#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 1.09 -3.03 2.12 -0.04 -1.26 -4.87 135.00 129.01 2kvt n PRO 2 Ca 0.00 -2.13 -0.44 0.00 -0.04 0.00 0.00 63.50 60.89 2kvt n PRO 2 Cb 0.00 -3.66 -0.03 0.00 -0.04 0.00 0.00 33.50 29.76 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 12.15 4.82 -0.19 0.52 2.01 -1.26 -5.02 115.64 128.67 2kvt s THR 3 Ca 0.71 -1.34 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 2kvt s THR 3 Cb 0.00 -4.63 -0.06 0.00 0.01 0.00 0.00 72.50 67.82 2kvt s THR 3 CO 0.16 -1.32 2.19 2.29 -0.69 0.00 0.00 174.62 177.25 2kvt n LYS 4 N 6.30 2.02 -3.15 4.92 2.85 -1.26 -4.99 118.16 124.85 2kvt n LYS 4 Ca 0.08 0.59 -0.31 0.00 -1.05 0.00 0.00 58.31 57.61 2kvt n LYS 4 Cb 0.46 -3.15 -0.05 0.00 -0.65 0.00 0.00 35.03 31.64 2kvt n LYS 4 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2kvt s PRO 5 N 6.08 3.86 0.00 -1.58 0.04 -1.26 -4.98 135.00 137.16 2kvt s PRO 5 Ca 1.00 0.46 0.21 0.00 0.04 0.00 0.00 61.00 62.72 2kvt s PRO 5 Cb -0.39 -2.49 1.24 0.00 0.04 0.00 0.00 34.50 32.90 2kvt s PRO 5 CO 0.37 0.15 1.67 -0.35 0.04 0.00 0.00 177.00 178.88 2kvt n PRO 6 N -0.60 0.59 -3.88 0.56 -0.04 -1.26 -4.77 135.00 125.60 2kvt n PRO 6 Ca 0.02 0.02 -0.11 0.00 -0.04 0.00 0.00 63.50 63.39 2kvt n PRO 6 Cb 0.53 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 2kvt n PRO 6 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2kvt s TYR 7 N -2.13 0.04 -0.01 0.54 1.13 -1.26 -5.13 117.35 110.53 2kvt s TYR 7 Ca 0.30 -0.09 -0.30 0.00 -1.41 0.00 0.00 57.07 55.56 2kvt s TYR 7 Cb 0.15 -0.05 -0.06 0.00 -1.10 0.00 0.00 41.96 40.89 2kvt s TYR 7 CO 0.26 -0.22 1.63 -2.14 -2.51 0.00 0.00 175.55 172.57 2kvt s PRO 8 N -1.06 4.20 -0.82 -3.49 0.02 -1.26 -4.98 135.00 127.61 2kvt s PRO 8 Ca -0.12 2.21 -0.09 0.00 0.02 0.00 0.00 61.00 63.02 2kvt s PRO 8 Cb -0.06 -3.81 0.21 0.00 0.02 0.00 0.00 34.50 30.85 2kvt s PRO 8 CO 0.01 -0.78 0.73 -0.98 -0.33 0.00 0.00 177.00 175.65 2kvt s ARG 9 N 3.39 3.38 0.07 5.54 1.70 -1.26 -4.76 118.95 127.01 2kvt s ARG 9 Ca 0.73 -2.66 -0.15 0.00 -0.47 0.00 0.00 55.73 53.17 2kvt s ARG 9 Cb -0.35 -4.22 0.03 0.00 -0.57 0.00 0.00 34.95 29.84 2kvt s ARG 9 CO 0.30 -1.25 0.36 -1.83 -1.08 0.00 0.00 175.30 171.80 2kvt s GLU 10 N -0.23 0.92 0.37 3.89 -1.05 -1.26 -4.54 118.70 116.81 2kvt s GLU 10 Ca 0.20 -0.55 0.05 0.00 -0.15 0.00 0.00 54.97 54.53 2kvt s GLU 10 Cb -0.12 0.40 -0.03 0.00 -0.44 0.00 0.00 34.13 33.94 2kvt s GLU 10 CO -0.08 -0.32 0.19 0.00 0.95 0.00 0.00 175.26 176.01 2kvt s ALA 11 N -2.97 2.46 -0.05 -0.84 0.00 -1.26 -3.68 121.76 115.42 2kvt s ALA 11 Ca -0.02 -1.58 -0.06 0.00 0.00 0.00 0.00 51.96 50.31 2kvt s ALA 11 Cb 0.00 1.08 0.01 0.00 0.00 0.00 0.00 23.12 24.21 2kvt s ALA 11 CO -0.06 -0.48 0.15 1.52 0.00 0.00 0.00 175.76 176.89 2kvt s TYR 12 N -3.33 -0.14 -0.18 0.00 1.13 0.45 -4.96 117.35 110.33 2kvt s TYR 12 Ca 0.31 0.34 -0.18 0.00 -1.41 0.00 0.00 57.07 56.12 2kvt s TYR 12 Cb 0.02 0.04 -0.03 0.00 -1.10 0.00 0.00 41.96 40.89 2kvt s TYR 12 CO 0.20 -0.11 0.51 0.42 -2.51 0.00 0.00 175.55 174.06 2kvt s ILE 13 N -0.13 5.12 -0.15 -3.49 1.01 -1.26 -1.11 121.20 121.18 2kvt s ILE 13 Ca -0.02 0.97 -0.05 0.00 0.00 0.00 0.00 60.65 61.55 2kvt s ILE 13 Cb -0.02 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 2kvt s ILE 13 CO 0.00 0.21 0.02 -0.69 0.00 0.00 0.00 174.94 174.48 2kvt s VAL 14 N 1.41 4.40 -0.25 2.92 1.01 0.11 -4.95 120.40 125.05 2kvt s VAL 14 Ca 0.25 -0.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.87 2kvt s VAL 14 Cb -0.15 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 2kvt s VAL 14 CO 0.10 0.51 0.47 0.42 0.00 0.00 0.00 175.10 176.60 2kvt s THR 15 N 0.05 5.11 0.39 3.92 -4.23 -1.26 0.04 115.64 119.66 2kvt s THR 15 Ca 0.03 0.81 0.05 0.00 -1.18 0.00 0.00 61.69 61.39 2kvt s THR 15 Cb -0.13 -3.79 -0.06 0.00 1.34 0.00 0.00 72.50 69.86 2kvt s THR 15 CO 0.02 0.12 0.04 0.27 -0.54 0.00 0.00 174.62 174.53 2kvt s ILE 16 N 2.11 1.46 -0.04 2.99 -4.36 0.23 -4.99 121.20 118.60 2kvt s ILE 16 Ca 0.20 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.59 2kvt s ILE 16 Cb -0.16 -2.76 0.02 0.00 1.25 0.00 0.00 42.46 40.82 2kvt s ILE 16 CO 0.09 0.00 -0.02 -1.61 0.24 0.00 0.00 174.94 173.65 2kvt s GLU 17 N -3.80 0.57 0.49 0.37 2.02 -1.26 -0.83 118.70 116.26 2kvt s GLU 17 Ca 0.31 0.01 0.08 0.00 0.02 0.00 0.00 54.97 55.39 2kvt s GLU 17 Cb 0.08 -0.72 0.03 0.00 0.10 0.00 0.00 34.13 33.62 2kvt s GLU 17 CO 0.15 -0.15 0.52 0.15 0.02 0.00 0.00 175.26 175.95 2kvt s LYS 18 N 1.18 2.43 0.00 1.61 1.02 -0.28 -4.81 119.74 120.89 2kvt s LYS 18 Ca -0.07 -1.66 0.00 0.00 0.02 0.00 0.00 55.97 54.25 2kvt s LYS 18 Cb -0.14 -2.42 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 2kvt s LYS 18 CO -0.02 -0.50 0.00 0.41 -0.92 0.00 0.00 175.35 174.32 2kvt n GLY 19 N -1.83 1.06 3.88 -3.33 0.00 -1.26 0.18 105.19 103.89 2kvt n GLY 19 Ca 0.06 -1.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.17 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 3.22 -0.24 1.61 3.01 -0.17 -4.95 119.74 122.23 2kvt s LYS 20 Ca 0.00 -0.69 -0.33 0.00 -1.01 0.00 0.00 55.97 53.94 2kvt s LYS 20 Cb 0.00 -2.84 -0.09 0.00 -1.01 0.00 0.00 37.83 33.88 2kvt s LYS 20 CO 0.00 0.51 2.12 -2.30 0.51 0.00 0.00 175.35 176.19 2kvt n PRO 21 N -0.38 1.66 0.00 -1.68 -0.02 -1.26 -1.63 135.00 131.68 2kvt n PRO 21 Ca -0.07 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2kvt n PRO 21 Cb 0.54 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 2kvt n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kvt n GLY 22 N 5.71 2.54 3.02 -1.23 0.00 -1.26 -4.88 105.19 109.10 2kvt n GLY 22 Ca 0.33 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 4.09 -3.28 1.61 1.13 -0.65 -5.02 117.38 115.27 2kvt n GLN 23 Ca 0.00 -4.23 -0.18 0.00 -1.94 0.00 0.00 57.00 50.65 2kvt n GLN 23 Cb 0.00 -2.66 -0.00 0.00 0.11 0.00 0.00 30.24 27.69 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 -1.54 3.20 -0.10 5.09 -4.23 -1.17 -1.00 115.64 115.89 2kvt s THR 24 Ca 0.34 -1.10 0.01 0.00 -1.18 0.00 0.00 61.69 59.77 2kvt s THR 24 Cb 0.04 -3.10 0.02 0.00 1.34 0.00 0.00 72.50 70.80 2kvt s THR 24 CO 0.05 -0.05 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.27 2kvt s VAL 25 N -2.33 1.28 0.01 2.29 1.01 0.13 -4.92 120.40 117.87 2kvt s VAL 25 Ca 0.50 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 2kvt s VAL 25 Cb -0.08 -1.19 -0.06 0.00 0.00 0.00 0.00 36.38 35.04 2kvt s VAL 25 CO 0.31 0.40 1.49 -0.89 0.00 0.00 0.00 175.10 176.40 2kvt s THR 26 N 1.07 3.52 0.08 3.92 2.01 -1.26 -1.13 115.64 123.86 2kvt s THR 26 Ca -0.06 0.91 0.05 0.00 0.31 0.00 0.00 61.69 62.90 2kvt s THR 26 Cb -0.15 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 2kvt s THR 26 CO -0.02 -0.01 -0.14 0.26 -0.69 0.00 0.00 174.62 174.02 2kvt s TRP 27 N 2.58 1.26 -0.23 4.92 0.52 -0.01 -4.73 118.94 123.25 2kvt s TRP 27 Ca 0.67 -0.48 -0.00 0.00 0.02 0.00 0.00 56.10 56.31 2kvt s TRP 27 Cb -0.34 -0.70 0.03 0.00 -1.15 0.00 0.00 33.47 31.31 2kvt s TRP 27 CO 0.28 0.07 -0.10 0.71 0.02 0.00 0.00 176.95 177.93 2kvt s TYR 28 N -1.41 3.04 -0.47 -1.98 1.51 0.84 -0.60 117.35 118.28 2kvt s TYR 28 Ca -0.00 -1.74 -0.19 0.00 -1.01 0.00 0.00 57.07 54.13 2kvt s TYR 28 Cb -0.09 -2.00 0.04 0.00 -0.11 0.00 0.00 41.96 39.80 2kvt s TYR 28 CO 0.02 -0.78 0.58 -0.65 -1.11 0.00 0.00 175.55 173.62 2kvt s GLN 29 N 1.27 3.14 -0.37 -0.62 -0.21 0.11 -0.70 119.66 122.28 2kvt s GLN 29 Ca -0.01 -0.78 -0.29 0.00 0.02 0.00 0.00 55.36 54.31 2kvt s GLN 29 Cb -0.16 -4.04 0.01 0.00 1.00 0.00 0.00 33.01 29.81 2kvt s GLN 29 CO -0.07 -1.09 1.40 -1.17 -2.12 0.00 0.00 175.29 172.24 2kvt s LEU 30 N 2.53 3.68 0.00 2.90 2.96 -0.19 -0.71 118.68 129.85 2kvt s LEU 30 Ca 0.16 0.98 0.06 0.00 -0.22 0.00 0.00 54.13 55.11 2kvt s LEU 30 Cb -0.18 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 2kvt s LEU 30 CO 0.13 -1.33 -0.19 -0.13 -1.32 0.00 0.00 176.35 173.51 2kvt s ARG 31 N 4.73 2.20 -0.07 1.98 0.52 -0.27 0.11 118.95 128.15 2kvt s ARG 31 Ca 0.61 -0.89 0.00 0.00 -0.52 0.00 0.00 55.73 54.93 2kvt s ARG 31 Cb -0.15 -2.21 -0.03 0.00 0.52 0.00 0.00 34.95 33.08 2kvt s ARG 31 CO 0.30 0.57 -0.05 0.00 0.02 0.00 0.00 175.30 176.14 2kvt s ALA 32 N -0.80 3.06 0.21 2.13 0.00 -0.42 -0.41 121.76 125.53 2kvt s ALA 32 Ca 0.13 -0.88 0.32 0.00 0.00 0.00 0.00 51.96 51.53 2kvt s ALA 32 Cb -0.10 -1.28 1.38 0.00 0.00 0.00 0.00 23.12 23.12 2kvt s ALA 32 CO 0.03 0.58 2.00 0.22 0.00 0.00 0.00 175.76 178.58 2kvt h ASP 33 N 5.18 0.00 -4.07 0.00 3.58 -1.80 -3.28 116.42 116.04 2kvt h ASP 33 Ca -0.49 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 56.34 2kvt h ASP 33 Cb 1.18 0.00 -0.31 0.00 1.72 0.00 0.00 39.33 41.92 2kvt h ASP 33 CO 0.53 0.07 -0.86 -1.00 -2.88 0.00 0.00 179.24 175.10 2kvt s HIS 34 N -3.79 1.98 0.00 0.28 3.76 -1.26 -2.67 115.29 113.60 2kvt s HIS 34 Ca -0.00 -0.53 -0.25 0.00 -0.15 0.00 0.00 55.06 54.13 2kvt s HIS 34 Cb 0.10 -1.31 -0.18 0.00 1.11 0.00 0.00 32.58 32.30 2kvt s HIS 34 CO 0.56 -0.15 1.32 -1.35 -0.85 0.00 0.00 174.74 174.27 2kvt h PRO 35 N 6.04 -0.13 -6.03 8.40 0.11 -1.97 -3.48 132.00 134.94 2kvt h PRO 35 Ca -0.34 0.01 -0.68 0.00 0.11 0.00 0.00 66.00 65.10 2kvt h PRO 35 Cb 1.17 0.03 -0.18 0.00 0.11 0.00 0.00 31.00 32.13 2kvt h PRO 35 CO 0.48 0.22 -0.67 0.15 -0.21 0.00 0.00 178.00 177.97 2kvt s LYS 36 N -4.67 2.89 0.54 1.05 1.02 -1.24 -5.02 119.74 114.30 2kvt s LYS 36 Ca -0.15 -0.50 0.30 0.00 0.02 0.00 0.00 55.97 55.64 2kvt s LYS 36 Cb 0.02 -2.68 1.46 0.00 -0.52 0.00 0.00 37.83 36.12 2kvt s LYS 36 CO 0.63 0.65 1.92 -1.35 -0.92 0.00 0.00 175.35 176.27 2kvt h PRO 37 N 5.33 0.00 0.00 -1.68 0.11 -1.56 0.55 132.00 134.74 2kvt h PRO 37 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2kvt h PRO 37 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2kvt h PRO 37 CO 0.54 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.93 2kvt n ASP 38 N -4.27 0.00 -4.56 -2.05 5.75 -1.26 -4.14 116.55 106.03 2kvt n ASP 38 Ca 0.16 -1.54 -0.31 0.00 -0.01 0.00 0.00 54.79 53.08 2kvt n ASP 38 Cb 0.86 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.90 2kvt n ASP 38 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2kvt s SER 39 N -1.38 5.26 -0.27 -1.12 0.15 0.18 -4.94 113.70 111.59 2kvt s SER 39 Ca 0.14 -0.39 -0.29 0.00 0.70 0.00 0.00 55.95 56.12 2kvt s SER 39 Cb 0.06 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.81 2kvt s SER 39 CO 0.11 -2.56 1.52 -0.22 1.20 0.00 0.00 173.24 173.29 2kvt s LEU 40 N 9.46 3.84 -0.06 3.45 2.96 -1.26 -1.30 118.68 135.77 2kvt s LEU 40 Ca 0.67 1.42 -0.23 0.00 -0.22 0.00 0.00 54.13 55.77 2kvt s LEU 40 Cb -0.08 -3.53 -0.29 0.00 0.50 0.00 0.00 46.19 42.79 2kvt s LEU 40 CO 0.06 -1.26 0.91 0.40 -1.32 0.00 0.00 176.35 175.15 2kvt h ILE 41 N 6.17 1.56 -1.20 6.68 1.08 -0.69 -3.49 117.51 127.62 2kvt h ILE 41 Ca -0.31 -2.38 0.19 0.00 -0.39 0.00 0.00 64.86 61.97 2kvt h ILE 41 Cb 1.13 3.12 -0.27 0.00 -3.07 0.00 0.00 36.82 37.73 2kvt h ILE 41 CO 1.02 0.67 0.84 -0.94 -0.69 0.00 0.00 178.15 179.04 2kvt s SER 42 N -6.74 -0.13 -0.08 1.72 1.04 -1.18 -5.02 113.70 103.30 2kvt s SER 42 Ca -0.15 0.15 -0.12 0.00 0.48 0.00 0.00 55.95 56.31 2kvt s SER 42 Cb 0.00 0.12 -0.05 0.00 0.10 0.00 0.00 66.02 66.20 2kvt s SER 42 CO 0.80 -0.11 0.30 -1.61 0.98 0.00 0.00 173.24 173.59 2kvt s GLU 43 N -0.95 3.91 -0.02 4.02 2.02 -1.26 -1.02 118.70 125.40 2kvt s GLU 43 Ca 0.06 0.17 -0.04 0.00 0.02 0.00 0.00 54.97 55.18 2kvt s GLU 43 Cb -0.01 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.94 2kvt s GLU 43 CO -0.06 0.56 0.09 -1.01 0.02 0.00 0.00 175.26 174.86 2kvt s HIS 44 N -0.54 -0.03 -0.08 1.61 3.76 0.12 -4.99 115.29 115.14 2kvt s HIS 44 Ca 0.19 0.08 0.31 0.00 -0.15 0.00 0.00 55.06 55.48 2kvt s HIS 44 Cb -0.14 -0.01 1.16 0.00 1.11 0.00 0.00 32.58 34.70 2kvt s HIS 44 CO 0.08 -0.11 1.89 -1.00 -0.85 0.00 0.00 174.74 174.74 2kvt h PRO 45 N 5.50 0.00 -6.86 8.40 0.13 -1.85 0.24 132.00 137.55 2kvt h PRO 45 Ca -0.27 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.18 2kvt h PRO 45 Cb 1.20 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.12 2kvt h PRO 45 CO 0.44 0.00 -0.85 0.95 -0.23 0.00 0.00 178.00 178.30 2kvt s THR 46 N -3.54 2.39 0.30 1.56 -4.23 -1.26 -4.66 115.64 106.20 2kvt s THR 46 Ca 0.03 -1.71 0.05 0.00 -1.18 0.00 0.00 61.69 58.88 2kvt s THR 46 Cb 0.09 -2.07 0.06 0.00 1.34 0.00 0.00 72.50 71.92 2kvt s THR 46 CO 0.54 0.09 1.73 0.00 -0.54 0.00 0.00 174.62 176.44 2kvt h ALA 47 N 3.83 1.14 -0.19 3.99 0.00 -1.97 -2.93 119.26 123.14 2kvt h ALA 47 Ca -0.51 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.05 2kvt h ALA 47 Cb 1.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2kvt h ALA 47 CO 0.41 0.55 0.11 0.37 0.00 0.00 0.00 179.25 180.68 2kvt h GLN 48 N 0.30 0.22 -0.35 0.00 5.75 -1.98 0.10 115.11 119.15 2kvt h GLN 48 Ca 0.04 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 2kvt h GLN 48 Cb 0.71 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.19 2kvt h GLN 48 CO 0.05 0.14 0.04 0.93 -2.65 0.00 0.00 178.83 177.35 2kvt h GLU 49 N 0.22 0.53 -0.64 1.69 4.39 -1.96 0.32 114.58 119.13 2kvt h GLU 49 Ca 0.07 -0.10 -0.08 0.00 0.34 0.00 0.00 59.36 59.59 2kvt h GLU 49 Cb 0.00 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 2kvt h GLU 49 CO -0.04 0.53 0.07 0.00 -1.16 0.00 0.00 179.01 178.41 2kvt h ALA 50 N 1.54 0.85 -0.25 3.43 0.00 -1.24 -2.71 119.26 120.89 2kvt h ALA 50 Ca 0.12 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 2kvt h ALA 50 Cb 0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2kvt h ALA 50 CO 0.00 0.64 -0.24 0.52 0.00 0.00 0.00 179.25 180.18 2kvt h MET 51 N 0.99 0.46 0.14 0.00 2.86 -0.13 -0.87 114.93 118.40 2kvt h MET 51 Ca 0.19 -0.17 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2kvt h MET 51 Cb 0.48 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 2kvt h MET 51 CO 0.02 0.67 -0.18 0.22 1.06 0.00 0.00 176.91 178.70 2kvt h ASP 52 N 0.41 -0.50 0.21 1.22 1.82 -0.75 0.16 116.42 118.99 2kvt h ASP 52 Ca 0.06 0.05 -0.08 0.00 -0.39 0.00 0.00 57.03 56.68 2kvt h ASP 52 Cb 0.64 0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.82 2kvt h ASP 52 CO 0.05 -0.27 -0.31 0.00 -1.61 0.00 0.00 179.24 177.09 2kvt h ALA 53 N 0.42 1.31 -0.08 -0.78 0.00 -1.41 -1.85 119.26 116.87 2kvt h ALA 53 Ca 0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2kvt h ALA 53 Cb 0.37 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2kvt h ALA 53 CO -0.07 0.48 0.04 -0.22 0.00 0.00 0.00 179.25 179.47 2kvt h LYS 54 N 0.15 0.12 -0.65 0.00 3.64 -0.75 -0.95 116.57 118.13 2kvt h LYS 54 Ca 0.02 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2kvt h LYS 54 Cb 0.63 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.40 2kvt h LYS 54 CO 0.05 0.21 0.42 0.87 -2.27 0.00 0.00 179.45 178.73 2kvt h LYS 55 N 0.00 0.82 -0.89 1.90 6.56 -0.48 -0.42 116.57 124.06 2kvt h LYS 55 Ca 0.03 -0.05 0.03 0.00 -1.06 0.00 0.00 60.65 59.60 2kvt h LYS 55 Cb 0.13 -0.19 -0.05 0.00 -0.57 0.00 0.00 32.23 31.56 2kvt h LYS 55 CO -0.00 0.54 0.59 0.00 -2.06 0.00 0.00 179.45 178.52 2kvt h ARG 56 N 0.85 1.10 -0.67 3.15 3.08 -1.20 0.15 114.38 120.85 2kvt h ARG 56 Ca 0.25 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.16 2kvt h ARG 56 Cb -0.05 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 29.72 2kvt h ARG 56 CO -0.07 0.73 0.12 -0.92 -1.07 0.00 0.00 179.97 178.75 2kvt h TYR 57 N 1.13 1.15 -0.25 3.04 3.20 -0.47 -3.05 116.97 121.72 2kvt h TYR 57 Ca 0.35 -0.15 -0.14 0.00 3.14 0.00 0.00 58.73 61.93 2kvt h TYR 57 Cb -0.01 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 37.93 2kvt h TYR 57 CO -0.00 0.96 -0.40 0.93 -1.64 0.00 0.00 178.16 178.00 2kvt h GLU 58 N 1.02 0.60 -7.42 1.82 5.08 -0.11 -3.44 114.58 112.13 2kvt h GLU 58 Ca 0.20 -0.31 -0.49 0.00 -1.00 0.00 0.00 59.36 57.77 2kvt h GLU 58 Cb 0.42 0.01 0.07 0.00 0.50 0.00 0.00 28.75 29.75 2kvt h GLU 58 CO 0.01 0.90 0.38 -0.51 -1.00 0.00 0.00 179.01 178.79 2kvt s ASP 59 N -6.85 5.52 0.00 1.42 1.01 0.43 -4.94 116.67 113.25 2kvt s ASP 59 Ca -0.08 1.09 -0.03 0.00 0.71 0.00 0.00 52.55 54.24 2kvt s ASP 59 Cb 0.12 -1.93 -0.13 0.00 1.01 0.00 0.00 42.92 41.99 2kvt s ASP 59 CO 0.83 -1.27 2.30 -0.81 0.21 0.00 0.00 175.17 176.43 2kvt n PRO 60 N -2.93 1.19 0.03 8.23 -0.04 -1.26 -4.50 135.00 135.72 2kvt n PRO 60 Ca 0.06 -0.47 -0.13 0.00 -0.04 0.00 0.00 63.50 62.92 2kvt n PRO 60 Cb 0.57 -1.61 -0.09 0.00 -0.04 0.00 0.00 33.50 32.33 2kvt n PRO 60 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2kvt h ASP 61 N 3.16 -0.07 -3.67 3.54 3.58 -1.88 -3.45 116.42 117.63 2kvt h ASP 61 Ca 0.09 -0.33 -0.23 0.00 0.42 0.00 0.00 57.03 56.98 2kvt h ASP 61 Cb 0.96 0.02 -0.29 0.00 1.72 0.00 0.00 39.33 41.74 2kvt h ASP 61 CO 0.20 0.30 -0.64 -0.75 -2.88 0.00 0.00 179.24 175.46 2kvt s LYS 62 N -4.72 0.07 0.11 0.28 2.47 -1.26 -5.13 119.74 111.55 2kvt s LYS 62 Ca -0.15 0.16 -0.16 0.00 -1.56 0.00 0.00 55.97 54.26 2kvt s LYS 62 Cb 0.03 -0.04 -0.07 0.00 -1.46 0.00 0.00 37.83 36.29 2kvt s LYS 62 CO 0.64 -0.06 0.55 -1.83 0.16 0.00 0.00 175.35 174.81 2kvt s GLU 63 N 0.38 4.05 -0.00 4.03 -1.05 -1.26 -5.00 118.70 119.85 2kvt s GLU 63 Ca -0.03 0.57 0.18 0.00 -0.15 0.00 0.00 54.97 55.53 2kvt s GLU 63 Cb -0.04 -3.05 -0.19 0.00 -0.44 0.00 0.00 34.13 30.41 2kvt s GLU 63 CO -0.01 0.54 0.75 1.28 0.95 0.00 0.00 175.26 178.77 2kvt n LEU 64 N 1.16 0.84 -4.78 1.83 4.32 -1.26 -4.99 117.00 114.12 2kvt n LEU 64 Ca -0.08 -0.50 -0.37 0.00 -0.02 0.00 0.00 56.01 55.04 2kvt n LEU 64 Cb 0.51 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.25 2kvt n LEU 64 CO 0.42 0.21 0.61 -0.70 -1.22 0.00 0.00 177.39 176.70 2kvt s GLU 65 N -2.68 4.58 -0.38 3.23 2.56 -1.26 -5.05 118.70 119.70 2kvt s GLU 65 Ca 0.07 1.28 0.01 0.00 0.00 0.00 0.00 54.97 56.33 2kvt s GLU 65 Cb 0.13 -2.91 0.14 0.00 2.00 0.00 0.00 34.13 33.50 2kvt s GLU 65 CO 0.73 0.35 0.23 -1.01 -0.56 0.00 0.00 175.26 175.00 2kvt s HIS 66 N -1.51 1.05 0.01 5.30 3.76 -1.26 -5.11 115.29 117.53 2kvt s HIS 66 Ca 0.47 -1.88 0.03 0.00 -0.15 0.00 0.00 55.06 53.53 2kvt s HIS 66 Cb -0.20 -1.14 -0.01 0.00 1.11 0.00 0.00 32.58 32.34 2kvt s HIS 66 CO 0.25 -0.82 -0.08 -1.01 -0.85 0.00 0.00 174.74 172.23 2kvt s HIS 67 N 0.80 0.74 -0.35 1.40 3.76 -1.26 -5.14 115.29 115.24 2kvt s HIS 67 Ca 0.19 -0.21 -0.18 0.00 -0.15 0.00 0.00 55.06 54.72 2kvt s HIS 67 Cb -0.21 -0.47 -0.00 0.00 1.11 0.00 0.00 32.58 33.01 2kvt s HIS 67 CO -0.01 -0.02 0.49 -3.38 -0.85 0.00 0.00 174.74 170.97 2kvt s HIS 68 N -0.43 3.18 -1.84 1.40 -3.43 -1.26 -4.36 115.29 108.55 2kvt s HIS 68 Ca 0.01 0.15 0.00 0.00 -0.80 0.00 0.00 55.06 54.42 2kvt s HIS 68 Cb -0.05 -2.88 0.00 0.00 -1.43 0.00 0.00 32.58 28.22 2kvt s HIS 68 CO 0.00 -0.52 0.00 1.58 -2.00 0.00 0.00 174.74 173.80 2kvt n HIS 69 N 5.69 -0.37 -3.76 0.38 -0.00 -1.26 -4.94 115.22 110.95 2kvt n HIS 69 Ca -0.05 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.31 2kvt n HIS 69 Cb 0.49 -3.27 -0.06 0.00 -0.00 0.00 0.00 29.99 27.15 2kvt n HIS 69 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kvt s HIS 70 N -2.63 3.61 0.00 1.57 5.04 -1.26 -5.34 115.29 116.28 2kvt s HIS 70 Ca 0.00 0.63 0.00 0.00 -1.54 0.00 0.00 55.06 54.15 2kvt s HIS 70 Cb 0.00 -2.02 0.00 0.00 0.04 0.00 0.00 32.58 30.60 2kvt s HIS 70 CO 0.00 0.67 0.00 -2.39 -2.34 0.00 0.00 174.74 170.68