#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvt n PRO 2 N 0.00 2.47 -3.91 0.03 -0.04 -1.26 -4.98 135.00 127.31 2kvt n PRO 2 Ca 0.00 0.83 -0.35 0.00 -0.04 0.00 0.00 63.50 63.94 2kvt n PRO 2 Cb 0.00 -3.08 -0.14 0.00 -0.04 0.00 0.00 33.50 30.24 2kvt n PRO 2 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2kvt s THR 3 N 6.01 3.20 0.18 0.52 2.01 -1.26 -5.11 115.64 121.20 2kvt s THR 3 Ca 0.94 -0.77 -0.10 0.00 0.31 0.00 0.00 61.69 62.07 2kvt s THR 3 Cb -0.41 -2.56 -0.07 0.00 0.01 0.00 0.00 72.50 69.48 2kvt s THR 3 CO 0.40 0.28 0.51 -0.54 -0.69 0.00 0.00 174.62 174.57 2kvt s LYS 4 N 1.41 3.81 0.65 4.92 1.02 -1.26 -5.10 119.74 125.20 2kvt s LYS 4 Ca 0.03 0.26 -0.17 0.00 0.02 0.00 0.00 55.97 56.11 2kvt s LYS 4 Cb -0.16 -2.78 -0.00 0.00 -0.52 0.00 0.00 37.83 34.37 2kvt s LYS 4 CO -0.03 0.40 1.19 -2.14 -0.92 0.00 0.00 175.35 173.85 2kvt s PRO 5 N -2.49 2.67 0.00 -1.68 0.02 -1.26 -4.93 135.00 127.33 2kvt s PRO 5 Ca 0.43 1.72 0.18 0.00 0.02 0.00 0.00 61.00 63.35 2kvt s PRO 5 Cb -0.12 -1.90 0.90 0.00 0.02 0.00 0.00 34.50 33.40 2kvt s PRO 5 CO 0.21 -1.42 1.54 -0.35 -0.33 0.00 0.00 177.00 176.65 2kvt n PRO 6 N -2.11 0.25 -2.97 5.54 -0.04 -1.26 -4.95 135.00 129.45 2kvt n PRO 6 Ca 0.13 0.12 -0.06 0.00 -0.04 0.00 0.00 63.50 63.65 2kvt n PRO 6 Cb 0.50 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.47 2kvt n PRO 6 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2kvt n TYR 7 N -1.29 -2.60 -1.52 0.54 4.02 -1.26 -4.76 117.16 110.29 2kvt n TYR 7 Ca 0.08 1.12 -0.51 0.00 -0.01 0.00 0.00 57.90 58.59 2kvt n TYR 7 Cb 0.14 -2.89 -0.07 0.00 -0.02 0.00 0.00 39.34 36.51 2kvt n TYR 7 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 2kvt n PRO 8 N 0.61 1.26 -2.98 -0.72 -0.02 -1.26 -4.94 135.00 126.96 2kvt n PRO 8 Ca 0.01 0.38 -0.36 0.00 -2.02 0.00 0.00 63.50 61.51 2kvt n PRO 8 Cb 0.30 -2.46 -0.06 0.00 -0.02 0.00 0.00 33.50 31.26 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 5.57 4.37 0.19 -0.52 6.06 -1.26 -5.09 118.95 128.28 2kvt s ARG 9 Ca 1.06 1.04 0.09 0.00 -2.50 0.00 0.00 55.73 55.41 2kvt s ARG 9 Cb -0.85 -2.82 -0.04 0.00 0.06 0.00 0.00 34.95 31.30 2kvt s ARG 9 CO 0.51 0.33 -0.18 -1.83 -2.50 0.00 0.00 175.30 171.64 2kvt s GLU 10 N -2.07 1.36 0.17 5.12 4.04 -1.26 -4.62 118.70 121.44 2kvt s GLU 10 Ca 0.47 -1.51 0.04 0.00 0.04 0.00 0.00 54.97 54.00 2kvt s GLU 10 Cb -0.17 -1.36 -0.01 0.00 0.02 0.00 0.00 34.13 32.61 2kvt s GLU 10 CO 0.22 0.26 0.13 0.00 -1.84 0.00 0.00 175.26 174.03 2kvt n ALA 11 N -0.02 0.35 -3.81 -0.84 0.00 -1.26 -4.24 120.51 110.68 2kvt n ALA 11 Ca -0.11 -0.98 -0.07 0.00 0.00 0.00 0.00 53.44 52.28 2kvt n ALA 11 Cb 0.58 0.77 -0.02 0.00 0.00 0.00 0.00 19.45 20.79 2kvt n ALA 11 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2kvt s TYR 12 N -2.63 -0.17 -0.07 0.00 1.13 0.68 -4.96 117.35 111.34 2kvt s TYR 12 Ca 0.19 -0.27 0.02 0.00 -1.41 0.00 0.00 57.07 55.59 2kvt s TYR 12 Cb 0.01 0.68 -0.03 0.00 -1.10 0.00 0.00 41.96 41.52 2kvt s TYR 12 CO 0.13 -1.21 -0.10 0.42 -2.51 0.00 0.00 175.55 172.28 2kvt s ILE 13 N -3.92 3.41 -0.07 -3.49 1.01 -1.26 -1.17 121.20 115.71 2kvt s ILE 13 Ca 0.11 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.21 2kvt s ILE 13 Cb -0.06 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 2kvt s ILE 13 CO 0.06 0.59 -0.17 -0.69 0.00 0.00 0.00 174.94 174.74 2kvt s VAL 14 N -0.68 2.80 -0.34 2.92 1.01 -0.12 -4.95 120.40 121.05 2kvt s VAL 14 Ca 0.10 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 2kvt s VAL 14 Cb -0.11 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.17 2kvt s VAL 14 CO 0.01 0.57 0.18 0.42 0.00 0.00 0.00 175.10 176.28 2kvt s THR 15 N -0.32 4.63 0.39 3.92 -4.23 -1.26 -0.00 115.64 118.77 2kvt s THR 15 Ca 0.02 -0.60 0.08 0.00 -1.18 0.00 0.00 61.69 60.01 2kvt s THR 15 Cb -0.13 -3.46 -0.05 0.00 1.34 0.00 0.00 72.50 70.20 2kvt s THR 15 CO 0.02 -0.07 0.14 0.27 -0.54 0.00 0.00 174.62 174.44 2kvt s ILE 16 N 1.59 2.49 -0.05 2.99 -4.36 -0.06 -4.96 121.20 118.85 2kvt s ILE 16 Ca 0.04 -1.76 0.04 0.00 -0.26 0.00 0.00 60.65 58.71 2kvt s ILE 16 Cb -0.18 -2.95 -0.00 0.00 1.25 0.00 0.00 42.46 40.57 2kvt s ILE 16 CO 0.07 -0.07 -0.17 -1.83 0.24 0.00 0.00 174.94 173.18 2kvt s GLU 17 N -3.85 1.81 0.18 0.37 -1.05 -1.26 -0.43 118.70 114.46 2kvt s GLU 17 Ca 0.39 -0.60 0.06 0.00 -0.15 0.00 0.00 54.97 54.67 2kvt s GLU 17 Cb 0.02 -1.55 -0.05 0.00 -0.44 0.00 0.00 34.13 32.11 2kvt s GLU 17 CO 0.22 0.22 -0.12 0.15 0.95 0.00 0.00 175.26 176.68 2kvt s LYS 18 N 0.10 1.20 0.00 -4.83 1.02 -0.38 -4.91 119.74 111.95 2kvt s LYS 18 Ca -0.05 -1.53 0.00 0.00 0.02 0.00 0.00 55.97 54.41 2kvt s LYS 18 Cb -0.12 -0.86 0.00 0.00 -0.52 0.00 0.00 37.83 36.33 2kvt s LYS 18 CO 0.03 0.12 0.00 0.41 -0.92 0.00 0.00 175.35 174.99 2kvt n GLY 19 N -0.29 1.05 3.82 -3.33 0.00 -1.26 -0.31 105.19 104.87 2kvt n GLY 19 Ca -0.09 -1.57 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 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 4.15 0.26 1.61 1.02 -1.23 -4.97 119.74 120.57 2kvt s LYS 20 Ca 0.00 0.72 -0.02 0.00 0.02 0.00 0.00 55.97 56.69 2kvt s LYS 20 Cb 0.00 -2.93 0.52 0.00 -0.52 0.00 0.00 37.83 34.90 2kvt s LYS 20 CO 0.00 0.45 1.73 -1.35 -0.92 0.00 0.00 175.35 175.25 2kvt h PRO 21 N 3.56 0.45 0.26 -1.68 0.11 -2.01 -2.80 132.00 129.90 2kvt h PRO 21 Ca -0.48 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2kvt h PRO 21 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2kvt h PRO 21 CO 0.65 0.30 -0.13 0.78 -0.21 0.00 0.00 178.00 179.39 2kvt h GLY 22 N 0.46 -0.37 -7.67 -0.55 0.00 -2.00 -3.40 103.07 89.54 2kvt h GLY 22 Ca 0.45 0.14 -0.80 0.00 0.00 0.00 0.00 47.33 47.12 2kvt h GLY 22 CO -0.43 -0.13 0.31 1.20 0.00 0.00 0.00 176.54 177.49 2kvt s GLN 23 N -2.71 3.97 0.50 4.80 -1.52 -1.18 -5.05 119.66 118.47 2kvt s GLN 23 Ca -0.05 -2.93 -0.07 0.00 -1.95 0.00 0.00 55.36 50.36 2kvt s GLN 23 Cb 0.01 -4.50 -0.04 0.00 -0.22 0.00 0.00 33.01 28.25 2kvt s GLN 23 CO 0.16 -1.26 0.83 0.95 -0.25 0.00 0.00 175.29 175.72 2kvt s THR 24 N -0.71 4.85 -0.20 -0.19 -4.23 -1.07 -3.58 115.64 110.52 2kvt s THR 24 Ca 0.26 0.40 -0.05 0.00 -1.18 0.00 0.00 61.69 61.12 2kvt s THR 24 Cb -0.10 -3.84 -0.02 0.00 1.34 0.00 0.00 72.50 69.87 2kvt s THR 24 CO -0.08 -0.85 -0.01 -0.69 -0.54 0.00 0.00 174.62 172.44 2kvt s VAL 25 N -2.76 3.82 -0.35 2.29 1.01 0.58 -4.91 120.40 120.08 2kvt s VAL 25 Ca 0.49 -0.36 -0.28 0.00 0.00 0.00 0.00 61.98 61.84 2kvt s VAL 25 Cb -0.10 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.57 2kvt s VAL 25 CO 0.44 0.43 1.05 -0.89 0.00 0.00 0.00 175.10 176.13 2kvt s THR 26 N 1.05 4.49 -0.16 3.92 2.01 -1.26 -1.25 115.64 124.44 2kvt s THR 26 Ca 0.02 1.56 -0.06 0.00 0.31 0.00 0.00 61.69 63.52 2kvt s THR 26 Cb -0.14 -4.42 -0.04 0.00 0.01 0.00 0.00 72.50 67.91 2kvt s THR 26 CO 0.01 -0.55 0.02 0.26 -0.69 0.00 0.00 174.62 173.67 2kvt s TRP 27 N 3.71 3.17 -0.36 4.92 0.52 0.42 -4.61 118.94 126.71 2kvt s TRP 27 Ca 0.44 -0.03 -0.16 0.00 0.02 0.00 0.00 56.10 56.38 2kvt s TRP 27 Cb -0.11 -2.00 -0.00 0.00 -1.15 0.00 0.00 33.47 30.20 2kvt s TRP 27 CO 0.18 0.14 0.38 0.71 0.02 0.00 0.00 176.95 178.38 2kvt s TYR 28 N 0.20 3.20 -0.46 -1.98 1.51 0.63 -0.88 117.35 119.57 2kvt s TYR 28 Ca 0.02 -0.10 -0.21 0.00 -1.01 0.00 0.00 57.07 55.77 2kvt s TYR 28 Cb -0.13 -2.71 0.03 0.00 -0.11 0.00 0.00 41.96 39.04 2kvt s TYR 28 CO 0.01 -0.49 0.66 -0.65 -1.11 0.00 0.00 175.55 173.98 2kvt s GLN 29 N 2.04 3.25 -0.38 -0.62 -0.21 0.99 -1.39 119.66 123.35 2kvt s GLN 29 Ca 0.12 -0.46 -0.28 0.00 0.02 0.00 0.00 55.36 54.75 2kvt s GLN 29 Cb -0.17 -3.99 -0.01 0.00 1.00 0.00 0.00 33.01 29.85 2kvt s GLN 29 CO 0.12 -1.09 1.63 -1.17 -2.12 0.00 0.00 175.29 172.66 2kvt s LEU 30 N 2.88 3.53 0.20 2.90 2.96 0.17 -0.94 118.68 130.37 2kvt s LEU 30 Ca 0.22 1.06 0.09 0.00 -0.22 0.00 0.00 54.13 55.27 2kvt s LEU 30 Cb -0.15 -3.49 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 2kvt s LEU 30 CO 0.18 -1.61 -0.17 -0.13 -1.32 0.00 0.00 176.35 173.30 2kvt s ARG 31 N 5.40 1.35 0.24 1.98 0.52 -0.31 -0.74 118.95 127.38 2kvt s ARG 31 Ca 0.71 -1.54 0.11 0.00 -0.52 0.00 0.00 55.73 54.49 2kvt s ARG 31 Cb -0.18 -1.28 -0.05 0.00 0.52 0.00 0.00 34.95 33.96 2kvt s ARG 31 CO 0.33 0.24 -0.17 0.00 0.02 0.00 0.00 175.30 175.72 2kvt s ALA 32 N -2.55 2.78 -0.30 2.13 0.00 -1.15 -0.23 121.76 122.44 2kvt s ALA 32 Ca 0.21 -1.72 0.23 0.00 0.00 0.00 0.00 51.96 50.68 2kvt s ALA 32 Cb -0.03 -0.43 0.10 0.00 0.00 0.00 0.00 23.12 22.77 2kvt s ALA 32 CO 0.08 0.35 1.22 0.22 0.00 0.00 0.00 175.76 177.63 2kvt h ASP 33 N 2.59 0.00 -4.21 0.00 3.58 -1.74 -3.32 116.42 113.32 2kvt h ASP 33 Ca -0.44 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.47 2kvt h ASP 33 Cb 1.23 0.00 -0.30 0.00 1.72 0.00 0.00 39.33 41.99 2kvt h ASP 33 CO 0.56 0.01 -0.83 -1.00 -2.88 0.00 0.00 179.24 175.09 2kvt s HIS 34 N -3.31 1.58 -1.98 0.28 3.76 -1.26 -3.30 115.29 111.05 2kvt s HIS 34 Ca 0.02 -0.34 0.31 0.00 -0.15 0.00 0.00 55.06 54.90 2kvt s HIS 34 Cb 0.08 -1.03 1.59 0.00 1.11 0.00 0.00 32.58 34.34 2kvt s HIS 34 CO 0.75 -0.06 2.06 -0.35 -0.85 0.00 0.00 174.74 176.29 2kvt n PRO 35 N 2.79 1.02 -4.07 8.40 -0.04 -1.26 -4.96 135.00 136.87 2kvt n PRO 35 Ca -0.16 -0.22 -0.14 0.00 -0.04 0.00 0.00 63.50 62.94 2kvt n PRO 35 Cb 0.54 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 2kvt n PRO 35 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2kvt s LYS 36 N -2.13 0.36 0.18 0.54 1.02 -1.23 -5.07 119.74 113.41 2kvt s LYS 36 Ca 0.41 -0.30 -0.05 0.00 0.02 0.00 0.00 55.97 56.05 2kvt s LYS 36 Cb 0.21 -0.28 0.07 0.00 -0.52 0.00 0.00 37.83 37.31 2kvt s LYS 36 CO 0.39 0.07 1.48 -1.00 -0.92 0.00 0.00 175.35 175.37 2kvt h PRO 37 N 5.63 0.64 -0.89 -1.68 0.13 -1.65 -2.86 132.00 131.32 2kvt h PRO 37 Ca -0.29 -0.40 -0.10 0.00 -0.87 0.00 0.00 66.00 64.34 2kvt h PRO 37 Cb 1.20 0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.31 2kvt h PRO 37 CO 0.48 1.01 0.13 -0.25 -0.23 0.00 0.00 178.00 179.14 2kvt n ASP 38 N -3.97 3.24 -4.55 1.44 9.92 -1.26 -4.44 116.55 116.92 2kvt n ASP 38 Ca -0.03 -2.56 -0.33 0.00 -0.53 0.00 0.00 54.79 51.34 2kvt n ASP 38 Cb 0.61 -0.62 -0.04 0.00 -0.64 0.00 0.00 41.12 40.43 2kvt n ASP 38 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2kvt s SER 39 N -0.21 4.79 -0.65 -2.24 1.04 -1.08 -4.91 113.70 110.44 2kvt s SER 39 Ca 0.25 0.42 -0.28 0.00 0.48 0.00 0.00 55.95 56.82 2kvt s SER 39 Cb 0.20 -2.53 0.02 0.00 0.10 0.00 0.00 66.02 63.82 2kvt s SER 39 CO 0.06 -2.80 1.30 -0.22 0.98 0.00 0.00 173.24 172.57 2kvt s LEU 40 N 11.03 3.30 -0.14 2.42 2.96 -1.26 -2.93 118.68 134.05 2kvt s LEU 40 Ca 0.81 -0.11 -0.23 0.00 -0.22 0.00 0.00 54.13 54.39 2kvt s LEU 40 Cb -0.13 -2.84 -0.25 0.00 0.50 0.00 0.00 46.19 43.47 2kvt s LEU 40 CO 0.18 -1.73 0.57 0.40 -1.32 0.00 0.00 176.35 174.45 2kvt h ILE 41 N 6.17 1.32 -2.34 6.68 1.08 -1.29 -3.50 117.51 125.64 2kvt h ILE 41 Ca -0.27 -2.33 0.04 0.00 -0.39 0.00 0.00 64.86 61.91 2kvt h ILE 41 Cb 1.06 2.87 -0.16 0.00 -3.07 0.00 0.00 36.82 37.52 2kvt h ILE 41 CO 1.23 0.56 0.38 -0.55 -0.69 0.00 0.00 178.15 179.07 2kvt s SER 42 N -6.68 -0.47 -0.08 1.72 0.15 -1.12 -5.00 113.70 102.21 2kvt s SER 42 Ca -0.21 0.17 0.01 0.00 0.70 0.00 0.00 55.95 56.61 2kvt s SER 42 Cb 0.02 0.46 0.02 0.00 -1.71 0.00 0.00 66.02 64.81 2kvt s SER 42 CO 0.70 -0.68 -0.08 -1.61 1.20 0.00 0.00 173.24 172.76 2kvt s GLU 43 N -2.72 1.43 0.01 5.44 2.02 -1.26 0.43 118.70 124.05 2kvt s GLU 43 Ca 0.00 -0.27 0.00 0.00 0.02 0.00 0.00 54.97 54.73 2kvt s GLU 43 Cb -0.01 -1.37 -0.01 0.00 0.10 0.00 0.00 34.13 32.84 2kvt s GLU 43 CO -0.06 -0.14 -0.02 -1.01 0.02 0.00 0.00 175.26 174.05 2kvt s HIS 44 N 1.23 0.20 -0.84 1.61 3.76 -0.48 -4.96 115.29 115.82 2kvt s HIS 44 Ca -0.04 -0.33 0.24 0.00 -0.15 0.00 0.00 55.06 54.78 2kvt s HIS 44 Cb -0.14 -0.14 0.95 0.00 1.11 0.00 0.00 32.58 34.36 2kvt s HIS 44 CO -0.02 -0.11 1.76 -0.35 -0.85 0.00 0.00 174.74 175.16 2kvt n PRO 45 N 2.15 0.11 -4.96 8.40 -0.04 -1.26 -0.27 135.00 139.13 2kvt n PRO 45 Ca -0.19 0.18 -0.31 0.00 -0.04 0.00 0.00 63.50 63.14 2kvt n PRO 45 Cb 0.57 -1.65 -0.14 0.00 -0.04 0.00 0.00 33.50 32.23 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 -3.08 2.36 0.34 0.52 -4.23 -1.26 -4.72 115.64 105.55 2kvt s THR 46 Ca 0.10 -1.20 0.06 0.00 -1.18 0.00 0.00 61.69 59.47 2kvt s THR 46 Cb 0.14 -1.91 0.12 0.00 1.34 0.00 0.00 72.50 72.18 2kvt s THR 46 CO 0.47 0.44 1.82 0.00 -0.54 0.00 0.00 174.62 176.82 2kvt h ALA 47 N 4.98 1.31 -0.44 3.99 0.00 -1.94 -2.97 119.26 124.19 2kvt h ALA 47 Ca -0.46 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 54.25 2kvt h ALA 47 Cb 1.14 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 2kvt h ALA 47 CO 0.46 0.46 0.05 0.37 0.00 0.00 0.00 179.25 180.59 2kvt h GLN 48 N 0.33 0.17 -0.61 0.00 5.75 -1.98 0.22 115.11 118.99 2kvt h GLN 48 Ca 0.06 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 2kvt h GLN 48 Cb 0.51 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.99 2kvt h GLN 48 CO 0.03 0.11 0.28 0.93 -2.65 0.00 0.00 178.83 177.53 2kvt h GLU 49 N 0.17 0.90 -0.44 1.69 5.08 -1.93 -0.82 114.58 119.24 2kvt h GLU 49 Ca 0.22 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2kvt h GLU 49 Cb 0.29 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2kvt h GLU 49 CO -0.31 0.74 0.11 0.00 -1.00 0.00 0.00 179.01 178.54 2kvt h ALA 50 N 1.11 0.57 -0.52 3.43 0.00 -1.25 -1.52 119.26 121.09 2kvt h ALA 50 Ca 0.21 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2kvt h ALA 50 Cb 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2kvt h ALA 50 CO -0.02 0.26 -0.11 0.52 0.00 0.00 0.00 179.25 179.89 2kvt h MET 51 N 0.57 0.97 -0.76 0.00 2.86 -0.50 0.24 114.93 118.31 2kvt h MET 51 Ca 0.14 -0.35 -0.05 0.00 -2.06 0.00 0.00 59.70 57.37 2kvt h MET 51 Cb 0.32 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 2kvt h MET 51 CO 0.00 1.02 0.28 0.22 1.06 0.00 0.00 176.91 179.49 2kvt h ASP 52 N 0.86 1.07 0.55 1.22 3.58 -1.04 -2.32 116.42 120.35 2kvt h ASP 52 Ca 0.14 -0.19 -0.19 0.00 0.42 0.00 0.00 57.03 57.21 2kvt h ASP 52 Cb 0.66 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 2kvt h ASP 52 CO 0.05 0.97 -0.84 0.00 -2.88 0.00 0.00 179.24 176.54 2kvt h ALA 53 N 1.14 0.56 0.20 -0.78 0.00 -1.11 -3.23 119.26 116.05 2kvt h ALA 53 Ca 0.25 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2kvt h ALA 53 Cb 0.25 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2kvt h ALA 53 CO -0.02 0.89 -0.11 -0.22 0.00 0.00 0.00 179.25 179.79 2kvt h LYS 54 N 0.12 -0.28 -0.09 0.00 3.64 -0.26 -0.21 116.57 119.47 2kvt h LYS 54 Ca -0.04 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2kvt h LYS 54 Cb 1.45 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.33 2kvt h LYS 54 CO 0.13 -0.19 0.10 1.57 -2.27 0.00 0.00 179.45 178.79 2kvt h LYS 55 N -0.30 0.00 0.07 1.90 2.10 -1.52 -0.86 116.57 117.96 2kvt h LYS 55 Ca -0.02 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.47 2kvt h LYS 55 Cb 0.24 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.59 2kvt h LYS 55 CO 0.03 0.00 -0.67 -0.09 -2.00 0.00 0.00 179.45 176.72 2kvt h ARG 56 N 0.00 0.33 -0.34 0.07 2.43 -1.35 -3.26 114.38 112.25 2kvt h ARG 56 Ca 0.04 -0.45 -0.12 0.00 -0.81 0.00 0.00 59.98 58.65 2kvt h ARG 56 Cb 0.24 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 2kvt h ARG 56 CO -0.00 1.16 -0.28 -0.92 -1.51 0.00 0.00 179.97 178.42 2kvt h TYR 57 N -0.29 0.81 0.00 2.20 3.20 -0.55 -2.89 116.97 119.45 2kvt h TYR 57 Ca -0.10 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.56 2kvt h TYR 57 Cb 1.45 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.53 2kvt h TYR 57 CO 0.18 0.91 0.00 0.39 -1.64 0.00 0.00 178.16 178.00 2kvt n GLU 58 N -4.09 0.93 -3.60 1.82 1.02 -0.38 -4.48 120.64 111.87 2kvt n GLU 58 Ca -0.01 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 2kvt n GLU 58 Cb 0.46 -1.18 -0.08 0.00 -0.02 0.00 0.00 31.44 30.62 2kvt n GLU 58 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2kvt s ASP 59 N -0.68 5.70 -0.03 1.62 -1.08 -1.09 -4.72 116.67 116.38 2kvt s ASP 59 Ca 0.00 -2.58 0.07 0.00 -0.52 0.00 0.00 52.55 49.52 2kvt s ASP 59 Cb 0.00 -1.97 0.26 0.00 -1.46 0.00 0.00 42.92 39.75 2kvt s ASP 59 CO 0.00 -0.49 1.12 -0.81 0.52 0.00 0.00 175.17 175.51 2kvt n PRO 60 N 3.95 1.90 -0.07 4.34 -0.04 -1.26 -4.21 135.00 139.61 2kvt n PRO 60 Ca 0.05 -1.04 -0.12 0.00 -0.04 0.00 0.00 63.50 62.35 2kvt n PRO 60 Cb 0.41 -1.40 -0.06 0.00 -0.04 0.00 0.00 33.50 32.41 2kvt n PRO 60 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2kvt n ASP 61 N 0.28 2.10 -4.59 3.54 2.03 -1.26 -4.98 116.55 113.67 2kvt n ASP 61 Ca 0.10 0.04 -0.40 0.00 0.52 0.00 0.00 54.79 55.04 2kvt n ASP 61 Cb 0.35 -0.30 -0.08 0.00 -0.72 0.00 0.00 41.12 40.38 2kvt n ASP 61 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2kvt s LYS 62 N -2.26 3.85 0.19 -0.67 2.47 -1.26 -5.06 119.74 117.00 2kvt s LYS 62 Ca -0.18 0.06 0.08 0.00 -1.56 0.00 0.00 55.97 54.37 2kvt s LYS 62 Cb 0.06 -3.73 -0.04 0.00 -1.46 0.00 0.00 37.83 32.66 2kvt s LYS 62 CO 0.28 -0.48 -0.17 -1.83 0.16 0.00 0.00 175.35 173.31 2kvt s GLU 63 N 2.32 1.31 -0.04 4.03 -1.05 -1.26 -5.04 118.70 118.97 2kvt s GLU 63 Ca 0.19 -1.50 -0.10 0.00 -0.15 0.00 0.00 54.97 53.42 2kvt s GLU 63 Cb -0.16 -1.25 0.02 0.00 -0.44 0.00 0.00 34.13 32.30 2kvt s GLU 63 CO 0.11 0.24 0.22 -0.48 0.95 0.00 0.00 175.26 176.30 2kvt s LEU 64 N -2.97 1.20 -1.27 1.83 2.34 -1.26 -5.09 118.68 113.45 2kvt s LEU 64 Ca 0.19 0.14 -0.17 0.00 0.06 0.00 0.00 54.13 54.35 2kvt s LEU 64 Cb -0.04 0.88 0.09 0.00 -0.56 0.00 0.00 46.19 46.56 2kvt s LEU 64 CO 0.07 -0.27 1.67 -1.61 -1.06 0.00 0.00 176.35 175.15 2kvt s GLU 65 N -0.76 4.00 0.05 1.48 2.02 -1.26 -4.30 118.70 119.93 2kvt s GLU 65 Ca -0.08 -2.08 0.00 0.00 0.02 0.00 0.00 54.97 52.82 2kvt s GLU 65 Cb -0.05 -5.44 0.00 0.00 0.10 0.00 0.00 34.13 28.74 2kvt s GLU 65 CO 0.02 -2.16 0.00 0.72 0.02 0.00 0.00 175.26 173.86 2kvt n HIS 66 N 7.88 -0.37 -3.98 1.61 8.25 -1.26 -5.10 115.22 122.25 2kvt n HIS 66 Ca 0.46 0.06 -0.17 0.00 -0.26 0.00 0.00 57.72 57.81 2kvt n HIS 66 Cb 0.46 0.34 -0.16 0.00 1.12 0.00 0.00 29.99 31.74 2kvt n HIS 66 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kvt s HIS 67 N -2.00 0.37 -0.47 4.41 3.76 -1.26 -5.10 115.29 115.00 2kvt s HIS 67 Ca 0.00 -0.03 -0.27 0.00 -0.15 0.00 0.00 55.06 54.60 2kvt s HIS 67 Cb 0.00 -0.41 -0.03 0.00 1.11 0.00 0.00 32.58 33.25 2kvt s HIS 67 CO 0.00 -0.12 1.92 -1.58 -0.85 0.00 0.00 174.74 174.11 2kvt s HIS 68 N 0.86 1.62 0.00 1.40 2.46 -1.26 -4.85 115.29 115.52 2kvt s HIS 68 Ca -0.09 0.82 0.00 0.00 0.47 0.00 0.00 55.06 56.26 2kvt s HIS 68 Cb -0.12 -4.03 0.00 0.00 -0.13 0.00 0.00 32.58 28.30 2kvt s HIS 68 CO -0.01 -2.65 0.85 -2.39 -2.47 0.00 0.00 174.74 168.07 2kvt n HIS 69 N 12.18 0.00 -3.63 3.88 1.44 -1.26 -4.66 115.22 123.16 2kvt n HIS 69 Ca 0.24 -0.43 -0.14 0.00 -2.01 0.00 0.00 57.72 55.38 2kvt n HIS 69 Cb 0.50 -0.23 -0.07 0.00 0.12 0.00 0.00 29.99 30.31 2kvt n HIS 69 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kvt s HIS 70 N 0.17 -0.73 -2.71 -1.40 5.04 -1.26 -5.29 115.29 109.11 2kvt s HIS 70 Ca 0.00 1.73 0.26 0.00 -1.54 0.00 0.00 55.06 55.52 2kvt s HIS 70 Cb 0.00 0.27 0.68 0.00 0.04 0.00 0.00 32.58 33.57 2kvt s HIS 70 CO 0.00 -0.38 1.54 0.72 -2.34 0.00 0.00 174.74 174.28