#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 3.54 -0.10 0.03 0.02 -1.26 -4.88 135.00 132.35 2kvt s PRO 2 Ca 0.00 2.10 -0.06 0.00 0.02 0.00 0.00 61.00 63.06 2kvt s PRO 2 Cb 0.00 -4.25 -0.27 0.00 0.02 0.00 0.00 34.50 30.00 2kvt s PRO 2 CO 0.00 -1.63 0.44 1.79 -0.33 0.00 0.00 177.00 177.27 2kvt h THR 3 N 6.53 0.69 -5.17 0.99 1.35 -2.14 -3.50 112.91 111.66 2kvt h THR 3 Ca -0.42 -2.39 0.00 0.00 -0.55 0.00 0.00 66.41 63.05 2kvt h THR 3 Cb 1.22 2.55 -0.02 0.00 -1.73 0.00 0.00 68.15 70.17 2kvt h THR 3 CO 0.97 0.87 -1.09 0.29 -0.25 0.00 0.00 175.52 176.31 2kvt n LYS 4 N -3.47 -3.59 -1.73 4.72 5.02 -1.26 -4.92 118.16 112.93 2kvt n LYS 4 Ca -0.30 2.85 -0.41 0.00 -2.02 0.00 0.00 58.31 58.44 2kvt n LYS 4 Cb 1.05 -5.19 0.01 0.00 -0.02 0.00 0.00 35.03 30.88 2kvt n LYS 4 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2kvt n PRO 5 N 0.90 2.06 -2.38 1.97 -0.02 -1.26 -4.98 135.00 131.28 2kvt n PRO 5 Ca -0.07 0.73 -0.41 0.00 -2.02 0.00 0.00 63.50 61.74 2kvt n PRO 5 Cb 0.12 -2.48 -0.04 0.00 -0.02 0.00 0.00 33.50 31.08 2kvt n PRO 5 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2kvt s PRO 6 N -2.30 4.55 0.51 0.52 0.04 -1.26 -5.01 135.00 132.05 2kvt s PRO 6 Ca 0.61 1.90 -0.23 0.00 0.04 0.00 0.00 61.00 63.32 2kvt s PRO 6 Cb -0.48 -3.18 -0.06 0.00 0.04 0.00 0.00 34.50 30.82 2kvt s PRO 6 CO 0.58 0.06 1.38 0.71 0.04 0.00 0.00 177.00 179.77 2kvt s TYR 7 N -0.88 2.36 -0.76 0.56 2.02 -1.26 -4.77 117.35 114.61 2kvt s TYR 7 Ca 0.47 1.34 -0.24 0.00 -0.37 0.00 0.00 57.07 58.27 2kvt s TYR 7 Cb -0.34 -3.84 -0.16 0.00 -0.40 0.00 0.00 41.96 37.22 2kvt s TYR 7 CO 0.42 -2.89 2.42 -2.30 -1.57 0.00 0.00 175.55 171.64 2kvt n PRO 8 N -0.72 0.53 -2.90 -1.71 -0.02 -1.26 -4.89 135.00 124.03 2kvt n PRO 8 Ca 0.08 -0.28 -0.44 0.00 -2.02 0.00 0.00 63.50 60.85 2kvt n PRO 8 Cb 0.44 -2.77 -0.02 0.00 -0.02 0.00 0.00 33.50 31.12 2kvt n PRO 8 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2kvt s ARG 9 N 8.41 3.62 -0.09 -0.52 6.06 -1.26 -4.78 118.95 130.39 2kvt s ARG 9 Ca 1.09 -1.75 0.02 0.00 -2.50 0.00 0.00 55.73 52.59 2kvt s ARG 9 Cb -0.47 -4.96 0.01 0.00 0.06 0.00 0.00 34.95 29.60 2kvt s ARG 9 CO 0.30 -1.80 -0.13 -1.21 -2.50 0.00 0.00 175.30 169.95 2kvt s GLU 10 N 2.80 1.94 0.21 5.12 2.02 -1.26 -4.88 118.70 124.65 2kvt s GLU 10 Ca 0.34 -0.47 0.11 0.00 0.02 0.00 0.00 54.97 54.97 2kvt s GLU 10 Cb -0.04 -1.65 -0.04 0.00 0.10 0.00 0.00 34.13 32.49 2kvt s GLU 10 CO -0.09 -0.03 -0.22 0.00 0.02 0.00 0.00 175.26 174.93 2kvt s ALA 11 N 0.89 2.49 0.00 5.21 0.00 -1.26 -3.30 121.76 125.79 2kvt s ALA 11 Ca -0.10 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.20 2kvt s ALA 11 Cb -0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 2kvt s ALA 11 CO 0.01 0.37 -0.02 1.52 0.00 0.00 0.00 175.76 177.63 2kvt s TYR 12 N -1.91 0.17 -0.13 0.00 1.13 0.76 -4.98 117.35 112.39 2kvt s TYR 12 Ca 0.22 -0.13 -0.16 0.00 -1.41 0.00 0.00 57.07 55.59 2kvt s TYR 12 Cb -0.07 -0.11 -0.05 0.00 -1.10 0.00 0.00 41.96 40.64 2kvt s TYR 12 CO 0.10 -0.04 0.38 0.42 -2.51 0.00 0.00 175.55 173.91 2kvt s ILE 13 N -0.35 5.23 -0.13 -3.49 1.01 -1.26 -1.08 121.20 121.14 2kvt s ILE 13 Ca -0.03 0.75 0.02 0.00 0.00 0.00 0.00 60.65 61.39 2kvt s ILE 13 Cb -0.03 -3.72 -0.00 0.00 0.01 0.00 0.00 42.46 38.72 2kvt s ILE 13 CO -0.00 0.38 -0.19 -0.69 0.00 0.00 0.00 174.94 174.44 2kvt s VAL 14 N 0.37 2.41 -0.40 2.92 1.01 -0.13 -4.96 120.40 121.62 2kvt s VAL 14 Ca 0.21 -0.88 -0.24 0.00 0.00 0.00 0.00 61.98 61.08 2kvt s VAL 14 Cb -0.14 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.28 2kvt s VAL 14 CO 0.08 0.54 0.83 0.42 0.00 0.00 0.00 175.10 176.96 2kvt s THR 15 N 0.56 4.65 0.51 3.92 -4.23 -1.26 -0.65 115.64 119.14 2kvt s THR 15 Ca -0.11 0.81 0.04 0.00 -1.18 0.00 0.00 61.69 61.25 2kvt s THR 15 Cb -0.16 -4.29 -0.00 0.00 1.34 0.00 0.00 72.50 69.39 2kvt s THR 15 CO 0.04 -0.57 0.20 0.27 -0.54 0.00 0.00 174.62 174.01 2kvt s ILE 16 N 3.29 1.57 -0.04 2.99 -4.36 0.66 -4.97 121.20 120.34 2kvt s ILE 16 Ca 0.33 -1.74 -0.01 0.00 -0.26 0.00 0.00 60.65 58.96 2kvt s ILE 16 Cb -0.12 -2.32 0.03 0.00 1.25 0.00 0.00 42.46 41.30 2kvt s ILE 16 CO 0.20 0.00 0.07 -1.83 0.24 0.00 0.00 174.94 173.61 2kvt s GLU 17 N -4.04 -0.02 0.42 0.37 -1.05 -1.26 -0.08 118.70 113.04 2kvt s GLU 17 Ca 0.24 0.29 0.08 0.00 -0.15 0.00 0.00 54.97 55.43 2kvt s GLU 17 Cb 0.01 -0.30 -0.01 0.00 -0.44 0.00 0.00 34.13 33.39 2kvt s GLU 17 CO 0.14 -0.22 0.44 0.15 0.95 0.00 0.00 175.26 176.72 2kvt s LYS 18 N 1.44 2.61 0.07 -4.83 1.02 -0.27 -4.84 119.74 114.94 2kvt s LYS 18 Ca -0.05 -1.47 0.00 0.00 0.02 0.00 0.00 55.97 54.48 2kvt s LYS 18 Cb -0.12 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.71 2kvt s LYS 18 CO -0.04 -0.23 0.00 0.41 -0.92 0.00 0.00 175.35 174.57 2kvt n GLY 19 N -1.64 -1.73 3.77 -3.33 0.00 -1.26 -0.49 105.19 100.50 2kvt n GLY 19 Ca 0.05 -2.02 -0.39 0.00 0.00 0.00 0.00 46.02 43.66 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 4.14 -0.12 1.61 1.02 -1.22 -4.85 119.74 120.31 2kvt s LYS 20 Ca 0.00 1.90 -0.35 0.00 0.02 0.00 0.00 55.97 57.55 2kvt s LYS 20 Cb 0.00 -2.77 -0.12 0.00 -0.52 0.00 0.00 37.83 34.42 2kvt s LYS 20 CO 0.00 -0.27 1.89 -0.35 -0.92 0.00 0.00 175.35 175.70 2kvt n PRO 21 N 0.26 2.03 0.00 -1.68 -0.04 -1.26 -1.24 135.00 133.07 2kvt n PRO 21 Ca 0.03 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 2kvt n PRO 21 Cb 0.46 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 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 4.50 2.89 2.64 0.55 0.00 -1.26 -4.87 105.19 109.65 2kvt n GLY 22 Ca 0.24 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 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 5.36 -3.83 1.61 1.13 -0.38 -5.02 117.38 116.26 2kvt n GLN 23 Ca 0.00 -4.58 -0.27 0.00 -1.94 0.00 0.00 57.00 50.21 2kvt n GLN 23 Cb 0.00 -2.48 -0.03 0.00 0.11 0.00 0.00 30.24 27.84 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 -4.06 5.27 -0.17 5.09 -4.23 -1.15 -3.45 115.64 112.95 2kvt s THR 24 Ca 0.40 -0.52 -0.03 0.00 -1.18 0.00 0.00 61.69 60.36 2kvt s THR 24 Cb 0.18 -3.73 -0.02 0.00 1.34 0.00 0.00 72.50 70.27 2kvt s THR 24 CO -0.12 -0.12 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.10 2kvt s VAL 25 N -1.79 3.59 -0.25 2.29 1.01 0.35 -4.91 120.40 120.69 2kvt s VAL 25 Ca 0.36 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 2kvt s VAL 25 Cb -0.11 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 2kvt s VAL 25 CO 0.29 0.48 1.44 -0.89 0.00 0.00 0.00 175.10 176.42 2kvt s THR 26 N 0.68 3.94 -0.05 3.92 2.01 -1.26 -1.11 115.64 123.77 2kvt s THR 26 Ca -0.03 1.07 0.01 0.00 0.31 0.00 0.00 61.69 63.05 2kvt s THR 26 Cb -0.15 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 2kvt s THR 26 CO 0.02 -0.37 -0.06 0.26 -0.69 0.00 0.00 174.62 173.78 2kvt s TRP 27 N 4.68 2.95 -0.32 4.92 0.52 0.89 -4.71 118.94 127.87 2kvt s TRP 27 Ca 0.63 0.03 -0.10 0.00 0.02 0.00 0.00 56.10 56.67 2kvt s TRP 27 Cb -0.21 -1.69 -0.01 0.00 -1.15 0.00 0.00 33.47 30.42 2kvt s TRP 27 CO 0.25 0.36 0.18 0.71 0.02 0.00 0.00 176.95 178.47 2kvt s TYR 28 N -0.88 3.19 -0.28 -1.98 1.51 0.48 -0.25 117.35 119.14 2kvt s TYR 28 Ca 0.14 -0.50 -0.16 0.00 -1.01 0.00 0.00 57.07 55.53 2kvt s TYR 28 Cb -0.11 -2.39 -0.03 0.00 -0.11 0.00 0.00 41.96 39.32 2kvt s TYR 28 CO 0.04 -0.44 0.44 -0.65 -1.11 0.00 0.00 175.55 173.82 2kvt s GLN 29 N 1.64 3.97 -0.44 -0.62 -0.21 0.18 -1.15 119.66 123.02 2kvt s GLN 29 Ca 0.05 0.10 -0.26 0.00 0.02 0.00 0.00 55.36 55.27 2kvt s GLN 29 Cb -0.17 -3.68 0.02 0.00 1.00 0.00 0.00 33.01 30.18 2kvt s GLN 29 CO 0.07 -0.36 0.94 -1.17 -2.12 0.00 0.00 175.29 172.66 2kvt s LEU 30 N 2.19 3.98 0.37 2.90 2.96 -0.22 -0.95 118.68 129.90 2kvt s LEU 30 Ca 0.17 0.24 0.09 0.00 -0.22 0.00 0.00 54.13 54.41 2kvt s LEU 30 Cb -0.16 -3.23 -0.07 0.00 0.50 0.00 0.00 46.19 43.23 2kvt s LEU 30 CO 0.10 -1.02 -0.03 -0.13 -1.32 0.00 0.00 176.35 173.95 2kvt s ARG 31 N 3.75 1.93 0.02 1.98 0.52 -0.24 -0.20 118.95 126.70 2kvt s ARG 31 Ca 0.38 -1.95 0.03 0.00 -0.52 0.00 0.00 55.73 53.68 2kvt s ARG 31 Cb -0.10 -1.74 -0.02 0.00 0.52 0.00 0.00 34.95 33.61 2kvt s ARG 31 CO 0.25 0.07 -0.10 0.00 0.02 0.00 0.00 175.30 175.54 2kvt s ALA 32 N -2.62 0.81 0.05 2.13 0.00 0.08 -0.17 121.76 122.04 2kvt s ALA 32 Ca 0.34 -0.59 0.10 0.00 0.00 0.00 0.00 51.96 51.80 2kvt s ALA 32 Cb 0.04 -0.13 -0.08 0.00 0.00 0.00 0.00 23.12 22.95 2kvt s ALA 32 CO 0.18 0.14 1.35 -0.44 0.00 0.00 0.00 175.76 177.00 2kvt h ASP 33 N 5.30 0.00 -3.35 0.00 3.32 -1.74 -3.33 116.42 116.63 2kvt h ASP 33 Ca -0.34 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.08 2kvt h ASP 33 Cb 1.19 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.54 2kvt h ASP 33 CO 0.46 0.83 -0.63 -1.00 -1.72 0.00 0.00 179.24 177.18 2kvt s HIS 34 N -2.85 3.10 -0.24 4.55 3.76 -1.26 -3.01 115.29 119.35 2kvt s HIS 34 Ca 0.02 -0.21 0.20 0.00 -0.15 0.00 0.00 55.06 54.91 2kvt s HIS 34 Cb 0.09 -2.04 0.06 0.00 1.11 0.00 0.00 32.58 31.80 2kvt s HIS 34 CO 0.79 -0.03 1.20 -1.00 -0.85 0.00 0.00 174.74 174.85 2kvt h PRO 35 N 6.94 0.00 -6.56 8.40 0.13 -1.96 -3.48 132.00 135.47 2kvt h PRO 35 Ca -0.34 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.09 2kvt h PRO 35 Cb 1.18 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.05 2kvt h PRO 35 CO 0.65 0.17 -0.84 0.15 -0.23 0.00 0.00 178.00 177.89 2kvt s LYS 36 N -3.15 2.14 0.59 0.86 -0.14 -1.16 -5.02 119.74 113.86 2kvt s LYS 36 Ca 0.01 -0.92 0.31 0.00 -1.36 0.00 0.00 55.97 54.02 2kvt s LYS 36 Cb 0.08 -2.14 1.82 0.00 -1.68 0.00 0.00 37.83 35.90 2kvt s LYS 36 CO 0.76 0.56 2.23 -1.35 -0.76 0.00 0.00 175.35 176.79 2kvt h PRO 37 N 5.11 0.00 -0.15 -1.68 0.11 -1.66 -1.82 132.00 131.91 2kvt h PRO 37 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2kvt h PRO 37 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2kvt h PRO 37 CO 0.47 0.03 0.00 -0.25 -0.21 0.00 0.00 178.00 178.04 2kvt n ASP 38 N -3.70 0.52 -4.56 -2.05 8.00 -1.26 -4.46 116.55 109.03 2kvt n ASP 38 Ca -0.03 -2.01 -0.32 0.00 0.71 0.00 0.00 54.79 53.14 2kvt n ASP 38 Cb 0.12 -0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.08 2kvt n ASP 38 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2kvt s SER 39 N -0.92 5.65 -0.15 -2.24 0.01 -0.68 -4.96 113.70 110.41 2kvt s SER 39 Ca 0.05 -1.03 -0.24 0.00 1.31 0.00 0.00 55.95 56.04 2kvt s SER 39 Cb 0.03 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 2kvt s SER 39 CO 0.03 -2.29 0.77 -0.22 0.41 0.00 0.00 173.24 171.94 2kvt s LEU 40 N 8.21 4.20 -0.20 2.44 2.96 -1.26 -0.74 118.68 134.30 2kvt s LEU 40 Ca 0.61 1.13 -0.16 0.00 -0.22 0.00 0.00 54.13 55.49 2kvt s LEU 40 Cb -0.04 -3.15 -0.12 0.00 0.50 0.00 0.00 46.19 43.38 2kvt s LEU 40 CO -0.03 -0.31 -0.04 -0.38 -1.32 0.00 0.00 176.35 174.27 2kvt n ILE 41 N 4.51 1.49 -3.56 6.68 2.08 0.72 -5.01 119.36 126.27 2kvt n ILE 41 Ca 0.02 0.01 -0.10 0.00 0.56 0.00 0.00 62.75 63.25 2kvt n ILE 41 Cb 0.50 -2.15 -0.04 0.00 -0.75 0.00 0.00 39.64 37.19 2kvt n ILE 41 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2kvt s SER 42 N -6.52 -0.36 -0.13 4.38 1.04 -1.21 -5.02 113.70 105.87 2kvt s SER 42 Ca -0.26 0.31 -0.05 0.00 0.48 0.00 0.00 55.95 56.44 2kvt s SER 42 Cb 0.06 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 2kvt s SER 42 CO 0.45 -0.39 0.04 -1.61 0.98 0.00 0.00 173.24 172.70 2kvt s GLU 43 N -1.55 3.44 -0.01 4.02 2.02 -1.26 -1.05 118.70 124.31 2kvt s GLU 43 Ca -0.00 -0.36 0.01 0.00 0.02 0.00 0.00 54.97 54.64 2kvt s GLU 43 Cb -0.01 -3.00 0.01 0.00 0.10 0.00 0.00 34.13 31.24 2kvt s GLU 43 CO -0.01 0.53 -0.01 -1.01 0.02 0.00 0.00 175.26 174.78 2kvt s HIS 44 N -0.37 0.20 -1.57 1.61 3.76 -0.30 -4.98 115.29 113.65 2kvt s HIS 44 Ca 0.08 -0.01 0.25 0.00 -0.15 0.00 0.00 55.06 55.23 2kvt s HIS 44 Cb -0.12 -0.20 1.34 0.00 1.11 0.00 0.00 32.58 34.72 2kvt s HIS 44 CO 0.02 -0.04 1.86 -0.35 -0.85 0.00 0.00 174.74 175.38 2kvt n PRO 45 N 3.38 0.47 -4.44 8.40 -0.04 -1.26 -0.39 135.00 141.13 2kvt n PRO 45 Ca -0.17 0.04 -0.21 0.00 -0.04 0.00 0.00 63.50 63.12 2kvt n PRO 45 Cb 0.56 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 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 -2.43 1.12 0.27 0.52 -4.23 -1.26 -4.81 115.64 104.82 2kvt s THR 46 Ca 0.28 -0.89 -0.04 0.00 -1.18 0.00 0.00 61.69 59.86 2kvt s THR 46 Cb 0.17 -0.99 0.24 0.00 1.34 0.00 0.00 72.50 73.26 2kvt s THR 46 CO 0.36 0.10 1.92 0.00 -0.54 0.00 0.00 174.62 176.46 2kvt h ALA 47 N 5.18 1.31 -0.29 3.99 0.00 -1.96 -2.47 119.26 125.02 2kvt h ALA 47 Ca -0.37 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.50 2kvt h ALA 47 Cb 1.17 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 2kvt h ALA 47 CO 0.45 0.59 -0.01 0.37 0.00 0.00 0.00 179.25 180.65 2kvt h GLN 48 N 1.16 0.07 -0.47 0.00 -0.00 -1.98 0.63 115.11 114.51 2kvt h GLN 48 Ca 0.30 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.91 2kvt h GLN 48 Cb -0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.39 2kvt h GLN 48 CO -0.06 0.05 0.12 0.93 0.00 0.00 0.00 178.83 179.87 2kvt h GLU 49 N 0.07 0.71 0.22 1.69 4.39 -1.88 0.44 114.58 120.21 2kvt h GLU 49 Ca 0.14 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2kvt h GLU 49 Cb 0.19 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2kvt h GLU 49 CO -0.25 0.64 -0.10 0.00 -1.16 0.00 0.00 179.01 178.14 2kvt h ALA 50 N 1.44 -0.29 -0.68 3.43 0.00 -0.96 -1.32 119.26 120.88 2kvt h ALA 50 Ca 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2kvt h ALA 50 Cb 0.25 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2kvt h ALA 50 CO -0.00 -0.53 0.32 0.52 0.00 0.00 0.00 179.25 179.55 2kvt h MET 51 N -0.56 0.96 0.22 0.00 2.86 -0.72 -0.68 114.93 117.01 2kvt h MET 51 Ca -0.03 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 2kvt h MET 51 Cb 0.41 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2kvt h MET 51 CO 0.05 0.75 -0.10 0.22 1.06 0.00 0.00 176.91 178.88 2kvt h ASP 52 N 0.96 -0.24 -0.91 1.22 3.58 -0.09 -1.54 116.42 119.40 2kvt h ASP 52 Ca 0.23 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.63 2kvt h ASP 52 Cb 0.11 0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.18 2kvt h ASP 52 CO -0.03 -0.13 0.50 0.00 -2.88 0.00 0.00 179.24 176.70 2kvt h ALA 53 N 0.43 1.17 0.22 -0.78 0.00 -1.12 -2.49 119.26 116.70 2kvt h ALA 53 Ca -0.03 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.76 2kvt h ALA 53 Cb 0.26 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2kvt h ALA 53 CO 0.05 0.67 -0.27 -0.22 0.00 0.00 0.00 179.25 179.47 2kvt h LYS 54 N 1.27 -0.53 -0.93 0.00 3.64 -0.88 0.11 116.57 119.25 2kvt h LYS 54 Ca 0.32 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.78 2kvt h LYS 54 Cb 0.02 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 2kvt h LYS 54 CO -0.05 -0.35 0.60 1.57 -2.27 0.00 0.00 179.45 178.95 2kvt h LYS 55 N -0.55 1.12 0.00 1.90 2.10 -1.22 -0.82 116.57 119.09 2kvt h LYS 55 Ca 0.00 -0.07 -0.04 0.00 -2.00 0.00 0.00 60.65 58.54 2kvt h LYS 55 Cb 0.53 -0.25 -0.01 0.00 -0.90 0.00 0.00 32.23 31.60 2kvt h LYS 55 CO -0.09 0.74 -0.21 0.00 -2.00 0.00 0.00 179.45 177.89 2kvt h ARG 56 N 1.15 0.00 0.00 0.07 3.08 -0.99 0.69 114.38 118.38 2kvt h ARG 56 Ca 0.38 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.26 2kvt h ARG 56 Cb 0.05 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2kvt h ARG 56 CO -0.14 0.21 -0.82 -0.92 -1.07 0.00 0.00 179.97 177.23 2kvt h TYR 57 N 0.00 0.00 0.00 3.04 3.20 0.57 -3.35 116.97 120.43 2kvt h TYR 57 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2kvt h TYR 57 Cb 0.52 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.79 2kvt h TYR 57 CO 0.00 0.82 -1.44 0.39 -1.64 0.00 0.00 178.16 176.29 2kvt n GLU 58 N -3.51 0.71 -1.29 1.82 1.02 -0.64 -5.00 120.64 113.75 2kvt n GLU 58 Ca -0.00 -0.10 -0.31 0.00 -0.02 0.00 0.00 57.16 56.72 2kvt n GLU 58 Cb 0.80 -1.42 0.09 0.00 -0.02 0.00 0.00 31.44 30.89 2kvt n GLU 58 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kvt s ASP 59 N -3.58 4.47 0.41 1.62 1.01 0.23 -4.94 116.67 115.89 2kvt s ASP 59 Ca -0.01 1.88 0.10 0.00 0.71 0.00 0.00 52.55 55.23 2kvt s ASP 59 Cb 0.13 -2.53 0.91 0.00 1.01 0.00 0.00 42.92 42.44 2kvt s ASP 59 CO 0.78 -2.06 1.99 -0.65 0.21 0.00 0.00 175.17 175.44 2kvt h PRO 60 N -1.02 0.52 -6.17 8.23 0.11 -1.91 -3.38 132.00 128.38 2kvt h PRO 60 Ca -0.44 -0.03 -0.52 0.00 0.11 0.00 0.00 66.00 65.12 2kvt h PRO 60 Cb 1.24 -0.12 -0.06 0.00 0.11 0.00 0.00 31.00 32.17 2kvt h PRO 60 CO 0.51 0.34 1.19 -0.51 -0.21 0.00 0.00 178.00 179.32 2kvt s ASP 61 N -6.34 5.79 0.10 -2.05 1.11 -1.26 -4.98 116.67 109.04 2kvt s ASP 61 Ca -0.08 -0.23 0.10 0.00 0.18 0.00 0.00 52.55 52.52 2kvt s ASP 61 Cb 0.19 -2.55 -0.04 0.00 1.07 0.00 0.00 42.92 41.60 2kvt s ASP 61 CO 0.75 -2.07 -0.27 -0.54 1.18 0.00 0.00 175.17 174.23 2kvt s LYS 62 N 6.25 1.55 -1.33 8.23 -0.14 -1.26 -4.79 119.74 128.24 2kvt s LYS 62 Ca 0.50 -1.25 -0.05 0.00 -1.36 0.00 0.00 55.97 53.81 2kvt s LYS 62 Cb -0.09 -1.91 0.03 0.00 -1.68 0.00 0.00 37.83 34.17 2kvt s LYS 62 CO 0.15 0.47 0.35 0.39 -0.76 0.00 0.00 175.35 175.94 2kvt n GLU 63 N 1.26 -3.33 0.00 1.68 1.02 -1.26 -4.82 120.64 115.19 2kvt n GLU 63 Ca -0.18 0.66 0.10 0.00 -0.02 0.00 0.00 57.16 57.73 2kvt n GLU 63 Cb 0.53 -5.38 0.60 0.00 -0.02 0.00 0.00 31.44 27.17 2kvt n GLU 63 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 2kvt n LEU 64 N -3.49 0.00 -4.56 -4.62 -0.00 -1.26 -4.66 117.00 98.40 2kvt n LEU 64 Ca -0.09 0.01 -0.27 0.00 -0.00 0.00 0.00 56.01 55.66 2kvt n LEU 64 Cb 0.59 -0.01 -0.05 0.00 -0.00 0.00 0.00 43.42 43.95 2kvt n LEU 64 CO 0.39 -0.01 1.36 -1.61 -0.00 0.00 0.00 177.39 177.53 2kvt s GLU 65 N -2.03 2.55 -0.81 1.47 2.02 -1.26 -4.90 118.70 115.75 2kvt s GLU 65 Ca 0.30 -0.41 -0.14 0.00 0.02 0.00 0.00 54.97 54.74 2kvt s GLU 65 Cb 0.14 -5.09 0.21 0.00 0.10 0.00 0.00 34.13 29.49 2kvt s GLU 65 CO 0.24 -3.46 0.75 -3.38 0.02 0.00 0.00 175.26 169.43 2kvt s HIS 66 N 10.18 3.73 0.15 1.61 -3.43 -1.26 -4.70 115.29 121.57 2kvt s HIS 66 Ca 0.70 -1.95 -0.17 0.00 -0.80 0.00 0.00 55.06 52.83 2kvt s HIS 66 Cb -0.06 -3.81 -0.07 0.00 -1.43 0.00 0.00 32.58 27.21 2kvt s HIS 66 CO 0.01 -0.99 0.60 -1.58 -2.00 0.00 0.00 174.74 170.78 2kvt s HIS 67 N 0.26 3.67 -0.59 0.38 2.46 0.67 -4.96 115.29 117.18 2kvt s HIS 67 Ca 0.17 1.21 0.14 0.00 0.47 0.00 0.00 55.06 57.05 2kvt s HIS 67 Cb -0.12 -2.47 0.72 0.00 -0.13 0.00 0.00 32.58 30.58 2kvt s HIS 67 CO -0.08 0.45 1.45 1.58 -2.47 0.00 0.00 174.74 175.66 2kvt n HIS 68 N 1.02 0.43 -0.81 3.88 -0.00 -1.26 -0.77 115.22 117.72 2kvt n HIS 68 Ca -0.06 0.21 0.05 0.00 0.46 0.00 0.00 57.72 58.38 2kvt n HIS 68 Cb 0.51 -0.84 0.07 0.00 -0.12 0.00 0.00 29.99 29.61 2kvt n HIS 68 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kvt n HIS 69 N -1.93 0.00 -3.37 1.57 8.25 -1.26 -5.01 115.22 113.47 2kvt n HIS 69 Ca 0.00 -0.65 0.02 0.00 -0.26 0.00 0.00 57.72 56.83 2kvt n HIS 69 Cb 0.07 -0.09 -0.04 0.00 1.12 0.00 0.00 29.99 31.05 2kvt n HIS 69 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kvt s HIS 70 N -1.72 -0.73 0.00 4.41 5.65 0.05 -5.25 115.29 117.69 2kvt s HIS 70 Ca 0.15 1.17 0.00 0.00 0.25 0.00 0.00 55.06 56.64 2kvt s HIS 70 Cb 0.13 0.40 0.00 0.00 -1.18 0.00 0.00 32.58 31.94 2kvt s HIS 70 CO 0.01 -0.37 0.22 1.58 -0.65 0.00 0.00 174.74 175.54