16 0.92 0.29 -0.55 8.37 9.19 1fl5B1 LEU 124 HA 0.08 0.13 0.77 -0.75 4.35 4.57 1fl5B1 LEU 124 HB2 0.14 -0.14 -0.01 -0.04 1.64 1.59 1fl5B1 LEU 124 HB3 0.08 0.01 -0.11 -0.04 1.64 1.58 1fl5B1 LEU 124 HG 0.15 -0.00 -0.48 -0.04 1.64 1.26 1fl5B1 LEU 124 HD13 0.15 -0.02 -0.29 -0.04 0.93 0.73 1fl5B1 LEU 124 HD23 0.08 0.01 -0.14 -0.04 0.89 0.80 1fl5B1 ALA 125 H 0.05 0.21 0.01 -0.55 8.40 8.12 1fl5B1 ALA 125 HA 0.03 0.23 0.97 -0.75 4.34 4.82 1fl5B1 ALA 125 HB3 0.04 -0.00 -0.08 -0.04 1.41 1.32 1fl5B1 PRO 126 HA -0.00 -0.04 0.47 -0.51 4.44 4.36 1fl5B1 PRO 126 HB2 -0.01 0.02 0.04 -0.04 2.28 2.29 1fl5B1 PRO 126 HB3 -0.01 -0.02 0.10 -0.04 2.02 2.06 1fl5B1 PRO 126 HG2 -0.04 -0.03 0.07 -0.04 2.03 1.99 1fl5B1 PRO 126 HG3 -0.03 0.18 0.15 -0.04 2.03 2.29 1fl5B1 PRO 126 HD2 -0.01 0.05 0.17 -0.04 3.68 3.84 1fl5B1 PRO 126 HD3 -0.02 0.20 0.28 -0.04 3.65 4.07 1fl5B1 SER 127 H 0.00 0.05 0.18 -0.55 8.46 8.15 1fl5B1 SER 127 HA 0.01 0.13 0.42 -0.75 4.49 4.29 1fl5B1 SER 127 HB2 0.00 0.07 0.15 -0.04 3.95 4.13 1fl5B1 SER 127 HB3 0.00 0.00 0.11 -0.04 3.93 4.00 1fl5B1 SER 128 H 0.00 0.13 0.12 -0.55 8.46 8.16 1fl5B1 SER 128 HA 0.00 0.09 0.31 -0.75 4.49 4.14 1fl5B1 SER 128 HB2 0.00 0.02 0.06 -0.04 3.95 4.00 1fl5B1 SER 128 HB3 0.00 0.02 0.13 -0.04 3.93 4.04 1fl5B1 LYS 129 H 0.00 -0.04 -0.66 -0.55 8.42 7.17 1fl5B1 LYS 129 HA -0.00 0.12 0.72 -0.75 4.32 4.41 1fl5B1 LYS 129 HB2 -0.00 -0.05 0.08 -0.04 1.87 1.86 1fl5B1 LYS 129 HB3 -0.00 -0.02 -0.02 -0.04 1.79 1.71 1fl5B1 LYS 129 HG2 -0.00 0.05 -0.05 -0.04 1.46 1.42 1fl5B1 LYS 129 HG3 -0.00 -0.03 -0.10 -0.04 1.46 1.29 1fl5B1 LYS 129 HD2 -0.00 -0.01 -0.02 -0.04 1.69 1.62 1fl5B1 LYS 129 HD3 -0.00 -0.01 -0.03 -0.04 1.68 1.60 1fl5B1 LYS 129 HE2 -0.00 -0.00 -0.02 -0.04 2.99 2.92 1fl5B1 LYS 129 HE3 -0.00 0.01 -0.03 -0.04 2.99 2.93 1fl5B1 SER 130 H -0.00 0.26 0.00 -0.55 8.46 8.17 1fl5B1 SER 130 HA -0.00 0.10 0.86 -0.75 4.49 4.70 1fl5B1 SER 130 HB2 -0.00 0.12 -0.11 -0.04 3.95 3.91 1fl5B1 SER 130 HB3 -0.00 -0.01 0.14 -0.04 3.93 4.01 1fl5B1 THR 131 H -0.00 0.15 -0.03 -0.55 8.28 7.84 1fl5B1 THR 131 HA -0.00 -0.00 0.27 -0.75 4.39 3.90 1fl5B1 THR 131 HB -0.00 -0.01 0.02 -0.04 4.32 4.28 1fl5B1 THR 131 HG23 -0.00 0.00 -0.14 -0.04 1.22 1.04 1fl5B1 SER 132 H -0.00 0.09 0.10 -0.55 8.46 8.10 1fl5B1 SER 132 HA -0.00 0.19 0.57 -0.75 4.49 4.49 1fl5B1 SER 132 HB2 -0.00 -0.05 0.23 -0.04 3.95 4.08 1fl5B1 SER 132 HB3 -0.00 0.03 0.20 -0.04 3.93 4.13 1fl5B1 GLY 133 H -0.00 0.61 -0.16 -0.55 8.43 8.33 1fl5B1 GLY 133 HA2 -0.00 0.17 0.76 -0.51 4.01 4.43 1fl5B1 GLY 133 HA3 -0.00 -0.06 0.29 -0.51 4.01 3.72 1fl5B1 GLY 134 H -0.01 0.04 0.16 -0.55 8.43 8.08 1fl5B1 GLY 134 HA2 -0.00 0.24 1.03 -0.51 4.01 4.77 1fl5B1 GLY 134 HA3 -0.00 0.03 0.33 -0.51 4.01 3.86 1fl5B1 THR 135 H -0.01 0.06 0.21 -0.55 8.28 8.00 1fl5B1 THR 135 HA -0.02 0.12 1.10 -0.75 4.39 4.84 1fl5B1 THR 135 HB -0.03 0.09 0.03 -0.04 4.32 4.37 1fl5B1 THR 135 HG23 -0.01 -0.02 -0.10 -0.04 1.22 1.05 1fl5B1 ALA 136 H -0.05 0.63 0.19 -0.55 8.40 8.63 1fl5B1 ALA 136 HA -0.04 0.10 0.91 -0.75 4.34 4.56 1fl5B1 ALA 136 HB3 -0.05 0.02 -0.05 -0.04 1.41 1.29 1fl5B1 ALA 137 H -0.04 0.10 0.17 -0.55 8.40 8.09 1fl5B1 ALA 137 HA -0.11 0.30 0.92 -0.75 4.34 4.70 1fl5B1 ALA 137 HB3 -0.02 -0.02 0.03 -0.04 1.41 1.35 1fl5B1 LEU 138 H -0.17 0.53 0.41 -0.55 8.37 8.60 1fl5B1 LEU 138 HA -0.02 0.18 0.59 -0.75 4.35 4.35 1fl5B1 LEU 138 HB2 -0.04 0.06 0.21 -0.04 1.64 1.83 1fl5B1 LEU 138 HB3 -0.14 0.06 -0.12 -0.04 1.64 1.40 1fl5B1 LEU 138 HG -0.42 0.03 -0.08 -0.04 1.64 1.13 1fl5B1 LEU 138 HD13 -0.15 -0.01 -0.24 -0.04 0.93 0.48 1fl5B1 LEU 138 HD23 -0.66 0.00 -0.15 -0.04 0.89 0.05 1fl5B1 GLY 139 H 0.14 0.64 0.39 -0.55 8.43 9.06 1fl5B1 GLY 139 HA2 0.58 0.03 0.51 -0.51 4.01 4.63 1fl5B1 GLY 139 HA3 0.27 0.11 0.61 -0.51 4.01 4.48 1fl5B1 CYS 140 H 0.42 0.73 0.42 -0.55 8.50 9.51 1fl5B1 CYS 140 HA 0.16 0.26 1.00 -0.75 4.58 5.24 1fl5B1 CYS 140 HB2 -0.01 -0.05 0.02 -0.04 2.97 2.89 1fl5B1 CYS 140 HB3 -0.03 0.03 -0.14 -0.04 2.97 2.80 1fl5B1 LEU 141 H 0.14 0.90 0.30 -0.55 8.37 9.16 1fl5B1 LEU 141 HA 0.14 0.14 0.92 -0.75 4.35 4.80 1fl5B1 LEU 141 HB2 0.15 -0.01 -0.05 -0.04 1.64 1.69 1fl5B1 LEU 141 HB3 0.25 0.01 0.14 -0.04 1.64 2.00 1fl5B1 LEU 141 HG 0.25 -0.05 -0.26 -0.04 1.64 1.54 1fl5B1 LEU 141 HD13 0.12 0.04 -0.15 -0.04 0.93 0.91 1fl5B1 LEU 141 HD23 0.17 -0.01 -0.08 -0.04 0.89 0.93 1fl5B1 VAL 142 H 0.11 0.79 0.30 -0.55 8.24 8.90 1fl5B1 VAL 142 HA -0.02 0.26 0.87 -0.75 4.13 4.48 1fl5B1 VAL 142 HB 0.07 -0.07 0.11 -0.04 2.12 2.19 1fl5B1 VAL 142 HG13 -0.18 0.01 -0.15 -0.04 0.97 0.61 1fl5B1 VAL 142 HG23 -0.03 0.00 -0.24 -0.04 0.95 0.64 1fl5B1 LYS 143 H 0.03 0.61 0.19 -0.55 8.42 8.69 1fl5B1 LYS 143 HA 0.15 0.12 1.10 -0.75 4.32 4.94 1fl5B1 LYS 143 HB2 0.21 -0.02 -0.11 -0.04 1.87 1.90 1fl5B1 LYS 143 HB3 0.19 0.02 -0.00 -0.04 1.79 1.95 1fl5B1 LYS 143 HG2 0.11 -0.00 0.01 -0.04 1.46 1.53 1fl5B1 LYS 143 HG3 0.11 -0.02 0.03 -0.04 1.46 1.53 1fl5B1 LYS 143 HD2 0.21 0.01 -0.07 -0.04 1.69 1.80 1fl5B1 LYS 143 HD3 0.20 0.01 -0.05 -0.04 1.68 1.80 1fl5B1 LYS 143 HE2 0.07 -0.00 -0.05 -0.04 2.99 2.96 1fl5B1 LYS 143 HE3 0.05 0.01 -0.04 -0.04 2.99 2.97 1fl5B1 ASP 144 H 0.06 0.06 0.15 -0.55 8.40 8.13 1fl5B1 ASP 144 HA -0.00 -0.00 0.41 -0.75 4.63 4.27 1fl5B1 ASP 144 HB2 0.07 0.06 0.05 -0.04 2.71 2.84 1fl5B1 ASP 144 HB3 0.04 -0.00 0.12 -0.04 2.70 2.82 1fl5B1 TYR 145 H -0.21 0.37 0.15 -0.55 8.29 8.05 1fl5B1 TYR 145 HA 0.03 0.40 0.66 -0.75 4.56 4.91 1fl5B1 TYR 145 HB2 -0.38 0.11 -0.05 -0.04 3.06 2.70 1fl5B1 TYR 145 HB3 -0.16 -0.02 -0.28 -0.04 2.98 2.47 1fl5B1 TYR 145 HD2 -0.08 0.11 -0.48 -0.04 7.15 6.67 1fl5B1 TYR 145 HE2 -0.04 -0.04 -0.26 -0.04 6.85 6.46 1fl5B1 PHE 146 H 0.37 0.67 0.20 -0.55 8.34 9.02 1fl5B1 PHE 146 HA 0.25 -0.07 0.35 -0.75 4.62 4.39 1fl5B1 PHE 146 HB2 0.05 0.03 -0.08 -0.04 3.15 3.11 1fl5B1 PHE 146 HB3 0.09 0.08 -0.01 -0.04 3.06 3.18 1fl5B1 PHE 146 HD2 0.07 0.10 -0.26 -0.04 7.28 7.15 1fl5B1 PHE 146 HE2 0.07 0.04 -0.17 -0.04 7.38 7.28 1fl5B1 PHE 146 HZ 0.07 -0.03 -0.15 -0.04 7.32 7.17 1fl5B1 PRO 147 HA -0.99 0.05 0.28 -0.51 4.44 3.27 1fl5B1 PRO 147 HB2 -0.48 -0.02 0.06 -0.04 2.28 1.80 1fl5B1 PRO 147 HB3 -1.35 -0.01 -0.01 -0.04 2.02 0.61 1fl5B1 PRO 147 HG2 -0.11 0.30 -0.16 -0.04 2.03 2.01 1fl5B1 PRO 147 HG3 -0.11 -0.03 -0.05 -0.04 2.03 1.80 1fl5B1 PRO 147 HD2 0.06 0.11 0.31 -0.04 3.68 4.12 1fl5B1 PRO 147 HD3 0.13 0.05 -0.08 -0.04 3.65 3.70 1fl5B1 GLU 148 H -0.30 0.06 0.04 -0.55 8.60 7.85 1fl5B1 GLU 148 HA 0.11 0.05 0.37 -0.75 4.29 4.06 1fl5B1 GLU 148 HB2 -0.20 0.02 0.00 -0.04 2.09 1.87 1fl5B1 GLU 148 HB3 -0.14 -0.02 0.09 -0.04 1.99 1.88 1fl5B1 GLU 148 HG2 -0.90 -0.00 -0.08 -0.04 2.34 1.31 1fl5B1 GLU 148 HG3 -0.94 0.00 0.01 -0.04 2.34 1.37 1fl5B1 PRO 149 HA 0.05 -0.01 0.35 -0.51 4.44 4.32 1fl5B1 PRO 149 HB2 -0.00 0.13 0.08 -0.04 2.28 2.45 1fl5B1 PRO 149 HB3 -0.03 -0.01 0.04 -0.04 2.02 1.98 1fl5B1 PRO 149 HG2 -0.01 0.03 -0.15 -0.04 2.03 1.86 1fl5B1 PRO 149 HG3 -0.01 0.02 -0.04 -0.04 2.03 1.97 1fl5B1 PRO 149 HD2 -0.02 0.05 0.34 -0.04 3.68 4.01 1fl5B1 PRO 149 HD3 -0.03 0.09 -0.18 -0.04 3.65 3.49 1fl5B1 VAL 150 H -0.03 0.19 0.17 -0.55 8.24 8.01 1fl5B1 VAL 150 HA -0.07 0.22 0.90 -0.75 4.13 4.43 1fl5B1 VAL 150 HB -0.40 -0.07 -0.04 -0.04 2.12 1.56 1fl5B1 VAL 150 HG13 -0.22 -0.01 -0.27 -0.04 0.97 0.44 1fl5B1 VAL 150 HG23 -1.07 0.01 -0.20 -0.04 0.95 -0.35 1fl5B1 THR 151 H -0.08 0.67 0.36 -0.55 8.28 8.69 1fl5B1 THR 151 HA -0.03 0.14 0.83 -0.75 4.39 4.58 1fl5B1 THR 151 HB -0.04 -0.04 0.10 -0.04 4.32 4.30 1fl5B1 THR 151 HG23 -0.02 0.00 -0.00 -0.04 1.22 1.16 1fl5B1 VAL 152 H -0.02 0.27 0.17 -0.55 8.24 8.10 1fl5B1 VAL 152 HA -0.13 0.33 0.93 -0.75 4.13 4.50 1fl5B1 VAL 152 HB 0.01 -0.02 -0.02 -0.04 2.12 2.05 1fl5B1 VAL 152 HG13 -0.24 -0.01 -0.22 -0.04 0.97 0.45 1fl5B1 VAL 152 HG23 -0.07 -0.02 -0.36 -0.04 0.95 0.46 1fl5B1 SER 153 H -0.21 0.55 0.34 -0.55 8.46 8.59 1fl5B1 SER 153 HA 0.06 0.25 0.84 -0.75 4.49 4.90 1fl5B1 SER 153 HB2 0.03 -0.01 0.11 -0.04 3.95 4.04 1fl5B1 SER 153 HB3 -0.01 0.07 -0.12 -0.04 3.93 3.83 1fl5B1 TRP 154 H 0.26 0.37 0.18 -0.55 7.97 8.23 1fl5B1 TRP 154 HA 0.02 0.24 1.26 -0.75 4.62 5.39 1fl5B1 TRP 154 HB2 0.03 0.20 0.08 -0.04 3.23 3.49 1fl5B1 TRP 154 HB3 0.07 0.02 -0.03 -0.04 3.23 3.24 1fl5B1 TRP 154 HD1 0.00 0.02 -0.23 -0.04 7.22 6.97 1fl5B1 TRP 154 HE1 0.02 -0.02 -0.28 -0.04 10.20 9.88 1fl5B1 TRP 154 HE3 0.13 0.00 -0.25 -0.04 7.59 7.43 1fl5B1 TRP 154 HZ2 0.05 0.14 -0.21 -0.04 7.44 7.38 1fl5B1 TRP 154 HZ3 0.08 0.03 -0.32 -0.04 7.13 6.87 1fl5B1 TRP 154 HH2 0.04 -0.10 -0.25 -0.04 7.19 6.84 1fl5B1 ASN 155 H 0.13 0.57 0.25 -0.55 8.53 8.94 1fl5B1 ASN 155 HA 0.06 0.06 0.34 -0.75 4.76 4.46 1fl5B1 ASN 155 HB2 0.11 0.01 -0.04 -0.04 2.88 2.92 1fl5B1 ASN 155 HB3 0.03 0.04 0.23 -0.04 2.79 3.05 1fl5B1 ASN 155 HD21 -0.23 0.13 0.04 -0.04 7.03 6.92 1fl5B1 ASN 155 HD22 -0.03 -0.02 -0.04 -0.04 7.74 7.61 1fl5B1 SER 156 H 0.01 0.08 -0.20 -0.55 8.46 7.80 1fl5B1 SER 156 HA -0.01 0.03 0.18 -0.75 4.49 3.94 1fl5B1 SER 156 HB2 0.01 0.15 0.02 -0.04 3.95 4.08 1fl5B1 SER 156 HB3 -0.00 0.04 0.11 -0.04 3.93 4.03 1fl5B1 GLY 157 H 0.05 -0.01 -0.42 -0.55 8.43 7.51 1fl5B1 GLY 157 HA2 0.05 -0.02 0.27 -0.51 4.01 3.80 1fl5B1 GLY 157 HA3 0.03 0.10 0.39 -0.51 4.01 4.01 1fl5B1 ALA 158 H 0.04 0.52 -0.78 -0.55 8.40 7.63 1fl5B1 ALA 158 HA 0.02 -0.02 0.36 -0.75 4.34 3.95 1fl5B1 ALA 158 HB3 0.02 -0.04 0.13 -0.04 1.41 1.48 1fl5B1 LEU 159 H 0.10 0.45 -0.14 -0.55 8.37 8.24 1fl5B1 LEU 159 HA 0.03 0.03 0.74 -0.75 4.35 4.40 1fl5B1 LEU 159 HB2 0.09 -0.02 -0.06 -0.04 1.64 1.60 1fl5B1 LEU 159 HB3 0.22 -0.04 -0.07 -0.04 1.64 1.71 1fl5B1 LEU 159 HG -0.04 -0.01 -0.27 -0.04 1.64 1.28 1fl5B1 LEU 159 HD13 -0.01 -0.01 -0.03 -0.04 0.93 0.84 1fl5B1 LEU 159 HD23 0.16 -0.01 -0.12 -0.04 0.89 0.88 1fl5B1 THR 160 H 0.00 -0.00 0.20 -0.55 8.28 7.94 1fl5B1 THR 160 HA 0.02 0.16 0.91 -0.75 4.39 4.73 1fl5B1 THR 160 HB 0.00 0.00 0.05 -0.04 4.32 4.33 1fl5B1 THR 160 HG23 -0.02 -0.02 -0.14 -0.04 1.22 1.00 1fl5B1 SER 161 H -0.03 0.03 0.20 -0.55 8.46 8.12 1fl5B1 SER 161 HA -0.07 0.06 0.54 -0.75 4.49 4.27 1fl5B1 SER 161 HB2 -0.03 -0.00 0.20 -0.04 3.95 4.07 1fl5B1 SER 161 HB3 -0.04 0.04 0.01 -0.04 3.93 3.89 1fl5B1 GLY 162 H -0.14 0.13 0.23 -0.55 8.43 8.11 1fl5B1 GLY 162 HA2 -0.17 0.00 0.34 -0.51 4.01 3.67 1fl5B1 GLY 162 HA3 -0.12 0.05 0.52 -0.51 4.01 3.95 1fl5B1 VAL 163 H -0.23 0.26 -0.12 -0.55 8.24 7.60 1fl5B1 VAL 163 HA -0.27 0.26 0.95 -0.75 4.13 4.31 1fl5B1 VAL 163 HB -0.09 0.11 0.13 -0.04 2.12 2.22 1fl5B1 VAL 163 HG13 0.08 -0.02 -0.21 -0.04 0.97 0.77 1fl5B1 VAL 163 HG23 -0.18 0.01 -0.28 -0.04 0.95 0.45 1fl5B1 HIS 164 H -0.07 0.72 0.30 -0.55 8.41 8.81 1fl5B1 HIS 164 HA -0.18 0.14 0.84 -0.75 4.63 4.67 1fl5B1 HIS 164 HB2 -0.21 -0.03 0.04 -0.04 3.26 3.03 1fl5B1 HIS 164 HB3 -0.66 -0.01 -0.05 -0.04 3.20 2.44 1fl5B1 HIS 164 HD2 -0.13 0.01 0.03 -0.04 6.97 6.84 1fl5B1 HIS 164 HE1 -0.03 -0.05 -0.09 -0.04 7.75 7.54 1fl5B1 THR 165 H -0.10 0.27 0.10 -0.55 8.28 8.00 1fl5B1 THR 165 HA 0.06 0.13 1.04 -0.75 4.39 4.87 1fl5B1 THR 165 HB 0.02 -0.01 0.18 -0.04 4.32 4.47 1fl5B1 THR 165 HG23 0.07 0.02 -0.12 -0.04 1.22 1.15 1fl5B1 PHE 166 H 0.19 0.49 0.25 -0.55 8.34 8.72 1fl5B1 PHE 166 HA 0.07 0.08 0.49 -0.75 4.62 4.50 1fl5B1 PHE 166 HB2 0.07 -0.11 0.16 -0.04 3.15 3.23 1fl5B1 PHE 166 HB3 0.05 0.10 0.13 -0.04 3.06 3.30 1fl5B1 PHE 166 HD2 0.05 0.14 0.01 -0.04 7.28 7.44 1fl5B1 PHE 166 HE2 0.00 -0.02 -0.09 -0.04 7.38 7.24 1fl5B1 PHE 166 HZ -0.04 -0.02 -0.08 -0.04 7.32 7.14 1fl5B1 PRO 167 HA 0.09 0.03 0.52 -0.51 4.44 4.58 1fl5B1 PRO 167 HB2 0.10 0.05 0.02 -0.04 2.28 2.41 1fl5B1 PRO 167 HB3 0.07 0.01 0.13 -0.04 2.02 2.19 1fl5B1 PRO 167 HG2 0.09 0.02 0.09 -0.04 2.03 2.19 1fl5B1 PRO 167 HG3 0.07 0.05 0.10 -0.04 2.03 2.22 1fl5B1 PRO 167 HD2 0.25 0.07 0.21 -0.04 3.68 4.17 1fl5B1 PRO 167 HD3 0.16 0.11 0.23 -0.04 3.65 4.11 1fl5B1 ALA 168 H 0.08 0.04 0.17 -0.55 8.40 8.15 1fl5B1 ALA 168 HA 0.16 0.21 0.58 -0.75 4.34 4.54 1fl5B1 ALA 168 HB3 0.11 -0.03 -0.00 -0.04 1.41 1.45 1fl5B1 VAL 169 H 0.14 0.51 0.37 -0.55 8.24 8.71 1fl5B1 VAL 169 HA 0.14 0.17 0.91 -0.75 4.13 4.60 1fl5B1 VAL 169 HB 0.05 0.04 0.01 -0.04 2.12 2.17 1fl5B1 VAL 169 HG13 0.07 0.03 -0.16 -0.04 0.97 0.87 1fl5B1 VAL 169 HG23 0.05 0.01 -0.06 -0.04 0.95 0.91 1fl5B1 LEU 170 H 0.06 0.16 0.10 -0.55 8.37 8.15 1fl5B1 LEU 170 HA -0.36 0.16 0.60 -0.75 4.35 3.99 1fl5B1 LEU 170 HB2 -0.09 -0.07 0.05 -0.04 1.64 1.49 1fl5B1 LEU 170 HB3 -0.08 -0.01 0.07 -0.04 1.64 1.58 1fl5B1 LEU 170 HG -0.16 -0.06 -0.03 -0.04 1.64 1.35 1fl5B1 LEU 170 HD13 -0.17 -0.02 -0.21 -0.04 0.93 0.49 1fl5B1 LEU 170 HD23 -0.99 0.03 -0.14 -0.04 0.89 -0.25 1fl5B1 GLN 171 H -0.14 0.64 0.16 -0.55 8.47 8.57 1fl5B1 GLN 171 HA -0.03 0.12 0.49 -0.75 4.36 4.19 1fl5B1 GLN 171 HB2 -0.06 -0.05 -0.00 -0.04 2.15 2.00 1fl5B1 GLN 171 HB3 -0.03 -0.13 0.08 -0.04 2.02 1.91 1fl5B1 GLN 171 HG2 -0.01 -0.01 -0.07 -0.04 2.40 2.28 1fl5B1 GLN 171 HG3 -0.03 0.11 -0.13 -0.04 2.39 2.31 1fl5B1 GLN 171 HE21 -0.01 -0.11 -0.12 -0.04 6.97 6.69 1fl5B1 GLN 171 HE22 -0.07 0.24 -0.32 -0.04 7.69 7.50 1fl5B1 SER 172 H -0.03 0.08 0.10 -0.55 8.46 8.07 1fl5B1 SER 172 HA -0.03 0.08 0.35 -0.75 4.49 4.13 1fl5B1 SER 172 HB2 -0.02 0.03 0.03 -0.04 3.95 3.95 1fl5B1 SER 172 HB3 -0.02 0.00 0.13 -0.04 3.93 4.00 1fl5B1 SER 173 H -0.04 -0.11 -0.47 -0.55 8.46 7.29 1fl5B1 SER 173 HA -0.04 0.10 0.49 -0.75 4.49 4.29 1fl5B1 SER 173 HB2 -0.05 0.03 0.15 -0.04 3.95 4.04 1fl5B1 SER 173 HB3 -0.04 0.02 0.08 -0.04 3.93 3.95 1fl5B1 GLY 174 H -0.09 -0.13 0.16 -0.55 8.43 7.82 1fl5B1 GLY 174 HA2 -0.12 0.31 0.85 -0.51 4.01 4.54 1fl5B1 GLY 174 HA3 -0.13 -0.04 0.26 -0.51 4.01 3.60 1fl5B1 LEU 175 H -0.10 -0.18 0.15 -0.55 8.37 7.70 1fl5B1 LEU 175 HA -0.01 0.22 0.58 -0.75 4.35 4.38 1fl5B1 LEU 175 HB2 -0.05 -0.09 0.06 -0.04 1.64 1.53 1fl5B1 LEU 175 HB3 -0.02 0.12 0.07 -0.04 1.64 1.77 1fl5B1 LEU 175 HG -0.05 -0.18 0.09 -0.04 1.64 1.46 1fl5B1 LEU 175 HD13 0.01 0.04 -0.05 -0.04 0.93 0.89 1fl5B1 LEU 175 HD23 -0.06 0.01 -0.18 -0.04 0.89 0.62 1fl5B1 TYR 176 H -0.15 0.66 0.35 -0.55 8.29 8.60 1fl5B1 TYR 176 HA -0.15 0.32 0.92 -0.75 4.56 4.90 1fl5B1 TYR 176 HB2 -1.01 0.07 -0.03 -0.04 3.06 2.05 1fl5B1 TYR 176 HB3 -0.48 -0.04 -0.07 -0.04 2.98 2.35 1fl5B1 TYR 176 HD2 -0.10 0.02 -0.26 -0.04 7.15 6.77 1fl5B1 TYR 176 HE2 -0.06 -0.02 -0.08 -0.04 6.85 6.64 1fl5B1 SER 177 H 0.06 0.47 0.35 -0.55 8.46 8.79 1fl5B1 SER 177 HA 0.19 0.28 0.63 -0.75 4.49 4.84 1fl5B1 SER 177 HB2 0.12 0.08 0.12 -0.04 3.95 4.22 1fl5B1 SER 177 HB3 0.06 -0.21 0.08 -0.04 3.93 3.82 1fl5B1 LEU 178 H 0.24 0.75 0.36 -0.55 8.37 9.16 1fl5B1 LEU 178 HA 0.16 0.13 0.58 -0.75 4.35 4.47 1fl5B1 LEU 178 HB2 0.21 0.16 -0.02 -0.04 1.64 1.94 1fl5B1 LEU 178 HB3 0.21 -0.05 -0.22 -0.04 1.64 1.54 1fl5B1 LEU 178 HG 0.23 -0.06 -0.13 -0.04 1.64 1.64 1fl5B1 LEU 178 HD13 0.11 -0.01 -0.40 -0.04 0.93 0.59 1fl5B1 LEU 178 HD23 0.12 0.06 -0.11 -0.04 0.89 0.92 1fl5B1 SER 179 H 0.25 0.24 0.19 -0.55 8.46 8.60 1fl5B1 SER 179 HA 0.18 0.26 1.14 -0.75 4.49 5.32 1fl5B1 SER 179 HB2 0.14 -0.05 0.04 -0.04 3.95 4.04 1fl5B1 SER 179 HB3 0.21 0.05 -0.06 -0.04 3.93 4.09 1fl5B1 SER 180 H 0.26 0.69 0.38 -0.55 8.46 9.25 1fl5B1 SER 180 HA 0.27 0.22 1.13 -0.75 4.49 5.36 1fl5B1 SER 180 HB2 0.20 -0.01 -0.04 -0.04 3.95 4.05 1fl5B1 SER 180 HB3 0.32 -0.07 0.08 -0.04 3.93 4.22 1fl5B1 VAL 181 H 0.20 0.75 0.41 -0.55 8.24 9.04 1fl5B1 VAL 181 HA 0.10 0.22 1.21 -0.75 4.13 4.91 1fl5B1 VAL 181 HB 0.05 0.02 0.07 -0.04 2.12 2.23 1fl5B1 VAL 181 HG13 0.23 -0.04 -0.33 -0.04 0.97 0.79 1fl5B1 VAL 181 HG23 0.24 0.01 -0.09 -0.04 0.95 1.07 1fl5B1 VAL 182 H -0.31 0.64 0.44 -0.55 8.24 8.46 1fl5B1 VAL 182 HA -0.27 0.38 0.83 -0.75 4.13 4.31 1fl5B1 VAL 182 HB -1.02 -0.03 -0.22 -0.04 2.12 0.81 1fl5B1 VAL 182 HG13 -0.99 -0.01 -0.17 -0.04 0.97 -0.24 1fl5B1 VAL 182 HG23 -0.30 0.06 -0.18 -0.04 0.95 0.49 1fl5B1 THR 183 H -0.16 0.33 0.24 -0.55 8.28 8.13 1fl5B1 THR 183 HA -0.11 0.14 0.80 -0.75 4.39 4.47 1fl5B1 THR 183 HB -0.06 -0.01 0.10 -0.04 4.32 4.31 1fl5B1 THR 183 HG23 -0.04 -0.02 -0.11 -0.04 1.22 1.01 1fl5B1 VAL 184 H -0.09 0.38 0.24 -0.55 8.24 8.23 1fl5B1 VAL 184 HA -0.02 0.10 0.49 -0.75 4.13 3.95 1fl5B1 VAL 184 HB 0.04 -0.01 0.08 -0.04 2.12 2.19 1fl5B1 VAL 184 HG13 -0.27 -0.00 -0.39 -0.04 0.97 0.27 1fl5B1 VAL 184 HG23 -0.22 0.09 -0.23 -0.04 0.95 0.55 1fl5B1 PRO 185 HA -0.01 0.13 0.69 -0.51 4.44 4.74 1fl5B1 PRO 185 HB2 0.02 -0.04 -0.01 -0.04 2.28 2.22 1fl5B1 PRO 185 HB3 0.01 0.06 0.08 -0.04 2.02 2.12 1fl5B1 PRO 185 HG2 0.03 0.08 0.03 -0.04 2.03 2.13 1fl5B1 PRO 185 HG3 0.01 0.05 0.00 -0.04 2.03 2.05 1fl5B1 PRO 185 HD2 0.07 0.11 0.16 -0.04 3.68 3.97 1fl5B1 PRO 185 HD3 0.04 0.17 0.19 -0.04 3.65 4.00 1fl5B1 SER 186 H -0.01 1.11 0.55 -0.55 8.46 9.57 1fl5B1 SER 186 HA -0.02 0.02 0.36 -0.75 4.49 4.10 1fl5B1 SER 186 HB2 -0.00 0.03 0.11 -0.04 3.95 4.04 1fl5B1 SER 186 HB3 -0.00 0.01 -0.05 -0.04 3.93 3.85 1fl5B1 SER 187 H 0.01 0.11 -0.18 -0.55 8.46 7.85 1fl5B1 SER 187 HA 0.01 0.12 0.44 -0.75 4.49 4.31 1fl5B1 SER 187 HB2 0.01 0.00 0.03 -0.04 3.95 3.95 1fl5B1 SER 187 HB3 0.01 0.02 0.16 -0.04 3.93 4.08 1fl5B1 SER 188 H 0.03 0.46 -0.64 -0.55 8.46 7.76 1fl5B1 SER 188 HA 0.05 0.18 1.03 -0.75 4.49 5.00 1fl5B1 SER 188 HB2 0.11 -0.03 0.02 -0.04 3.95 4.02 1fl5B1 SER 188 HB3 0.06 -0.07 -0.11 -0.04 3.93 3.76 1fl5B1 LEU 189 H 0.03 0.24 0.05 -0.55 8.37 8.14 1fl5B1 LEU 189 HA 0.05 0.06 0.29 -0.75 4.35 4.00 1fl5B1 LEU 189 HB2 0.01 -0.04 0.13 -0.04 1.64 1.70 1fl5B1 LEU 189 HB3 0.00 0.04 0.02 -0.04 1.64 1.66 1fl5B1 LEU 189 HG -0.03 0.05 0.13 -0.04 1.64 1.75 1fl5B1 LEU 189 HD13 -0.02 -0.01 0.03 -0.04 0.93 0.89 1fl5B1 LEU 189 HD23 -0.13 -0.00 -0.09 -0.04 0.89 0.63 1fl5B1 GLY 190 H 0.05 0.01 -0.24 -0.55 8.43 7.70 1fl5B1 GLY 190 HA2 0.06 0.13 0.46 -0.51 4.01 4.15 1fl5B1 GLY 190 HA3 0.04 -0.05 0.26 -0.51 4.01 3.75 1fl5B1 THR 191 H 0.05 0.03 -0.06 -0.55 8.28 7.75 1fl5B1 THR 191 HA 0.03 0.00 0.35 -0.75 4.39 4.02 1fl5B1 THR 191 HB 0.02 -0.04 0.06 -0.04 4.32 4.33 1fl5B1 THR 191 HG23 0.03 -0.02 0.07 -0.04 1.22 1.25 1fl5B1 GLN 192 H 0.09 0.38 -0.30 -0.55 8.47 8.09 1fl5B1 GLN 192 HA -0.01 0.10 0.84 -0.75 4.36 4.53 1fl5B1 GLN 192 HB2 0.00 -0.08 -0.03 -0.04 2.15 2.00 1fl5B1 GLN 192 HB3 0.04 0.07 -0.11 -0.04 2.02 1.97 1fl5B1 GLN 192 HG2 -0.40 0.13 -0.06 -0.04 2.40 2.04 1fl5B1 GLN 192 HG3 -0.12 -0.05 0.09 -0.04 2.39 2.27 1fl5B1 GLN 192 HE21 -0.04 -0.05 -0.04 -0.04 6.97 6.80 1fl5B1 GLN 192 HE22 -0.10 0.04 -0.10 -0.04 7.69 7.50 1fl5B1 THR 193 H -0.09 0.10 0.15 -0.55 8.28 7.89 1fl5B1 THR 193 HA 0.11 0.26 0.86 -0.75 4.39 4.87 1fl5B1 THR 193 HB -0.02 -0.06 0.08 -0.04 4.32 4.28 1fl5B1 THR 193 HG23 0.05 -0.02 -0.17 -0.04 1.22 1.04 1fl5B1 TYR 194 H 0.29 0.29 0.16 -0.55 8.29 8.48 1fl5B1 TYR 194 HA 0.15 0.12 0.88 -0.75 4.56 4.95 1fl5B1 TYR 194 HB2 0.17 0.05 0.09 -0.04 3.06 3.34 1fl5B1 TYR 194 HB3 0.32 -0.02 -0.08 -0.04 2.98 3.16 1fl5B1 TYR 194 HD2 0.04 0.04 -0.19 -0.04 7.15 7.01 1fl5B1 TYR 194 HE2 -0.02 0.06 -0.20 -0.04 6.85 6.65 1fl5B1 ILE 195 H 0.23 0.15 0.15 -0.55 8.25 8.24 1fl5B1 ILE 195 HA 0.07 0.43 0.98 -0.75 4.18 4.90 1fl5B1 ILE 195 HB 0.03 -0.16 0.02 -0.04 1.89 1.73 1fl5B1 ILE 195 HG12 0.04 0.07 -0.26 -0.04 1.49 1.30 1fl5B1 ILE 195 HG13 0.07 -0.14 -0.61 -0.04 1.21 0.49 1fl5B1 ILE 195 HG23 -0.04 0.02 -0.33 -0.04 0.93 0.54 1fl5B1 ILE 195 HD13 0.01 0.01 -0.13 -0.04 0.88 0.73 1fl5B1 CYS 196 H -0.23 0.66 0.27 -0.55 8.50 8.66 1fl5B1 CYS 196 HA -1.01 0.20 1.09 -0.75 4.58 4.10 1fl5B1 CYS 196 HB2 -1.57 0.03 -0.04 -0.04 2.97 1.35 1fl5B1 CYS 196 HB3 -2.28 0.01 -0.11 -0.04 2.97 0.56 1fl5B1 ASN 197 H -0.40 0.89 0.34 -0.55 8.53 8.81 1fl5B1 ASN 197 HA -0.16 0.22 0.86 -0.75 4.76 4.93 1fl5B1 ASN 197 HB2 -0.12 -0.09 0.13 -0.04 2.88 2.76 1fl5B1 ASN 197 HB3 -0.09 0.08 -0.04 -0.04 2.79 2.69 1fl5B1 ASN 197 HD21 -0.05 -0.06 -0.16 -0.04 7.03 6.72 1fl5B1 ASN 197 HD22 -0.08 0.12 -0.18 -0.04 7.74 7.56 1fl5B1 VAL 198 H -0.15 0.90 0.39 -0.55 8.24 8.83 1fl5B1 VAL 198 HA -0.15 0.23 1.00 -0.75 4.13 4.46 1fl5B1 VAL 198 HB -0.13 -0.06 0.16 -0.04 2.12 2.05 1fl5B1 VAL 198 HG13 -0.15 0.01 -0.19 -0.04 0.97 0.59 1fl5B1 VAL 198 HG23 -0.18 0.01 -0.16 -0.04 0.95 0.57 1fl5B1 ASN 199 H -0.09 0.66 0.28 -0.55 8.53 8.84 1fl5B1 ASN 199 HA -0.04 0.26 1.04 -0.75 4.76 5.26 1fl5B1 ASN 199 HB2 -0.05 -0.02 -0.13 -0.04 2.88 2.65 1fl5B1 ASN 199 HB3 -0.04 -0.05 0.08 -0.04 2.79 2.74 1fl5B1 ASN 199 HD21 -0.03 0.00 -0.08 -0.04 7.03 6.88 1fl5B1 ASN 199 HD22 -0.03 -0.02 -0.07 -0.04 7.74 7.58 1fl5B1 HIS 200 H 0.02 0.76 0.12 -0.55 8.41 8.77 1fl5B1 HIS 200 HA -0.11 0.21 0.95 -0.75 4.63 4.92 1fl5B1 HIS 200 HB2 -0.19 -0.01 -0.09 -0.04 3.26 2.92 1fl5B1 HIS 200 HB3 -0.09 -0.04 0.14 -0.04 3.20 3.17 1fl5B1 HIS 200 HD2 -0.12 0.40 -0.04 -0.04 6.97 7.16 1fl5B1 HIS 200 HE1 0.12 0.19 -0.23 -0.04 7.75 7.79 1fl5B1 LYS 201 H -0.08 0.19 -0.02 -0.55 8.42 7.96 1fl5B1 LYS 201 HA -0.10 0.01 0.40 -0.75 4.32 3.88 1fl5B1 LYS 201 HB2 -0.09 0.09 0.11 -0.04 1.87 1.94 1fl5B1 LYS 201 HB3 -0.07 0.01 0.00 -0.04 1.79 1.69 1fl5B1 LYS 201 HG2 -0.04 -0.01 0.01 -0.04 1.46 1.38 1fl5B1 LYS 201 HG3 -0.05 -0.03 -0.00 -0.04 1.46 1.34 1fl5B1 LYS 201 HD2 -0.03 0.03 -0.01 -0.04 1.69 1.64 1fl5B1 LYS 201 HD3 -0.03 0.01 -0.00 -0.04 1.68 1.62 1fl5B1 LYS 201 HE2 -0.02 -0.01 -0.03 -0.04 2.99 2.88 1fl5B1 LYS 201 HE3 -0.02 0.01 -0.01 -0.04 2.99 2.93 1fl5B1 PRO 202 HA -0.14 0.03 0.37 -0.51 4.44 4.18 1fl5B1 PRO 202 HB2 -0.46 0.10 -0.14 -0.04 2.28 1.74 1fl5B1 PRO 202 HB3 -0.11 -0.02 0.07 -0.04 2.02 1.92 1fl5B1 PRO 202 HG2 -0.10 0.24 -0.25 -0.04 2.03 1.88 1fl5B1 PRO 202 HG3 -0.12 -0.03 0.01 -0.04 2.03 1.86 1fl5B1 PRO 202 HD2 -0.60 0.10 -0.21 -0.04 3.68 2.93 1fl5B1 PRO 202 HD3 -0.17 0.00 0.09 -0.04 3.65 3.54 1fl5B1 SER 203 H -0.38 0.32 -0.69 -0.55 8.46 7.16 1fl5B1 SER 203 HA -0.03 0.16 0.73 -0.75 4.49 4.60 1fl5B1 SER 203 HB2 0.10 -0.03 -0.02 -0.04 3.95 3.96 1fl5B1 SER 203 HB3 0.13 0.06 -0.36 -0.04 3.93 3.72 1fl5B1 ASN 204 H -0.10 0.69 0.13 -0.55 8.53 8.71 1fl5B1 ASN 204 HA -0.04 -0.01 0.33 -0.75 4.76 4.28 1fl5B1 ASN 204 HB2 -0.01 0.09 -0.19 -0.04 2.88 2.73 1fl5B1 ASN 204 HB3 -0.02 -0.06 0.19 -0.04 2.79 2.87 1fl5B1 ASN 204 HD21 -0.02 -0.01 0.01 -0.04 7.03 6.96 1fl5B1 ASN 204 HD22 -0.02 -0.04 0.04 -0.04 7.74 7.68 1fl5B1 THR 205 H 0.01 0.22 -0.47 -0.55 8.28 7.49 1fl5B1 THR 205 HA 0.00 0.14 0.72 -0.75 4.39 4.49 1fl5B1 THR 205 HB 0.08 -0.08 0.06 -0.04 4.32 4.34 1fl5B1 THR 205 HG23 -0.01 0.00 -0.07 -0.04 1.22 1.11 1fl5B1 LYS 206 H -0.02 0.23 0.07 -0.55 8.42 8.15 1fl5B1 LYS 206 HA -0.04 0.25 0.85 -0.75 4.32 4.62 1fl5B1 LYS 206 HB2 -0.03 0.02 -0.18 -0.04 1.87 1.64 1fl5B1 LYS 206 HB3 -0.03 -0.01 0.13 -0.04 1.79 1.84 1fl5B1 LYS 206 HG2 -0.04 -0.04 -0.20 -0.04 1.46 1.14 1fl5B1 LYS 206 HG3 -0.04 0.02 -0.09 -0.04 1.46 1.31 1fl5B1 LYS 206 HD2 -0.02 -0.00 -0.05 -0.04 1.69 1.57 1fl5B1 LYS 206 HD3 -0.03 -0.04 -0.09 -0.04 1.68 1.48 1fl5B1 LYS 206 HE2 -0.03 -0.02 -0.08 -0.04 2.99 2.82 1fl5B1 LYS 206 HE3 -0.03 0.04 -0.11 -0.04 2.99 2.85 1fl5B1 VAL 207 H -0.07 0.64 0.26 -0.55 8.24 8.53 1fl5B1 VAL 207 HA -0.05 0.19 1.06 -0.75 4.13 4.57 1fl5B1 VAL 207 HB -0.09 -0.02 0.09 -0.04 2.12 2.05 1fl5B1 VAL 207 HG13 -0.07 -0.00 -0.10 -0.04 0.97 0.75 1fl5B1 VAL 207 HG23 -0.06 0.02 -0.09 -0.04 0.95 0.78 1fl5B1 ASP 208 H -0.05 0.24 0.16 -0.55 8.40 8.20 1fl5B1 ASP 208 HA -0.11 0.23 0.99 -0.75 4.63 4.99 1fl5B1 ASP 208 HB2 -0.04 0.01 0.15 -0.04 2.71 2.79 1fl5B1 ASP 208 HB3 -0.05 -0.02 -0.07 -0.04 2.70 2.52 1fl5B1 LYS 209 H -0.14 0.63 0.25 -0.55 8.42 8.61 1fl5B1 LYS 209 HA -0.03 0.17 0.97 -0.75 4.32 4.67 1fl5B1 LYS 209 HB2 -0.09 -0.02 -0.04 -0.04 1.87 1.68 1fl5B1 LYS 209 HB3 -0.09 -0.07 0.01 -0.04 1.79 1.60 1fl5B1 LYS 209 HG2 -0.01 -0.03 -0.23 -0.04 1.46 1.15 1fl5B1 LYS 209 HG3 0.02 0.17 -0.12 -0.04 1.46 1.49 1fl5B1 LYS 209 HD2 -0.02 -0.03 0.09 -0.04 1.69 1.68 1fl5B1 LYS 209 HD3 -0.06 0.02 0.00 -0.04 1.68 1.60 1fl5B1 LYS 209 HE2 0.05 0.05 0.12 -0.04 2.99 3.16 1fl5B1 LYS 209 HE3 0.04 0.01 0.11 -0.04 2.99 3.11 1fl5B1 LYS 210 H 0.01 0.18 0.22 -0.55 8.42 8.28 1fl5B1 LYS 210 HA 0.07 0.21 0.80 -0.75 4.32 4.66 1fl5B1 LYS 210 HB2 0.04 -0.02 0.13 -0.04 1.87 1.98 1fl5B1 LYS 210 HB3 0.06 0.05 0.00 -0.04 1.79 1.86 1fl5B1 LYS 210 HG2 0.03 -0.01 -0.11 -0.04 1.46 1.33 1fl5B1 LYS 210 HG3 0.02 0.01 -0.01 -0.04 1.46 1.43 1fl5B1 LYS 210 HD2 0.02 -0.01 -0.03 -0.04 1.69 1.63 1fl5B1 LYS 210 HD3 0.03 0.00 0.00 -0.04 1.68 1.67 1fl5B1 LYS 210 HE2 0.04 -0.03 -0.07 -0.04 2.99 2.89 1fl5B1 LYS 210 HE3 0.03 -0.00 -0.04 -0.04 2.99 2.94 1fl5B1 VAL 211 H 0.16 0.46 0.22 -0.55 8.24 8.53 1fl5B1 VAL 211 HA 0.10 0.14 0.92 -0.75 4.13 4.54 1fl5B1 VAL 211 HB 0.21 -0.01 0.16 -0.04 2.12 2.44 1fl5B1 VAL 211 HG13 0.11 -0.01 -0.16 -0.04 0.97 0.87 1fl5B1 VAL 211 HG23 0.23 0.00 -0.14 -0.04 0.95 1.00 1fl5B1 GLU 212 H 0.07 0.17 0.07 -0.55 8.60 8.36 1fl5B1 GLU 212 HA 0.07 0.15 0.60 -0.75 4.29 4.35 1fl5B1 GLU 212 HB2 0.05 0.03 0.01 -0.04 2.09 2.13 1fl5B1 GLU 212 HB3 0.05 0.02 0.05 -0.04 1.99 2.07 1fl5B1 GLU 212 HG2 0.06 0.01 0.00 -0.04 2.34 2.36 1fl5B1 GLU 212 HG3 0.04 -0.02 0.01 -0.04 2.34 2.34 1fl5B1 PRO 213 HA 0.03 0.13 0.25 -0.51 4.44 4.34 1fl5B1 PRO 213 HB2 0.02 -0.03 0.03 -0.04 2.28 2.27 1fl5B1 PRO 213 HB3 0.02 0.08 0.01 -0.04 2.02 2.09 1fl5B1 PRO 213 HG2 0.03 -0.01 -0.07 -0.04 2.03 1.94 1fl5B1 PRO 213 HG3 0.03 0.08 -0.04 -0.04 2.03 2.06 1fl5B1 PRO 213 HD2 0.04 0.05 0.13 -0.04 3.68 3.87 1fl5B1 PRO 213 HD3 0.06 0.26 0.24 -0.04 3.65 4.17