#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvt s PRO 2 N 0.00 2.63 -0.01 0.03 0.02 -1.26 -4.97 135.00 131.45 2kvt s PRO 2 Ca 0.00 1.74 -0.28 0.00 0.02 0.00 0.00 61.00 62.49 2kvt s PRO 2 Cb 0.00 -4.48 -0.03 0.00 0.02 0.00 0.00 34.50 30.01 2kvt s PRO 2 CO 0.00 -2.67 0.89 0.99 -0.33 0.00 0.00 177.00 175.88 2kvt s THR 3 N 10.19 4.90 -0.43 0.99 2.01 -1.26 -5.04 115.64 127.00 2kvt s THR 3 Ca 1.00 1.87 -0.20 0.00 0.31 0.00 0.00 61.69 64.66 2kvt s THR 3 Cb -0.26 -4.23 0.02 0.00 0.01 0.00 0.00 72.50 68.05 2kvt s THR 3 CO 0.31 0.20 0.61 -0.54 -0.69 0.00 0.00 174.62 174.51 2kvt s LYS 4 N 0.86 3.26 0.16 4.92 3.01 -1.26 -5.06 119.74 125.62 2kvt s LYS 4 Ca 0.47 -0.42 -0.11 0.00 -1.01 0.00 0.00 55.97 54.89 2kvt s LYS 4 Cb -0.20 -3.95 -0.07 0.00 -1.01 0.00 0.00 37.83 32.60 2kvt s LYS 4 CO 0.25 -0.98 0.51 -1.25 0.51 0.00 0.00 175.35 174.38 2kvt s PRO 5 N 2.72 3.86 -0.76 -1.68 0.04 -1.26 -4.99 135.00 132.92 2kvt s PRO 5 Ca 0.21 0.32 -0.24 0.00 0.04 0.00 0.00 61.00 61.33 2kvt s PRO 5 Cb -0.15 -2.85 -0.16 0.00 0.04 0.00 0.00 34.50 31.38 2kvt s PRO 5 CO 0.18 0.45 2.41 -2.30 0.04 0.00 0.00 177.00 177.77 2kvt n PRO 6 N 0.50 0.54 -3.10 0.56 -0.02 -1.26 -4.79 135.00 127.43 2kvt n PRO 6 Ca -0.04 -0.38 -0.19 0.00 -2.02 0.00 0.00 63.50 60.87 2kvt n PRO 6 Cb 0.52 -2.95 -0.05 0.00 -0.02 0.00 0.00 33.50 31.00 2kvt n PRO 6 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 2kvt n TYR 7 N 14.91 -1.71 -2.24 6.00 9.36 -1.26 -5.11 117.16 137.11 2kvt n TYR 7 Ca 0.50 -2.76 -0.42 0.00 3.32 0.00 0.00 57.90 58.53 2kvt n TYR 7 Cb 0.37 0.52 -0.03 0.00 -0.63 0.00 0.00 39.34 39.58 2kvt n TYR 7 CO 0.00 0.00 0.00 -2.14 0.22 0.00 0.00 176.86 174.94 2kvt s PRO 8 N -0.07 3.33 -1.19 2.98 0.02 -1.26 -4.94 135.00 133.87 2kvt s PRO 8 Ca 0.33 0.88 -0.20 0.00 0.02 0.00 0.00 61.00 62.03 2kvt s PRO 8 Cb 0.11 -4.14 0.06 0.00 0.02 0.00 0.00 34.50 30.54 2kvt s PRO 8 CO -0.15 -1.88 1.65 1.03 -0.33 0.00 0.00 177.00 177.32 2kvt s ARG 9 N 5.52 3.77 -0.19 5.54 0.52 -1.26 -4.80 118.95 128.05 2kvt s ARG 9 Ca 0.64 -1.63 -0.22 0.00 -0.52 0.00 0.00 55.73 54.00 2kvt s ARG 9 Cb -0.15 -5.46 -0.02 0.00 0.52 0.00 0.00 34.95 29.84 2kvt s ARG 9 CO 0.29 -2.32 0.66 -1.21 0.02 0.00 0.00 175.30 172.75 2kvt s GLU 10 N 4.62 4.23 0.02 3.54 2.02 -1.26 -4.63 118.70 127.25 2kvt s GLU 10 Ca 0.52 0.69 0.02 0.00 0.02 0.00 0.00 54.97 56.21 2kvt s GLU 10 Cb 0.02 -3.57 -0.04 0.00 0.10 0.00 0.00 34.13 30.64 2kvt s GLU 10 CO 0.02 -0.24 0.03 0.00 0.02 0.00 0.00 175.26 175.08 2kvt s ALA 11 N 1.92 3.40 0.03 5.21 0.00 -1.26 -0.38 121.76 130.68 2kvt s ALA 11 Ca 0.30 -0.96 -0.07 0.00 0.00 0.00 0.00 51.96 51.23 2kvt s ALA 11 Cb -0.16 -1.40 -0.00 0.00 0.00 0.00 0.00 23.12 21.56 2kvt s ALA 11 CO 0.11 0.68 0.14 1.52 0.00 0.00 0.00 175.76 178.21 2kvt s TYR 12 N -1.19 0.10 -0.10 0.00 1.13 0.44 -5.00 117.35 112.74 2kvt s TYR 12 Ca 0.23 -0.31 -0.13 0.00 -1.41 0.00 0.00 57.07 55.45 2kvt s TYR 12 Cb -0.12 -0.08 -0.05 0.00 -1.10 0.00 0.00 41.96 40.62 2kvt s TYR 12 CO 0.14 -0.36 0.29 0.42 -2.51 0.00 0.00 175.55 173.53 2kvt s ILE 13 N -2.20 5.27 -0.05 -3.49 1.01 -1.26 -0.75 121.20 119.73 2kvt s ILE 13 Ca -0.08 0.56 0.05 0.00 0.00 0.00 0.00 60.65 61.17 2kvt s ILE 13 Cb -0.03 -3.60 -0.00 0.00 0.01 0.00 0.00 42.46 38.83 2kvt s ILE 13 CO -0.02 0.50 -0.20 -0.69 0.00 0.00 0.00 174.94 174.53 2kvt s VAL 14 N -0.32 1.65 -0.22 2.92 1.01 0.30 -4.97 120.40 120.77 2kvt s VAL 14 Ca 0.18 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 2kvt s VAL 14 Cb -0.14 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 2kvt s VAL 14 CO 0.07 0.47 0.31 0.42 0.00 0.00 0.00 175.10 176.37 2kvt s THR 15 N 0.04 5.26 0.36 3.92 -4.23 -1.26 -0.65 115.64 119.07 2kvt s THR 15 Ca -0.06 0.51 0.04 0.00 -1.18 0.00 0.00 61.69 61.01 2kvt s THR 15 Cb -0.13 -3.64 -0.06 0.00 1.34 0.00 0.00 72.50 70.00 2kvt s THR 15 CO 0.03 0.28 0.05 0.27 -0.54 0.00 0.00 174.62 174.71 2kvt s ILE 16 N 1.25 1.33 -0.04 2.99 -4.36 0.00 -5.00 121.20 117.38 2kvt s ILE 16 Ca 0.15 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.57 2kvt s ILE 16 Cb -0.14 -2.79 0.00 0.00 1.25 0.00 0.00 42.46 40.78 2kvt s ILE 16 CO 0.07 0.00 -0.14 -1.61 0.24 0.00 0.00 174.94 173.50 2kvt s GLU 17 N -3.84 1.47 0.23 0.37 2.02 -1.26 -0.87 118.70 116.82 2kvt s GLU 17 Ca 0.34 -0.48 0.10 0.00 0.02 0.00 0.00 54.97 54.95 2kvt s GLU 17 Cb 0.08 -1.30 -0.05 0.00 0.10 0.00 0.00 34.13 32.97 2kvt s GLU 17 CO 0.16 0.18 -0.19 0.15 0.02 0.00 0.00 175.26 175.58 2kvt s LYS 18 N 0.14 1.50 0.00 1.61 1.02 -0.45 -4.92 119.74 118.64 2kvt s LYS 18 Ca -0.04 -1.62 0.00 0.00 0.02 0.00 0.00 55.97 54.33 2kvt s LYS 18 Cb -0.11 -1.55 0.00 0.00 -0.52 0.00 0.00 37.83 35.65 2kvt s LYS 18 CO 0.02 0.30 0.00 0.41 -0.92 0.00 0.00 175.35 175.15 2kvt n GLY 19 N -0.24 1.01 3.92 -3.33 0.00 -1.26 -1.06 105.19 104.22 2kvt n GLY 19 Ca -0.08 -1.62 -0.27 0.00 0.00 0.00 0.00 46.02 44.05 2kvt n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kvt s LYS 20 N 0.00 3.56 0.14 1.61 1.02 -1.25 -4.99 119.74 119.83 2kvt s LYS 20 Ca 0.00 -0.20 -0.35 0.00 0.02 0.00 0.00 55.97 55.44 2kvt s LYS 20 Cb 0.00 -2.73 -0.15 0.00 -0.52 0.00 0.00 37.83 34.43 2kvt s LYS 20 CO 0.00 0.29 1.49 -0.35 -0.92 0.00 0.00 175.35 175.85 2kvt n PRO 21 N -0.95 1.81 0.00 -1.68 -0.04 -1.26 -3.08 135.00 129.80 2kvt n PRO 21 Ca -0.04 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 2kvt n PRO 21 Cb 0.54 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 2kvt n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kvt n GLY 22 N 3.05 1.58 2.87 0.55 0.00 -1.26 -4.74 105.19 107.24 2kvt n GLY 22 Ca 0.17 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2kvt n GLY 22 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kvt n GLN 23 N 0.00 2.97 -3.56 1.61 1.13 -1.18 -4.93 117.38 113.42 2kvt n GLN 23 Ca 0.00 -2.79 -0.22 0.00 -1.94 0.00 0.00 57.00 52.06 2kvt n GLN 23 Cb 0.00 -3.28 -0.02 0.00 0.11 0.00 0.00 30.24 27.05 2kvt n GLN 23 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2kvt s THR 24 N 3.08 2.45 -0.15 5.09 -4.23 -1.22 -3.74 115.64 116.91 2kvt s THR 24 Ca 0.47 -1.33 -0.02 0.00 -1.18 0.00 0.00 61.69 59.63 2kvt s THR 24 Cb 0.12 -2.78 -0.02 0.00 1.34 0.00 0.00 72.50 71.16 2kvt s THR 24 CO -0.06 0.00 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.26 2kvt s VAL 25 N -2.54 3.52 -0.34 2.29 1.01 -0.22 -4.91 120.40 119.20 2kvt s VAL 25 Ca 0.47 -0.49 -0.26 0.00 0.00 0.00 0.00 61.98 61.71 2kvt s VAL 25 Cb -0.03 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.83 2kvt s VAL 25 CO 0.28 0.49 0.92 -0.89 0.00 0.00 0.00 175.10 175.90 2kvt s THR 26 N 0.50 4.62 0.09 3.92 2.01 -1.26 -1.34 115.64 124.18 2kvt s THR 26 Ca -0.05 1.29 0.05 0.00 0.31 0.00 0.00 61.69 63.28 2kvt s THR 26 Cb -0.15 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.02 2kvt s THR 26 CO 0.03 -0.46 -0.01 0.26 -0.69 0.00 0.00 174.62 173.76 2kvt s TRP 27 N 3.38 2.97 -0.25 4.92 0.52 -0.05 -4.83 118.94 125.60 2kvt s TRP 27 Ca 0.38 -0.03 -0.03 0.00 0.02 0.00 0.00 56.10 56.43 2kvt s TRP 27 Cb -0.12 -1.53 0.02 0.00 -1.15 0.00 0.00 33.47 30.68 2kvt s TRP 27 CO 0.17 0.47 -0.02 0.71 0.02 0.00 0.00 176.95 178.30 2kvt s TYR 28 N -1.29 3.06 -0.17 -1.98 1.51 0.11 -0.82 117.35 117.77 2kvt s TYR 28 Ca 0.25 -1.30 -0.08 0.00 -1.01 0.00 0.00 57.07 54.93 2kvt s TYR 28 Cb -0.12 -2.11 -0.04 0.00 -0.11 0.00 0.00 41.96 39.58 2kvt s TYR 28 CO 0.18 -0.66 0.11 -0.65 -1.11 0.00 0.00 175.55 173.42 2kvt s GLN 29 N 1.40 3.88 -0.41 -0.62 -0.21 0.18 -1.40 119.66 122.47 2kvt s GLN 29 Ca 0.02 -0.23 -0.21 0.00 0.02 0.00 0.00 55.36 54.97 2kvt s GLN 29 Cb -0.16 -3.29 0.02 0.00 1.00 0.00 0.00 33.01 30.58 2kvt s GLN 29 CO -0.03 0.45 0.64 -1.17 -2.12 0.00 0.00 175.29 173.06 2kvt s LEU 30 N -0.10 4.43 0.09 2.90 2.96 -0.46 -0.54 118.68 127.98 2kvt s LEU 30 Ca 0.09 -0.21 0.08 0.00 -0.22 0.00 0.00 54.13 53.87 2kvt s LEU 30 Cb -0.12 -2.74 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 2kvt s LEU 30 CO 0.00 -0.72 -0.15 -0.13 -1.32 0.00 0.00 176.35 174.03 2kvt s ARG 31 N 2.78 1.97 0.28 1.98 0.52 0.07 -0.37 118.95 126.18 2kvt s ARG 31 Ca 0.23 -1.08 0.10 0.00 -0.52 0.00 0.00 55.73 54.46 2kvt s ARG 31 Cb -0.14 -2.20 -0.05 0.00 0.52 0.00 0.00 34.95 33.08 2kvt s ARG 31 CO 0.18 0.51 -0.04 0.00 0.02 0.00 0.00 175.30 175.96 2kvt s ALA 32 N -1.11 3.08 0.20 2.13 0.00 -0.79 -0.42 121.76 124.85 2kvt s ALA 32 Ca 0.18 -1.75 -0.03 0.00 0.00 0.00 0.00 51.96 50.36 2kvt s ALA 32 Cb -0.11 -0.60 0.13 0.00 0.00 0.00 0.00 23.12 22.54 2kvt s ALA 32 CO 0.10 0.24 1.51 0.22 0.00 0.00 0.00 175.76 177.83 2kvt h ASP 33 N 1.96 0.60 -4.85 0.00 3.58 -0.96 -3.34 116.42 113.40 2kvt h ASP 33 Ca -0.43 -0.32 -0.20 0.00 0.42 0.00 0.00 57.03 56.51 2kvt h ASP 33 Cb 1.25 -0.17 -0.17 0.00 1.72 0.00 0.00 39.33 41.97 2kvt h ASP 33 CO 0.61 1.02 -0.70 -1.00 -2.88 0.00 0.00 179.24 176.29 2kvt s HIS 34 N -3.99 0.68 0.12 0.28 3.76 -1.26 -3.20 115.29 111.68 2kvt s HIS 34 Ca -0.07 -0.84 -0.20 0.00 -0.15 0.00 0.00 55.06 53.80 2kvt s HIS 34 Cb 0.11 -0.43 -0.07 0.00 1.11 0.00 0.00 32.58 33.31 2kvt s HIS 34 CO 0.84 -0.21 1.76 -1.00 -0.85 0.00 0.00 174.74 175.28 2kvt h PRO 35 N 3.47 0.26 -6.55 8.40 0.13 -1.99 -3.48 132.00 132.25 2kvt h PRO 35 Ca -0.35 -0.02 -0.66 0.00 -0.87 0.00 0.00 66.00 64.10 2kvt h PRO 35 Cb 1.17 -0.06 -0.15 0.00 0.13 0.00 0.00 31.00 32.09 2kvt h PRO 35 CO 0.58 0.20 -0.74 0.15 -0.23 0.00 0.00 178.00 177.96 2kvt s LYS 36 N -6.08 2.13 0.55 0.86 1.02 -1.26 -5.03 119.74 111.93 2kvt s LYS 36 Ca -0.13 -1.03 0.31 0.00 0.02 0.00 0.00 55.97 55.14 2kvt s LYS 36 Cb 0.08 -2.31 1.55 0.00 -0.52 0.00 0.00 37.83 36.64 2kvt s LYS 36 CO 0.69 0.51 2.08 -1.00 -0.92 0.00 0.00 175.35 176.71 2kvt h PRO 37 N 3.57 0.00 0.00 -1.68 0.13 -1.67 -1.62 132.00 130.73 2kvt h PRO 37 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kvt h PRO 37 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kvt h PRO 37 CO 0.52 0.08 0.00 -3.47 -0.23 0.00 0.00 178.00 174.91 2kvt n ASP 38 N -3.40 0.00 -4.62 1.44 2.03 -1.26 -4.39 116.55 106.35 2kvt n ASP 38 Ca -0.01 0.41 -0.49 0.00 0.52 0.00 0.00 54.79 55.22 2kvt n ASP 38 Cb 0.24 -0.47 -0.05 0.00 -0.72 0.00 0.00 41.12 40.12 2kvt n ASP 38 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2kvt n SER 39 N -1.47 3.02 -4.58 1.67 3.41 -0.61 -4.91 113.62 110.16 2kvt n SER 39 Ca 0.06 0.77 -0.40 0.00 -0.26 0.00 0.00 58.87 59.05 2kvt n SER 39 Cb 0.26 -1.34 -0.09 0.00 -0.26 0.00 0.00 64.21 62.78 2kvt n SER 39 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2kvt s LEU 40 N 5.24 4.22 -0.11 1.04 2.96 -1.26 -1.88 118.68 128.89 2kvt s LEU 40 Ca 0.98 0.10 -0.18 0.00 -0.22 0.00 0.00 54.13 54.82 2kvt s LEU 40 Cb -0.73 -2.48 -0.15 0.00 0.50 0.00 0.00 46.19 43.33 2kvt s LEU 40 CO 0.51 -0.32 0.52 0.40 -1.32 0.00 0.00 176.35 176.14 2kvt h ILE 41 N 5.49 1.01 -2.11 6.68 1.08 -1.07 -3.50 117.51 125.10 2kvt h ILE 41 Ca -0.30 -1.67 0.16 0.00 -0.39 0.00 0.00 64.86 62.66 2kvt h ILE 41 Cb 1.14 1.87 -0.15 0.00 -3.07 0.00 0.00 36.82 36.62 2kvt h ILE 41 CO 0.70 0.33 0.57 -0.55 -0.69 0.00 0.00 178.15 178.51 2kvt s SER 42 N -5.86 -0.28 -0.05 1.72 0.15 -1.23 -4.99 113.70 103.17 2kvt s SER 42 Ca -0.11 -0.07 0.05 0.00 0.70 0.00 0.00 55.95 56.51 2kvt s SER 42 Cb -0.01 0.35 -0.02 0.00 -1.71 0.00 0.00 66.02 64.62 2kvt s SER 42 CO 0.41 -0.58 -0.19 -1.61 1.20 0.00 0.00 173.24 172.47 2kvt s GLU 43 N -2.99 2.49 -0.01 5.44 2.02 -1.26 -1.35 118.70 123.05 2kvt s GLU 43 Ca 0.07 -0.80 -0.05 0.00 0.02 0.00 0.00 54.97 54.22 2kvt s GLU 43 Cb -0.01 -2.27 -0.00 0.00 0.10 0.00 0.00 34.13 31.95 2kvt s GLU 43 CO -0.06 0.52 0.09 -1.01 0.02 0.00 0.00 175.26 174.82 2kvt s HIS 44 N -0.48 0.05 -1.56 1.61 3.76 -0.49 -5.01 115.29 113.16 2kvt s HIS 44 Ca 0.06 -0.10 0.27 0.00 -0.15 0.00 0.00 55.06 55.13 2kvt s HIS 44 Cb -0.12 -0.06 1.41 0.00 1.11 0.00 0.00 32.58 34.92 2kvt s HIS 44 CO 0.01 -0.20 1.92 -0.35 -0.85 0.00 0.00 174.74 175.27 2kvt n PRO 45 N 1.91 0.49 -4.51 8.40 -0.04 -1.26 -0.71 135.00 139.27 2kvt n PRO 45 Ca -0.20 0.03 -0.22 0.00 -0.04 0.00 0.00 63.50 63.06 2kvt n PRO 45 Cb 0.56 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 2kvt n PRO 45 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2kvt s THR 46 N -2.44 1.30 0.31 0.52 -4.23 -1.26 -4.77 115.64 105.08 2kvt s THR 46 Ca 0.29 -1.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.85 2kvt s THR 46 Cb 0.18 -1.15 0.10 0.00 1.34 0.00 0.00 72.50 72.97 2kvt s THR 46 CO 0.38 0.13 1.78 0.00 -0.54 0.00 0.00 174.62 176.38 2kvt h ALA 47 N 5.07 1.23 -0.05 3.99 0.00 -1.95 -3.03 119.26 124.52 2kvt h ALA 47 Ca -0.39 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.25 2kvt h ALA 47 Cb 1.17 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2kvt h ALA 47 CO 0.45 0.50 -0.15 0.37 0.00 0.00 0.00 179.25 180.42 2kvt h GLN 48 N 0.36 -0.22 -0.92 0.00 -0.00 -1.98 0.30 115.11 112.65 2kvt h GLN 48 Ca 0.06 0.02 0.04 0.00 -0.00 0.00 0.00 58.65 58.77 2kvt h GLN 48 Cb 0.57 0.05 -0.06 0.00 0.00 0.00 0.00 27.48 28.05 2kvt h GLN 48 CO 0.04 -0.15 0.59 0.93 0.00 0.00 0.00 178.83 180.24 2kvt h GLU 49 N -0.23 1.10 -0.78 1.69 5.08 -1.96 0.45 114.58 119.93 2kvt h GLU 49 Ca 0.07 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2kvt h GLU 49 Cb 0.32 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2kvt h GLU 49 CO -0.18 0.73 0.40 0.00 -1.00 0.00 0.00 179.01 178.96 2kvt h ALA 50 N 1.39 1.25 -0.31 3.43 0.00 -1.28 -1.29 119.26 122.46 2kvt h ALA 50 Ca 0.37 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2kvt h ALA 50 Cb 0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2kvt h ALA 50 CO -0.13 0.60 -0.16 0.52 0.00 0.00 0.00 179.25 180.07 2kvt h MET 51 N 1.09 0.65 -0.70 0.00 2.86 -0.21 -0.64 114.93 117.98 2kvt h MET 51 Ca 0.27 -0.29 0.09 0.00 -2.06 0.00 0.00 59.70 57.72 2kvt h MET 51 Cb 0.06 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.63 2kvt h MET 51 CO -0.04 0.88 0.35 0.22 1.06 0.00 0.00 176.91 179.37 2kvt h ASP 52 N 0.40 0.45 -0.30 1.22 3.58 -0.57 0.04 116.42 121.25 2kvt h ASP 52 Ca 0.07 0.06 -0.16 0.00 0.42 0.00 0.00 57.03 57.42 2kvt h ASP 52 Cb 0.69 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.72 2kvt h ASP 52 CO 0.05 0.26 -0.43 0.00 -2.88 0.00 0.00 179.24 176.24 2kvt h ALA 53 N 1.43 0.60 -0.19 -0.78 0.00 -1.19 -2.56 119.26 116.56 2kvt h ALA 53 Ca 0.35 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 54.83 2kvt h ALA 53 Cb 0.36 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2kvt h ALA 53 CO -0.27 0.68 -0.05 -0.22 0.00 0.00 0.00 179.25 179.39 2kvt h LYS 54 N 0.69 -0.01 -0.22 0.00 3.64 -0.20 0.01 116.57 120.48 2kvt h LYS 54 Ca 0.05 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2kvt h LYS 54 Cb 1.01 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 2kvt h LYS 54 CO 0.10 -0.01 0.13 0.87 -2.27 0.00 0.00 179.45 178.27 2kvt h LYS 55 N -0.01 0.30 0.00 1.90 1.57 -1.05 -1.00 116.57 118.29 2kvt h LYS 55 Ca 0.09 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2kvt h LYS 55 Cb 0.15 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 2kvt h LYS 55 CO -0.20 0.26 -0.15 -0.09 -0.57 0.00 0.00 179.45 178.70 2kvt h ARG 56 N 0.26 0.00 0.01 3.15 2.43 -1.22 -0.26 114.38 118.75 2kvt h ARG 56 Ca 0.08 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2kvt h ARG 56 Cb 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2kvt h ARG 56 CO -0.01 0.15 -0.00 -0.92 -1.51 0.00 0.00 179.97 177.67 2kvt h TYR 57 N 0.00 -0.01 -0.13 2.20 3.20 -0.66 -3.26 116.97 118.30 2kvt h TYR 57 Ca -0.00 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 2kvt h TYR 57 Cb 0.40 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 2kvt h TYR 57 CO 0.00 0.79 -0.31 0.93 -1.64 0.00 0.00 178.16 177.93 2kvt h GLU 58 N -0.96 0.25 -4.92 1.82 5.08 -1.02 -3.37 114.58 111.46 2kvt h GLU 58 Ca -0.00 -0.10 -0.69 0.00 -1.00 0.00 0.00 59.36 57.57 2kvt h GLU 58 Cb 0.81 -0.01 -0.18 0.00 0.50 0.00 0.00 28.75 29.86 2kvt h GLU 58 CO 0.00 0.55 -0.13 -0.51 -1.00 0.00 0.00 179.01 177.92 2kvt s ASP 59 N -6.87 6.21 -0.86 1.42 1.01 -0.12 -5.01 116.67 112.45 2kvt s ASP 59 Ca -0.05 -0.71 -0.27 0.00 0.71 0.00 0.00 52.55 52.22 2kvt s ASP 59 Cb 0.14 -2.25 -0.19 0.00 1.01 0.00 0.00 42.92 41.63 2kvt s ASP 59 CO 0.76 -0.67 2.56 -2.65 0.21 0.00 0.00 175.17 175.38 2kvt n PRO 60 N 5.76 0.29 0.06 8.23 -0.02 -1.26 -4.47 135.00 143.59 2kvt n PRO 60 Ca -0.07 -0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 2kvt n PRO 60 Cb 0.47 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 2kvt n PRO 60 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2kvt n ASP 61 N 11.79 -0.42 -3.13 2.55 -0.08 -1.24 -5.10 116.55 120.92 2kvt n ASP 61 Ca 0.58 0.20 0.03 0.00 -1.51 0.00 0.00 54.79 54.09 2kvt n ASP 61 Cb 0.19 0.54 -0.00 0.00 2.34 0.00 0.00 41.12 44.19 2kvt n ASP 61 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2kvt s LYS 62 N -2.00 0.51 0.51 -0.67 2.47 -1.23 -5.13 119.74 114.20 2kvt s LYS 62 Ca 0.00 0.23 0.01 0.00 -1.56 0.00 0.00 55.97 54.65 2kvt s LYS 62 Cb 0.00 0.16 0.01 0.00 -1.46 0.00 0.00 37.83 36.54 2kvt s LYS 62 CO 0.00 -0.87 0.10 0.39 0.16 0.00 0.00 175.35 175.13 2kvt n GLU 63 N 4.98 0.77 -3.97 4.03 1.02 -1.26 -4.56 120.64 121.65 2kvt n GLU 63 Ca 0.07 -3.57 -0.31 0.00 -0.02 0.00 0.00 57.16 53.34 2kvt n GLU 63 Cb 0.56 0.82 -0.15 0.00 -0.02 0.00 0.00 31.44 32.65 2kvt n GLU 63 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kvt s LEU 64 N 0.00 2.75 0.00 -4.62 1.02 -1.26 -5.12 118.68 111.44 2kvt s LEU 64 Ca 0.07 -1.22 0.01 0.00 0.02 0.00 0.00 54.13 53.02 2kvt s LEU 64 Cb -0.01 -1.26 0.01 0.00 0.02 0.00 0.00 46.19 44.96 2kvt s LEU 64 CO 0.05 -0.22 0.10 -1.84 0.02 0.00 0.00 176.35 174.45 2kvt n GLU 65 N 4.62 1.17 -2.91 1.70 0.28 -1.26 -5.00 120.64 119.24 2kvt n GLU 65 Ca -0.12 -2.11 0.02 0.00 -0.16 0.00 0.00 57.16 54.79 2kvt n GLU 65 Cb 0.44 0.43 0.00 0.00 1.43 0.00 0.00 31.44 33.73 2kvt n GLU 65 CO 0.00 0.00 0.00 -3.38 -0.16 0.00 0.00 177.13 173.59 2kvt s HIS 66 N -1.87 -0.67 -1.23 -1.84 -3.43 -1.26 -5.08 115.29 99.91 2kvt s HIS 66 Ca 0.08 0.15 -0.17 0.00 -0.80 0.00 0.00 55.06 54.32 2kvt s HIS 66 Cb -0.01 0.12 -0.02 0.00 -1.43 0.00 0.00 32.58 31.24 2kvt s HIS 66 CO 0.05 -0.44 2.11 -2.39 -2.00 0.00 0.00 174.74 172.06 2kvt n HIS 67 N 4.08 3.04 -3.57 0.38 1.44 -1.26 -4.78 115.22 114.55 2kvt n HIS 67 Ca 0.07 -2.58 -0.18 0.00 -2.01 0.00 0.00 57.72 53.02 2kvt n HIS 67 Cb 0.61 -2.29 -0.14 0.00 0.12 0.00 0.00 29.99 28.29 2kvt n HIS 67 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2kvt s HIS 68 N 3.96 -0.22 0.50 -1.40 3.76 -1.26 -5.16 115.29 115.47 2kvt s HIS 68 Ca 0.51 0.35 -0.20 0.00 -0.15 0.00 0.00 55.06 55.57 2kvt s HIS 68 Cb 0.13 -0.33 -0.08 0.00 1.11 0.00 0.00 32.58 33.41 2kvt s HIS 68 CO -0.01 -0.48 1.05 -1.01 -0.85 0.00 0.00 174.74 173.43 2kvt s HIS 69 N 2.31 2.96 0.03 1.40 3.76 -1.26 -5.07 115.29 119.41 2kvt s HIS 69 Ca 0.05 1.57 0.02 0.00 -0.15 0.00 0.00 55.06 56.55 2kvt s HIS 69 Cb -0.14 -3.09 -0.02 0.00 1.11 0.00 0.00 32.58 30.44 2kvt s HIS 69 CO -0.10 -0.93 -0.07 -1.01 -0.85 0.00 0.00 174.74 171.78 2kvt s HIS 70 N -1.99 0.62 0.00 1.40 3.76 -1.26 -5.30 115.29 112.52 2kvt s HIS 70 Ca 0.68 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 55.21 2kvt s HIS 70 Cb -0.17 -0.38 0.00 0.00 1.11 0.00 0.00 32.58 33.14 2kvt s HIS 70 CO 0.22 -0.06 0.00 1.58 -0.85 0.00 0.00 174.74 175.63