#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 3.38 -1.23 3.17 -0.04 -1.26 -4.93 135.00 134.09 2kvt n PRO 2 Ca 0.00 -4.02 -0.26 0.00 -0.04 0.00 0.00 63.50 59.17 2kvt n PRO 2 Cb 0.00 -2.30 -0.09 0.00 -0.04 0.00 0.00 33.50 31.07 2kvt n PRO 2 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2kvt n THR 3 N -0.43 3.74 0.00 0.52 -2.24 -1.26 -4.27 114.28 110.35 2kvt n THR 3 Ca 0.48 -2.24 0.00 0.00 -2.27 0.00 0.00 64.05 60.02 2kvt n THR 3 Cb 0.34 -2.25 0.00 0.00 -2.10 0.00 0.00 70.33 66.32 2kvt n THR 3 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2kvt n LYS 4 N 2.83 0.00 -1.91 -0.78 4.81 -1.26 -5.18 118.16 116.67 2kvt n LYS 4 Ca 0.60 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.73 2kvt n LYS 4 Cb 0.55 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.62 2kvt n LYS 4 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2kvt s PRO 5 N 0.00 3.38 0.64 1.64 0.04 -1.26 -5.08 135.00 134.37 2kvt s PRO 5 Ca 0.00 0.96 -0.11 0.00 0.04 0.00 0.00 61.00 61.89 2kvt s PRO 5 Cb 0.00 -2.05 0.16 0.00 0.04 0.00 0.00 34.50 32.65 2kvt s PRO 5 CO 0.00 -0.74 0.51 -2.30 0.04 0.00 0.00 177.00 174.51 2kvt n PRO 6 N -2.49 -2.46 -2.14 0.56 -0.02 -1.26 -4.87 135.00 122.32 2kvt n PRO 6 Ca 0.07 -0.83 -0.02 0.00 -2.02 0.00 0.00 63.50 60.71 2kvt n PRO 6 Cb 0.54 -0.85 -0.01 0.00 -0.02 0.00 0.00 33.50 33.15 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 -3.88 -2.38 -2.06 6.00 9.36 -1.26 -5.05 117.16 117.88 2kvt n TYR 7 Ca 0.07 1.24 -0.28 0.00 3.32 0.00 0.00 57.90 62.25 2kvt n TYR 7 Cb 0.29 -2.88 0.06 0.00 -0.63 0.00 0.00 39.34 36.18 2kvt n TYR 7 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 2kvt s PRO 8 N -0.86 2.40 -0.04 2.98 0.04 -1.26 -5.11 135.00 133.15 2kvt s PRO 8 Ca -0.08 0.08 0.02 0.00 0.04 0.00 0.00 61.00 61.06 2kvt s PRO 8 Cb 0.01 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.48 2kvt s PRO 8 CO 0.44 -1.22 -0.10 -0.98 0.04 0.00 0.00 177.00 175.19 2kvt s ARG 9 N -5.34 1.25 -0.25 4.56 3.03 -1.26 -5.05 118.95 115.90 2kvt s ARG 9 Ca 0.59 -0.33 -0.02 0.00 2.03 0.00 0.00 55.73 57.99 2kvt s ARG 9 Cb -0.11 -1.11 0.13 0.00 -1.03 0.00 0.00 34.95 32.84 2kvt s ARG 9 CO 0.48 0.06 0.38 -2.00 -1.13 0.00 0.00 175.30 173.09 2kvt s GLU 10 N 0.45 0.35 0.25 3.89 2.56 -1.26 -5.06 118.70 119.89 2kvt s GLU 10 Ca -0.08 0.50 -0.04 0.00 0.00 0.00 0.00 54.97 55.34 2kvt s GLU 10 Cb -0.12 -0.49 -0.05 0.00 2.00 0.00 0.00 34.13 35.47 2kvt s GLU 10 CO 0.02 -0.67 0.51 0.00 -0.56 0.00 0.00 175.26 174.55 2kvt s ALA 11 N 2.54 3.67 0.05 6.30 0.00 -1.26 -4.43 121.76 128.63 2kvt s ALA 11 Ca 0.12 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 2kvt s ALA 11 Cb -0.15 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.70 2kvt s ALA 11 CO -0.17 0.34 0.00 1.52 0.00 0.00 0.00 175.76 177.46 2kvt s TYR 12 N -1.98 0.45 -0.13 0.00 -0.85 -0.07 -5.00 117.35 109.77 2kvt s TYR 12 Ca 0.43 -0.96 -0.08 0.00 -0.52 0.00 0.00 57.07 55.94 2kvt s TYR 12 Cb -0.11 -0.33 -0.04 0.00 0.38 0.00 0.00 41.96 41.86 2kvt s TYR 12 CO 0.29 -0.39 0.15 0.42 -1.52 0.00 0.00 175.55 174.49 2kvt s ILE 13 N -3.75 5.47 -0.17 -3.49 1.01 -1.26 -0.82 121.20 118.19 2kvt s ILE 13 Ca 0.05 0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.95 2kvt s ILE 13 Cb 0.06 -3.43 0.02 0.00 0.01 0.00 0.00 42.46 39.13 2kvt s ILE 13 CO -0.10 0.58 -0.20 -0.69 0.00 0.00 0.00 174.94 174.53 2kvt s VAL 14 N -0.76 2.07 -0.40 2.92 1.01 0.68 -4.92 120.40 121.00 2kvt s VAL 14 Ca 0.14 -0.95 -0.24 0.00 0.00 0.00 0.00 61.98 60.93 2kvt s VAL 14 Cb -0.12 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.42 2kvt s VAL 14 CO 0.03 0.54 0.83 0.42 0.00 0.00 0.00 175.10 176.92 2kvt s THR 15 N 1.18 4.65 0.49 3.92 -4.23 -1.26 -0.52 115.64 119.86 2kvt s THR 15 Ca 0.02 0.79 0.05 0.00 -1.18 0.00 0.00 61.69 61.37 2kvt s THR 15 Cb -0.14 -4.29 -0.00 0.00 1.34 0.00 0.00 72.50 69.41 2kvt s THR 15 CO -0.10 -0.59 0.22 0.27 -0.54 0.00 0.00 174.62 173.88 2kvt s ILE 16 N 3.32 1.72 -0.03 2.99 -4.36 -0.06 -4.98 121.20 119.79 2kvt s ILE 16 Ca 0.33 -1.70 -0.00 0.00 -0.26 0.00 0.00 60.65 59.02 2kvt s ILE 16 Cb -0.12 -2.41 0.03 0.00 1.25 0.00 0.00 42.46 41.20 2kvt s ILE 16 CO 0.20 0.00 0.02 -1.83 0.24 0.00 0.00 174.94 173.57 2kvt s GLU 17 N -4.05 0.18 0.27 0.37 -1.05 -1.26 -1.46 118.70 111.70 2kvt s GLU 17 Ca 0.28 0.14 0.10 0.00 -0.15 0.00 0.00 54.97 55.35 2kvt s GLU 17 Cb 0.01 -0.44 -0.05 0.00 -0.44 0.00 0.00 34.13 33.21 2kvt s GLU 17 CO 0.16 -0.17 -0.08 0.15 0.95 0.00 0.00 175.26 176.27 2kvt s LYS 18 N 1.20 2.06 0.00 -4.83 1.02 -0.74 -4.87 119.74 113.58 2kvt s LYS 18 Ca -0.07 -1.55 0.00 0.00 0.02 0.00 0.00 55.97 54.37 2kvt s LYS 18 Cb -0.13 -2.01 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 2kvt s LYS 18 CO -0.02 0.35 0.00 0.41 -0.92 0.00 0.00 175.35 175.17 2kvt n GLY 19 N -0.78 -0.69 3.85 -3.33 0.00 -1.26 -0.21 105.19 102.77 2kvt n GLY 19 Ca -0.06 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.74 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 3.87 0.35 1.61 1.02 -0.37 -4.87 119.74 121.35 2kvt s LYS 20 Ca 0.00 0.92 0.09 0.00 0.02 0.00 0.00 55.97 57.01 2kvt s LYS 20 Cb 0.00 -2.12 0.83 0.00 -0.52 0.00 0.00 37.83 36.02 2kvt s LYS 20 CO 0.00 -0.34 1.84 -1.00 -0.92 0.00 0.00 175.35 174.93 2kvt h PRO 21 N 0.67 0.66 0.04 -1.68 0.13 -2.01 -2.70 132.00 127.11 2kvt h PRO 21 Ca -0.46 -0.04 -0.16 0.00 -0.87 0.00 0.00 66.00 64.47 2kvt h PRO 21 Cb 1.19 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 2kvt h PRO 21 CO 0.61 0.44 -0.82 0.78 -0.23 0.00 0.00 178.00 178.79 2kvt h GLY 22 N 0.68 0.09 -7.65 1.56 0.00 -2.00 -3.41 103.07 92.34 2kvt h GLY 22 Ca 0.49 -0.24 -0.79 0.00 0.00 0.00 0.00 47.33 46.79 2kvt h GLY 22 CO -0.25 0.21 0.38 1.20 0.00 0.00 0.00 176.54 178.08 2kvt s GLN 23 N -2.34 4.01 0.17 4.80 -1.52 -1.04 -5.04 119.66 118.71 2kvt s GLN 23 Ca -0.22 -2.95 0.03 0.00 -1.95 0.00 0.00 55.36 50.27 2kvt s GLN 23 Cb 0.02 -4.54 -0.03 0.00 -0.22 0.00 0.00 33.01 28.23 2kvt s GLN 23 CO 0.69 -1.28 0.31 0.95 -0.25 0.00 0.00 175.29 175.70 2kvt s THR 24 N -0.67 5.30 -0.13 -0.19 -4.23 -1.10 -1.24 115.64 113.39 2kvt s THR 24 Ca 0.27 -0.71 0.01 0.00 -1.18 0.00 0.00 61.69 60.09 2kvt s THR 24 Cb -0.10 -3.77 -0.00 0.00 1.34 0.00 0.00 72.50 69.97 2kvt s THR 24 CO -0.08 -0.15 -0.18 -0.69 -0.54 0.00 0.00 174.62 172.98 2kvt s VAL 25 N -1.80 2.56 -0.27 2.29 1.01 0.71 -4.90 120.40 119.99 2kvt s VAL 25 Ca 0.35 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 2kvt s VAL 25 Cb -0.11 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 2kvt s VAL 25 CO 0.29 0.53 1.37 -0.89 0.00 0.00 0.00 175.10 176.40 2kvt s THR 26 N 0.54 4.05 -0.12 3.92 2.01 -1.26 -1.79 115.64 122.99 2kvt s THR 26 Ca -0.11 1.19 -0.00 0.00 0.31 0.00 0.00 61.69 63.08 2kvt s THR 26 Cb -0.16 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.28 2kvt s THR 26 CO 0.04 -0.41 -0.12 0.26 -0.69 0.00 0.00 174.62 173.70 2kvt s TRP 27 N 4.49 2.82 -0.35 4.92 0.52 -0.53 -4.73 118.94 126.08 2kvt s TRP 27 Ca 0.59 -0.55 -0.13 0.00 0.02 0.00 0.00 56.10 56.03 2kvt s TRP 27 Cb -0.19 -1.83 -0.01 0.00 -1.15 0.00 0.00 33.47 30.29 2kvt s TRP 27 CO 0.24 -0.15 0.24 0.71 0.02 0.00 0.00 176.95 178.01 2kvt s TYR 28 N 0.23 3.23 -0.26 -1.98 1.51 0.52 -0.88 117.35 119.71 2kvt s TYR 28 Ca -0.08 -0.36 -0.14 0.00 -1.01 0.00 0.00 57.07 55.47 2kvt s TYR 28 Cb -0.15 -2.48 -0.04 0.00 -0.11 0.00 0.00 41.96 39.18 2kvt s TYR 28 CO 0.05 -0.43 0.34 -0.65 -1.11 0.00 0.00 175.55 173.75 2kvt s GLN 29 N 1.69 4.02 -0.53 -0.62 -0.21 0.32 -0.42 119.66 123.91 2kvt s GLN 29 Ca 0.05 -0.00 -0.26 0.00 0.02 0.00 0.00 55.36 55.17 2kvt s GLN 29 Cb -0.18 -3.64 0.03 0.00 1.00 0.00 0.00 33.01 30.22 2kvt s GLN 29 CO 0.10 -0.23 1.04 -1.17 -2.12 0.00 0.00 175.29 172.90 2kvt s LEU 30 N 1.94 3.82 0.35 2.90 2.96 -0.15 -0.23 118.68 130.27 2kvt s LEU 30 Ca 0.14 0.01 0.08 0.00 -0.22 0.00 0.00 54.13 54.14 2kvt s LEU 30 Cb -0.16 -3.11 -0.07 0.00 0.50 0.00 0.00 46.19 43.35 2kvt s LEU 30 CO 0.10 -1.27 -0.06 -0.13 -1.32 0.00 0.00 176.35 173.67 2kvt s ARG 31 N 4.27 1.82 0.06 1.98 0.52 -0.00 -0.36 118.95 127.24 2kvt s ARG 31 Ca 0.38 -1.96 -0.00 0.00 -0.52 0.00 0.00 55.73 53.63 2kvt s ARG 31 Cb -0.10 -1.60 -0.04 0.00 0.52 0.00 0.00 34.95 33.74 2kvt s ARG 31 CO 0.25 0.07 -0.04 0.00 0.02 0.00 0.00 175.30 175.60 2kvt s ALA 32 N -2.70 0.56 -0.33 2.13 0.00 -0.71 -0.89 121.76 119.82 2kvt s ALA 32 Ca 0.33 -1.16 0.20 0.00 0.00 0.00 0.00 51.96 51.34 2kvt s ALA 32 Cb 0.05 0.23 0.22 0.00 0.00 0.00 0.00 23.12 23.62 2kvt s ALA 32 CO 0.16 -0.31 1.51 -0.44 0.00 0.00 0.00 175.76 176.68 2kvt h ASP 33 N 3.32 0.00 -3.71 0.00 3.32 -1.82 -3.38 116.42 114.16 2kvt h ASP 33 Ca -0.34 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.03 2kvt h ASP 33 Cb 1.15 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.52 2kvt h ASP 33 CO 0.62 0.17 -0.73 -1.00 -1.72 0.00 0.00 179.24 176.58 2kvt s HIS 34 N -3.13 2.80 0.17 4.55 3.76 -1.26 -3.40 115.29 118.78 2kvt s HIS 34 Ca 0.05 -0.10 0.12 0.00 -0.15 0.00 0.00 55.06 54.99 2kvt s HIS 34 Cb 0.06 -1.57 0.29 0.00 1.11 0.00 0.00 32.58 32.47 2kvt s HIS 34 CO 0.70 0.34 1.56 -1.00 -0.85 0.00 0.00 174.74 175.49 2kvt h PRO 35 N 4.55 0.00 -5.10 8.40 0.13 -1.99 -3.45 132.00 134.54 2kvt h PRO 35 Ca -0.48 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.31 2kvt h PRO 35 Cb 1.16 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.15 2kvt h PRO 35 CO 0.52 0.62 -0.71 0.15 -0.23 0.00 0.00 178.00 178.35 2kvt s LYS 36 N -3.36 1.09 0.00 0.86 1.02 -1.22 -5.02 119.74 113.11 2kvt s LYS 36 Ca 0.00 -1.47 0.02 0.00 0.02 0.00 0.00 55.97 54.54 2kvt s LYS 36 Cb 0.11 -0.66 0.10 0.00 -0.52 0.00 0.00 37.83 36.87 2kvt s LYS 36 CO 0.75 0.07 0.94 -0.35 -0.92 0.00 0.00 175.35 175.84 2kvt n PRO 37 N -0.22 0.02 0.00 -1.68 -0.04 -1.25 -1.31 135.00 130.52 2kvt n PRO 37 Ca -0.10 0.33 0.13 0.00 -0.04 0.00 0.00 63.50 63.82 2kvt n PRO 37 Cb 0.61 -1.50 0.64 0.00 -0.04 0.00 0.00 33.50 33.20 2kvt n PRO 37 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kvt n ASP 38 N -1.35 0.00 -4.56 3.54 8.00 -1.26 -4.78 116.55 116.14 2kvt n ASP 38 Ca 0.01 0.10 -0.24 0.00 0.71 0.00 0.00 54.79 55.37 2kvt n ASP 38 Cb 0.02 -0.36 -0.05 0.00 -0.02 0.00 0.00 41.12 40.71 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 -2.71 4.64 -0.47 -2.24 0.01 -0.43 -4.92 113.70 107.58 2kvt s SER 39 Ca 0.21 -0.13 -0.15 0.00 1.31 0.00 0.00 55.95 57.19 2kvt s SER 39 Cb 0.18 -2.55 0.07 0.00 0.21 0.00 0.00 66.02 63.93 2kvt s SER 39 CO 0.43 -3.12 0.40 -0.22 0.41 0.00 0.00 173.24 171.13 2kvt s LEU 40 N 11.86 5.63 -0.03 2.44 2.96 -1.26 -1.74 118.68 138.54 2kvt s LEU 40 Ca 0.80 -1.34 -0.23 0.00 -0.22 0.00 0.00 54.13 53.15 2kvt s LEU 40 Cb -0.11 -2.18 -0.17 0.00 0.50 0.00 0.00 46.19 44.24 2kvt s LEU 40 CO 0.07 -0.65 1.01 0.40 -1.32 0.00 0.00 176.35 175.86 2kvt h ILE 41 N 5.76 0.88 -1.52 6.68 5.03 -1.05 -3.48 117.51 129.81 2kvt h ILE 41 Ca -0.28 -1.01 0.09 0.00 -0.12 0.00 0.00 64.86 63.54 2kvt h ILE 41 Cb 1.11 1.43 -0.23 0.00 -3.03 0.00 0.00 36.82 36.09 2kvt h ILE 41 CO 0.88 0.21 0.58 -0.94 -0.68 0.00 0.00 178.15 178.19 2kvt s SER 42 N -5.41 -0.34 -0.11 1.72 1.04 -1.19 -5.03 113.70 104.37 2kvt s SER 42 Ca -0.13 0.38 -0.06 0.00 0.48 0.00 0.00 55.95 56.62 2kvt s SER 42 Cb 0.01 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 2kvt s SER 42 CO 0.52 -0.31 0.13 -1.61 0.98 0.00 0.00 173.24 172.95 2kvt s GLU 43 N -1.07 3.40 -0.02 4.02 2.02 -1.26 -0.98 118.70 124.82 2kvt s GLU 43 Ca -0.01 -0.17 0.01 0.00 0.02 0.00 0.00 54.97 54.82 2kvt s GLU 43 Cb -0.01 -3.15 0.01 0.00 0.10 0.00 0.00 34.13 31.08 2kvt s GLU 43 CO 0.01 0.76 -0.03 -1.01 0.02 0.00 0.00 175.26 175.01 2kvt s HIS 44 N -1.05 0.41 -1.44 1.61 3.76 0.43 -4.99 115.29 114.01 2kvt s HIS 44 Ca 0.16 -0.07 0.24 0.00 -0.15 0.00 0.00 55.06 55.25 2kvt s HIS 44 Cb -0.12 -0.34 1.23 0.00 1.11 0.00 0.00 32.58 34.46 2kvt s HIS 44 CO 0.05 -0.06 1.81 -0.35 -0.85 0.00 0.00 174.74 175.34 2kvt n PRO 45 N 3.43 0.35 -4.11 8.40 -0.04 -1.26 -0.35 135.00 141.42 2kvt n PRO 45 Ca -0.18 0.06 -0.12 0.00 -0.04 0.00 0.00 63.50 63.22 2kvt n PRO 45 Cb 0.55 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.56 0.59 0.16 0.52 -4.23 -1.26 -4.80 115.64 104.07 2kvt s THR 46 Ca 0.23 -1.51 -0.11 0.00 -1.18 0.00 0.00 61.69 59.13 2kvt s THR 46 Cb 0.16 -1.14 0.03 0.00 1.34 0.00 0.00 72.50 72.89 2kvt s THR 46 CO 0.37 -0.64 1.60 0.00 -0.54 0.00 0.00 174.62 175.41 2kvt h ALA 47 N 3.73 0.71 -0.03 3.99 0.00 -1.97 -2.58 119.26 123.11 2kvt h ALA 47 Ca -0.35 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.27 2kvt h ALA 47 Cb 1.18 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2kvt h ALA 47 CO 0.53 0.56 -0.12 0.37 0.00 0.00 0.00 179.25 180.59 2kvt h GLN 48 N 0.82 -0.18 0.00 0.00 5.75 -1.98 0.14 115.11 119.66 2kvt h GLN 48 Ca 0.15 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.64 2kvt h GLN 48 Cb 0.57 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.16 2kvt h GLN 48 CO 0.03 -0.12 -0.06 0.93 -2.65 0.00 0.00 178.83 176.96 2kvt h GLU 49 N -0.19 0.00 -0.04 1.69 5.08 -1.96 0.21 114.58 119.37 2kvt h GLU 49 Ca 0.05 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 2kvt h GLU 49 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2kvt h GLU 49 CO -0.14 0.06 -0.20 0.00 -1.00 0.00 0.00 179.01 177.73 2kvt h ALA 50 N 1.94 0.08 -0.38 3.43 0.00 -0.97 -2.76 119.26 120.60 2kvt h ALA 50 Ca -0.00 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 2kvt h ALA 50 Cb 0.12 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2kvt h ALA 50 CO 0.01 0.05 -0.10 0.52 0.00 0.00 0.00 179.25 179.73 2kvt h MET 51 N -0.37 0.65 -0.01 0.00 2.86 -0.31 -0.11 114.93 117.65 2kvt h MET 51 Ca -0.01 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2kvt h MET 51 Cb 0.87 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.46 2kvt h MET 51 CO 0.04 0.74 0.00 0.22 1.06 0.00 0.00 176.91 178.97 2kvt h ASP 52 N 0.60 0.01 -0.74 1.22 3.58 -0.68 -2.05 116.42 118.36 2kvt h ASP 52 Ca 0.11 -0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.48 2kvt h ASP 52 Cb 0.53 -0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.54 2kvt h ASP 52 CO 0.03 0.03 0.28 0.00 -2.88 0.00 0.00 179.24 176.71 2kvt h ALA 53 N 0.98 1.09 -0.37 -0.78 0.00 -1.32 -2.56 119.26 116.30 2kvt h ALA 53 Ca 0.00 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.78 2kvt h ALA 53 Cb 0.03 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 2kvt h ALA 53 CO -0.00 0.64 0.04 -0.22 0.00 0.00 0.00 179.25 179.71 2kvt h LYS 54 N 1.09 0.14 -0.11 0.00 3.64 -0.75 0.31 116.57 120.88 2kvt h LYS 54 Ca 0.25 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 2kvt h LYS 54 Cb 0.23 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2kvt h LYS 54 CO -0.02 0.09 0.06 0.87 -2.27 0.00 0.00 179.45 178.19 2kvt h LYS 55 N 0.15 0.16 0.00 1.90 1.57 -1.26 -2.30 116.57 116.79 2kvt h LYS 55 Ca 0.18 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 2kvt h LYS 55 Cb 0.23 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2kvt h LYS 55 CO -0.27 0.18 -0.17 0.00 -0.57 0.00 0.00 179.45 178.63 2kvt h ARG 56 N 0.09 0.00 -0.09 3.15 3.08 -1.07 0.19 114.38 119.73 2kvt h ARG 56 Ca 0.04 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.03 2kvt h ARG 56 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2kvt h ARG 56 CO -0.01 0.17 -0.17 -0.92 -1.07 0.00 0.00 179.97 177.98 2kvt h TYR 57 N 0.00 0.34 0.00 3.04 3.20 -0.14 -3.22 116.97 120.19 2kvt h TYR 57 Ca -0.00 -0.12 -0.04 0.00 3.14 0.00 0.00 58.73 61.71 2kvt h TYR 57 Cb 0.40 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 2kvt h TYR 57 CO 0.00 0.77 -0.31 0.93 -1.64 0.00 0.00 178.16 177.91 2kvt h GLU 58 N -0.18 0.00 -2.89 1.82 5.08 -1.10 -3.37 114.58 113.94 2kvt h GLU 58 Ca 0.01 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 2kvt h GLU 58 Cb 0.74 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.58 2kvt h GLU 58 CO 0.04 0.15 -0.62 -0.25 -1.00 0.00 0.00 179.01 177.33 2kvt n ASP 59 N -3.08 2.74 -4.56 1.42 8.00 0.63 -5.05 116.55 116.65 2kvt n ASP 59 Ca 0.02 -3.16 -0.36 0.00 0.71 0.00 0.00 54.79 52.01 2kvt n ASP 59 Cb 0.60 -0.73 -0.04 0.00 -0.02 0.00 0.00 41.12 40.94 2kvt n ASP 59 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 2kvt s PRO 60 N -1.45 3.21 0.11 -0.24 0.02 -1.22 -4.57 135.00 130.86 2kvt s PRO 60 Ca 0.28 -0.95 0.19 0.00 0.02 0.00 0.00 61.00 60.54 2kvt s PRO 60 Cb -0.01 -5.27 -0.09 0.00 0.02 0.00 0.00 34.50 29.15 2kvt s PRO 60 CO -0.15 -2.74 0.89 -0.40 -0.33 0.00 0.00 177.00 174.27 2kvt n ASP 61 N 10.94 0.84 -4.68 2.53 5.75 -1.26 -4.96 116.55 125.71 2kvt n ASP 61 Ca 0.38 0.36 -0.29 0.00 -0.01 0.00 0.00 54.79 55.23 2kvt n ASP 61 Cb 0.49 0.28 0.15 0.00 -1.03 0.00 0.00 41.12 41.01 2kvt n ASP 61 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2kvt s LYS 62 N -3.09 0.91 0.53 0.11 2.47 -1.26 -5.03 119.74 114.39 2kvt s LYS 62 Ca -0.02 0.25 -0.18 0.00 -1.56 0.00 0.00 55.97 54.45 2kvt s LYS 62 Cb 0.09 -1.82 -0.06 0.00 -1.46 0.00 0.00 37.83 34.58 2kvt s LYS 62 CO 0.80 -2.35 1.05 -1.21 0.16 0.00 0.00 175.35 173.80 2kvt s GLU 63 N -5.30 3.59 0.48 4.03 0.41 -1.26 -5.03 118.70 115.62 2kvt s GLU 63 Ca 0.65 1.29 -0.20 0.00 -0.41 0.00 0.00 54.97 56.30 2kvt s GLU 63 Cb -0.14 -2.07 -0.09 0.00 -1.78 0.00 0.00 34.13 30.05 2kvt s GLU 63 CO 0.54 -0.60 1.02 -0.51 -0.49 0.00 0.00 175.26 175.22 2kvt s LEU 64 N -3.94 3.85 1.14 1.80 1.02 -1.26 -5.06 118.68 116.23 2kvt s LEU 64 Ca 0.66 1.88 -0.19 0.00 0.02 0.00 0.00 54.13 56.50 2kvt s LEU 64 Cb -0.16 -4.56 0.27 0.00 0.02 0.00 0.00 46.19 41.76 2kvt s LEU 64 CO 0.28 -0.72 1.20 -1.61 0.02 0.00 0.00 176.35 175.52 2kvt s GLU 65 N -3.25 -0.78 0.12 1.70 2.02 -1.26 -5.09 118.70 112.16 2kvt s GLU 65 Ca 0.66 -0.28 0.10 0.00 0.02 0.00 0.00 54.97 55.48 2kvt s GLU 65 Cb -0.15 -1.67 -0.04 0.00 0.10 0.00 0.00 34.13 32.37 2kvt s GLU 65 CO 0.19 -3.38 -0.26 -1.01 0.02 0.00 0.00 175.26 170.83 2kvt s HIS 66 N -3.35 2.35 0.00 1.61 3.76 -1.26 -4.78 115.29 113.62 2kvt s HIS 66 Ca 0.73 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 55.28 2kvt s HIS 66 Cb -0.06 -1.28 0.00 0.00 1.11 0.00 0.00 32.58 32.34 2kvt s HIS 66 CO 0.55 0.32 0.00 0.72 -0.85 0.00 0.00 174.74 175.48 2kvt n HIS 67 N 1.02 0.00 -1.58 1.40 8.25 -1.26 -4.89 115.22 118.15 2kvt n HIS 67 Ca -0.18 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.90 2kvt n HIS 67 Cb 0.53 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.61 2kvt n HIS 67 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kvt s HIS 68 N 0.00 1.11 -0.32 4.41 4.02 -1.26 -4.82 115.29 118.43 2kvt s HIS 68 Ca 0.00 1.26 0.03 0.00 1.02 0.00 0.00 55.06 57.37 2kvt s HIS 68 Cb 0.00 -3.69 0.43 0.00 -1.02 0.00 0.00 32.58 28.30 2kvt s HIS 68 CO 0.00 -2.98 1.53 -2.39 1.02 0.00 0.00 174.74 171.92 2kvt n HIS 69 N 14.64 1.83 -2.03 1.40 1.44 -1.26 -4.95 115.22 126.29 2kvt n HIS 69 Ca 0.34 -1.21 -0.41 0.00 -2.01 0.00 0.00 57.72 54.43 2kvt n HIS 69 Cb 0.52 -0.64 -0.02 0.00 0.12 0.00 0.00 29.99 29.97 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 -2.07 2.95 0.00 -1.40 5.04 -1.26 -5.28 115.29 113.27 2kvt s HIS 70 Ca 0.35 1.30 0.00 0.00 -1.54 0.00 0.00 55.06 55.18 2kvt s HIS 70 Cb 0.29 -3.77 0.00 0.00 0.04 0.00 0.00 32.58 29.14 2kvt s HIS 70 CO 0.07 -2.22 0.00 -2.39 -2.34 0.00 0.00 174.74 167.87