#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qnn s GLN 2 N 0.00 3.02 -0.19 0.54 0.74 -1.26 -5.10 119.66 117.40 2qnn s GLN 2 Ca 0.00 -0.87 -0.04 0.00 0.05 0.00 0.00 55.36 54.50 2qnn s GLN 2 Cb 0.00 -3.08 -0.02 0.00 1.10 0.00 0.00 33.01 31.01 2qnn s GLN 2 CO 0.00 -0.36 -0.02 0.42 -0.55 0.00 0.00 175.29 174.77 2qnn s ILE 3 N 1.40 3.80 0.61 -2.34 1.01 -1.26 -5.09 121.20 119.33 2qnn s ILE 3 Ca 0.02 -0.37 -0.16 0.00 0.00 0.00 0.00 60.65 60.14 2qnn s ILE 3 Cb -0.16 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 2qnn s ILE 3 CO -0.03 0.44 1.08 0.28 0.00 0.00 0.00 174.94 176.72 2qnn s THR 4 N 0.92 3.51 -0.50 2.92 -1.32 -1.26 -4.99 115.64 114.93 2qnn s THR 4 Ca 0.00 0.75 0.14 0.00 -1.21 0.00 0.00 61.69 61.37 2qnn s THR 4 Cb -0.14 -3.27 0.42 0.00 -1.51 0.00 0.00 72.50 68.00 2qnn s THR 4 CO 0.01 -0.39 1.34 0.18 -2.21 0.00 0.00 174.62 173.55 2qnn n LEU 5 N -2.03 3.43 0.00 9.08 4.77 -1.26 -4.51 117.00 126.48 2qnn n LEU 5 Ca 0.10 -2.56 0.05 0.00 -0.03 0.00 0.00 56.01 53.58 2qnn n LEU 5 Cb 0.52 -0.40 0.45 0.00 -2.33 0.00 0.00 43.42 41.66 2qnn n LEU 5 CO 0.46 0.70 1.16 -0.50 -1.33 0.00 0.00 177.39 177.88 2qnn h TRP 6 N 1.86 0.47 -2.04 -1.77 4.06 -2.05 -3.43 115.95 113.06 2qnn h TRP 6 Ca 0.00 0.01 -0.60 0.00 2.06 0.00 0.00 58.89 60.36 2qnn h TRP 6 Cb 1.11 -0.16 -0.14 0.00 -1.00 0.00 0.00 29.16 28.98 2qnn h TRP 6 CO 0.37 0.29 -0.67 -0.65 -3.56 0.00 0.00 178.44 174.22 2qnn s GLN 7 N -5.46 1.79 0.30 0.49 1.11 -1.26 -5.10 119.66 111.54 2qnn s GLN 7 Ca -0.08 -1.94 -0.30 0.00 0.01 0.00 0.00 55.36 53.05 2qnn s GLN 7 Cb 0.18 -1.58 -0.12 0.00 -1.01 0.00 0.00 33.01 30.47 2qnn s GLN 7 CO 0.73 0.09 1.50 0.54 0.01 0.00 0.00 175.29 178.16 2qnn n ARG 8 N -0.78 2.48 -2.58 2.91 1.74 -1.26 -4.84 116.66 114.33 2qnn n ARG 8 Ca -0.05 0.88 -0.43 0.00 -0.77 0.00 0.00 57.85 57.48 2qnn n ARG 8 Cb 0.64 -2.60 -0.00 0.00 -1.02 0.00 0.00 32.46 29.48 2qnn n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2qnn s PRO 9 N -0.93 3.98 -0.11 5.56 0.04 -1.26 -4.94 135.00 137.33 2qnn s PRO 9 Ca 0.62 -1.98 -0.13 0.00 0.04 0.00 0.00 61.00 59.54 2qnn s PRO 9 Cb -0.53 -5.54 -0.05 0.00 0.04 0.00 0.00 34.50 28.42 2qnn s PRO 9 CO 0.53 -2.27 0.31 -0.51 0.04 0.00 0.00 177.00 175.10 2qnn s LEU 10 N 4.27 4.32 0.16 -3.56 1.43 -1.26 -0.96 118.68 123.09 2qnn s LEU 10 Ca 0.54 0.63 0.01 0.00 -1.03 0.00 0.00 54.13 54.28 2qnn s LEU 10 Cb 0.04 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 2qnn s LEU 10 CO 0.08 0.19 0.02 0.68 0.23 0.00 0.00 176.35 177.56 2qnn s VAL 11 N -0.12 0.46 -0.06 -1.59 -7.23 -0.06 -4.94 120.40 106.86 2qnn s VAL 11 Ca 0.19 -1.95 -0.17 0.00 -1.81 0.00 0.00 61.98 58.23 2qnn s VAL 11 Cb -0.14 -2.10 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 2qnn s VAL 11 CO 0.07 -0.46 0.46 -0.89 -0.31 0.00 0.00 175.10 173.97 2qnn s THR 12 N -3.80 5.09 0.24 5.32 2.01 -1.26 -0.56 115.64 122.68 2qnn s THR 12 Ca 0.24 0.95 0.08 0.00 0.31 0.00 0.00 61.69 63.27 2qnn s THR 12 Cb 0.07 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 2qnn s THR 12 CO 0.03 0.43 -0.14 0.27 -0.69 0.00 0.00 174.62 174.53 2qnn s ILE 13 N -0.10 1.90 -0.10 1.82 -4.36 0.50 -3.20 121.20 117.66 2qnn s ILE 13 Ca 0.25 -2.24 0.02 0.00 -0.26 0.00 0.00 60.65 58.42 2qnn s ILE 13 Cb -0.16 -2.21 0.02 0.00 1.25 0.00 0.00 42.46 41.36 2qnn s ILE 13 CO 0.12 -0.48 -0.13 -0.75 0.24 0.00 0.00 174.94 173.94 2qnn s LYS 14 N -3.63 1.98 -0.14 0.37 2.20 -0.22 -0.74 119.74 119.55 2qnn s LYS 14 Ca 0.26 -0.48 -0.09 0.00 -0.36 0.00 0.00 55.97 55.30 2qnn s LYS 14 Cb -0.01 -1.71 0.04 0.00 -1.51 0.00 0.00 37.83 34.65 2qnn s LYS 14 CO 0.10 -0.07 0.34 -1.50 -0.36 0.00 0.00 175.35 173.86 2qnn s ILE 15 N 1.00 -0.02 -1.25 5.43 2.07 -0.77 -1.12 121.20 126.53 2qnn s ILE 15 Ca -0.07 0.07 -0.04 0.00 -1.41 0.00 0.00 60.65 59.19 2qnn s ILE 15 Cb -0.15 -0.50 0.03 0.00 0.13 0.00 0.00 42.46 41.97 2qnn s ILE 15 CO -0.01 0.03 0.26 0.61 -1.91 0.00 0.00 174.94 173.92 2qnn n GLY 16 N 3.66 -0.50 2.45 1.50 0.00 -1.26 -0.27 105.19 110.77 2qnn n GLY 16 Ca -0.19 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2qnn n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qnn n GLY 17 N -1.06 0.52 3.49 -0.02 0.00 -1.26 -5.02 105.19 101.86 2qnn n GLY 17 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 2qnn n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qnn s GLN 18 N -0.31 3.11 0.02 1.61 -0.21 0.63 -5.10 119.66 119.41 2qnn s GLN 18 Ca 0.00 -0.59 -0.24 0.00 0.02 0.00 0.00 55.36 54.55 2qnn s GLN 18 Cb 0.00 -2.66 -0.05 0.00 1.00 0.00 0.00 33.01 31.30 2qnn s GLN 18 CO 0.00 0.44 0.72 -0.51 -2.12 0.00 0.00 175.29 173.82 2qnn s LEU 19 N -0.22 4.43 0.07 2.90 1.43 -1.26 -1.85 118.68 124.18 2qnn s LEU 19 Ca 0.02 1.36 0.01 0.00 -1.03 0.00 0.00 54.13 54.49 2qnn s LEU 19 Cb -0.13 -3.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 2qnn s LEU 19 CO 0.03 0.02 -0.06 -0.54 0.23 0.00 0.00 176.35 176.03 2qnn s LYS 20 N -0.00 0.66 -0.07 1.70 1.02 0.08 -4.98 119.74 118.14 2qnn s LYS 20 Ca 0.37 -1.10 -0.15 0.00 0.02 0.00 0.00 55.97 55.10 2qnn s LYS 20 Cb -0.20 -0.11 -0.05 0.00 -0.52 0.00 0.00 37.83 36.96 2qnn s LYS 20 CO 0.21 -0.02 0.40 -2.00 -0.92 0.00 0.00 175.35 173.01 2qnn s GLU 21 N -3.08 4.09 0.01 1.68 2.12 -1.26 -0.37 118.70 121.90 2qnn s GLU 21 Ca 0.03 0.35 -0.12 0.00 0.36 0.00 0.00 54.97 55.58 2qnn s GLU 21 Cb 0.01 -3.32 0.01 0.00 0.26 0.00 0.00 34.13 31.09 2qnn s GLU 21 CO -0.04 0.45 0.25 0.00 -0.54 0.00 0.00 175.26 175.38 2qnn s ALA 22 N -0.29 -0.58 -0.17 6.30 0.00 0.28 -4.41 121.76 122.89 2qnn s ALA 22 Ca 0.23 0.02 -0.18 0.00 0.00 0.00 0.00 51.96 52.03 2qnn s ALA 22 Cb -0.15 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2qnn s ALA 22 CO 0.10 -0.31 0.49 -1.17 0.00 0.00 0.00 175.76 174.88 2qnn s LEU 23 N -1.69 4.20 -0.46 0.00 2.96 0.47 -0.88 118.68 123.28 2qnn s LEU 23 Ca -0.10 0.71 -0.29 0.00 -0.22 0.00 0.00 54.13 54.23 2qnn s LEU 23 Cb -0.04 -2.69 0.03 0.00 0.50 0.00 0.00 46.19 43.99 2qnn s LEU 23 CO 0.00 -0.10 1.17 -0.76 -1.32 0.00 0.00 176.35 175.34 2qnn s LEU 24 N 1.23 3.65 -0.32 -0.68 1.43 -0.13 -1.02 118.68 122.83 2qnn s LEU 24 Ca 0.24 0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.91 2qnn s LEU 24 Cb -0.15 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.62 2qnn s LEU 24 CO 0.10 -1.25 0.06 -0.62 0.23 0.00 0.00 176.35 174.86 2qnn s ASP 25 N 2.60 4.38 0.20 2.29 -1.08 -0.23 -4.78 116.67 120.05 2qnn s ASP 25 Ca 0.50 -1.85 0.24 0.00 -0.52 0.00 0.00 52.55 50.91 2qnn s ASP 25 Cb -0.08 -1.28 0.91 0.00 -1.46 0.00 0.00 42.92 41.01 2qnn s ASP 25 CO 0.31 -0.38 1.71 0.35 0.52 0.00 0.00 175.17 177.68 2qnn n THR 26 N 4.53 0.74 0.91 1.71 -2.24 -1.26 -2.42 114.28 116.25 2qnn n THR 26 Ca 0.00 0.09 0.13 0.00 -2.27 0.00 0.00 64.05 61.99 2qnn n THR 26 Cb 0.42 -0.96 0.35 0.00 -2.10 0.00 0.00 70.33 68.05 2qnn n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qnn n GLY 27 N 0.42 -1.38 3.64 3.38 0.00 -1.26 -4.81 105.19 105.19 2qnn n GLY 27 Ca 0.03 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 2qnn n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qnn s ALA 28 N -3.03 3.57 0.16 4.61 0.00 -1.02 -4.98 121.76 121.08 2qnn s ALA 28 Ca 0.11 -0.40 -0.13 0.00 0.00 0.00 0.00 51.96 51.55 2qnn s ALA 28 Cb 0.17 -2.95 0.06 0.00 0.00 0.00 0.00 23.12 20.40 2qnn s ALA 28 CO 0.65 -0.64 1.71 -0.44 0.00 0.00 0.00 175.76 177.03 2qnn h ASP 29 N 7.69 0.79 -3.35 0.00 3.32 -1.87 0.74 116.42 123.73 2qnn h ASP 29 Ca -0.30 -0.18 -0.52 0.00 0.02 0.00 0.00 57.03 56.05 2qnn h ASP 29 Cb 1.14 -0.20 -0.17 0.00 0.22 0.00 0.00 39.33 40.32 2qnn h ASP 29 CO 0.76 0.76 -0.77 -1.81 -1.72 0.00 0.00 179.24 176.46 2qnn s ASP 30 N -6.09 2.77 0.20 6.45 1.01 -1.26 -1.90 116.67 117.85 2qnn s ASP 30 Ca -0.13 -0.91 -0.30 0.00 0.71 0.00 0.00 52.55 51.92 2qnn s ASP 30 Cb 0.12 -0.17 -0.09 0.00 1.01 0.00 0.00 42.92 43.79 2qnn s ASP 30 CO 0.79 -0.05 1.38 -0.89 0.21 0.00 0.00 175.17 176.61 2qnn s THR 31 N -2.27 3.01 -0.10 -1.27 2.01 -1.26 -4.18 115.64 111.58 2qnn s THR 31 Ca 0.19 0.81 -0.01 0.00 0.31 0.00 0.00 61.69 62.98 2qnn s THR 31 Cb -0.05 -3.52 0.03 0.00 0.01 0.00 0.00 72.50 68.98 2qnn s THR 31 CO 0.07 0.11 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.41 2qnn s VAL 32 N 0.28 0.59 0.15 3.82 1.01 -0.21 -0.82 120.40 125.22 2qnn s VAL 32 Ca 0.59 -0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.59 2qnn s VAL 32 Cb -0.39 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2qnn s VAL 32 CO 0.38 0.24 -0.14 -0.76 0.00 0.00 0.00 175.10 174.82 2qnn s LEU 33 N 1.88 2.82 1.00 3.92 1.43 0.43 -0.43 118.68 129.73 2qnn s LEU 33 Ca 0.04 -0.59 -0.12 0.00 -1.03 0.00 0.00 54.13 52.43 2qnn s LEU 33 Cb -0.13 -1.58 0.14 0.00 0.03 0.00 0.00 46.19 44.66 2qnn s LEU 33 CO -0.06 0.14 0.79 -1.84 0.23 0.00 0.00 176.35 175.61 2qnn n GLU 34 N 0.39 -0.92 -1.67 1.70 0.28 -1.26 -1.47 120.64 117.68 2qnn n GLU 34 Ca -0.13 -0.22 -0.45 0.00 -0.16 0.00 0.00 57.16 56.20 2qnn n GLU 34 Cb 0.54 -2.12 -0.04 0.00 1.43 0.00 0.00 31.44 31.25 2qnn n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2qnn n GLU 35 N -3.45 2.17 -3.55 3.44 -0.58 -1.22 -4.52 120.64 112.92 2qnn n GLU 35 Ca 0.08 0.78 -0.09 0.00 -0.42 0.00 0.00 57.16 57.51 2qnn n GLU 35 Cb 0.54 -2.53 -0.02 0.00 -0.57 0.00 0.00 31.44 28.86 2qnn n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qnn s MET 36 N 0.59 1.13 0.01 3.49 0.23 -1.26 -5.03 119.30 118.45 2qnn s MET 36 Ca 0.76 -0.48 -0.22 0.00 -1.03 0.00 0.00 55.69 54.71 2qnn s MET 36 Cb -0.66 0.48 -0.05 0.00 -1.53 0.00 0.00 34.83 33.06 2qnn s MET 36 CO 0.40 -0.50 0.66 0.45 -2.03 0.00 0.00 175.02 174.00 2qnn s SER 37 N -2.69 7.06 0.08 -1.18 0.15 -1.26 -5.02 113.70 110.84 2qnn s SER 37 Ca 0.05 1.26 0.03 0.00 0.70 0.00 0.00 55.95 58.00 2qnn s SER 37 Cb -0.02 -2.40 -0.03 0.00 -1.71 0.00 0.00 66.02 61.86 2qnn s SER 37 CO -0.07 0.06 -0.10 -0.76 1.20 0.00 0.00 173.24 173.57 2qnn s LEU 38 N -0.11 2.35 0.48 3.45 1.43 -1.26 -4.95 118.68 120.07 2qnn s LEU 38 Ca 0.34 -0.72 -0.15 0.00 -1.03 0.00 0.00 54.13 52.57 2qnn s LEU 38 Cb -0.19 -0.29 -0.08 0.00 0.03 0.00 0.00 46.19 45.66 2qnn s LEU 38 CO 0.19 -0.23 0.92 -2.16 0.23 0.00 0.00 176.35 175.30 2qnn s PRO 39 N -2.35 3.91 0.01 1.29 0.04 -1.26 -4.96 135.00 131.67 2qnn s PRO 39 Ca 0.01 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.86 2qnn s PRO 39 Cb -0.05 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2qnn s PRO 39 CO 0.00 -0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.27 2qnn n GLY 40 N -1.44 -3.75 3.82 0.56 0.00 -1.26 -4.96 105.19 98.17 2qnn n GLY 40 Ca 0.05 -2.08 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 2qnn n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qnn s ARG 41 N -0.78 3.63 0.15 1.61 1.04 -1.26 -5.08 118.95 118.26 2qnn s ARG 41 Ca 0.00 1.08 -0.05 0.00 -1.04 0.00 0.00 55.73 55.72 2qnn s ARG 41 Cb 0.00 -2.08 -0.03 0.00 -2.04 0.00 0.00 34.95 30.80 2qnn s ARG 41 CO 0.00 -0.55 0.17 1.67 -0.04 0.00 0.00 175.30 176.55 2qnn s TRP 42 N -2.54 0.69 0.02 5.89 1.48 -1.26 -4.45 118.94 118.77 2qnn s TRP 42 Ca 0.61 -1.04 0.01 0.00 -1.06 0.00 0.00 56.10 54.61 2qnn s TRP 42 Cb -0.13 -0.30 -0.02 0.00 -1.16 0.00 0.00 33.47 31.86 2qnn s TRP 42 CO 0.34 -0.62 -0.04 -1.59 -4.06 0.00 0.00 176.95 170.98 2qnn s LYS 43 N -4.02 0.34 0.54 3.25 -2.85 -0.80 -4.92 119.74 111.28 2qnn s LYS 43 Ca 0.22 -0.59 -0.18 0.00 -1.00 0.00 0.00 55.97 54.43 2qnn s LYS 43 Cb 0.06 -0.01 -0.06 0.00 -2.06 0.00 0.00 37.83 35.76 2qnn s LYS 43 CO 0.02 -0.02 1.05 -1.25 0.10 0.00 0.00 175.35 175.26 2qnn s PRO 44 N -1.35 3.53 0.05 1.78 0.04 -1.26 -0.55 135.00 137.24 2qnn s PRO 44 Ca -0.13 1.31 -0.12 0.00 0.04 0.00 0.00 61.00 62.10 2qnn s PRO 44 Cb -0.09 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.41 2qnn s PRO 44 CO -0.01 -0.65 0.27 0.21 0.04 0.00 0.00 177.00 176.86 2qnn s LYS 45 N -3.64 0.80 -0.09 4.56 2.20 -0.60 -4.87 119.74 118.11 2qnn s LYS 45 Ca 0.66 -0.62 0.01 0.00 -0.36 0.00 0.00 55.97 55.67 2qnn s LYS 45 Cb -0.17 0.34 -0.02 0.00 -1.51 0.00 0.00 37.83 36.47 2qnn s LYS 45 CO 0.29 -0.26 -0.12 -1.64 -0.36 0.00 0.00 175.35 173.26 2qnn s MET 46 N -2.83 2.96 0.13 4.03 -1.94 -1.26 -0.63 119.30 119.76 2qnn s MET 46 Ca -0.03 -0.65 0.08 0.00 -1.71 0.00 0.00 55.69 53.37 2qnn s MET 46 Cb 0.00 -2.55 -0.04 0.00 2.01 0.00 0.00 34.83 34.25 2qnn s MET 46 CO -0.05 0.46 -0.18 0.96 -0.01 0.00 0.00 175.02 176.20 2qnn s ILE 47 N -0.27 1.63 0.22 2.53 -4.36 -0.59 -4.98 121.20 115.38 2qnn s ILE 47 Ca 0.02 -1.74 -0.13 0.00 -0.26 0.00 0.00 60.65 58.55 2qnn s ILE 47 Cb -0.13 -1.65 0.00 0.00 1.25 0.00 0.00 42.46 41.93 2qnn s ILE 47 CO 0.03 -0.27 0.45 -0.83 0.24 0.00 0.00 174.94 174.56 2qnn s GLY 48 N -2.36 0.38 0.00 6.27 0.00 -1.26 -0.81 107.32 109.53 2qnn s GLY 48 Ca 0.11 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.10 2qnn s GLY 48 CO 0.05 -0.58 0.00 0.61 0.00 0.00 0.00 173.10 173.18 2qnn n GLY 49 N -0.34 0.96 3.68 0.20 0.00 -0.77 -4.98 105.19 103.94 2qnn n GLY 49 Ca -0.05 -0.38 -0.45 0.00 0.00 0.00 0.00 46.02 45.14 2qnn n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qnn n ILE 50 N 0.00 0.04 0.00 -0.61 5.41 -1.26 -1.13 119.36 121.81 2qnn n ILE 50 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.74 2qnn n ILE 50 Cb 0.00 -1.65 0.00 0.00 -0.71 0.00 0.00 39.64 37.28 2qnn n ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2qnn n GLY 51 N 3.58 0.81 0.00 7.39 0.00 -1.26 -4.94 105.19 110.77 2qnn n GLY 51 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2qnn n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qnn n GLY 52 N -2.00 -0.16 3.72 -0.02 0.00 -0.28 -5.06 105.19 101.38 2qnn n GLY 52 Ca 0.00 -2.22 -0.25 0.00 0.00 0.00 0.00 46.02 43.55 2qnn n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qnn s PHE 53 N 0.00 2.93 0.13 1.61 0.40 -1.26 -1.85 117.98 119.95 2qnn s PHE 53 Ca 0.00 -0.12 0.07 0.00 -0.60 0.00 0.00 56.93 56.29 2qnn s PHE 53 Cb 0.00 -1.39 -0.04 0.00 0.51 0.00 0.00 43.02 42.10 2qnn s PHE 53 CO 0.00 0.53 -0.17 0.96 0.70 0.00 0.00 175.22 177.25 2qnn s ILE 54 N -1.87 1.55 0.01 0.64 -4.36 0.01 -4.98 121.20 112.21 2qnn s ILE 54 Ca 0.30 -1.74 -0.19 0.00 -0.26 0.00 0.00 60.65 58.75 2qnn s ILE 54 Cb -0.09 -1.62 -0.06 0.00 1.25 0.00 0.00 42.46 41.94 2qnn s ILE 54 CO 0.21 -0.32 0.55 -0.75 0.24 0.00 0.00 174.94 174.87 2qnn s LYS 55 N -2.55 4.22 0.17 0.37 2.20 -1.26 -1.54 119.74 121.36 2qnn s LYS 55 Ca 0.10 0.67 0.03 0.00 -0.36 0.00 0.00 55.97 56.40 2qnn s LYS 55 Cb -0.06 -3.30 -0.05 0.00 -1.51 0.00 0.00 37.83 32.91 2qnn s LYS 55 CO 0.04 0.49 -0.02 0.14 -0.36 0.00 0.00 175.35 175.64 2qnn s VAL 56 N -0.57 0.83 -0.21 4.02 -7.23 0.20 -4.44 120.40 113.00 2qnn s VAL 56 Ca 0.29 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.37 2qnn s VAL 56 Cb -0.18 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 2qnn s VAL 56 CO 0.17 -0.52 0.10 -0.13 -0.31 0.00 0.00 175.10 174.41 2qnn s ARG 57 N -3.87 4.00 -0.34 4.82 0.52 0.02 -1.55 118.95 122.54 2qnn s ARG 57 Ca 0.23 -0.32 -0.16 0.00 -0.52 0.00 0.00 55.73 54.96 2qnn s ARG 57 Cb 0.05 -3.35 -0.01 0.00 0.52 0.00 0.00 34.95 32.17 2qnn s ARG 57 CO 0.04 0.17 0.40 -1.14 0.02 0.00 0.00 175.30 174.78 2qnn s GLN 58 N 0.69 3.57 -0.13 3.54 0.74 0.28 -0.96 119.66 127.39 2qnn s GLN 58 Ca 0.05 -0.37 -0.04 0.00 0.05 0.00 0.00 55.36 55.06 2qnn s GLN 58 Cb -0.13 -3.81 -0.03 0.00 1.10 0.00 0.00 33.01 30.14 2qnn s GLN 58 CO 0.02 -0.56 0.00 0.71 -0.55 0.00 0.00 175.29 174.91 2qnn s TYR 59 N 2.10 3.14 0.36 1.67 1.51 -0.29 -1.90 117.35 123.93 2qnn s TYR 59 Ca 0.13 0.01 0.08 0.00 -1.01 0.00 0.00 57.07 56.28 2qnn s TYR 59 Cb -0.16 -1.90 -0.03 0.00 -0.11 0.00 0.00 41.96 39.75 2qnn s TYR 59 CO 0.12 0.24 0.29 -0.51 -1.11 0.00 0.00 175.55 174.58 2qnn s ASP 60 N -0.22 5.13 -1.42 2.29 1.01 -1.26 -0.94 116.67 121.26 2qnn s ASP 60 Ca 0.05 -0.60 -0.02 0.00 0.71 0.00 0.00 52.55 52.69 2qnn s ASP 60 Cb -0.12 -0.84 0.02 0.00 1.01 0.00 0.00 42.92 42.98 2qnn s ASP 60 CO 0.02 -0.42 0.50 0.00 0.21 0.00 0.00 175.17 175.48 2qnn n GLN 61 N -1.38 -3.55 -3.64 8.23 6.02 -1.19 -4.89 117.38 116.98 2qnn n GLN 61 Ca -0.01 0.43 -0.37 0.00 -0.01 0.00 0.00 57.00 57.04 2qnn n GLN 61 Cb 0.60 -4.68 -0.06 0.00 1.02 0.00 0.00 30.24 27.13 2qnn n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2qnn s ILE 62 N -3.85 5.20 -0.12 5.09 -1.09 -0.41 -4.79 121.20 121.23 2qnn s ILE 62 Ca 0.08 0.59 -0.23 0.00 -2.23 0.00 0.00 60.65 58.86 2qnn s ILE 62 Cb -0.04 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.21 2qnn s ILE 62 CO 0.88 0.58 0.71 -0.22 -1.23 0.00 0.00 174.94 175.66 2qnn s LEU 63 N -1.12 4.24 -0.02 2.97 1.98 -1.26 -1.21 118.68 124.26 2qnn s LEU 63 Ca 0.21 1.10 0.03 0.00 -2.89 0.00 0.00 54.13 52.58 2qnn s LEU 63 Cb -0.15 -3.07 -0.00 0.00 0.66 0.00 0.00 46.19 43.63 2qnn s LEU 63 CO 0.10 -0.22 -0.11 -0.63 -1.89 0.00 0.00 176.35 173.61 2qnn s ILE 64 N 1.37 0.91 -0.22 6.68 1.01 -0.05 -4.54 121.20 126.36 2qnn s ILE 64 Ca 0.35 -0.45 -0.10 0.00 0.00 0.00 0.00 60.65 60.46 2qnn s ILE 64 Cb -0.17 -0.79 -0.05 0.00 0.01 0.00 0.00 42.46 41.46 2qnn s ILE 64 CO 0.15 0.27 0.13 -1.61 0.00 0.00 0.00 174.94 173.88 2qnn s GLU 65 N 0.05 4.08 -0.28 2.79 2.02 -0.28 -0.67 118.70 126.42 2qnn s GLU 65 Ca -0.01 -0.27 0.01 0.00 0.02 0.00 0.00 54.97 54.72 2qnn s GLU 65 Cb -0.08 -3.44 0.08 0.00 0.10 0.00 0.00 34.13 30.79 2qnn s GLU 65 CO 0.00 0.17 -0.01 0.42 0.02 0.00 0.00 175.26 175.87 2qnn s ILE 66 N 0.72 1.66 -1.48 -1.63 1.01 0.53 -1.06 121.20 120.95 2qnn s ILE 66 Ca 0.07 -1.58 -0.12 0.00 0.00 0.00 0.00 60.65 59.02 2qnn s ILE 66 Cb -0.12 -2.04 0.06 0.00 0.01 0.00 0.00 42.46 40.37 2qnn s ILE 66 CO 0.01 -0.32 1.04 0.00 0.00 0.00 0.00 174.94 175.67 2qnn n GLY 68 N -1.78 2.02 3.69 0.00 0.00 -1.26 -5.00 105.19 102.87 2qnn n GLY 68 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 2qnn n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qnn s HIS 69 N -3.09 3.42 0.10 1.61 4.02 0.41 -5.06 115.29 116.70 2qnn s HIS 69 Ca 0.00 0.68 -0.22 0.00 1.02 0.00 0.00 55.06 56.54 2qnn s HIS 69 Cb 0.00 -2.51 -0.07 0.00 -1.02 0.00 0.00 32.58 28.98 2qnn s HIS 69 CO 0.00 0.06 0.65 -1.59 1.02 0.00 0.00 174.74 174.88 2qnn s LYS 70 N 1.05 4.34 -0.06 1.40 0.00 -1.26 -0.35 119.74 124.87 2qnn s LYS 70 Ca 0.20 0.90 -0.07 0.00 0.00 0.00 0.00 55.97 57.00 2qnn s LYS 70 Cb -0.15 -3.25 0.02 0.00 0.00 0.00 0.00 37.83 34.45 2qnn s LYS 70 CO 0.08 0.60 0.19 0.00 0.00 0.00 0.00 175.35 176.21 2qnn s ALA 71 N -1.08 -0.46 -0.06 0.59 0.00 0.16 -4.87 121.76 116.04 2qnn s ALA 71 Ca 0.32 0.45 0.04 0.00 0.00 0.00 0.00 51.96 52.77 2qnn s ALA 71 Cb -0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 2qnn s ALA 71 CO 0.22 -0.11 -0.19 0.42 0.00 0.00 0.00 175.76 176.10 2qnn s ILE 72 N -0.11 2.63 -1.86 0.00 1.09 -1.26 -0.87 121.20 120.82 2qnn s ILE 72 Ca -0.02 -0.87 0.00 0.00 -1.10 0.00 0.00 60.65 58.66 2qnn s ILE 72 Cb -0.02 -2.01 0.00 0.00 -1.06 0.00 0.00 42.46 39.37 2qnn s ILE 72 CO 0.00 0.57 0.00 0.61 -0.10 0.00 0.00 174.94 176.03 2qnn n GLY 73 N 2.70 -1.39 3.76 6.18 0.00 -0.35 -4.91 105.19 111.18 2qnn n GLY 73 Ca -0.17 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.45 2qnn n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qnn s THR 74 N -2.80 3.35 -0.08 2.61 2.01 -1.26 -1.29 115.64 118.17 2qnn s THR 74 Ca 0.00 1.36 0.01 0.00 0.31 0.00 0.00 61.69 63.37 2qnn s THR 74 Cb 0.00 -3.86 0.02 0.00 0.01 0.00 0.00 72.50 68.67 2qnn s THR 74 CO 0.00 0.32 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.45 2qnn s VAL 75 N -1.17 1.13 -0.06 3.82 1.01 -0.11 -4.35 120.40 120.68 2qnn s VAL 75 Ca 0.46 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 2qnn s VAL 75 Cb -0.33 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 2qnn s VAL 75 CO 0.43 0.37 0.35 -0.76 0.00 0.00 0.00 175.10 175.49 2qnn s LEU 76 N 1.00 4.41 -0.09 3.92 1.43 -0.00 -1.14 118.68 128.20 2qnn s LEU 76 Ca -0.08 0.80 0.03 0.00 -1.03 0.00 0.00 54.13 53.85 2qnn s LEU 76 Cb -0.15 -2.48 0.01 0.00 0.03 0.00 0.00 46.19 43.60 2qnn s LEU 76 CO -0.00 0.27 -0.19 -0.69 0.23 0.00 0.00 176.35 175.97 2qnn s VAL 77 N -0.67 1.67 -1.10 -1.59 1.01 -0.14 -0.43 120.40 119.16 2qnn s VAL 77 Ca 0.21 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.41 2qnn s VAL 77 Cb -0.15 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.75 2qnn s VAL 77 CO 0.10 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2qnn n GLY 78 N 3.78 -1.10 2.34 4.51 0.00 -0.54 -0.80 105.19 113.38 2qnn n GLY 78 Ca -0.20 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.58 2qnn n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qnn n PRO 79 N 0.00 3.70 -2.96 1.61 -0.04 -1.26 -3.45 135.00 132.60 2qnn n PRO 79 Ca 0.00 -2.28 -0.38 0.00 -0.04 0.00 0.00 63.50 60.81 2qnn n PRO 79 Cb 0.00 -2.82 -0.06 0.00 -0.04 0.00 0.00 33.50 30.58 2qnn n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2qnn s THR 80 N 2.08 4.38 -0.52 0.52 -1.32 -1.26 -4.97 115.64 114.55 2qnn s THR 80 Ca 0.68 1.61 0.25 0.00 -1.21 0.00 0.00 61.69 63.02 2qnn s THR 80 Cb 0.18 -4.02 0.27 0.00 -1.51 0.00 0.00 72.50 67.41 2qnn s THR 80 CO -0.06 0.32 1.74 -0.81 -2.21 0.00 0.00 174.62 173.60 2qnn n PRO 81 N 1.03 0.23 -3.75 7.08 -0.04 -1.26 -4.69 135.00 133.59 2qnn n PRO 81 Ca -0.02 0.38 -0.13 0.00 -0.04 0.00 0.00 63.50 63.68 2qnn n PRO 81 Cb 0.50 -1.88 -0.10 0.00 -0.04 0.00 0.00 33.50 31.98 2qnn n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2qnn s VAL 82 N -3.28 0.02 0.09 0.52 1.01 -1.26 -5.11 120.40 112.40 2qnn s VAL 82 Ca 0.06 -0.19 -0.31 0.00 0.00 0.00 0.00 61.98 61.54 2qnn s VAL 82 Cb 0.10 -0.55 -0.07 0.00 0.00 0.00 0.00 36.38 35.86 2qnn s VAL 82 CO 0.46 -0.11 1.28 0.20 0.00 0.00 0.00 175.10 176.93 2qnn s ASN 83 N -0.45 6.97 -0.15 3.32 0.01 -1.26 -4.75 114.94 118.64 2qnn s ASN 83 Ca -0.06 2.16 0.02 0.00 -0.71 0.00 0.00 52.86 54.28 2qnn s ASN 83 Cb -0.04 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.05 2qnn s ASN 83 CO 0.02 -0.54 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.22 2qnn s ILE 84 N 1.00 2.05 -0.39 0.60 -1.09 0.42 -0.40 121.20 123.39 2qnn s ILE 84 Ca 0.61 -0.97 -0.18 0.00 -2.23 0.00 0.00 60.65 57.88 2qnn s ILE 84 Cb -0.33 -1.82 0.01 0.00 -1.58 0.00 0.00 42.46 38.74 2qnn s ILE 84 CO 0.30 0.55 0.52 -0.63 -1.23 0.00 0.00 174.94 174.45 2qnn s ILE 85 N 0.90 4.99 0.66 2.92 -1.09 -0.19 -1.04 121.20 128.36 2qnn s ILE 85 Ca -0.05 0.07 0.03 0.00 -2.23 0.00 0.00 60.65 58.47 2qnn s ILE 85 Cb -0.15 -4.04 0.11 0.00 -1.58 0.00 0.00 42.46 36.80 2qnn s ILE 85 CO -0.04 -0.37 0.92 -0.83 -1.23 0.00 0.00 174.94 173.39 2qnn s GLY 86 N 1.84 1.76 0.48 6.18 0.00 -1.26 -1.07 107.32 115.25 2qnn s GLY 86 Ca 0.17 -1.84 0.16 0.00 0.00 0.00 0.00 44.72 43.22 2qnn s GLY 86 CO 0.15 -1.32 2.06 3.21 0.00 0.00 0.00 173.10 177.19 2qnn h ARG 87 N -0.27 0.19 0.00 2.90 3.08 -0.74 -1.38 114.38 118.16 2qnn h ARG 87 Ca -0.35 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 2qnn h ARG 87 Cb 1.27 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.28 2qnn h ARG 87 CO 0.41 0.12 -0.06 -2.95 -1.07 0.00 0.00 179.97 176.42 2qnn h ASN 88 N 0.19 0.00 0.00 7.04 -1.07 -1.63 -1.30 115.58 118.82 2qnn h ASN 88 Ca 0.15 0.00 -0.29 0.00 0.07 0.00 0.00 56.30 56.24 2qnn h ASN 88 Cb 0.37 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.56 2qnn h ASN 88 CO -0.03 0.06 -2.21 0.18 0.07 0.00 0.00 177.43 175.51 2qnn n LEU 89 N -4.30 0.00 -0.04 6.14 4.77 -0.74 -4.38 117.00 118.46 2qnn n LEU 89 Ca -0.03 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.00 2qnn n LEU 89 Cb 0.15 0.39 0.41 0.00 -2.33 0.00 0.00 43.42 42.03 2qnn n LEU 89 CO 0.33 0.39 1.18 -0.07 -1.33 0.00 0.00 177.39 177.89 2qnn h LEU 90 N 0.00 0.52 -1.23 2.23 3.38 -0.91 -1.81 115.31 117.49 2qnn h LEU 90 Ca -0.43 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 2qnn h LEU 90 Cb 1.97 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.57 2qnn h LEU 90 CO 0.02 0.37 0.08 0.71 0.09 0.00 0.00 178.44 179.71 2qnn h THR 91 N 0.61 1.19 0.00 0.22 1.35 -1.45 -1.60 112.91 113.23 2qnn h THR 91 Ca 0.18 -0.70 -0.05 0.00 -0.55 0.00 0.00 66.41 65.29 2qnn h THR 91 Cb -0.01 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 67.20 2qnn h THR 91 CO -0.04 0.25 -0.25 1.56 -0.25 0.00 0.00 175.52 176.79 2qnn h GLN 92 N 0.60 0.00 -0.38 4.72 1.08 -1.54 -1.79 115.11 117.80 2qnn h GLN 92 Ca 0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 2qnn h GLN 92 Cb 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 2qnn h GLN 92 CO -0.00 0.25 0.00 0.44 -0.95 0.00 0.00 178.83 178.57 2qnn n ILE 93 N -3.39 0.50 -1.92 2.54 -5.35 -1.11 -4.95 119.36 105.68 2qnn n ILE 93 Ca 0.00 -0.68 -0.05 0.00 -0.27 0.00 0.00 62.75 61.75 2qnn n ILE 93 Cb 0.45 0.78 -0.01 0.00 -1.74 0.00 0.00 39.64 39.13 2qnn n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qnn n GLY 94 N 1.43 0.28 3.71 3.28 0.00 -0.67 -5.01 105.19 108.21 2qnn n GLY 94 Ca 0.19 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 2qnn n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qnn s THR 96 N 0.92 1.57 -0.00 0.00 -4.23 -1.26 -4.70 115.64 107.93 2qnn s THR 96 Ca 0.56 -2.16 -0.19 0.00 -1.18 0.00 0.00 61.69 58.72 2qnn s THR 96 Cb -0.27 -1.98 -0.06 0.00 1.34 0.00 0.00 72.50 71.54 2qnn s THR 96 CO 0.29 -0.64 0.55 -0.76 -0.54 0.00 0.00 174.62 173.52 2qnn s LEU 97 N -3.25 4.43 -0.03 4.79 1.43 -1.26 -5.09 118.68 119.70 2qnn s LEU 97 Ca 0.20 1.11 0.00 0.00 -1.03 0.00 0.00 54.13 54.42 2qnn s LEU 97 Cb 0.00 -2.84 0.03 0.00 0.03 0.00 0.00 46.19 43.41 2qnn s LEU 97 CO 0.05 0.16 0.01 0.20 0.23 0.00 0.00 176.35 177.00 2qnn s ASN 98 N -0.43 0.35 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.73 2qnn s ASN 98 Ca 0.29 -0.00 0.00 0.00 -1.57 0.00 0.00 52.86 51.57 2qnn s ASN 98 Cb -0.18 -0.17 0.00 0.00 -0.02 0.00 0.00 41.25 40.88 2qnn s ASN 98 CO 0.16 -0.11 0.00 2.22 -2.57 0.00 0.00 177.10 176.80