#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 4.08 -1.23 0.03 0.04 -1.26 -4.98 135.00 131.68 2kvt s PRO 2 Ca 0.00 1.13 -0.17 0.00 0.04 0.00 0.00 61.00 61.99 2kvt s PRO 2 Cb 0.00 -2.15 0.10 0.00 0.04 0.00 0.00 34.50 32.48 2kvt s PRO 2 CO 0.00 -0.17 1.61 -0.08 0.04 0.00 0.00 177.00 178.40 2kvt s THR 3 N -2.25 4.37 -0.22 1.26 -1.32 -1.26 -4.98 115.64 111.25 2kvt s THR 3 Ca 0.62 -1.99 -0.29 0.00 -1.21 0.00 0.00 61.69 58.83 2kvt s THR 3 Cb -0.11 -5.09 -0.04 0.00 -1.51 0.00 0.00 72.50 65.75 2kvt s THR 3 CO 0.18 -1.89 1.94 -0.75 -2.21 0.00 0.00 174.62 171.90 2kvt s LYS 4 N 3.53 3.44 0.33 7.08 2.20 -1.26 -5.01 119.74 130.05 2kvt s LYS 4 Ca 0.49 1.85 0.00 0.00 -0.36 0.00 0.00 55.97 57.95 2kvt s LYS 4 Cb 0.01 -4.23 -0.03 0.00 -1.51 0.00 0.00 37.83 32.07 2kvt s LYS 4 CO 0.03 -1.74 0.53 -1.25 -0.36 0.00 0.00 175.35 172.57 2kvt s PRO 5 N 5.59 3.50 0.09 4.03 0.04 -1.26 -5.11 135.00 141.87 2kvt s PRO 5 Ca 0.87 -0.33 -0.16 0.00 0.04 0.00 0.00 61.00 61.42 2kvt s PRO 5 Cb -0.29 -2.69 -0.07 0.00 0.04 0.00 0.00 34.50 31.50 2kvt s PRO 5 CO 0.34 0.19 0.53 -1.25 0.04 0.00 0.00 177.00 176.85 2kvt s PRO 6 N -4.16 4.04 -0.23 0.56 0.04 -1.26 -5.08 135.00 128.91 2kvt s PRO 6 Ca 0.40 0.56 -0.20 0.00 0.04 0.00 0.00 61.00 61.80 2kvt s PRO 6 Cb -0.10 -3.09 -0.02 0.00 0.04 0.00 0.00 34.50 31.33 2kvt s PRO 6 CO 0.35 0.57 0.59 -0.47 0.04 0.00 0.00 177.00 178.08 2kvt s TYR 7 N -1.27 3.31 0.00 0.56 5.04 -1.26 -5.07 117.35 118.66 2kvt s TYR 7 Ca 0.32 0.80 0.00 0.00 -2.44 0.00 0.00 57.07 55.75 2kvt s TYR 7 Cb -0.17 -2.78 0.00 0.00 0.35 0.00 0.00 41.96 39.36 2kvt s TYR 7 CO 0.18 -0.25 0.00 -0.35 -1.34 0.00 0.00 175.55 173.79 2kvt n PRO 8 N 5.38 3.11 -3.16 4.97 -0.04 -1.26 -5.08 135.00 138.93 2kvt n PRO 8 Ca -0.02 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.33 2kvt n PRO 8 Cb 0.49 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.91 2kvt n PRO 8 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2kvt s ARG 9 N 0.00 0.85 0.11 0.54 1.70 -1.26 -5.13 118.95 115.77 2kvt s ARG 9 Ca 0.00 -1.00 -0.23 0.00 -0.47 0.00 0.00 55.73 54.02 2kvt s ARG 9 Cb 0.00 -0.46 -0.07 0.00 -0.57 0.00 0.00 34.95 33.85 2kvt s ARG 9 CO 0.00 -1.27 0.70 -1.21 -1.08 0.00 0.00 175.30 172.45 2kvt s GLU 10 N 1.12 4.44 0.28 3.89 8.01 -1.26 -3.87 118.70 131.31 2kvt s GLU 10 Ca 0.23 1.00 0.11 0.00 0.01 0.00 0.00 54.97 56.32 2kvt s GLU 10 Cb -0.05 -3.27 -0.05 0.00 -4.31 0.00 0.00 34.13 26.45 2kvt s GLU 10 CO -0.07 0.55 -0.15 0.00 0.01 0.00 0.00 175.26 175.60 2kvt s ALA 11 N -0.95 2.86 -0.01 5.21 0.00 -1.26 -4.09 121.76 123.52 2kvt s ALA 11 Ca 0.34 -1.85 -0.04 0.00 0.00 0.00 0.00 51.96 50.41 2kvt s ALA 11 Cb -0.21 -0.35 -0.00 0.00 0.00 0.00 0.00 23.12 22.55 2kvt s ALA 11 CO 0.23 0.26 0.08 1.52 0.00 0.00 0.00 175.76 177.85 2kvt s TYR 12 N -2.48 0.03 -0.17 0.00 1.13 0.35 -4.98 117.35 111.24 2kvt s TYR 12 Ca 0.31 -0.05 -0.07 0.00 -1.41 0.00 0.00 57.07 55.84 2kvt s TYR 12 Cb -0.05 -0.04 -0.04 0.00 -1.10 0.00 0.00 41.96 40.73 2kvt s TYR 12 CO 0.16 -0.15 0.06 0.42 -2.51 0.00 0.00 175.55 173.52 2kvt s ILE 13 N -0.74 4.75 -0.16 -3.49 1.01 -1.26 -0.57 121.20 120.74 2kvt s ILE 13 Ca -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.51 2kvt s ILE 13 Cb -0.05 -3.12 -0.00 0.00 0.01 0.00 0.00 42.46 39.30 2kvt s ILE 13 CO 0.00 0.48 -0.15 -0.69 0.00 0.00 0.00 174.94 174.59 2kvt s VAL 14 N 0.18 2.72 -0.23 2.92 1.01 -0.16 -4.91 120.40 121.94 2kvt s VAL 14 Ca 0.04 -0.75 -0.23 0.00 0.00 0.00 0.00 61.98 61.04 2kvt s VAL 14 Cb -0.12 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 2kvt s VAL 14 CO 0.01 0.51 0.73 0.42 0.00 0.00 0.00 175.10 176.77 2kvt s THR 15 N 0.81 4.92 0.37 3.92 -4.23 -1.26 -0.68 115.64 119.49 2kvt s THR 15 Ca -0.05 1.36 0.08 0.00 -1.18 0.00 0.00 61.69 61.91 2kvt s THR 15 Cb -0.15 -4.03 -0.06 0.00 1.34 0.00 0.00 72.50 69.59 2kvt s THR 15 CO 0.00 -0.00 -0.00 0.27 -0.54 0.00 0.00 174.62 174.35 2kvt s ILE 16 N 2.52 2.30 -0.19 2.99 -4.36 0.10 -4.94 121.20 119.62 2kvt s ILE 16 Ca 0.31 -2.02 0.01 0.00 -0.26 0.00 0.00 60.65 58.69 2kvt s ILE 16 Cb -0.16 -2.83 0.04 0.00 1.25 0.00 0.00 42.46 40.77 2kvt s ILE 16 CO 0.09 -0.12 -0.10 -1.61 0.24 0.00 0.00 174.94 173.44 2kvt s GLU 17 N -3.70 1.94 0.44 0.37 2.02 -1.26 -0.68 118.70 117.81 2kvt s GLU 17 Ca 0.35 -0.78 0.04 0.00 0.02 0.00 0.00 54.97 54.60 2kvt s GLU 17 Cb 0.04 -2.34 -0.05 0.00 0.10 0.00 0.00 34.13 31.88 2kvt s GLU 17 CO 0.18 -0.42 0.03 0.15 0.02 0.00 0.00 175.26 175.22 2kvt s LYS 18 N 1.44 2.00 0.07 1.61 1.02 -0.79 -4.85 119.74 120.23 2kvt s LYS 18 Ca -0.01 -2.20 0.00 0.00 0.02 0.00 0.00 55.97 53.78 2kvt s LYS 18 Cb -0.16 -1.36 0.00 0.00 -0.52 0.00 0.00 37.83 35.79 2kvt s LYS 18 CO -0.08 -0.24 0.00 0.41 -0.92 0.00 0.00 175.35 174.52 2kvt n GLY 19 N -1.03 1.06 3.83 -3.33 0.00 -1.26 -0.42 105.19 104.05 2kvt n GLY 19 Ca -0.10 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 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 3.90 0.20 1.61 1.02 -0.93 -4.95 119.74 120.59 2kvt s LYS 20 Ca 0.00 1.01 -0.11 0.00 0.02 0.00 0.00 55.97 56.89 2kvt s LYS 20 Cb 0.00 -2.13 0.19 0.00 -0.52 0.00 0.00 37.83 35.37 2kvt s LYS 20 CO 0.00 -0.31 1.82 -1.35 -0.92 0.00 0.00 175.35 174.59 2kvt h PRO 21 N 0.98 0.68 0.09 -1.68 0.11 -2.00 -3.04 132.00 127.14 2kvt h PRO 21 Ca -0.47 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.42 2kvt h PRO 21 Cb 1.19 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2kvt h PRO 21 CO 0.61 0.45 -0.87 0.78 -0.21 0.00 0.00 178.00 178.76 2kvt h GLY 22 N 0.70 0.22 -7.57 -0.55 0.00 -2.00 -3.40 103.07 90.47 2kvt h GLY 22 Ca 0.27 -0.55 -0.78 0.00 0.00 0.00 0.00 47.33 46.27 2kvt h GLY 22 CO -0.14 0.48 0.76 -1.06 0.00 0.00 0.00 176.54 176.58 2kvt n GLN 23 N -4.20 3.53 -3.25 4.80 1.13 -1.21 -5.03 117.38 113.16 2kvt n GLN 23 Ca -0.18 -4.27 -0.35 0.00 -1.94 0.00 0.00 57.00 50.26 2kvt n GLN 23 Cb 0.76 -2.70 -0.06 0.00 0.11 0.00 0.00 30.24 28.35 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 -0.50 4.75 -0.16 5.09 -4.23 -1.15 -2.18 115.64 117.26 2kvt s THR 24 Ca 0.35 0.95 -0.04 0.00 -1.18 0.00 0.00 61.69 61.76 2kvt s THR 24 Cb -0.07 -3.74 -0.02 0.00 1.34 0.00 0.00 72.50 70.00 2kvt s THR 24 CO -0.05 0.13 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.43 2kvt s VAL 25 N -1.60 3.82 -0.36 2.29 1.01 0.44 -4.90 120.40 121.09 2kvt s VAL 25 Ca 0.43 -0.38 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 2kvt s VAL 25 Cb -0.14 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.58 2kvt s VAL 25 CO 0.20 0.48 1.14 -0.89 0.00 0.00 0.00 175.10 176.03 2kvt s THR 26 N 0.52 4.35 -0.14 3.92 2.01 -1.26 -1.89 115.64 123.15 2kvt s THR 26 Ca -0.03 1.50 -0.02 0.00 0.31 0.00 0.00 61.69 63.44 2kvt s THR 26 Cb -0.14 -4.42 -0.03 0.00 0.01 0.00 0.00 72.50 67.92 2kvt s THR 26 CO 0.03 -0.64 -0.06 0.26 -0.69 0.00 0.00 174.62 173.52 2kvt s TRP 27 N 4.04 2.98 -0.36 4.92 0.52 0.14 -4.67 118.94 126.52 2kvt s TRP 27 Ca 0.48 -0.31 -0.19 0.00 0.02 0.00 0.00 56.10 56.10 2kvt s TRP 27 Cb -0.11 -1.91 0.00 0.00 -1.15 0.00 0.00 33.47 30.30 2kvt s TRP 27 CO 0.22 -0.01 0.54 0.71 0.02 0.00 0.00 176.95 178.42 2kvt s TYR 28 N 0.20 3.16 -0.37 -1.98 1.51 0.32 -0.72 117.35 119.48 2kvt s TYR 28 Ca -0.03 0.15 -0.15 0.00 -1.01 0.00 0.00 57.07 56.03 2kvt s TYR 28 Cb -0.14 -2.99 -0.00 0.00 -0.11 0.00 0.00 41.96 38.72 2kvt s TYR 28 CO 0.03 -0.59 0.34 -0.65 -1.11 0.00 0.00 175.55 173.58 2kvt s GLN 29 N 2.46 3.39 -0.31 -0.62 -0.21 0.14 -1.03 119.66 123.48 2kvt s GLN 29 Ca 0.19 -0.60 -0.29 0.00 0.02 0.00 0.00 55.36 54.68 2kvt s GLN 29 Cb -0.15 -3.86 0.01 0.00 1.00 0.00 0.00 33.01 30.01 2kvt s GLN 29 CO 0.14 -0.60 1.10 -1.17 -2.12 0.00 0.00 175.29 172.64 2kvt s LEU 30 N 1.94 3.95 0.32 2.90 2.96 0.25 -0.98 118.68 130.01 2kvt s LEU 30 Ca 0.10 1.11 0.03 0.00 -0.22 0.00 0.00 54.13 55.15 2kvt s LEU 30 Cb -0.17 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.92 2kvt s LEU 30 CO 0.12 -0.87 0.07 -0.13 -1.32 0.00 0.00 176.35 174.21 2kvt s ARG 31 N 3.65 1.63 0.20 1.98 0.52 0.27 -0.17 118.95 127.02 2kvt s ARG 31 Ca 0.46 -1.91 0.01 0.00 -0.52 0.00 0.00 55.73 53.78 2kvt s ARG 31 Cb -0.13 -0.75 -0.05 0.00 0.52 0.00 0.00 34.95 34.54 2kvt s ARG 31 CO 0.15 -0.22 0.06 0.00 0.02 0.00 0.00 175.30 175.30 2kvt s ALA 32 N -3.37 1.39 -1.05 2.13 0.00 -0.92 -0.49 121.76 119.45 2kvt s ALA 32 Ca 0.36 -1.68 0.23 0.00 0.00 0.00 0.00 51.96 50.87 2kvt s ALA 32 Cb 0.08 0.86 0.11 0.00 0.00 0.00 0.00 23.12 24.17 2kvt s ALA 32 CO 0.15 -0.42 1.14 -0.25 0.00 0.00 0.00 175.76 176.38 2kvt n ASP 33 N -0.30 0.82 -3.91 0.00 8.00 -1.26 -4.06 116.55 115.84 2kvt n ASP 33 Ca -0.03 -0.69 -0.10 0.00 0.71 0.00 0.00 54.79 54.67 2kvt n ASP 33 Cb 0.65 0.65 -0.10 0.00 -0.02 0.00 0.00 41.12 42.29 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 -2.97 0.12 0.13 1.24 3.76 -1.26 -3.30 115.29 113.00 2kvt s HIS 34 Ca 0.10 -0.27 0.29 0.00 -0.15 0.00 0.00 55.06 55.03 2kvt s HIS 34 Cb 0.17 -0.10 1.17 0.00 1.11 0.00 0.00 32.58 34.93 2kvt s HIS 34 CO 0.78 -0.24 1.92 -1.35 -0.85 0.00 0.00 174.74 175.00 2kvt h PRO 35 N 4.49 0.00 -5.97 8.40 0.11 -2.01 -3.48 132.00 133.55 2kvt h PRO 35 Ca -0.31 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 65.11 2kvt h PRO 35 Cb 1.20 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.01 2kvt h PRO 35 CO 0.41 0.10 -0.86 0.15 -0.21 0.00 0.00 178.00 177.60 2kvt s LYS 36 N -3.69 2.64 0.56 1.05 -0.14 -1.26 -5.01 119.74 113.90 2kvt s LYS 36 Ca 0.01 -0.85 0.25 0.00 -1.36 0.00 0.00 55.97 54.01 2kvt s LYS 36 Cb 0.10 -2.25 1.58 0.00 -1.68 0.00 0.00 37.83 35.58 2kvt s LYS 36 CO 0.59 0.39 2.17 -1.35 -0.76 0.00 0.00 175.35 176.39 2kvt h PRO 37 N 6.04 0.00 0.00 -1.68 0.11 -1.73 -1.06 132.00 133.69 2kvt h PRO 37 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 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 0.48 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.02 2kvt n ASP 38 N -4.10 0.00 -4.58 -2.05 9.92 -1.26 -4.66 116.55 109.82 2kvt n ASP 38 Ca -0.01 -0.56 -0.44 0.00 -0.53 0.00 0.00 54.79 53.25 2kvt n ASP 38 Cb 0.17 -0.12 -0.04 0.00 -0.64 0.00 0.00 41.12 40.49 2kvt n ASP 38 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2kvt n SER 39 N -1.12 3.11 -4.43 -2.24 3.41 -0.40 -4.95 113.62 107.00 2kvt n SER 39 Ca 0.18 0.26 -0.39 0.00 -0.26 0.00 0.00 58.87 58.66 2kvt n SER 39 Cb 0.15 -1.51 -0.11 0.00 -0.26 0.00 0.00 64.21 62.47 2kvt n SER 39 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2kvt s LEU 40 N 8.03 4.27 -0.15 1.04 2.96 -1.26 -2.17 118.68 131.40 2kvt s LEU 40 Ca 1.02 -0.62 -0.18 0.00 -0.22 0.00 0.00 54.13 54.13 2kvt s LEU 40 Cb -0.43 -2.02 -0.15 0.00 0.50 0.00 0.00 46.19 44.09 2kvt s LEU 40 CO 0.38 -0.24 0.34 0.40 -1.32 0.00 0.00 176.35 175.91 2kvt h ILE 41 N 5.69 0.94 -2.51 6.68 1.08 -0.92 -3.49 117.51 124.98 2kvt h ILE 41 Ca -0.31 -1.82 0.02 0.00 -0.39 0.00 0.00 64.86 62.36 2kvt h ILE 41 Cb 1.14 1.90 -0.15 0.00 -3.07 0.00 0.00 36.82 36.63 2kvt h ILE 41 CO 0.63 0.32 0.32 -0.55 -0.69 0.00 0.00 178.15 178.17 2kvt s SER 42 N -6.15 -0.51 -0.19 1.72 0.15 -1.19 -5.01 113.70 102.52 2kvt s SER 42 Ca -0.16 0.15 0.01 0.00 0.70 0.00 0.00 55.95 56.65 2kvt s SER 42 Cb 0.00 0.50 0.03 0.00 -1.71 0.00 0.00 66.02 64.84 2kvt s SER 42 CO 0.45 -0.76 -0.17 -1.61 1.20 0.00 0.00 173.24 172.34 2kvt s GLU 43 N -2.93 2.73 0.03 5.44 2.02 -1.26 -0.58 118.70 124.15 2kvt s GLU 43 Ca -0.00 -0.85 0.07 0.00 0.02 0.00 0.00 54.97 54.21 2kvt s GLU 43 Cb -0.01 -2.53 -0.02 0.00 0.10 0.00 0.00 34.13 31.67 2kvt s GLU 43 CO -0.07 -0.27 -0.22 -1.01 0.02 0.00 0.00 175.26 173.71 2kvt s HIS 44 N 1.30 1.93 0.17 1.61 3.76 -0.20 -4.92 115.29 118.95 2kvt s HIS 44 Ca 0.03 -0.38 0.27 0.00 -0.15 0.00 0.00 55.06 54.83 2kvt s HIS 44 Cb -0.14 -1.18 1.13 0.00 1.11 0.00 0.00 32.58 33.51 2kvt s HIS 44 CO -0.11 0.07 1.91 -1.00 -0.85 0.00 0.00 174.74 174.75 2kvt h PRO 45 N 5.03 0.00 -6.55 8.40 0.13 -1.87 0.94 132.00 138.08 2kvt h PRO 45 Ca -0.43 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.06 2kvt h PRO 45 Cb 1.15 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.09 2kvt h PRO 45 CO 0.45 0.15 -0.82 0.95 -0.23 0.00 0.00 178.00 178.49 2kvt s THR 46 N -3.74 2.26 0.06 1.56 -4.23 -1.26 -4.71 115.64 105.59 2kvt s THR 46 Ca 0.00 -1.98 -0.19 0.00 -1.18 0.00 0.00 61.69 58.35 2kvt s THR 46 Cb 0.10 -2.06 -0.12 0.00 1.34 0.00 0.00 72.50 71.76 2kvt s THR 46 CO 0.60 -0.12 1.39 0.00 -0.54 0.00 0.00 174.62 175.96 2kvt h ALA 47 N 3.30 0.29 -0.16 3.99 0.00 -1.98 -2.59 119.26 122.10 2kvt h ALA 47 Ca -0.46 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.16 2kvt h ALA 47 Cb 1.20 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 2kvt h ALA 47 CO 0.47 0.17 -0.08 0.37 0.00 0.00 0.00 179.25 180.19 2kvt h GLN 48 N 0.14 -0.06 -0.98 0.00 -0.00 -1.98 0.37 115.11 112.59 2kvt h GLN 48 Ca 0.04 0.00 0.09 0.00 -0.00 0.00 0.00 58.65 58.78 2kvt h GLN 48 Cb 0.67 0.01 -0.07 0.00 0.00 0.00 0.00 27.48 28.09 2kvt h GLN 48 CO 0.04 -0.04 0.63 1.49 0.00 0.00 0.00 178.83 180.95 2kvt h GLU 49 N -0.06 1.04 -0.34 1.69 4.22 -1.98 0.40 114.58 119.55 2kvt h GLU 49 Ca 0.09 -0.06 -0.14 0.00 0.08 0.00 0.00 59.36 59.33 2kvt h GLU 49 Cb 0.20 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2kvt h GLU 49 CO -0.20 0.69 -0.33 0.00 -2.18 0.00 0.00 179.01 176.98 2kvt h ALA 50 N 1.50 0.50 -0.25 2.92 0.00 -0.91 -3.22 119.26 119.80 2kvt h ALA 50 Ca 0.45 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2kvt h ALA 50 Cb 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2kvt h ALA 50 CO -0.20 0.56 -0.27 0.52 0.00 0.00 0.00 179.25 179.86 2kvt h MET 51 N 0.61 0.48 -0.06 0.00 2.86 0.62 -0.98 114.93 118.46 2kvt h MET 51 Ca 0.06 -0.19 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 2kvt h MET 51 Cb 0.92 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 2kvt h MET 51 CO 0.08 0.71 -0.19 0.22 1.06 0.00 0.00 176.91 178.80 2kvt h ASP 52 N 0.42 0.09 -0.00 1.22 3.58 -0.98 0.12 116.42 120.87 2kvt h ASP 52 Ca 0.06 -0.02 -0.26 0.00 0.42 0.00 0.00 57.03 57.23 2kvt h ASP 52 Cb 0.70 -0.02 0.02 0.00 1.72 0.00 0.00 39.33 41.74 2kvt h ASP 52 CO 0.05 0.30 -1.01 0.00 -2.88 0.00 0.00 179.24 175.69 2kvt h ALA 53 N 1.72 0.12 -0.44 -0.78 0.00 -1.50 -3.32 119.26 115.06 2kvt h ALA 53 Ca 0.02 -0.69 0.07 0.00 0.00 0.00 0.00 54.91 54.31 2kvt h ALA 53 Cb 0.40 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 2kvt h ALA 53 CO 0.03 0.66 0.11 -0.22 0.00 0.00 0.00 179.25 179.83 2kvt h LYS 54 N 0.37 0.25 -0.92 0.00 3.64 -0.15 -1.72 116.57 118.03 2kvt h LYS 54 Ca -0.13 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.30 2kvt h LYS 54 Cb 1.67 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 33.38 2kvt h LYS 54 CO 0.20 0.16 0.60 1.57 -2.27 0.00 0.00 179.45 179.71 2kvt h LYS 55 N 0.25 1.04 0.00 1.90 2.10 -1.15 -1.56 116.57 119.16 2kvt h LYS 55 Ca 0.22 -0.06 -0.09 0.00 -2.00 0.00 0.00 60.65 58.72 2kvt h LYS 55 Cb 0.26 -0.24 -0.01 0.00 -0.90 0.00 0.00 32.23 31.34 2kvt h LYS 55 CO -0.26 0.69 -0.41 -0.09 -2.00 0.00 0.00 179.45 177.37 2kvt h ARG 56 N 1.07 0.00 0.04 0.07 2.43 -1.44 -0.26 114.38 116.30 2kvt h ARG 56 Ca 0.39 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.56 2kvt h ARG 56 Cb 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2kvt h ARG 56 CO -0.14 0.41 -0.02 -0.92 -1.51 0.00 0.00 179.97 177.79 2kvt h TYR 57 N 0.00 -0.05 -0.08 2.20 3.20 -0.56 -3.36 116.97 118.31 2kvt h TYR 57 Ca -0.00 -0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.69 2kvt h TYR 57 Cb 1.01 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 2kvt h TYR 57 CO 0.00 0.55 -0.69 0.93 -1.64 0.00 0.00 178.16 177.31 2kvt h GLU 58 N -0.72 0.37 -6.47 1.82 5.08 -1.32 -3.46 114.58 109.89 2kvt h GLU 58 Ca -0.01 -0.29 -0.44 0.00 -1.00 0.00 0.00 59.36 57.63 2kvt h GLU 58 Cb 0.63 0.06 0.02 0.00 0.50 0.00 0.00 28.75 29.95 2kvt h GLU 58 CO 0.01 0.92 -0.23 -0.51 -1.00 0.00 0.00 179.01 178.20 2kvt s ASP 59 N -6.95 5.50 1.07 1.42 1.01 -0.11 -4.60 116.67 114.01 2kvt s ASP 59 Ca -0.05 -0.53 -0.04 0.00 0.71 0.00 0.00 52.55 52.64 2kvt s ASP 59 Cb 0.11 -0.44 0.06 0.00 1.01 0.00 0.00 42.92 43.65 2kvt s ASP 59 CO 0.83 -0.88 0.13 -2.65 0.21 0.00 0.00 175.17 172.81 2kvt n PRO 60 N -1.92 -2.38 -1.06 8.23 -0.02 -1.26 -4.47 135.00 132.12 2kvt n PRO 60 Ca 0.09 -0.22 -0.02 0.00 -2.02 0.00 0.00 63.50 61.34 2kvt n PRO 60 Cb 0.60 -0.28 -0.01 0.00 -0.02 0.00 0.00 33.50 33.79 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 -3.41 -3.28 -3.93 2.55 2.03 -1.26 -4.77 116.55 104.47 2kvt n ASP 61 Ca 0.02 0.05 -0.10 0.00 0.52 0.00 0.00 54.79 55.28 2kvt n ASP 61 Cb 0.09 -0.97 -0.12 0.00 -0.72 0.00 0.00 41.12 39.39 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 -2.09 0.17 0.71 -0.67 2.20 -1.26 -5.04 119.74 113.76 2kvt s LYS 62 Ca 0.00 -0.34 -0.12 0.00 -0.36 0.00 0.00 55.97 55.15 2kvt s LYS 62 Cb 0.00 0.06 0.03 0.00 -1.51 0.00 0.00 37.83 36.41 2kvt s LYS 62 CO 0.00 -0.03 1.09 -1.21 -0.36 0.00 0.00 175.35 174.84 2kvt s GLU 63 N -0.81 2.60 0.08 4.03 0.41 -1.26 -4.99 118.70 118.76 2kvt s GLU 63 Ca -0.09 1.20 -0.31 0.00 -0.41 0.00 0.00 54.97 55.36 2kvt s GLU 63 Cb -0.06 -1.94 -0.07 0.00 -1.78 0.00 0.00 34.13 30.29 2kvt s GLU 63 CO -0.01 -1.38 1.36 -0.51 -0.49 0.00 0.00 175.26 174.23 2kvt s LEU 64 N -5.46 4.36 0.10 1.80 2.01 -1.26 -4.94 118.68 115.30 2kvt s LEU 64 Ca 0.62 2.24 0.07 0.00 0.01 0.00 0.00 54.13 57.07 2kvt s LEU 64 Cb -0.17 -3.58 -0.22 0.00 0.01 0.00 0.00 46.19 42.23 2kvt s LEU 64 CO 0.50 -0.64 1.20 1.05 1.01 0.00 0.00 176.35 179.48 2kvt h GLU 65 N 7.01 0.01 -2.71 1.70 9.09 -2.02 -3.38 114.58 124.29 2kvt h GLU 65 Ca -0.41 -0.02 -0.76 0.00 0.05 0.00 0.00 59.36 58.22 2kvt h GLU 65 Cb 1.20 0.01 -0.31 0.00 -1.65 0.00 0.00 28.75 28.00 2kvt h GLU 65 CO 0.86 0.95 0.46 1.58 0.05 0.00 0.00 179.01 182.91 2kvt n HIS 66 N -3.32 2.59 0.97 2.06 -0.00 -1.26 -4.83 115.22 111.43 2kvt n HIS 66 Ca -0.02 -2.95 0.05 0.00 -0.00 0.00 0.00 57.72 54.79 2kvt n HIS 66 Cb 0.96 -1.08 0.13 0.00 -0.00 0.00 0.00 29.99 30.00 2kvt n HIS 66 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kvt n HIS 67 N 1.13 0.44 -3.92 1.57 -0.00 -1.26 -4.75 115.22 108.42 2kvt n HIS 67 Ca 0.28 -0.21 -0.15 0.00 0.46 0.00 0.00 57.72 58.10 2kvt n HIS 67 Cb 0.35 -0.03 -0.15 0.00 -0.12 0.00 0.00 29.99 30.04 2kvt n HIS 67 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kvt s HIS 68 N -1.61 0.18 -0.33 1.57 3.76 -1.26 -5.13 115.29 112.47 2kvt s HIS 68 Ca 0.20 0.01 0.02 0.00 -0.15 0.00 0.00 55.06 55.14 2kvt s HIS 68 Cb 0.11 -0.21 0.15 0.00 1.11 0.00 0.00 32.58 33.74 2kvt s HIS 68 CO 0.13 -0.05 0.37 -3.38 -0.85 0.00 0.00 174.74 170.96 2kvt s HIS 69 N 0.45 -0.58 0.64 1.40 -3.43 -1.26 -5.14 115.29 107.36 2kvt s HIS 69 Ca -0.04 -0.32 0.07 0.00 -0.80 0.00 0.00 55.06 53.97 2kvt s HIS 69 Cb -0.06 -0.33 0.11 0.00 -1.43 0.00 0.00 32.58 30.86 2kvt s HIS 69 CO -0.01 -0.97 0.88 -3.38 -2.00 0.00 0.00 174.74 169.26 2kvt s HIS 70 N 1.99 1.24 0.00 0.38 -3.43 -1.26 -5.31 115.29 108.90 2kvt s HIS 70 Ca 0.13 -0.66 0.00 0.00 -0.80 0.00 0.00 55.06 53.73 2kvt s HIS 70 Cb -0.14 -2.41 0.00 0.00 -1.43 0.00 0.00 32.58 28.60 2kvt s HIS 70 CO -0.19 -1.42 0.43 -2.39 -2.00 0.00 0.00 174.74 169.18