#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bb9 n THR 13 N 0.00 0.00 -3.69 12.58 -2.24 -1.26 -5.12 114.28 114.55 1bb9 n THR 13 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 1bb9 n THR 13 Cb 0.00 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.07 1bb9 n THR 13 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1bb9 s GLY 14 N 0.00 0.70 0.33 3.38 0.00 -1.26 -5.00 107.32 105.47 1bb9 s GLY 14 Ca 0.00 -0.89 -0.26 0.00 0.00 0.00 0.00 44.72 43.57 1bb9 s GLY 14 CO 0.00 1.59 0.95 -1.60 0.00 0.00 0.00 173.10 174.03 1bb9 s ARG 15 N 1.88 4.56 -0.05 2.90 3.52 -1.26 -4.98 118.95 125.52 1bb9 s ARG 15 Ca 0.03 1.33 -0.22 0.00 -0.13 0.00 0.00 55.73 56.73 1bb9 s ARG 15 Cb -0.17 -2.76 -0.29 0.00 -1.56 0.00 0.00 34.95 30.17 1bb9 s ARG 15 CO -0.15 0.25 0.93 -0.07 -0.81 0.00 0.00 175.30 175.45 1bb9 h LEU 16 N 3.10 0.42-10.26 -0.88 3.38 -2.00 -3.46 115.31 105.60 1bb9 h LEU 16 Ca -0.47 -0.91 -0.51 0.00 0.09 0.00 0.00 57.88 56.08 1bb9 h LEU 16 Cb 1.19 -0.13 0.10 0.00 0.09 0.00 0.00 40.66 41.90 1bb9 h LEU 16 CO 0.65 1.29 0.36 1.51 0.09 0.00 0.00 178.44 182.34 1bb9 s ASP 17 N -6.81 5.23 0.24 -0.43 -4.77 -1.26 -5.06 116.67 103.81 1bb9 s ASP 17 Ca -0.14 1.81 0.12 0.00 -3.30 0.00 0.00 52.55 51.04 1bb9 s ASP 17 Cb 0.01 -2.53 -0.05 0.00 -1.09 0.00 0.00 42.92 39.27 1bb9 s ASP 17 CO 0.81 -1.54 -0.22 -0.76 0.70 0.00 0.00 175.17 174.16 1bb9 s LEU 18 N -5.16 2.52 0.51 2.11 1.43 -1.26 -5.08 118.68 113.74 1bb9 s LEU 18 Ca 0.62 -0.95 -0.23 0.00 -1.03 0.00 0.00 54.13 52.54 1bb9 s LEU 18 Cb -0.17 -1.11 -0.06 0.00 0.03 0.00 0.00 46.19 44.88 1bb9 s LEU 18 CO 0.47 0.07 1.31 -2.84 0.23 0.00 0.00 176.35 175.59 1bb9 s PRO 19 N -3.13 3.40 0.08 1.29 0.02 -1.26 -4.88 135.00 130.52 1bb9 s PRO 19 Ca 0.25 2.13 -0.34 0.00 0.02 0.00 0.00 61.00 63.07 1bb9 s PRO 19 Cb -0.06 -2.37 -0.13 0.00 0.02 0.00 0.00 34.50 31.97 1bb9 s PRO 19 CO 0.12 -0.95 1.71 -2.30 -0.33 0.00 0.00 177.00 175.26 1bb9 n PRO 20 N -0.74 2.25 -0.27 5.54 -0.02 -1.26 -0.39 135.00 140.12 1bb9 n PRO 20 Ca 0.09 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 1bb9 n PRO 20 Cb 0.45 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1bb9 n PRO 20 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bb9 n GLY 21 N 3.84 0.94 2.01 -1.23 0.00 -1.26 -4.74 105.19 104.75 1bb9 n GLY 21 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1bb9 n GLY 21 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1bb9 n PHE 22 N -2.00 0.26 -0.04 1.61 7.35 0.48 -4.44 117.46 120.67 1bb9 n PHE 22 Ca 0.00 0.60 -0.10 0.00 -0.76 0.00 0.00 57.45 57.20 1bb9 n PHE 22 Cb 0.00 -1.19 -0.03 0.00 0.35 0.00 0.00 39.48 38.60 1bb9 n PHE 22 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67 1bb9 n MET 23 N 0.82 0.24 -3.76 -4.13 2.81 0.04 -4.99 117.12 108.15 1bb9 n MET 23 Ca 0.11 0.10 -0.02 0.00 -1.81 0.00 0.00 57.70 56.09 1bb9 n MET 23 Cb 0.06 -0.91 -0.00 0.00 -0.71 0.00 0.00 33.22 31.66 1bb9 n MET 23 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 1bb9 s PHE 24 N -2.27 -0.05 -0.11 2.03 -0.12 -1.25 -5.02 117.98 111.19 1bb9 s PHE 24 Ca -0.15 -0.21 -0.03 0.00 -0.05 0.00 0.00 56.93 56.50 1bb9 s PHE 24 Cb 0.05 0.62 -0.03 0.00 -0.63 0.00 0.00 43.02 43.03 1bb9 s PHE 24 CO 0.20 -0.67 0.00 0.15 -0.05 0.00 0.00 175.22 174.85 1bb9 s LYS 25 N -2.75 3.25 0.22 1.99 1.02 -1.26 -0.42 119.74 121.79 1bb9 s LYS 25 Ca 0.16 -0.42 0.09 0.00 0.02 0.00 0.00 55.97 55.81 1bb9 s LYS 25 Cb 0.00 -2.87 -0.05 0.00 -0.52 0.00 0.00 37.83 34.40 1bb9 s LYS 25 CO 0.01 0.55 -0.16 0.14 -0.92 0.00 0.00 175.35 174.98 1bb9 s VAL 26 N -0.47 1.91 -0.06 3.17 -7.23 -0.35 -0.68 120.40 116.69 1bb9 s VAL 26 Ca 0.08 -2.25 0.05 0.00 -1.81 0.00 0.00 61.98 58.05 1bb9 s VAL 26 Cb -0.12 -2.10 -0.00 0.00 0.56 0.00 0.00 36.38 34.72 1bb9 s VAL 26 CO 0.02 -0.54 -0.21 -1.58 -0.31 0.00 0.00 175.10 172.48 1bb9 s GLN 27 N -3.58 2.33 0.17 4.82 0.74 -0.20 0.18 119.66 124.12 1bb9 s GLN 27 Ca 0.24 -0.77 -0.30 0.00 0.05 0.00 0.00 55.36 54.58 1bb9 s GLN 27 Cb -0.02 -1.93 -0.08 0.00 1.10 0.00 0.00 33.01 32.08 1bb9 s GLN 27 CO 0.09 0.27 1.26 0.00 -0.55 0.00 0.00 175.29 176.36 1bb9 s ALA 28 N 0.07 3.48 -0.11 1.58 0.00 0.10 -1.92 121.76 124.96 1bb9 s ALA 28 Ca -0.08 1.02 0.19 0.00 0.00 0.00 0.00 51.96 53.10 1bb9 s ALA 28 Cb -0.14 -3.46 -0.29 0.00 0.00 0.00 0.00 23.12 19.23 1bb9 s ALA 28 CO 0.04 -0.47 0.46 1.04 0.00 0.00 0.00 175.76 176.84 1bb9 n GLN 29 N 2.83 0.61 -4.13 0.00 1.13 -0.04 -0.46 117.38 117.32 1bb9 n GLN 29 Ca 0.06 -0.16 -0.11 0.00 -1.94 0.00 0.00 57.00 54.85 1bb9 n GLN 29 Cb 0.44 -1.45 -0.11 0.00 0.11 0.00 0.00 30.24 29.23 1bb9 n GLN 29 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1bb9 s HIS 30 N -3.29 0.79 0.60 1.08 3.76 -1.16 -4.84 115.29 112.22 1bb9 s HIS 30 Ca -0.06 -0.77 -0.19 0.00 -0.15 0.00 0.00 55.06 53.90 1bb9 s HIS 30 Cb 0.13 -0.47 -0.03 0.00 1.11 0.00 0.00 32.58 33.32 1bb9 s HIS 30 CO 0.80 -0.14 1.21 -0.51 -0.85 0.00 0.00 174.74 175.25 1bb9 s ASP 31 N -2.50 5.15 -0.06 1.40 1.11 -1.26 -4.12 116.67 116.39 1bb9 s ASP 31 Ca 0.04 2.39 -0.02 0.00 0.18 0.00 0.00 52.55 55.14 1bb9 s ASP 31 Cb -0.00 -2.60 0.04 0.00 1.07 0.00 0.00 42.92 41.43 1bb9 s ASP 31 CO -0.03 -1.62 0.09 -0.47 1.18 0.00 0.00 175.17 174.31 1bb9 s TYR 32 N -1.60 0.01 -0.28 4.23 5.04 -0.55 -4.97 117.35 119.23 1bb9 s TYR 32 Ca 0.78 0.31 -0.15 0.00 -2.44 0.00 0.00 57.07 55.57 1bb9 s TYR 32 Cb -0.31 -0.44 -0.03 0.00 0.35 0.00 0.00 41.96 41.53 1bb9 s TYR 32 CO 0.34 -0.23 0.39 0.99 -1.34 0.00 0.00 175.55 175.70 1bb9 s THR 33 N 2.20 5.16 0.28 4.34 2.01 -1.26 -0.84 115.64 127.53 1bb9 s THR 33 Ca 0.04 0.56 -0.30 0.00 0.31 0.00 0.00 61.69 62.31 1bb9 s THR 33 Cb -0.12 -3.73 -0.13 0.00 0.01 0.00 0.00 72.50 68.53 1bb9 s THR 33 CO -0.04 0.12 1.29 0.00 -0.69 0.00 0.00 174.62 175.30 1bb9 n ALA 34 N 5.37 0.92 0.02 7.40 0.00 -1.26 -4.90 120.51 128.06 1bb9 n ALA 34 Ca -0.08 0.39 0.05 0.00 0.00 0.00 0.00 53.44 53.80 1bb9 n ALA 34 Cb 0.50 -2.22 0.11 0.00 0.00 0.00 0.00 19.45 17.84 1bb9 n ALA 34 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bb9 n THR 35 N 1.01 0.70 -3.57 0.00 -2.24 -1.26 -5.02 114.28 103.90 1bb9 n THR 35 Ca 0.09 -0.85 -0.08 0.00 -2.27 0.00 0.00 64.05 60.94 1bb9 n THR 35 Cb 0.33 0.71 -0.02 0.00 -2.10 0.00 0.00 70.33 69.26 1bb9 n THR 35 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1bb9 s ASP 36 N -0.95 -0.35 0.31 3.42 2.15 -1.26 -5.07 116.67 114.93 1bb9 s ASP 36 Ca 0.18 -0.14 0.16 0.00 0.43 0.00 0.00 52.55 53.19 1bb9 s ASP 36 Cb 0.10 0.46 0.29 0.00 -0.30 0.00 0.00 42.92 43.47 1bb9 s ASP 36 CO 0.13 -0.79 1.55 0.71 -0.17 0.00 0.00 175.17 176.60 1bb9 h THR 37 N 2.00 0.89 -0.04 1.71 1.35 -2.03 -2.98 112.91 113.82 1bb9 h THR 37 Ca -0.24 -2.01 0.00 0.00 -0.55 0.00 0.00 66.41 63.61 1bb9 h THR 37 Cb 1.25 2.26 0.00 0.00 -1.73 0.00 0.00 68.15 69.93 1bb9 h THR 37 CO 0.30 0.46 0.00 -0.90 -0.25 0.00 0.00 175.52 175.14 1bb9 n ASP 38 N -3.33 0.40 -4.77 5.36 5.75 -1.26 -4.87 116.55 113.83 1bb9 n ASP 38 Ca 0.01 -1.44 -0.31 0.00 -0.01 0.00 0.00 54.79 53.04 1bb9 n ASP 38 Cb 0.66 -0.02 -0.07 0.00 -1.03 0.00 0.00 41.12 40.66 1bb9 n ASP 38 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1bb9 s GLU 39 N -1.96 2.87 0.02 0.11 2.02 -1.13 -1.09 118.70 119.55 1bb9 s GLU 39 Ca 0.31 -0.68 -0.19 0.00 0.02 0.00 0.00 54.97 54.43 1bb9 s GLU 39 Cb 0.15 -2.72 -0.06 0.00 0.10 0.00 0.00 34.13 31.60 1bb9 s GLU 39 CO 0.24 0.57 0.55 -1.17 0.02 0.00 0.00 175.26 175.47 1bb9 s LEU 40 N -2.33 4.46 -0.15 1.80 2.96 0.16 -4.71 118.68 120.88 1bb9 s LEU 40 Ca 0.28 1.15 -0.17 0.00 -0.22 0.00 0.00 54.13 55.18 1bb9 s LEU 40 Cb -0.12 -2.84 -0.04 0.00 0.50 0.00 0.00 46.19 43.68 1bb9 s LEU 40 CO 0.21 0.20 0.42 -1.58 -1.32 0.00 0.00 176.35 174.28 1bb9 s GLN 41 N -0.65 4.28 0.26 1.98 2.00 -1.26 -4.44 119.66 121.83 1bb9 s GLN 41 Ca 0.29 0.31 0.10 0.00 -2.00 0.00 0.00 55.36 54.06 1bb9 s GLN 41 Cb -0.18 -3.46 -0.05 0.00 0.80 0.00 0.00 33.01 30.12 1bb9 s GLN 41 CO 0.17 0.13 -0.17 -0.51 -0.50 0.00 0.00 175.29 174.41 1bb9 s LEU 42 N 0.75 2.58 0.07 3.68 1.43 -0.02 -4.98 118.68 122.19 1bb9 s LEU 42 Ca 0.22 -1.04 0.07 0.00 -1.03 0.00 0.00 54.13 52.34 1bb9 s LEU 42 Cb -0.14 -0.95 -0.03 0.00 0.03 0.00 0.00 46.19 45.10 1bb9 s LEU 42 CO 0.08 -0.05 -0.18 -0.54 0.23 0.00 0.00 176.35 175.89 1bb9 s LYS 43 N -3.57 1.09 0.19 1.70 1.02 -1.26 -1.49 119.74 117.42 1bb9 s LYS 43 Ca 0.28 -0.96 -0.33 0.00 0.02 0.00 0.00 55.97 54.98 1bb9 s LYS 43 Cb -0.03 -1.20 -0.14 0.00 -0.52 0.00 0.00 37.83 35.94 1bb9 s LYS 43 CO 0.12 0.29 1.48 0.00 -0.92 0.00 0.00 175.35 176.32 1bb9 n ALA 44 N 1.53 1.02 0.00 5.17 0.00 -1.26 -0.52 120.51 126.45 1bb9 n ALA 44 Ca -0.19 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1bb9 n ALA 44 Cb 0.54 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1bb9 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bb9 n GLY 45 N 2.79 2.73 3.77 0.00 0.00 0.39 -4.97 105.19 109.89 1bb9 n GLY 45 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1bb9 n GLY 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bb9 s ASP 46 N -0.41 6.55 -0.12 1.61 1.01 0.32 -4.65 116.67 120.98 1bb9 s ASP 46 Ca 0.00 2.85 -0.11 0.00 0.71 0.00 0.00 52.55 56.00 1bb9 s ASP 46 Cb 0.00 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 41.23 1bb9 s ASP 46 CO 0.00 -0.73 0.25 -0.69 0.21 0.00 0.00 175.17 174.21 1bb9 s VAL 47 N -0.87 5.32 0.03 -1.27 1.01 -1.26 -0.72 120.40 122.63 1bb9 s VAL 47 Ca 0.53 0.46 0.08 0.00 0.00 0.00 0.00 61.98 63.05 1bb9 s VAL 47 Cb -0.43 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1bb9 s VAL 47 CO 0.55 0.50 -0.24 -0.69 0.00 0.00 0.00 175.10 175.23 1bb9 s VAL 48 N -0.31 1.90 -0.30 2.92 1.01 0.13 -1.48 120.40 124.26 1bb9 s VAL 48 Ca 0.16 -1.23 -0.09 0.00 0.00 0.00 0.00 61.98 60.83 1bb9 s VAL 48 Cb -0.13 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 1bb9 s VAL 48 CO 0.05 0.35 0.13 -0.76 0.00 0.00 0.00 175.10 174.87 1bb9 s LEU 49 N -1.05 4.00 0.03 3.92 1.43 -0.00 -1.21 118.68 125.80 1bb9 s LEU 49 Ca 0.10 -0.54 -0.23 0.00 -1.03 0.00 0.00 54.13 52.43 1bb9 s LEU 49 Cb -0.09 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 1bb9 s LEU 49 CO 0.01 -0.18 0.70 -0.69 0.23 0.00 0.00 176.35 176.42 1bb9 s VAL 50 N 1.59 4.79 0.21 -1.59 1.01 0.44 -1.20 120.40 125.66 1bb9 s VAL 50 Ca 0.04 1.47 0.01 0.00 0.00 0.00 0.00 61.98 63.51 1bb9 s VAL 50 Cb -0.17 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 1bb9 s VAL 50 CO 0.05 0.39 0.07 0.27 0.00 0.00 0.00 175.10 175.88 1bb9 s ILE 51 N -0.14 0.49 0.72 2.22 -4.36 -0.66 -0.78 121.20 118.69 1bb9 s ILE 51 Ca 0.35 -1.99 -0.11 0.00 -0.26 0.00 0.00 60.65 58.65 1bb9 s ILE 51 Cb -0.20 -2.40 0.02 0.00 1.25 0.00 0.00 42.46 41.13 1bb9 s ILE 51 CO 0.21 -0.19 1.07 -2.84 0.24 0.00 0.00 174.94 173.42 1bb9 s PRO 52 N -4.01 2.72 0.20 0.37 0.02 -1.26 -4.23 135.00 128.81 1bb9 s PRO 52 Ca 0.32 1.03 -0.30 0.00 0.02 0.00 0.00 61.00 62.07 1bb9 s PRO 52 Cb 0.07 -1.96 -0.08 0.00 0.02 0.00 0.00 34.50 32.55 1bb9 s PRO 52 CO 0.09 -1.27 1.06 -0.06 -0.33 0.00 0.00 177.00 176.49 1bb9 s PHE 53 N -2.99 3.68 -1.58 6.54 0.40 -1.26 -4.92 117.98 117.85 1bb9 s PHE 53 Ca 0.59 1.70 0.26 0.00 -0.60 0.00 0.00 56.93 58.88 1bb9 s PHE 53 Cb -0.15 -3.20 0.69 0.00 0.51 0.00 0.00 43.02 40.87 1bb9 s PHE 53 CO 0.55 -0.31 1.53 1.04 0.70 0.00 0.00 175.22 178.72 1bb9 n GLN 54 N 2.05 0.65 -3.64 0.44 6.02 -1.26 -4.64 117.38 117.00 1bb9 n GLN 54 Ca 0.01 -0.38 -0.16 0.00 -0.01 0.00 0.00 57.00 56.46 1bb9 n GLN 54 Cb 0.46 -1.49 -0.14 0.00 1.02 0.00 0.00 30.24 30.09 1bb9 n GLN 54 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1bb9 s ASN 55 N -2.61 0.69 0.26 1.08 2.47 -1.26 -5.04 114.94 110.52 1bb9 s ASN 55 Ca 0.21 0.36 0.23 0.00 0.42 0.00 0.00 52.86 54.08 1bb9 s ASN 55 Cb 0.19 0.45 0.98 0.00 -1.45 0.00 0.00 41.25 41.42 1bb9 s ASN 55 CO 0.56 -0.25 1.70 -2.65 -3.72 0.00 0.00 177.10 172.74 1bb9 n PRO 56 N 5.33 0.19 0.08 0.43 -0.02 -1.26 -2.28 135.00 137.47 1bb9 n PRO 56 Ca -0.05 0.44 0.13 0.00 -2.02 0.00 0.00 63.50 61.99 1bb9 n PRO 56 Cb 0.50 -1.87 0.44 0.00 -0.02 0.00 0.00 33.50 32.54 1bb9 n PRO 56 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1bb9 n GLU 57 N -2.22 0.21 0.00 -0.52 4.71 -1.26 -2.33 120.64 119.23 1bb9 n GLU 57 Ca 0.02 0.17 0.13 0.00 -0.01 0.00 0.00 57.16 57.46 1bb9 n GLU 57 Cb 0.21 -1.74 0.28 0.00 -1.01 0.00 0.00 31.44 29.19 1bb9 n GLU 57 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1bb9 n GLU 58 N -2.11 1.23 -2.76 3.49 0.28 -0.97 -4.90 120.64 114.90 1bb9 n GLU 58 Ca 0.06 -0.85 -0.42 0.00 -0.16 0.00 0.00 57.16 55.79 1bb9 n GLU 58 Cb 0.41 -1.48 -0.03 0.00 1.43 0.00 0.00 31.44 31.77 1bb9 n GLU 58 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1bb9 s GLN 59 N -2.35 4.33 -0.10 3.44 0.74 -0.99 -5.04 119.66 119.69 1bb9 s GLN 59 Ca 0.26 1.23 0.00 0.00 0.05 0.00 0.00 55.36 56.90 1bb9 s GLN 59 Cb 0.19 -3.58 -0.02 0.00 1.10 0.00 0.00 33.01 30.70 1bb9 s GLN 59 CO 0.48 -0.40 -0.10 -0.51 -0.55 0.00 0.00 175.29 174.21 1bb9 s ASP 60 N 1.15 4.35 0.26 6.67 1.01 -1.26 -5.05 116.67 123.80 1bb9 s ASP 60 Ca 0.43 -0.16 -0.31 0.00 0.71 0.00 0.00 52.55 53.22 1bb9 s ASP 60 Cb -0.17 -1.32 -0.12 0.00 1.01 0.00 0.00 42.92 42.32 1bb9 s ASP 60 CO 0.13 0.27 1.58 1.21 0.21 0.00 0.00 175.17 178.57 1bb9 n GLU 61 N 2.82 2.56 -0.35 8.23 2.13 -1.26 -2.21 120.64 132.57 1bb9 n GLU 61 Ca -0.18 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.56 1bb9 n GLU 61 Cb 0.53 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.55 1bb9 n GLU 61 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bb9 n GLY 62 N 2.52 0.71 3.36 8.31 0.00 -1.26 -5.06 105.19 113.77 1bb9 n GLY 62 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1bb9 n GLY 62 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1bb9 s TRP 63 N -2.54 2.41 0.32 1.61 0.52 -0.94 -0.99 118.94 119.34 1bb9 s TRP 63 Ca 0.00 -0.37 0.09 0.00 0.02 0.00 0.00 56.10 55.85 1bb9 s TRP 63 Cb 0.00 -1.48 -0.05 0.00 -1.15 0.00 0.00 33.47 30.79 1bb9 s TRP 63 CO 0.00 0.08 -0.03 -0.51 0.02 0.00 0.00 176.95 176.51 1bb9 s LEU 64 N -0.93 2.93 -0.16 2.99 1.43 0.27 -4.82 118.68 120.39 1bb9 s LEU 64 Ca 0.11 -0.97 -0.04 0.00 -1.03 0.00 0.00 54.13 52.20 1bb9 s LEU 64 Cb -0.10 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 1bb9 s LEU 64 CO 0.01 -0.17 -0.03 -0.32 0.23 0.00 0.00 176.35 176.07 1bb9 s MET 65 N -3.67 3.67 0.31 1.70 -2.45 -1.26 -0.97 119.30 116.63 1bb9 s MET 65 Ca 0.33 -0.52 -0.04 0.00 -1.25 0.00 0.00 55.69 54.21 1bb9 s MET 65 Cb -0.01 -2.93 0.02 0.00 1.25 0.00 0.00 34.83 33.16 1bb9 s MET 65 CO 0.19 0.22 0.49 0.41 1.05 0.00 0.00 175.02 177.37 1bb9 n GLY 66 N 3.59 1.95 2.79 2.11 0.00 -0.16 -1.65 105.19 113.82 1bb9 n GLY 66 Ca -0.17 -1.49 -0.15 0.00 0.00 0.00 0.00 46.02 44.21 1bb9 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bb9 s VAL 67 N -2.62 -0.01 0.48 1.61 0.11 -0.34 -1.13 120.40 118.50 1bb9 s VAL 67 Ca 0.22 0.18 -0.24 0.00 -2.93 0.00 0.00 61.98 59.21 1bb9 s VAL 67 Cb -0.02 -0.12 -0.07 0.00 -1.53 0.00 0.00 36.38 34.64 1bb9 s VAL 67 CO 0.16 0.10 1.35 -0.54 -3.33 0.00 0.00 175.10 172.83 1bb9 s LYS 68 N 1.02 3.56 0.32 1.54 1.02 -1.26 -0.82 119.74 125.11 1bb9 s LYS 68 Ca -0.09 2.22 0.01 0.00 0.02 0.00 0.00 55.97 58.14 1bb9 s LYS 68 Cb -0.13 -2.51 0.57 0.00 -0.52 0.00 0.00 37.83 35.24 1bb9 s LYS 68 CO -0.03 -0.85 1.93 1.49 -0.92 0.00 0.00 175.35 176.98 1bb9 h GLU 69 N 2.06 0.95 0.25 1.68 4.81 -1.59 -1.83 114.58 120.91 1bb9 h GLU 69 Ca -0.50 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 1bb9 h GLU 69 Cb 1.27 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 1bb9 h GLU 69 CO 0.60 0.63 -0.22 1.03 -0.73 0.00 0.00 179.01 180.32 1bb9 h SER 70 N 0.98 -0.58 -0.50 1.04 0.87 -1.91 -1.69 113.55 111.76 1bb9 h SER 70 Ca 0.35 0.05 0.04 0.00 -1.23 0.00 0.00 61.79 61.00 1bb9 h SER 70 Cb 0.15 0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 1bb9 h SER 70 CO -0.12 -0.33 0.26 0.44 -0.53 0.00 0.00 176.83 176.55 1bb9 h ASP 71 N -0.49 0.39 -0.33 6.23 3.32 -1.82 -2.79 116.42 120.93 1bb9 h ASP 71 Ca -0.01 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.09 1bb9 h ASP 71 Cb 0.44 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 1bb9 h ASP 71 CO -0.03 0.27 0.17 -0.25 -1.72 0.00 0.00 179.24 177.68 1bb9 h TRP 72 N 0.52 0.32 0.00 4.55 2.91 -1.16 -2.75 115.95 120.33 1bb9 h TRP 72 Ca 0.22 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.25 1bb9 h TRP 72 Cb 0.10 -0.09 -0.00 0.00 -0.51 0.00 0.00 29.16 28.66 1bb9 h TRP 72 CO -0.09 0.17 -0.02 -0.91 -1.03 0.00 0.00 178.44 176.56 1bb9 h ASN 73 N 0.35 0.00 -0.62 2.65 2.35 -1.08 -1.10 115.58 118.13 1bb9 h ASN 73 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1bb9 h ASN 73 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1bb9 h ASN 73 CO -0.09 0.02 0.00 0.00 -1.65 0.00 0.00 177.43 175.70 1bb9 n GLN 74 N -3.21 3.35 -3.78 0.81 6.02 -1.06 -4.76 117.38 114.76 1bb9 n GLN 74 Ca -0.02 -2.61 -0.29 0.00 -0.01 0.00 0.00 57.00 54.07 1bb9 n GLN 74 Cb 0.15 -1.79 -0.01 0.00 1.02 0.00 0.00 30.24 29.61 1bb9 n GLN 74 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1bb9 n HIS 75 N 1.12 -1.81 -1.67 1.08 8.25 -0.42 -4.97 115.22 116.81 1bb9 n HIS 75 Ca 0.24 0.64 -0.33 0.00 -0.26 0.00 0.00 57.72 58.01 1bb9 n HIS 75 Cb 0.78 -2.96 0.06 0.00 1.12 0.00 0.00 29.99 28.99 1bb9 n HIS 75 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1bb9 s LYS 76 N -6.45 2.69 0.20 -0.41 1.02 -1.09 -4.93 119.74 110.76 1bb9 s LYS 76 Ca 0.57 1.37 -0.30 0.00 0.02 0.00 0.00 55.97 57.63 1bb9 s LYS 76 Cb -0.31 -1.94 -0.08 0.00 -0.52 0.00 0.00 37.83 34.98 1bb9 s LYS 76 CO 0.70 -1.34 1.21 -1.21 -0.92 0.00 0.00 175.35 173.80 1bb9 s GLU 77 N -4.21 4.48 0.13 1.68 2.02 -1.26 -4.85 118.70 116.69 1bb9 s GLU 77 Ca 0.66 1.91 -0.17 0.00 0.02 0.00 0.00 54.97 57.40 1bb9 s GLU 77 Cb -0.20 -3.22 -0.01 0.00 0.10 0.00 0.00 34.13 30.79 1bb9 s GLU 77 CO 0.44 -0.10 1.71 1.25 0.02 0.00 0.00 175.26 178.58 1bb9 h LEU 78 N 5.11 0.48 -1.60 1.80 5.85 -1.98 -2.26 115.31 122.71 1bb9 h LEU 78 Ca -0.45 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.18 1bb9 h LEU 78 Cb 1.21 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 1bb9 h LEU 78 CO 0.74 0.47 0.32 -0.33 -0.34 0.00 0.00 178.44 179.30 1bb9 h GLU 79 N 0.45 0.51 0.00 1.25 3.07 -1.95 -1.74 114.58 116.17 1bb9 h GLU 79 Ca 0.13 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 1bb9 h GLU 79 Cb 0.12 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1bb9 h GLU 79 CO -0.02 0.34 -0.35 1.63 -1.40 0.00 0.00 179.01 179.22 1bb9 n LYS 80 N -4.47 0.20 -0.00 2.33 4.76 -0.88 -4.29 118.16 115.80 1bb9 n LYS 80 Ca 0.05 0.10 0.03 0.00 -2.87 0.00 0.00 58.31 55.62 1bb9 n LYS 80 Cb 0.15 -1.67 -0.03 0.00 -1.84 0.00 0.00 35.03 31.63 1bb9 n LYS 80 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bb9 s ARG 82 N -1.84 2.61 0.07 0.00 1.70 -0.78 -4.61 118.95 116.10 1bb9 s ARG 82 Ca 0.00 0.99 -0.27 0.00 -0.47 0.00 0.00 55.73 55.98 1bb9 s ARG 82 Cb 0.04 -1.95 0.09 0.00 -0.57 0.00 0.00 34.95 32.56 1bb9 s ARG 82 CO 0.21 -1.34 1.13 0.20 -1.08 0.00 0.00 175.30 174.43 1bb9 s GLY 83 N -3.68 -0.28 0.12 3.88 0.00 -0.28 -4.86 107.32 102.22 1bb9 s GLY 83 Ca 0.59 0.34 -0.00 0.00 0.00 0.00 0.00 44.72 45.65 1bb9 s GLY 83 CO 0.55 0.52 0.28 -1.34 0.00 0.00 0.00 173.10 173.12 1bb9 s VAL 84 N -2.74 5.31 0.09 1.40 -7.23 -0.25 -0.99 120.40 115.99 1bb9 s VAL 84 Ca 0.15 -0.41 -0.17 0.00 -1.81 0.00 0.00 61.98 59.74 1bb9 s VAL 84 Cb 0.01 -3.68 0.03 0.00 0.56 0.00 0.00 36.38 33.31 1bb9 s VAL 84 CO -0.00 0.01 0.40 0.72 -0.31 0.00 0.00 175.10 175.91 1bb9 s PHE 85 N -1.66 -0.22 -0.14 2.82 -0.71 -0.14 -0.66 117.98 117.26 1bb9 s PHE 85 Ca 0.36 0.02 -0.29 0.00 -1.04 0.00 0.00 56.93 55.97 1bb9 s PHE 85 Cb -0.12 0.23 -0.01 0.00 -1.21 0.00 0.00 43.02 41.91 1bb9 s PHE 85 CO 0.28 -0.64 1.18 -2.14 -1.34 0.00 0.00 175.22 172.55 1bb9 s PRO 86 N -3.26 4.29 0.34 1.99 0.02 -1.26 -0.56 135.00 136.55 1bb9 s PRO 86 Ca -0.00 1.58 0.08 0.00 0.02 0.00 0.00 61.00 62.68 1bb9 s PRO 86 Cb 0.01 -3.66 0.80 0.00 0.02 0.00 0.00 34.50 31.66 1bb9 s PRO 86 CO -0.08 -0.59 1.83 1.05 -0.33 0.00 0.00 177.00 178.88 1bb9 h GLU 87 N 7.75 0.70 -0.10 5.54 -0.00 -1.38 -1.75 114.58 125.33 1bb9 h GLU 87 Ca -0.27 -0.04 0.00 0.00 -0.00 0.00 0.00 59.36 59.04 1bb9 h GLU 87 Cb 1.11 -0.16 0.00 0.00 -0.00 0.00 0.00 28.75 29.71 1bb9 h GLU 87 CO 0.94 0.46 0.00 0.27 -0.00 0.00 0.00 179.01 180.68 1bb9 n ASN 88 N -4.63 0.61 -0.22 3.06 6.94 -1.26 -1.43 115.26 118.32 1bb9 n ASN 88 Ca 0.20 -1.89 0.14 0.00 -0.02 0.00 0.00 54.58 53.02 1bb9 n ASN 88 Cb 0.53 -0.07 0.60 0.00 -2.36 0.00 0.00 39.78 38.48 1bb9 n ASN 88 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1bb9 n PHE 89 N -0.22 0.00 -4.45 -2.53 3.01 -0.66 -4.91 117.46 107.71 1bb9 n PHE 89 Ca 0.06 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.30 1bb9 n PHE 89 Cb 0.11 -0.09 -0.10 0.00 -0.01 0.00 0.00 39.48 39.39 1bb9 n PHE 89 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1bb9 s THR 90 N -2.27 0.86 0.01 4.37 -4.23 -0.52 -0.86 115.64 113.00 1bb9 s THR 90 Ca 0.34 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.83 1bb9 s THR 90 Cb 0.20 -2.61 -0.01 0.00 1.34 0.00 0.00 72.50 71.42 1bb9 s THR 90 CO 0.43 0.00 0.01 -1.83 -0.54 0.00 0.00 174.62 172.69 1bb9 s GLU 91 N -3.85 0.26 0.36 3.99 -1.05 -0.81 -4.87 118.70 112.73 1bb9 s GLU 91 Ca 0.32 -0.39 -0.29 0.00 -0.15 0.00 0.00 54.97 54.46 1bb9 s GLU 91 Cb 0.06 0.10 -0.11 0.00 -0.44 0.00 0.00 34.13 33.74 1bb9 s GLU 91 CO 0.15 -0.05 1.52 1.03 0.95 0.00 0.00 175.26 178.86 1bb9 s ARG 92 N -1.03 4.10 0.27 -4.83 0.52 -1.26 -1.03 118.95 115.69 1bb9 s ARG 92 Ca -0.11 2.59 0.01 0.00 -0.52 0.00 0.00 55.73 57.70 1bb9 s ARG 92 Cb -0.07 -2.98 -0.01 0.00 0.52 0.00 0.00 34.95 32.42 1bb9 s ARG 92 CO -0.00 -0.57 0.05 1.33 0.02 0.00 0.00 175.30 176.12 1bb9 n VAL 93 N 0.88 0.00 -0.61 3.52 0.24 0.15 -4.83 118.33 117.68 1bb9 n VAL 93 Ca 0.03 -1.43 0.00 0.00 -2.04 0.00 0.00 64.34 60.89 1bb9 n VAL 93 Cb 0.39 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 33.18 1bb9 n VAL 93 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69