#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 2.58 0.11 0.03 0.02 -1.26 -4.97 135.00 131.52 2kvt s PRO 2 Ca 0.00 1.49 -0.21 0.00 0.02 0.00 0.00 61.00 62.30 2kvt s PRO 2 Cb 0.00 -4.46 -0.07 0.00 0.02 0.00 0.00 34.50 29.99 2kvt s PRO 2 CO 0.00 -2.73 0.64 0.95 -0.33 0.00 0.00 177.00 175.53 2kvt s THR 3 N 10.17 4.62 -0.22 0.99 -4.23 -1.26 -5.08 115.64 120.63 2kvt s THR 3 Ca 0.93 1.36 -0.03 0.00 -1.18 0.00 0.00 61.69 62.76 2kvt s THR 3 Cb -0.22 -3.97 0.10 0.00 1.34 0.00 0.00 72.50 69.76 2kvt s THR 3 CO 0.29 0.52 0.25 -1.59 -0.54 0.00 0.00 174.62 173.55 2kvt s LYS 4 N -1.18 0.23 0.30 3.99 0.00 -1.26 -5.16 119.74 116.66 2kvt s LYS 4 Ca 0.32 0.20 -0.13 0.00 0.00 0.00 0.00 55.97 56.36 2kvt s LYS 4 Cb -0.20 -1.03 -0.08 0.00 0.00 0.00 0.00 37.83 36.51 2kvt s LYS 4 CO 0.21 -0.71 0.68 -1.25 0.00 0.00 0.00 175.35 174.28 2kvt s PRO 5 N 2.36 3.92 0.74 1.78 0.04 -1.26 -5.07 135.00 137.51 2kvt s PRO 5 Ca 0.08 0.52 -0.15 0.00 0.04 0.00 0.00 61.00 61.49 2kvt s PRO 5 Cb -0.15 -2.50 0.01 0.00 0.04 0.00 0.00 34.50 31.90 2kvt s PRO 5 CO -0.16 0.19 0.88 -2.30 0.04 0.00 0.00 177.00 175.65 2kvt n PRO 6 N -0.38 0.38 -1.86 0.56 -0.02 -1.26 -4.91 135.00 127.51 2kvt n PRO 6 Ca 0.02 0.19 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 2kvt n PRO 6 Cb 0.53 -2.15 -0.02 0.00 -0.02 0.00 0.00 33.50 31.84 2kvt n PRO 6 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2kvt s TYR 7 N -1.90 2.93 -0.26 6.00 1.13 -1.26 -4.96 117.35 119.03 2kvt s TYR 7 Ca 0.71 0.67 -0.29 0.00 -1.41 0.00 0.00 57.07 56.75 2kvt s TYR 7 Cb -0.33 -4.00 -0.01 0.00 -1.10 0.00 0.00 41.96 36.52 2kvt s TYR 7 CO 0.53 -3.55 1.33 -1.25 -2.51 0.00 0.00 175.55 170.10 2kvt s PRO 8 N 0.44 3.97 0.53 -3.49 0.04 -1.26 -5.02 135.00 130.21 2kvt s PRO 8 Ca 0.67 1.38 -0.17 0.00 0.04 0.00 0.00 61.00 62.93 2kvt s PRO 8 Cb -0.46 -3.88 -0.07 0.00 0.04 0.00 0.00 34.50 30.14 2kvt s PRO 8 CO 0.38 -1.06 1.01 -0.98 0.04 0.00 0.00 177.00 176.39 2kvt s ARG 9 N 4.09 3.77 0.21 4.56 1.70 -1.26 -5.09 118.95 126.93 2kvt s ARG 9 Ca 0.58 1.05 0.03 0.00 -0.47 0.00 0.00 55.73 56.92 2kvt s ARG 9 Cb -0.19 -2.10 -0.05 0.00 -0.57 0.00 0.00 34.95 32.04 2kvt s ARG 9 CO 0.22 -0.43 0.01 -1.83 -1.08 0.00 0.00 175.30 172.19 2kvt s GLU 10 N -4.01 1.27 0.39 3.89 -1.05 -1.26 -4.58 118.70 113.34 2kvt s GLU 10 Ca 0.61 -1.63 0.05 0.00 -0.15 0.00 0.00 54.97 53.84 2kvt s GLU 10 Cb -0.12 -0.47 -0.06 0.00 -0.44 0.00 0.00 34.13 33.04 2kvt s GLU 10 CO 0.32 -0.12 0.04 0.00 0.95 0.00 0.00 175.26 176.45 2kvt s ALA 11 N -3.52 2.94 0.07 -0.84 0.00 -1.26 -4.70 121.76 114.44 2kvt s ALA 11 Ca 0.28 -1.86 -0.10 0.00 0.00 0.00 0.00 51.96 50.28 2kvt s ALA 11 Cb 0.06 0.41 0.00 0.00 0.00 0.00 0.00 23.12 23.59 2kvt s ALA 11 CO 0.07 -0.21 0.21 1.52 0.00 0.00 0.00 175.76 177.36 2kvt s TYR 12 N -3.02 0.08 -0.14 0.00 -0.85 -0.36 -5.03 117.35 108.03 2kvt s TYR 12 Ca 0.31 -0.40 -0.08 0.00 -0.52 0.00 0.00 57.07 56.38 2kvt s TYR 12 Cb 0.08 -0.02 -0.04 0.00 0.38 0.00 0.00 41.96 42.35 2kvt s TYR 12 CO 0.15 -0.50 0.13 0.42 -1.52 0.00 0.00 175.55 174.22 2kvt s ILE 13 N -3.26 5.41 -0.14 -3.49 1.01 -1.26 -1.17 121.20 118.30 2kvt s ILE 13 Ca 0.00 0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.84 2kvt s ILE 13 Cb 0.02 -3.38 -0.00 0.00 0.01 0.00 0.00 42.46 39.10 2kvt s ILE 13 CO -0.08 0.57 -0.17 -0.69 0.00 0.00 0.00 174.94 174.57 2kvt s VAL 14 N -0.64 2.55 -0.36 2.92 1.01 0.75 -4.96 120.40 121.67 2kvt s VAL 14 Ca 0.13 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 61.11 2kvt s VAL 14 Cb -0.12 -2.05 -0.00 0.00 0.00 0.00 0.00 36.38 34.21 2kvt s VAL 14 CO 0.02 0.53 0.46 0.42 0.00 0.00 0.00 175.10 176.53 2kvt s THR 15 N 0.60 5.07 0.42 3.92 -4.23 -1.26 -0.20 115.64 119.96 2kvt s THR 15 Ca -0.10 0.17 0.05 0.00 -1.18 0.00 0.00 61.69 60.63 2kvt s THR 15 Cb -0.16 -3.93 -0.06 0.00 1.34 0.00 0.00 72.50 69.69 2kvt s THR 15 CO 0.03 -0.21 0.02 0.27 -0.54 0.00 0.00 174.62 174.19 2kvt s ILE 16 N 2.26 1.65 0.07 2.99 -4.36 0.02 -4.99 121.20 118.84 2kvt s ILE 16 Ca 0.16 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.61 2kvt s ILE 16 Cb -0.16 -2.76 -0.03 0.00 1.25 0.00 0.00 42.46 40.76 2kvt s ILE 16 CO 0.13 0.00 -0.16 -1.61 0.24 0.00 0.00 174.94 173.54 2kvt s GLU 17 N -3.77 0.94 0.21 0.37 8.01 -1.26 -0.28 118.70 122.92 2kvt s GLU 17 Ca 0.28 -0.96 0.02 0.00 0.01 0.00 0.00 54.97 54.32 2kvt s GLU 17 Cb 0.08 -1.02 -0.05 0.00 -4.31 0.00 0.00 34.13 28.83 2kvt s GLU 17 CO 0.14 0.24 0.04 0.15 0.01 0.00 0.00 175.26 175.84 2kvt s LYS 18 N -1.62 1.26 0.00 1.61 1.02 -0.17 -4.92 119.74 116.92 2kvt s LYS 18 Ca 0.01 -1.64 0.00 0.00 0.02 0.00 0.00 55.97 54.36 2kvt s LYS 18 Cb -0.09 -0.32 0.00 0.00 -0.52 0.00 0.00 37.83 36.90 2kvt s LYS 18 CO 0.02 -0.19 0.00 0.41 -0.92 0.00 0.00 175.35 174.68 2kvt n GLY 19 N -0.35 0.74 3.78 -3.33 0.00 -1.26 -0.47 105.19 104.29 2kvt n GLY 19 Ca -0.04 -1.70 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 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 4.60 -0.19 1.61 -0.14 -1.17 -4.97 119.74 119.48 2kvt s LYS 20 Ca 0.00 1.28 -0.35 0.00 -1.36 0.00 0.00 55.97 55.54 2kvt s LYS 20 Cb 0.00 -2.97 -0.12 0.00 -1.68 0.00 0.00 37.83 33.06 2kvt s LYS 20 CO 0.00 0.38 1.96 -2.30 -0.76 0.00 0.00 175.35 174.63 2kvt n PRO 21 N 0.90 1.75 0.00 -1.68 -0.02 -1.26 -2.52 135.00 132.17 2kvt n PRO 21 Ca -0.00 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2kvt n PRO 21 Cb 0.49 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 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 4.98 2.05 3.20 -1.23 0.00 -1.26 -4.88 105.19 108.05 2kvt n GLY 22 Ca 0.28 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 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 3.09 -3.96 1.61 1.13 -1.05 -4.95 117.38 113.25 2kvt n GLN 23 Ca 0.00 -3.05 -0.22 0.00 -1.94 0.00 0.00 57.00 51.79 2kvt n GLN 23 Cb 0.00 -3.37 -0.05 0.00 0.11 0.00 0.00 30.24 26.94 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 3.50 3.56 -0.17 5.09 -4.23 -1.22 -3.07 115.64 119.11 2kvt s THR 24 Ca 0.50 -1.49 -0.03 0.00 -1.18 0.00 0.00 61.69 59.49 2kvt s THR 24 Cb 0.08 -3.15 -0.02 0.00 1.34 0.00 0.00 72.50 70.75 2kvt s THR 24 CO 0.00 -0.22 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.13 2kvt s VAL 25 N -2.31 3.70 -0.26 2.29 1.01 0.38 -4.89 120.40 120.32 2kvt s VAL 25 Ca 0.38 -0.42 -0.27 0.00 0.00 0.00 0.00 61.98 61.68 2kvt s VAL 25 Cb -0.05 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.70 2kvt s VAL 25 CO 0.25 0.48 0.96 -0.89 0.00 0.00 0.00 175.10 175.89 2kvt s THR 26 N 0.62 4.70 0.09 3.92 2.01 -1.26 -1.00 115.64 124.72 2kvt s THR 26 Ca -0.03 1.73 0.05 0.00 0.31 0.00 0.00 61.69 63.75 2kvt s THR 26 Cb -0.15 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 2kvt s THR 26 CO 0.02 -0.22 -0.04 0.26 -0.69 0.00 0.00 174.62 173.95 2kvt s TRP 27 N 3.16 2.90 -0.29 4.92 0.52 0.61 -4.86 118.94 125.91 2kvt s TRP 27 Ca 0.40 -0.07 -0.05 0.00 0.02 0.00 0.00 56.10 56.40 2kvt s TRP 27 Cb -0.14 -1.51 0.02 0.00 -1.15 0.00 0.00 33.47 30.68 2kvt s TRP 27 CO 0.09 0.45 0.04 0.71 0.02 0.00 0.00 176.95 178.27 2kvt s TYR 28 N -1.25 3.13 -0.25 -1.98 1.51 0.13 -0.80 117.35 117.85 2kvt s TYR 28 Ca 0.23 -1.16 -0.15 0.00 -1.01 0.00 0.00 57.07 54.99 2kvt s TYR 28 Cb -0.11 -2.20 -0.04 0.00 -0.11 0.00 0.00 41.96 39.49 2kvt s TYR 28 CO 0.16 -0.62 0.37 -0.65 -1.11 0.00 0.00 175.55 173.69 2kvt s GLN 29 N 1.45 4.06 -0.47 -0.62 -0.21 0.72 -0.73 119.66 123.85 2kvt s GLN 29 Ca 0.02 0.06 -0.27 0.00 0.02 0.00 0.00 55.36 55.19 2kvt s GLN 29 Cb -0.17 -3.62 0.03 0.00 1.00 0.00 0.00 33.01 30.25 2kvt s GLN 29 CO 0.01 -0.20 1.01 -1.17 -2.12 0.00 0.00 175.29 172.82 2kvt s LEU 30 N 1.83 3.85 0.27 2.90 2.96 0.02 -0.18 118.68 130.33 2kvt s LEU 30 Ca 0.16 0.24 0.09 0.00 -0.22 0.00 0.00 54.13 54.40 2kvt s LEU 30 Cb -0.15 -3.33 -0.05 0.00 0.50 0.00 0.00 46.19 43.15 2kvt s LEU 30 CO 0.09 -1.14 -0.13 -0.13 -1.32 0.00 0.00 176.35 173.72 2kvt s ARG 31 N 4.06 1.57 0.32 1.98 0.52 -0.32 -0.44 118.95 126.65 2kvt s ARG 31 Ca 0.41 -1.75 0.07 0.00 -0.52 0.00 0.00 55.73 53.94 2kvt s ARG 31 Cb -0.09 -1.41 -0.02 0.00 0.52 0.00 0.00 34.95 33.95 2kvt s ARG 31 CO 0.29 0.18 0.29 0.00 0.02 0.00 0.00 175.30 176.07 2kvt n ALA 32 N -0.57 0.59 0.84 2.13 0.00 -1.00 -1.22 120.51 121.29 2kvt n ALA 32 Ca -0.06 -1.84 0.10 0.00 0.00 0.00 0.00 53.44 51.64 2kvt n ALA 32 Cb 0.62 1.49 0.07 0.00 0.00 0.00 0.00 19.45 21.62 2kvt n ALA 32 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kvt n ASP 33 N -1.73 2.51 -4.13 0.00 8.00 -1.26 -3.89 116.55 116.05 2kvt n ASP 33 Ca 0.07 -1.75 -0.29 0.00 0.71 0.00 0.00 54.79 53.52 2kvt n ASP 33 Cb 0.58 0.10 -0.17 0.00 -0.02 0.00 0.00 41.12 41.61 2kvt n ASP 33 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2kvt s HIS 34 N -1.79 2.10 -0.69 1.24 3.76 -1.26 -3.26 115.29 115.38 2kvt s HIS 34 Ca 0.22 -0.85 0.26 0.00 -0.15 0.00 0.00 55.06 54.54 2kvt s HIS 34 Cb 0.17 -1.45 0.83 0.00 1.11 0.00 0.00 32.58 33.24 2kvt s HIS 34 CO 0.30 -0.37 1.77 -0.35 -0.85 0.00 0.00 174.74 175.23 2kvt n PRO 35 N 3.70 0.26 -4.51 8.40 -0.04 -1.26 -4.90 135.00 136.64 2kvt n PRO 35 Ca -0.21 0.24 -0.22 0.00 -0.04 0.00 0.00 63.50 63.28 2kvt n PRO 35 Cb 0.52 -1.82 -0.14 0.00 -0.04 0.00 0.00 33.50 32.02 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 -3.13 1.07 0.55 0.54 -0.14 -1.20 -5.03 119.74 112.40 2kvt s LYS 36 Ca 0.10 -0.68 0.26 0.00 -1.36 0.00 0.00 55.97 54.29 2kvt s LYS 36 Cb 0.12 -1.08 1.44 0.00 -1.68 0.00 0.00 37.83 36.63 2kvt s LYS 36 CO 0.57 0.28 1.99 -1.35 -0.76 0.00 0.00 175.35 176.09 2kvt h PRO 37 N 5.27 0.00 -0.65 -1.68 0.11 -1.70 0.11 132.00 133.46 2kvt h PRO 37 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2kvt h PRO 37 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2kvt h PRO 37 CO 0.46 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.78 2kvt n ASP 38 N -4.21 2.70 -4.55 -2.05 2.03 -1.26 -4.58 116.55 104.62 2kvt n ASP 38 Ca 0.09 -2.28 -0.32 0.00 0.52 0.00 0.00 54.79 52.80 2kvt n ASP 38 Cb 0.59 -0.46 -0.04 0.00 -0.72 0.00 0.00 41.12 40.49 2kvt n ASP 38 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2kvt s SER 39 N -0.57 4.88 -0.51 1.67 1.04 0.37 -4.93 113.70 115.66 2kvt s SER 39 Ca 0.24 0.19 -0.24 0.00 0.48 0.00 0.00 55.95 56.63 2kvt s SER 39 Cb 0.16 -2.53 0.04 0.00 0.10 0.00 0.00 66.02 63.79 2kvt s SER 39 CO 0.10 -2.78 0.87 -0.22 0.98 0.00 0.00 173.24 172.19 2kvt s LEU 40 N 10.75 4.19 -0.06 2.42 2.96 -1.26 -2.37 118.68 135.31 2kvt s LEU 40 Ca 0.78 -0.25 -0.21 0.00 -0.22 0.00 0.00 54.13 54.22 2kvt s LEU 40 Cb -0.12 -2.90 -0.16 0.00 0.50 0.00 0.00 46.19 43.51 2kvt s LEU 40 CO 0.15 -1.09 0.86 0.40 -1.32 0.00 0.00 176.35 175.34 2kvt h ILE 41 N 6.01 0.93 -1.82 6.68 1.08 -1.11 -3.48 117.51 125.79 2kvt h ILE 41 Ca -0.25 -1.22 -0.00 0.00 -0.39 0.00 0.00 64.86 62.99 2kvt h ILE 41 Cb 1.08 1.58 -0.21 0.00 -3.07 0.00 0.00 36.82 36.20 2kvt h ILE 41 CO 1.03 0.25 0.33 -0.44 -0.69 0.00 0.00 178.15 178.64 2kvt s SER 42 N -5.55 -0.54 -0.25 1.72 0.01 -1.23 -5.02 113.70 102.84 2kvt s SER 42 Ca -0.13 0.60 -0.06 0.00 1.31 0.00 0.00 55.95 57.66 2kvt s SER 42 Cb 0.00 0.45 -0.02 0.00 0.21 0.00 0.00 66.02 66.66 2kvt s SER 42 CO 0.49 -0.50 0.04 -1.61 0.41 0.00 0.00 173.24 172.07 2kvt s GLU 43 N -1.15 3.49 0.10 12.44 2.02 -1.26 -0.80 118.70 133.53 2kvt s GLU 43 Ca -0.07 -0.58 0.06 0.00 0.02 0.00 0.00 54.97 54.40 2kvt s GLU 43 Cb -0.00 -3.24 -0.03 0.00 0.10 0.00 0.00 34.13 30.96 2kvt s GLU 43 CO 0.07 -0.23 -0.17 -1.01 0.02 0.00 0.00 175.26 173.94 2kvt s HIS 44 N 1.56 1.48 0.22 1.61 3.76 0.09 -4.95 115.29 119.06 2kvt s HIS 44 Ca 0.06 -0.46 0.06 0.00 -0.15 0.00 0.00 55.06 54.56 2kvt s HIS 44 Cb -0.15 -0.81 0.20 0.00 1.11 0.00 0.00 32.58 32.93 2kvt s HIS 44 CO 0.01 0.14 1.52 -1.00 -0.85 0.00 0.00 174.74 174.56 2kvt h PRO 45 N 4.02 0.15 -6.57 8.40 0.13 -1.89 0.40 132.00 136.64 2kvt h PRO 45 Ca -0.43 -0.12 -0.65 0.00 -0.87 0.00 0.00 66.00 63.93 2kvt h PRO 45 Cb 1.19 0.03 -0.16 0.00 0.13 0.00 0.00 31.00 32.18 2kvt h PRO 45 CO 0.42 0.78 -0.76 0.95 -0.23 0.00 0.00 178.00 179.17 2kvt s THR 46 N -3.55 3.06 0.49 1.56 -4.23 -1.26 -4.63 115.64 107.08 2kvt s THR 46 Ca -0.03 -1.55 0.16 0.00 -1.18 0.00 0.00 61.69 59.09 2kvt s THR 46 Cb 0.12 -2.46 0.24 0.00 1.34 0.00 0.00 72.50 71.73 2kvt s THR 46 CO 0.80 0.00 2.09 0.00 -0.54 0.00 0.00 174.62 176.97 2kvt h ALA 47 N 3.34 1.87 0.08 3.99 0.00 -1.98 -2.31 119.26 124.25 2kvt h ALA 47 Ca -0.48 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2kvt h ALA 47 Cb 1.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2kvt h ALA 47 CO 0.51 0.09 -0.08 0.37 0.00 0.00 0.00 179.25 180.14 2kvt h GLN 48 N 0.00 -0.17 -0.08 0.00 5.75 -1.99 0.26 115.11 118.90 2kvt h GLN 48 Ca -0.00 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.48 2kvt h GLN 48 Cb 0.13 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 2kvt h GLN 48 CO 0.01 -0.11 -0.10 0.93 -2.65 0.00 0.00 178.83 176.91 2kvt h GLU 49 N -0.17 0.11 -0.03 1.69 4.39 -1.86 -0.91 114.58 117.80 2kvt h GLU 49 Ca 0.00 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 2kvt h GLU 49 Cb 0.16 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2kvt h GLU 49 CO -0.02 0.22 -0.17 0.00 -1.16 0.00 0.00 179.01 177.88 2kvt h ALA 50 N 1.79 0.06 -0.47 3.43 0.00 -1.07 -3.18 119.26 119.82 2kvt h ALA 50 Ca 0.02 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 2kvt h ALA 50 Cb 0.25 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2kvt h ALA 50 CO 0.01 0.02 0.11 0.52 0.00 0.00 0.00 179.25 179.92 2kvt h MET 51 N -0.44 0.76 0.08 0.00 2.86 -0.28 0.74 114.93 118.64 2kvt h MET 51 Ca -0.01 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 2kvt h MET 51 Cb 0.85 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 2kvt h MET 51 CO 0.04 0.74 -0.06 0.22 1.06 0.00 0.00 176.91 178.90 2kvt h ASP 52 N 0.64 -0.16 -0.34 1.22 3.58 -1.30 -0.72 116.42 119.33 2kvt h ASP 52 Ca 0.15 0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.54 2kvt h ASP 52 Cb 0.33 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.41 2kvt h ASP 52 CO 0.00 -0.10 -0.04 0.00 -2.88 0.00 0.00 179.24 176.22 2kvt h ALA 53 N 0.77 1.13 -0.31 -0.78 0.00 -1.53 -2.91 119.26 115.63 2kvt h ALA 53 Ca 0.00 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.70 2kvt h ALA 53 Cb 0.14 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 2kvt h ALA 53 CO -0.01 0.56 -0.07 -0.22 0.00 0.00 0.00 179.25 179.50 2kvt h LYS 54 N 0.67 0.00 0.00 0.00 3.64 -0.36 -1.58 116.57 118.95 2kvt h LYS 54 Ca 0.13 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 2kvt h LYS 54 Cb 0.47 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2kvt h LYS 54 CO 0.02 0.00 -0.20 0.87 -2.27 0.00 0.00 179.45 177.88 2kvt h LYS 55 N 0.00 0.00 0.00 1.90 1.57 -1.03 -1.07 116.57 117.95 2kvt h LYS 55 Ca 0.15 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.80 2kvt h LYS 55 Cb 0.22 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2kvt h LYS 55 CO -0.31 0.20 -0.59 0.00 -0.57 0.00 0.00 179.45 178.18 2kvt h ARG 56 N 0.00 0.00 0.06 3.15 3.08 -1.13 0.15 114.38 119.70 2kvt h ARG 56 Ca -0.00 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.79 2kvt h ARG 56 Cb 0.44 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.50 2kvt h ARG 56 CO 0.03 0.59 -1.10 -0.92 -1.07 0.00 0.00 179.97 177.49 2kvt h TYR 57 N 0.00 0.73 0.00 3.04 3.20 -0.62 -3.31 116.97 120.01 2kvt h TYR 57 Ca -0.01 -0.44 -0.10 0.00 3.14 0.00 0.00 58.73 61.32 2kvt h TYR 57 Cb 1.10 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 2kvt h TYR 57 CO 0.00 1.29 -0.46 0.93 -1.64 0.00 0.00 178.16 178.28 2kvt h GLU 58 N 0.22 0.00 -4.25 1.82 5.08 -1.11 -3.39 114.58 112.94 2kvt h GLU 58 Ca -0.13 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.57 2kvt h GLU 58 Cb 1.77 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.63 2kvt h GLU 58 CO 0.20 0.46 -0.66 0.34 -1.00 0.00 0.00 179.01 178.35 2kvt s ASP 59 N -6.44 4.70 -0.88 1.42 2.15 0.52 -4.76 116.67 113.39 2kvt s ASP 59 Ca 0.02 -2.42 -0.26 0.00 0.43 0.00 0.00 52.55 50.33 2kvt s ASP 59 Cb 0.09 -1.66 -0.20 0.00 -0.30 0.00 0.00 42.92 40.85 2kvt s ASP 59 CO 0.72 -0.35 1.93 -2.65 -0.17 0.00 0.00 175.17 174.65 2kvt n PRO 60 N 3.92 0.79 -0.08 4.34 -0.02 -1.26 -4.61 135.00 138.09 2kvt n PRO 60 Ca 0.04 -1.85 -0.07 0.00 -2.02 0.00 0.00 63.50 59.60 2kvt n PRO 60 Cb 0.39 -3.46 -0.03 0.00 -0.02 0.00 0.00 33.50 30.38 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 14.30 1.82 0.00 2.55 2.03 -1.26 -4.81 116.55 131.18 2kvt n ASP 61 Ca 0.45 0.59 0.00 0.00 0.52 0.00 0.00 54.79 56.35 2kvt n ASP 61 Cb 0.45 -0.87 0.00 0.00 -0.72 0.00 0.00 41.12 39.98 2kvt n ASP 61 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2kvt n LYS 62 N -4.58 0.00 -2.17 -0.67 4.81 -1.26 -5.08 118.16 109.21 2kvt n LYS 62 Ca -0.11 0.35 -0.02 0.00 -0.87 0.00 0.00 58.31 57.66 2kvt n LYS 62 Cb 0.33 -0.96 0.01 0.00 0.02 0.00 0.00 35.03 34.43 2kvt n LYS 62 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2kvt n GLU 63 N -1.54 0.29 -3.43 1.64 0.28 -1.26 -5.15 120.64 111.47 2kvt n GLU 63 Ca 0.00 -0.62 -0.18 0.00 -0.16 0.00 0.00 57.16 56.20 2kvt n GLU 63 Cb 0.00 0.81 -0.11 0.00 1.43 0.00 0.00 31.44 33.57 2kvt n GLU 63 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 2kvt s LEU 64 N 0.00 -0.17 -0.48 -1.84 2.34 -1.26 -4.92 118.68 112.35 2kvt s LEU 64 Ca 0.07 -0.60 -0.27 0.00 0.06 0.00 0.00 54.13 53.40 2kvt s LEU 64 Cb -0.01 0.44 -0.04 0.00 -0.56 0.00 0.00 46.19 46.02 2kvt s LEU 64 CO 0.03 -0.37 2.10 -0.70 -1.06 0.00 0.00 176.35 176.35 2kvt s GLU 65 N 2.34 2.58 -0.07 1.48 2.12 -1.26 -4.95 118.70 120.94 2kvt s GLU 65 Ca 0.09 1.18 -0.02 0.00 0.36 0.00 0.00 54.97 56.58 2kvt s GLU 65 Cb -0.15 -4.43 -0.04 0.00 0.26 0.00 0.00 34.13 29.77 2kvt s GLU 65 CO -0.27 -2.75 0.04 -3.38 -0.54 0.00 0.00 175.26 168.36 2kvt s HIS 66 N 9.89 3.26 -0.12 5.30 -3.43 -1.26 -4.86 115.29 124.07 2kvt s HIS 66 Ca 0.84 0.25 -0.04 0.00 -0.80 0.00 0.00 55.06 55.32 2kvt s HIS 66 Cb -0.18 -1.80 0.01 0.00 -1.43 0.00 0.00 32.58 29.19 2kvt s HIS 66 CO 0.26 0.53 0.07 1.58 -2.00 0.00 0.00 174.74 175.18 2kvt n HIS 67 N 1.91 -2.19 -3.70 0.38 -0.00 -1.26 -5.06 115.22 105.30 2kvt n HIS 67 Ca -0.18 1.15 -0.08 0.00 -0.00 0.00 0.00 57.72 58.61 2kvt n HIS 67 Cb 0.54 -2.52 -0.02 0.00 -0.00 0.00 0.00 29.99 27.99 2kvt n HIS 67 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kvt s HIS 68 N -0.79 -0.28 0.41 1.57 -0.00 -1.26 -5.15 115.29 109.79 2kvt s HIS 68 Ca -0.08 -0.07 -0.26 0.00 -0.00 0.00 0.00 55.06 54.65 2kvt s HIS 68 Cb 0.01 0.65 -0.10 0.00 -0.00 0.00 0.00 32.58 33.13 2kvt s HIS 68 CO 0.40 -1.02 1.33 1.58 -0.00 0.00 0.00 174.74 177.04 2kvt n HIS 69 N -0.43 2.36 -2.36 0.38 -0.00 -1.26 -4.90 115.22 109.02 2kvt n HIS 69 Ca -0.08 0.49 -0.36 0.00 -0.00 0.00 0.00 57.72 57.77 2kvt n HIS 69 Cb 0.61 -2.42 -0.04 0.00 -0.00 0.00 0.00 29.99 28.15 2kvt n HIS 69 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kvt s HIS 70 N -1.17 2.23 0.00 1.57 0.09 -1.26 -5.12 115.29 111.63 2kvt s HIS 70 Ca 0.59 -0.21 0.00 0.00 -0.00 0.00 0.00 55.06 55.45 2kvt s HIS 70 Cb -0.50 -4.45 0.00 0.00 -0.00 0.00 0.00 32.58 27.63 2kvt s HIS 70 CO 0.59 -1.90 0.00 1.58 -0.00 0.00 0.00 174.74 175.01