#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bn8 n TYR 22 N 0.00 1.08 -3.00 7.33 0.18 -1.26 -4.87 117.16 116.62 2bn8 n TYR 22 Ca 0.00 1.17 0.00 0.00 1.88 0.00 0.00 57.90 60.95 2bn8 n TYR 22 Cb 0.00 -1.52 0.00 0.00 -0.38 0.00 0.00 39.34 37.44 2bn8 n TYR 22 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 2bn8 n VAL 23 N -5.26 -1.81 -0.91 -3.48 0.31 -1.26 -4.69 118.33 101.23 2bn8 n VAL 23 Ca 0.35 0.44 -0.16 0.00 -0.01 0.00 0.00 64.34 64.97 2bn8 n VAL 23 Cb 1.20 -2.77 -0.12 0.00 -0.91 0.00 0.00 33.84 31.25 2bn8 n VAL 23 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2bn8 n PRO 24 N 1.31 2.04 0.00 5.55 -0.02 -1.26 -4.60 135.00 138.01 2bn8 n PRO 24 Ca 0.00 -1.11 0.00 0.00 -2.02 0.00 0.00 63.50 60.37 2bn8 n PRO 24 Cb 0.44 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2bn8 n PRO 24 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2bn8 n ARG 25 N 2.87 0.57 0.00 -0.52 -4.01 -1.26 -4.88 116.66 109.43 2bn8 n ARG 25 Ca 0.44 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.25 2bn8 n ARG 25 Cb 0.64 -1.26 0.00 0.00 -3.04 0.00 0.00 32.46 28.80 2bn8 n ARG 25 CO 0.00 0.00 0.00 0.25 -3.04 0.00 0.00 177.63 174.84 2bn8 n THR 26 N 0.38 0.00 -3.85 8.89 -2.24 -1.26 -4.62 114.28 111.57 2bn8 n THR 26 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 2bn8 n THR 26 Cb 0.19 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.26 2bn8 n THR 26 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2bn8 s GLU 27 N 0.00 1.19 -0.84 -0.78 2.56 -1.26 -5.07 118.70 114.50 2bn8 s GLU 27 Ca 0.00 -0.85 -0.26 0.00 0.00 0.00 0.00 54.97 53.85 2bn8 s GLU 27 Cb 0.00 -2.39 -0.19 0.00 2.00 0.00 0.00 34.13 33.55 2bn8 s GLU 27 CO 0.00 -0.67 2.52 -2.30 -0.56 0.00 0.00 175.26 174.25 2bn8 n PRO 28 N 4.80 0.33 -2.87 4.30 -0.02 -1.26 -4.90 135.00 135.37 2bn8 n PRO 28 Ca -0.09 -0.07 -0.35 0.00 -2.02 0.00 0.00 63.50 60.97 2bn8 n PRO 28 Cb 0.45 -2.14 -0.07 0.00 -0.02 0.00 0.00 33.50 31.72 2bn8 n PRO 28 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bn8 s ALA 29 N 9.11 3.19 0.13 3.55 0.00 -1.23 -4.71 121.76 131.80 2bn8 s ALA 29 Ca 1.22 0.39 -0.23 0.00 0.00 0.00 0.00 51.96 53.33 2bn8 s ALA 29 Cb -0.82 -3.08 -0.03 0.00 0.00 0.00 0.00 23.12 19.19 2bn8 s ALA 29 CO 0.41 0.20 1.65 -1.35 0.00 0.00 0.00 175.76 176.67 2bn8 h PRO 30 N 2.72 -0.25 0.00 0.00 0.11 -1.96 0.98 132.00 133.60 2bn8 h PRO 30 Ca -0.48 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2bn8 h PRO 30 Cb 1.19 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2bn8 h PRO 30 CO 0.64 -0.17 0.00 -1.35 -0.21 0.00 0.00 178.00 176.91 2bn8 h PRO 31 N -0.26 0.00 -0.25 1.05 0.11 -2.01 -3.38 132.00 127.26 2bn8 h PRO 31 Ca 0.09 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.25 2bn8 h PRO 31 Cb 0.38 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 31.33 2bn8 h PRO 31 CO -0.24 0.00 -0.14 -1.83 -0.21 0.00 0.00 178.00 175.58 2bn8 s GLU 32 N -3.55 0.24 0.00 1.05 4.04 -0.51 -4.85 118.70 115.13 2bn8 s GLU 32 Ca -0.00 -0.18 0.00 0.00 0.04 0.00 0.00 54.97 54.83 2bn8 s GLU 32 Cb 0.08 0.00 0.00 0.00 0.02 0.00 0.00 34.13 34.24 2bn8 s GLU 32 CO 0.32 -0.31 0.00 0.72 -1.84 0.00 0.00 175.26 174.15 2bn8 n HIS 33 N 3.09 0.00 -3.18 4.83 8.25 0.33 -3.51 115.22 125.04 2bn8 n HIS 33 Ca 0.09 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.34 2bn8 n HIS 33 Cb 0.64 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.70 2bn8 n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2bn8 n ALA 34 N -3.00 2.66 -2.18 -1.41 0.00 -1.26 -4.15 120.51 111.17 2bn8 n ALA 34 Ca 0.00 -3.69 -0.43 0.00 0.00 0.00 0.00 53.44 49.32 2bn8 n ALA 34 Cb 0.00 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 2bn8 n ALA 34 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2bn8 s ILE 35 N -2.32 3.69 -1.91 0.00 1.09 -1.25 -4.84 121.20 115.66 2bn8 s ILE 35 Ca 0.40 0.69 0.00 0.00 -1.10 0.00 0.00 60.65 60.63 2bn8 s ILE 35 Cb 0.27 -3.96 0.00 0.00 -1.06 0.00 0.00 42.46 37.71 2bn8 s ILE 35 CO -0.09 -0.63 0.65 2.29 -0.10 0.00 0.00 174.94 177.06 2bn8 n LYS 36 N 8.30 0.69 0.00 2.79 0.00 -1.26 -0.62 118.16 128.05 2bn8 n LYS 36 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 2bn8 n LYS 36 Cb 0.48 -1.03 0.00 0.00 -0.00 0.00 0.00 35.03 34.48 2bn8 n LYS 36 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 2bn8 n MET 37 N -0.44 0.00 -2.79 -1.58 0.00 -1.26 -1.76 117.12 109.29 2bn8 n MET 37 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.70 57.60 2bn8 n MET 37 Cb 0.02 0.00 0.06 0.00 0.00 0.00 0.00 33.22 33.30 2bn8 n MET 37 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2bn8 n ASP 38 N 2.44 -0.70 -3.14 6.12 -0.08 -1.26 -5.00 116.55 114.93 2bn8 n ASP 38 Ca 0.00 -2.94 -0.05 0.00 -1.51 0.00 0.00 54.79 50.29 2bn8 n ASP 38 Cb 0.00 0.57 0.02 0.00 2.34 0.00 0.00 41.12 44.05 2bn8 n ASP 38 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2bn8 n SER 39 N -0.06 -7.39 -2.21 1.67 7.64 -0.72 -4.92 113.62 107.62 2bn8 n SER 39 Ca 0.07 -0.27 -0.30 0.00 1.01 0.00 0.00 58.87 59.39 2bn8 n SER 39 Cb 0.77 -5.12 0.09 0.00 -1.01 0.00 0.00 64.21 58.94 2bn8 n SER 39 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2bn8 n PHE 40 N -2.18 3.03 0.00 1.43 -0.00 -1.22 -5.01 117.46 113.51 2bn8 n PHE 40 Ca -0.03 -2.67 0.00 0.00 -0.00 0.00 0.00 57.45 54.75 2bn8 n PHE 40 Cb 0.54 -1.18 0.00 0.00 -0.00 0.00 0.00 39.48 38.84 2bn8 n PHE 40 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2bn8 n ARG 41 N -0.94 0.00 -0.57 -4.13 5.12 -1.26 -1.77 116.66 113.11 2bn8 n ARG 41 Ca 0.58 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 56.53 2bn8 n ARG 41 Cb 0.87 0.00 0.20 0.00 -1.16 0.00 0.00 32.46 32.38 2bn8 n ARG 41 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2bn8 n ASP 42 N 4.28 2.53 -4.18 0.55 9.92 -1.26 -4.96 116.55 123.44 2bn8 n ASP 42 Ca 0.00 -3.55 -0.34 0.00 -0.53 0.00 0.00 54.79 50.37 2bn8 n ASP 42 Cb 0.00 -0.56 -0.14 0.00 -0.64 0.00 0.00 41.12 39.78 2bn8 n ASP 42 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2bn8 s VAL 43 N -3.11 2.84 -0.07 2.53 1.01 -0.73 -2.82 120.40 120.05 2bn8 s VAL 43 Ca 0.40 -1.22 0.05 0.00 0.00 0.00 0.00 61.98 61.22 2bn8 s VAL 43 Cb 0.36 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 2bn8 s VAL 43 CO 0.00 0.07 -0.23 0.26 0.00 0.00 0.00 175.10 175.20 2bn8 s TRP 44 N 1.28 2.36 -0.36 5.22 0.51 -0.49 -4.52 118.94 122.94 2bn8 s TRP 44 Ca -0.03 -0.78 -0.28 0.00 -2.12 0.00 0.00 56.10 52.89 2bn8 s TRP 44 Cb -0.18 -1.56 -0.01 0.00 -0.81 0.00 0.00 33.47 30.91 2bn8 s TRP 44 CO -0.03 -0.27 1.71 1.41 -0.51 0.00 0.00 176.95 179.26 2bn8 s MET 45 N 0.02 3.37 -0.11 4.98 -2.45 0.21 -1.52 119.30 123.81 2bn8 s MET 45 Ca -0.08 1.29 0.02 0.00 -1.25 0.00 0.00 55.69 55.67 2bn8 s MET 45 Cb -0.15 -4.17 0.01 0.00 1.25 0.00 0.00 34.83 31.78 2bn8 s MET 45 CO 0.05 -1.82 -0.16 -1.17 1.05 0.00 0.00 175.02 172.97 2bn8 s LEU 46 N 6.63 1.79 -1.70 4.11 0.20 0.96 -3.81 118.68 126.87 2bn8 s LEU 46 Ca 0.75 -0.45 0.00 0.00 0.69 0.00 0.00 54.13 55.13 2bn8 s LEU 46 Cb -0.20 -1.13 0.00 0.00 -0.43 0.00 0.00 46.19 44.43 2bn8 s LEU 46 CO 0.33 0.04 0.00 0.54 -0.29 0.00 0.00 176.35 176.97 2bn8 n ARG 47 N 4.09 -1.26 0.00 1.98 1.74 -1.26 -1.72 116.66 120.22 2bn8 n ARG 47 Ca -0.19 1.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.89 2bn8 n ARG 47 Cb 0.51 -5.32 0.00 0.00 -1.02 0.00 0.00 32.46 26.63 2bn8 n ARG 47 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bn8 n GLY 48 N -0.92 3.30 2.26 -0.13 0.00 -1.26 -5.03 105.19 103.42 2bn8 n GLY 48 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 2bn8 n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bn8 n LYS 49 N -1.75 0.78 -3.82 1.61 5.02 -0.70 -5.06 118.16 114.24 2bn8 n LYS 49 Ca 0.00 -1.82 -0.36 0.00 -2.02 0.00 0.00 58.31 54.11 2bn8 n LYS 49 Cb 0.00 -0.12 -0.13 0.00 -0.02 0.00 0.00 35.03 34.76 2bn8 n LYS 49 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2bn8 s TYR 50 N -1.11 3.26 0.18 2.13 2.02 -0.77 -0.03 117.35 123.03 2bn8 s TYR 50 Ca 0.34 -1.64 0.05 0.00 -0.37 0.00 0.00 57.07 55.45 2bn8 s TYR 50 Cb -0.03 -2.21 -0.04 0.00 -0.40 0.00 0.00 41.96 39.29 2bn8 s TYR 50 CO 0.22 -0.77 0.21 0.08 -1.57 0.00 0.00 175.55 173.72 2bn8 s VAL 51 N 1.33 4.81 0.05 0.71 1.01 -0.57 -1.40 120.40 126.34 2bn8 s VAL 51 Ca -0.03 -1.00 0.09 0.00 0.00 0.00 0.00 61.98 61.04 2bn8 s VAL 51 Cb -0.20 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 2bn8 s VAL 51 CO 0.01 -0.16 -0.26 0.00 0.00 0.00 0.00 175.10 174.69 2bn8 s ALA 52 N -1.83 2.26 -0.27 5.51 0.00 -1.26 -1.39 121.76 124.79 2bn8 s ALA 52 Ca 0.33 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 51.02 2bn8 s ALA 52 Cb -0.10 -0.48 0.08 0.00 0.00 0.00 0.00 23.12 22.62 2bn8 s ALA 52 CO 0.26 0.53 0.01 -0.06 0.00 0.00 0.00 175.76 176.50 2bn8 s PHE 53 N -0.81 2.44 -0.30 0.00 0.08 -1.13 -2.42 117.98 115.84 2bn8 s PHE 53 Ca 0.12 -1.96 -0.18 0.00 0.12 0.00 0.00 56.93 55.03 2bn8 s PHE 53 Cb -0.10 -1.85 0.19 0.00 -0.57 0.00 0.00 43.02 40.69 2bn8 s PHE 53 CO 0.02 -0.83 1.23 0.54 -0.10 0.00 0.00 175.22 176.08 2bn8 s VAL 54 N 1.37 -0.10 0.23 -0.44 0.11 -1.25 -4.91 120.40 115.41 2bn8 s VAL 54 Ca 0.01 0.00 0.11 0.00 -2.93 0.00 0.00 61.98 59.18 2bn8 s VAL 54 Cb -0.18 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.62 2bn8 s VAL 54 CO -0.11 0.00 -0.21 -0.22 -3.33 0.00 0.00 175.10 171.23 2bn8 s LEU 55 N 1.82 2.53 -1.13 2.54 0.20 -1.18 -4.43 118.68 119.04 2bn8 s LEU 55 Ca -0.02 -0.91 -0.16 0.00 0.69 0.00 0.00 54.13 53.73 2bn8 s LEU 55 Cb -0.02 -1.18 0.15 0.00 -0.43 0.00 0.00 46.19 44.71 2bn8 s LEU 55 CO -0.15 0.09 1.36 0.00 -0.29 0.00 0.00 176.35 177.36 2bn8 s MET 56 N -3.00 3.94 0.00 1.98 0.23 -1.26 -4.42 119.30 116.77 2bn8 s MET 56 Ca 0.24 -2.29 0.00 0.00 -1.03 0.00 0.00 55.69 52.61 2bn8 s MET 56 Cb -0.07 -5.05 0.00 0.00 -1.53 0.00 0.00 34.83 28.18 2bn8 s MET 56 CO 0.12 -1.80 0.00 0.41 -2.03 0.00 0.00 175.02 171.72 2bn8 n GLY 57 N 4.62 -1.03 0.00 3.16 0.00 -1.26 -4.93 105.19 105.74 2bn8 n GLY 57 Ca 0.34 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.73 2bn8 n GLY 57 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2bn8 n GLU 58 N 0.00 0.00 -0.90 1.61 0.28 -1.26 -5.15 120.64 115.22 2bn8 n GLU 58 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2bn8 n GLU 58 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2bn8 n GLU 58 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2bn8 n SER 59 N 0.00 0.12 -3.26 -1.84 7.64 -1.26 -5.02 113.62 109.99 2bn8 n SER 59 Ca 0.00 -0.85 -0.21 0.00 1.01 0.00 0.00 58.87 58.82 2bn8 n SER 59 Cb 0.16 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.29 2bn8 n SER 59 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2bn8 s PHE 60 N 1.04 0.26 -0.04 1.43 0.08 -1.26 -3.08 117.98 116.42 2bn8 s PHE 60 Ca 0.00 -1.65 -0.28 0.00 0.12 0.00 0.00 56.93 55.12 2bn8 s PHE 60 Cb 0.00 -0.57 -0.03 0.00 -0.57 0.00 0.00 43.02 41.85 2bn8 s PHE 60 CO 0.00 -0.95 0.89 -0.48 -0.10 0.00 0.00 175.22 174.58 2bn8 s LEU 61 N 0.55 4.33 0.25 -0.37 -0.00 -1.26 -4.54 118.68 117.63 2bn8 s LEU 61 Ca 0.28 1.47 -0.20 0.00 -0.00 0.00 0.00 54.13 55.68 2bn8 s LEU 61 Cb -0.03 -3.40 -0.09 0.00 -0.00 0.00 0.00 46.19 42.68 2bn8 s LEU 61 CO -0.12 -0.24 0.76 0.00 -0.00 0.00 0.00 176.35 176.76 2bn8 s ARG 62 N 1.09 4.29 0.70 1.48 1.70 -1.26 -3.82 118.95 123.13 2bn8 s ARG 62 Ca 0.46 0.93 -0.11 0.00 -0.47 0.00 0.00 55.73 56.55 2bn8 s ARG 62 Cb -0.19 -2.83 0.01 0.00 -0.57 0.00 0.00 34.95 31.37 2bn8 s ARG 62 CO 0.23 0.35 1.07 -1.54 -1.08 0.00 0.00 175.30 174.34 2bn8 s SER 63 N -1.69 5.44 0.00 -2.89 1.04 -1.02 -4.91 113.70 109.67 2bn8 s SER 63 Ca 0.45 1.37 0.00 0.00 0.48 0.00 0.00 55.95 58.25 2bn8 s SER 63 Cb -0.16 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.71 2bn8 s SER 63 CO 0.21 -1.38 0.39 -0.81 0.98 0.00 0.00 173.24 172.63 2bn8 n PRO 64 N -3.06 0.41 -1.72 4.02 -0.04 -1.26 -4.67 135.00 128.69 2bn8 n PRO 64 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2bn8 n PRO 64 Cb 0.55 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 2bn8 n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bn8 n ALA 65 N -0.39 -2.30 -2.65 0.55 0.00 -1.26 -5.04 120.51 109.42 2bn8 n ALA 65 Ca 0.00 0.35 -0.30 0.00 0.00 0.00 0.00 53.44 53.49 2bn8 n ALA 65 Cb 0.01 -1.16 -0.09 0.00 0.00 0.00 0.00 19.45 18.21 2bn8 n ALA 65 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2bn8 s PHE 66 N -0.39 2.90 -0.20 0.00 0.40 -0.49 -4.82 117.98 115.37 2bn8 s PHE 66 Ca 0.00 -0.08 0.29 0.00 -0.60 0.00 0.00 56.93 56.54 2bn8 s PHE 66 Cb 0.00 -1.50 1.08 0.00 0.51 0.00 0.00 43.02 43.12 2bn8 s PHE 66 CO 0.00 0.46 1.84 0.00 0.70 0.00 0.00 175.22 178.22 2bn8 h THR 67 N 3.01 0.00 -3.39 0.64 1.03 -1.96 -2.06 112.91 110.18 2bn8 h THR 67 Ca -0.48 -0.49 -0.64 0.00 -0.01 0.00 0.00 66.41 64.79 2bn8 h THR 67 Cb 1.17 1.41 -0.23 0.00 -1.07 0.00 0.00 68.15 69.42 2bn8 h THR 67 CO 0.57 0.00 -0.67 -0.69 -0.01 0.00 0.00 175.52 174.72 2bn8 s VAL 68 N -3.46 3.89 0.09 0.00 1.01 -1.26 -4.87 120.40 115.79 2bn8 s VAL 68 Ca 0.04 -0.34 -0.27 0.00 0.00 0.00 0.00 61.98 61.41 2bn8 s VAL 68 Cb 0.09 -2.74 -0.15 0.00 0.00 0.00 0.00 36.38 33.58 2bn8 s VAL 68 CO 0.52 0.45 1.69 -0.65 0.00 0.00 0.00 175.10 177.11 2bn8 h PRO 69 N 7.28 -0.33 -0.25 2.72 0.11 -1.93 -2.82 132.00 136.78 2bn8 h PRO 69 Ca -0.35 0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.80 2bn8 h PRO 69 Cb 1.18 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2bn8 h PRO 69 CO 0.61 -0.22 0.17 1.05 -0.21 0.00 0.00 178.00 179.40 2bn8 h GLU 70 N -0.35 0.26 -0.66 1.05 4.11 -1.97 -0.76 114.58 116.27 2bn8 h GLU 70 Ca -0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2bn8 h GLU 70 Cb 0.28 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2bn8 h GLU 70 CO 0.03 0.17 0.42 0.77 0.07 0.00 0.00 179.01 180.47 2bn8 h SER 71 N 0.27 0.76 0.96 3.06 0.02 -1.92 -0.75 113.55 115.97 2bn8 h SER 71 Ca 0.10 -0.03 -0.18 0.00 -0.84 0.00 0.00 61.79 60.84 2bn8 h SER 71 Cb 0.06 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 2bn8 h SER 71 CO -0.02 0.57 -1.11 0.00 -1.14 0.00 0.00 176.83 175.13 2bn8 h ALA 72 N 1.57 0.61 0.36 3.77 0.00 -1.23 -3.24 119.26 121.09 2bn8 h ALA 72 Ca 0.24 -0.86 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 2bn8 h ALA 72 Cb -0.08 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2bn8 h ALA 72 CO -0.05 1.03 -0.17 0.37 0.00 0.00 0.00 179.25 180.43 2bn8 h GLN 73 N 0.00 -0.47 -0.21 0.00 4.15 -0.51 -1.88 115.11 116.20 2bn8 h GLN 73 Ca -0.10 0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.40 2bn8 h GLN 73 Cb 1.65 0.11 -0.05 0.00 0.21 0.00 0.00 27.48 29.39 2bn8 h GLN 73 CO 0.08 -0.15 -0.14 0.00 -1.93 0.00 0.00 178.83 176.68 2bn8 h ARG 74 N -0.83 -0.14 -0.56 1.69 3.08 -1.31 0.11 114.38 116.41 2bn8 h ARG 74 Ca -0.05 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.08 2bn8 h ARG 74 Cb 0.53 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 2bn8 h ARG 74 CO 0.08 -0.09 0.37 2.35 -1.07 0.00 0.00 179.97 181.61 2bn8 h TRP 75 N -0.14 0.49 -0.19 3.04 7.01 -1.61 0.66 115.95 125.21 2bn8 h TRP 75 Ca 0.12 0.01 -0.21 0.00 2.11 0.00 0.00 58.89 60.92 2bn8 h TRP 75 Cb 0.32 -0.16 0.01 0.00 -2.10 0.00 0.00 29.16 27.23 2bn8 h TRP 75 CO -0.30 0.26 -0.71 0.00 -2.79 0.00 0.00 178.44 174.90 2bn8 h ALA 76 N 1.70 0.35 -0.10 2.65 0.00 -0.26 -2.39 119.26 121.21 2bn8 h ALA 76 Ca 0.24 -0.58 -0.18 0.00 0.00 0.00 0.00 54.91 54.40 2bn8 h ALA 76 Cb 0.34 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2bn8 h ALA 76 CO -0.07 0.68 -0.70 -0.91 0.00 0.00 0.00 179.25 178.25 2bn8 h ASN 77 N 0.58 0.51 -0.03 0.00 -0.26 -0.10 -2.93 115.58 113.35 2bn8 h ASN 77 Ca -0.03 -0.32 -0.01 0.00 -0.56 0.00 0.00 56.30 55.37 2bn8 h ASN 77 Cb 1.34 -0.15 -0.00 0.00 -1.06 0.00 0.00 38.32 38.45 2bn8 h ASN 77 CO 0.15 1.06 -0.01 1.56 -1.06 0.00 0.00 177.43 179.12 2bn8 h GLN 78 N 0.31 0.07 0.00 0.81 4.20 -0.93 -1.24 115.11 118.32 2bn8 h GLN 78 Ca -0.02 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2bn8 h GLN 78 Cb 1.27 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.04 2bn8 h GLN 78 CO 0.12 0.46 0.00 1.51 -0.67 0.00 0.00 178.83 180.25 2bn8 n ILE 79 N -4.84 1.14 -0.12 2.54 3.06 -0.90 -1.27 119.36 118.97 2bn8 n ILE 79 Ca -0.08 0.29 -0.27 0.00 -2.50 0.00 0.00 62.75 60.19 2bn8 n ILE 79 Cb 0.23 -1.11 -0.11 0.00 0.54 0.00 0.00 39.64 39.20 2bn8 n ILE 79 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 2bn8 n ARG 80 N -1.44 0.58 0.04 9.51 0.63 -1.06 -2.77 116.66 122.15 2bn8 n ARG 80 Ca 0.03 0.38 -0.10 0.00 -0.92 0.00 0.00 57.85 57.24 2bn8 n ARG 80 Cb 0.11 -1.59 -0.07 0.00 0.45 0.00 0.00 32.46 31.36 2bn8 n ARG 80 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 2bn8 h GLN 81 N -0.97 -0.19 0.00 -0.14 4.20 -1.13 -3.31 115.11 113.57 2bn8 h GLN 81 Ca -0.57 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.16 2bn8 h GLN 81 Cb 1.51 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.33 2bn8 h GLN 81 CO -0.34 0.23 -0.15 0.93 -0.67 0.00 0.00 178.83 178.83 2bn8 h GLU 82 N -0.91 0.00 -4.99 1.46 4.39 -1.41 -3.49 114.58 109.63 2bn8 h GLU 82 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2bn8 h GLU 82 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2bn8 h GLU 82 CO 0.03 0.00 -0.37 0.41 -1.16 0.00 0.00 179.01 177.93 2bn8 n GLY 83 N 1.30 -1.22 5.23 -3.84 0.00 -1.16 -4.03 105.19 101.47 2bn8 n GLY 83 Ca 0.05 0.98 0.00 0.00 0.00 0.00 0.00 46.02 47.05 2bn8 n GLY 83 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2bn8 n GLU 84 N -0.54 0.00 -2.10 1.61 4.07 -1.11 -4.79 120.64 117.78 2bn8 n GLU 84 Ca 0.09 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.79 2bn8 n GLU 84 Cb 0.42 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.77 2bn8 n GLU 84 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2bn8 s VAL 85 N 0.00 3.46 -0.35 6.31 1.01 -1.26 -4.71 120.40 124.87 2bn8 s VAL 85 Ca 0.00 0.34 -0.27 0.00 0.00 0.00 0.00 61.98 62.05 2bn8 s VAL 85 Cb 0.00 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2bn8 s VAL 85 CO 0.00 -0.88 2.13 -0.89 0.00 0.00 0.00 175.10 175.46 2bn8 s THR 86 N 8.09 3.15 0.00 3.92 2.01 -1.26 -4.69 115.64 126.87 2bn8 s THR 86 Ca 0.66 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.81 2bn8 s THR 86 Cb -0.14 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.12 2bn8 s THR 86 CO 0.24 -0.19 0.00 1.21 -0.69 0.00 0.00 174.62 175.19