#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1klv h GLU 19 N 0.00 0.58 0.19 1.61 4.39 -2.03 -0.24 114.58 119.08 1klv h GLU 19 Ca 0.00 -0.03 -0.31 0.00 0.34 0.00 0.00 59.36 59.35 1klv h GLU 19 Cb 0.00 -0.13 0.02 0.00 -0.10 0.00 0.00 28.75 28.54 1klv h GLU 19 CO 0.00 0.38 -1.42 -0.22 -1.16 0.00 0.00 179.01 176.59 1klv h LYS 20 N 0.60 0.40 0.00 2.33 1.63 -2.04 -3.13 116.57 116.36 1klv h LYS 20 Ca 0.59 -0.68 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1klv h LYS 20 Cb 1.15 0.25 0.00 0.00 -0.60 0.00 0.00 32.23 33.03 1klv h LYS 20 CO -0.36 1.32 0.00 0.82 -3.45 0.00 0.00 179.45 177.78 1klv h ILE 21 N 0.11 0.00 0.00 2.00 5.03 -1.50 -2.45 117.51 120.70 1klv h ILE 21 Ca -0.22 -0.13 -0.03 0.00 -0.12 0.00 0.00 64.86 64.36 1klv h ILE 21 Cb 2.08 0.95 -0.00 0.00 -3.03 0.00 0.00 36.82 36.82 1klv h ILE 21 CO 0.23 0.00 -0.39 -0.09 -0.68 0.00 0.00 178.15 177.22 1klv h ARG 22 N 0.00 0.00 -1.02 2.37 9.65 -1.21 -0.39 114.38 123.78 1klv h ARG 22 Ca 0.00 0.00 0.25 0.00 -1.10 0.00 0.00 59.98 59.13 1klv h ARG 22 Cb 0.14 0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 28.63 1klv h ARG 22 CO 0.00 0.24 0.65 0.87 2.80 0.00 0.00 179.97 184.52 1klv h LYS 23 N -1.00 0.45 0.05 0.20 1.57 -1.48 0.34 116.57 116.71 1klv h LYS 23 Ca -0.05 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.54 1klv h LYS 23 Cb 0.50 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1klv h LYS 23 CO -0.03 0.30 -0.82 0.87 -0.57 0.00 0.00 179.45 179.20 1klv h LYS 24 N 0.46 0.10 -2.37 3.15 1.79 -1.58 -3.39 116.57 114.73 1klv h LYS 24 Ca 0.60 -0.17 -0.68 0.00 -2.18 0.00 0.00 60.65 58.21 1klv h LYS 24 Cb 1.38 0.06 -0.36 0.00 -1.58 0.00 0.00 32.23 31.73 1klv h LYS 24 CO -0.33 1.08 -0.01 0.66 -1.08 0.00 0.00 179.45 179.77 1klv n TYR 25 N -4.32 3.32 0.93 -1.35 4.01 -0.16 -4.79 117.16 114.81 1klv n TYR 25 Ca -0.21 -3.48 0.09 0.00 -0.16 0.00 0.00 57.90 54.14 1klv n TYR 25 Cb 0.69 -0.80 0.49 0.00 -0.31 0.00 0.00 39.34 39.40 1klv n TYR 25 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1klv n PRO 26 N 0.43 0.32 0.00 -0.72 -0.04 0.11 -2.36 135.00 132.74 1klv n PRO 26 Ca 0.33 0.09 0.12 0.00 -0.04 0.00 0.00 63.50 64.00 1klv n PRO 26 Cb 0.36 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.48 1klv n PRO 26 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1klv n ASP 27 N -1.24 1.18 -0.75 3.54 2.03 -1.26 -4.93 116.55 115.13 1klv n ASP 27 Ca 0.10 -0.95 0.00 0.00 0.52 0.00 0.00 54.79 54.46 1klv n ASP 27 Cb 0.13 0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 1klv n ASP 27 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1klv n ARG 28 N -0.81 2.33 -3.48 -0.67 3.00 -1.00 -3.69 116.66 112.35 1klv n ARG 28 Ca 0.09 0.00 -0.19 0.00 -0.01 0.00 0.00 57.85 57.73 1klv n ARG 28 Cb 0.37 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.71 1klv n ARG 28 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1klv s VAL 29 N 1.51 -0.31 -1.10 1.55 1.01 0.15 -4.49 120.40 118.73 1klv s VAL 29 Ca 0.00 -0.25 -0.22 0.00 0.00 0.00 0.00 61.98 61.51 1klv s VAL 29 Cb 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 36.38 35.64 1klv s VAL 29 CO 0.00 -0.31 1.66 -2.16 0.00 0.00 0.00 175.10 174.29 1klv s PRO 30 N 2.31 3.42 0.12 2.72 0.04 -1.26 -2.49 135.00 139.86 1klv s PRO 30 Ca 0.08 -1.24 -0.28 0.00 0.04 0.00 0.00 61.00 59.59 1klv s PRO 30 Cb -0.15 -5.35 -0.06 0.00 0.04 0.00 0.00 34.50 28.97 1klv s PRO 30 CO -0.19 -2.59 0.90 0.14 0.04 0.00 0.00 177.00 175.30 1klv s VAL 31 N 6.20 4.46 0.02 -0.36 -7.23 -0.82 -2.51 120.40 120.16 1klv s VAL 31 Ca 0.54 1.94 -0.16 0.00 -1.81 0.00 0.00 61.98 62.49 1klv s VAL 31 Cb -0.00 -4.26 -0.06 0.00 0.56 0.00 0.00 36.38 32.62 1klv s VAL 31 CO -0.01 0.38 0.47 -0.63 -0.31 0.00 0.00 175.10 174.99 1klv s ILE 32 N -0.34 4.94 -0.01 -0.62 -1.09 -0.12 -1.92 121.20 122.05 1klv s ILE 32 Ca 0.43 0.97 0.06 0.00 -2.23 0.00 0.00 60.65 59.88 1klv s ILE 32 Cb -0.23 -3.78 -0.01 0.00 -1.58 0.00 0.00 42.46 36.85 1klv s ILE 32 CO 0.28 0.56 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.68 1klv s VAL 33 N -0.99 1.43 0.32 2.92 1.01 -0.60 -0.93 120.40 123.56 1klv s VAL 33 Ca 0.26 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 1klv s VAL 33 Cb -0.18 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.04 1klv s VAL 33 CO 0.15 0.40 0.66 -0.70 0.00 0.00 0.00 175.10 175.61 1klv s GLU 34 N -0.42 1.91 0.24 2.72 2.12 -0.67 -4.46 118.70 120.14 1klv s GLU 34 Ca 0.07 -1.31 0.06 0.00 0.36 0.00 0.00 54.97 54.15 1klv s GLU 34 Cb -0.07 0.56 -0.03 0.00 0.26 0.00 0.00 34.13 34.85 1klv s GLU 34 CO -0.01 -0.86 0.29 0.21 -0.54 0.00 0.00 175.26 174.35 1klv s LYS 35 N -3.26 3.22 0.73 4.30 2.47 -1.26 -2.23 119.74 123.71 1klv s LYS 35 Ca 0.18 -0.88 -0.12 0.00 -1.56 0.00 0.00 55.97 53.59 1klv s LYS 35 Cb -0.04 -2.76 0.19 0.00 -1.46 0.00 0.00 37.83 33.76 1klv s LYS 35 CO 0.11 0.42 0.53 0.00 0.16 0.00 0.00 175.35 176.57 1klv n ALA 36 N -1.27 -2.33 -2.19 3.13 0.00 -0.87 -4.80 120.51 112.18 1klv n ALA 36 Ca -0.08 -0.85 -0.42 0.00 0.00 0.00 0.00 53.44 52.08 1klv n ALA 36 Cb 0.57 -0.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 1klv n ALA 36 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1klv s PRO 37 N -4.23 3.27 -1.12 0.00 0.04 -1.26 -3.05 135.00 128.65 1klv s PRO 37 Ca 0.37 0.95 -0.07 0.00 0.04 0.00 0.00 61.00 62.29 1klv s PRO 37 Cb -0.05 -4.17 0.01 0.00 0.04 0.00 0.00 34.50 30.33 1klv s PRO 37 CO 0.30 -1.94 0.98 1.63 0.04 0.00 0.00 177.00 178.01 1klv n LYS 38 N 8.50 -6.62 -0.13 4.56 4.76 -1.26 -4.98 118.16 123.00 1klv n LYS 38 Ca 0.19 0.69 -0.11 0.00 -2.87 0.00 0.00 58.31 56.20 1klv n LYS 38 Cb 0.48 -5.30 0.10 0.00 -1.84 0.00 0.00 35.03 28.48 1klv n LYS 38 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1klv n ALA 39 N -4.58 -1.86 -2.32 7.82 0.00 -1.17 -4.99 120.51 113.40 1klv n ALA 39 Ca 0.01 -0.54 -0.01 0.00 0.00 0.00 0.00 53.44 52.89 1klv n ALA 39 Cb 0.55 -0.05 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 1klv n ALA 39 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1klv n ARG 40 N -2.83 0.23 -2.49 0.00 1.85 -1.26 -5.03 116.66 107.13 1klv n ARG 40 Ca 0.05 -1.63 -0.24 0.00 -1.00 0.00 0.00 57.85 55.03 1klv n ARG 40 Cb 0.21 0.13 0.11 0.00 -1.05 0.00 0.00 32.46 31.85 1klv n ARG 40 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 1klv s ILE 41 N -0.27 2.19 0.41 8.89 -5.25 -1.26 -4.93 121.20 120.97 1klv s ILE 41 Ca 0.17 -0.51 -0.05 0.00 -0.99 0.00 0.00 60.65 59.26 1klv s ILE 41 Cb 0.22 -2.68 0.08 0.00 2.95 0.00 0.00 42.46 43.04 1klv s ILE 41 CO -0.08 0.00 0.19 0.61 -1.79 0.00 0.00 174.94 173.87 1klv n GLY 42 N -2.89 -2.19 2.15 6.27 0.00 -0.21 -4.96 105.19 103.37 1klv n GLY 42 Ca 0.14 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.26 1klv n GLY 42 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1klv n ASP 43 N -1.85 -1.38 -3.91 1.61 2.03 -1.26 -4.74 116.55 107.05 1klv n ASP 43 Ca 0.03 -0.97 -0.18 0.00 0.52 0.00 0.00 54.79 54.19 1klv n ASP 43 Cb 0.13 -0.61 -0.16 0.00 -0.72 0.00 0.00 41.12 39.77 1klv n ASP 43 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1klv s LEU 44 N 0.00 1.54 -0.09 -2.67 0.05 -1.25 -4.05 118.68 112.20 1klv s LEU 44 Ca 0.43 -0.11 -0.13 0.00 0.05 0.00 0.00 54.13 54.37 1klv s LEU 44 Cb -0.04 -0.38 -0.28 0.00 -2.05 0.00 0.00 46.19 43.44 1klv s LEU 44 CO 0.33 -0.01 0.54 0.44 -0.55 0.00 0.00 176.35 177.10 1klv h ASP 45 N 6.79 0.44 -5.01 1.48 5.19 -1.92 -3.48 116.42 119.90 1klv h ASP 45 Ca -0.36 -0.88 -0.09 0.00 -0.62 0.00 0.00 57.03 55.08 1klv h ASP 45 Cb 1.16 -0.14 -0.19 0.00 0.18 0.00 0.00 39.33 40.34 1klv h ASP 45 CO 0.48 1.70 -0.13 -1.59 -3.12 0.00 0.00 179.24 176.59 1klv s LYS 46 N -2.51 0.83 -0.61 3.56 -2.85 -1.26 -5.06 119.74 111.84 1klv s LYS 46 Ca -0.20 -0.17 0.02 0.00 -1.00 0.00 0.00 55.97 54.62 1klv s LYS 46 Cb 0.05 0.38 0.39 0.00 -2.06 0.00 0.00 37.83 36.59 1klv s LYS 46 CO 0.78 -0.26 1.51 1.63 0.10 0.00 0.00 175.35 179.12 1klv n LYS 47 N 0.93 3.14 -3.18 1.78 4.01 -1.26 -4.90 118.16 118.67 1klv n LYS 47 Ca -0.20 -4.06 0.05 0.00 -0.51 0.00 0.00 58.31 53.58 1klv n LYS 47 Cb 0.58 -2.26 -0.02 0.00 -0.51 0.00 0.00 35.03 32.82 1klv n LYS 47 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 1klv s LYS 48 N -3.77 0.30 -0.06 1.97 -2.85 -1.26 -1.55 119.74 112.51 1klv s LYS 48 Ca 0.50 0.56 -0.00 0.00 -1.00 0.00 0.00 55.97 56.02 1klv s LYS 48 Cb 0.42 0.31 -0.03 0.00 -2.06 0.00 0.00 37.83 36.47 1klv s LYS 48 CO -0.28 -0.30 -0.02 0.71 0.10 0.00 0.00 175.35 175.56 1klv s TYR 49 N 2.87 3.06 -0.71 1.78 1.51 -0.81 -4.96 117.35 120.10 1klv s TYR 49 Ca 0.04 0.11 -0.10 0.00 -1.01 0.00 0.00 57.07 56.11 1klv s TYR 49 Cb -0.11 -1.73 0.18 0.00 -0.11 0.00 0.00 41.96 40.19 1klv s TYR 49 CO -0.14 0.42 0.60 -0.51 -1.11 0.00 0.00 175.55 174.81 1klv s LEU 50 N -1.01 6.16 0.07 -1.29 1.02 -1.26 -1.93 118.68 120.43 1klv s LEU 50 Ca 0.14 -2.58 0.07 0.00 0.02 0.00 0.00 54.13 51.78 1klv s LEU 50 Cb -0.11 -2.08 -0.04 0.00 0.02 0.00 0.00 46.19 43.98 1klv s LEU 50 CO 0.04 -0.55 -0.14 0.68 0.02 0.00 0.00 176.35 176.40 1klv s VAL 51 N 0.35 3.13 0.54 -1.59 -7.23 -1.04 -4.89 120.40 109.67 1klv s VAL 51 Ca 0.15 -1.21 -0.19 0.00 -1.81 0.00 0.00 61.98 58.91 1klv s VAL 51 Cb -0.17 -2.40 -0.06 0.00 0.56 0.00 0.00 36.38 34.31 1klv s VAL 51 CO -0.05 0.22 1.11 -2.16 -0.31 0.00 0.00 175.10 173.91 1klv s PRO 52 N -1.84 3.43 0.21 4.82 0.04 -1.26 0.35 135.00 140.75 1klv s PRO 52 Ca 0.18 1.54 0.19 0.00 0.04 0.00 0.00 61.00 62.94 1klv s PRO 52 Cb -0.11 -2.02 0.87 0.00 0.04 0.00 0.00 34.50 33.28 1klv s PRO 52 CO 0.09 -0.77 1.57 0.43 0.04 0.00 0.00 177.00 178.36 1klv n SER 53 N -1.29 0.46 0.06 6.66 7.64 -1.24 -1.97 113.62 123.93 1klv n SER 53 Ca 0.11 0.66 0.12 0.00 1.01 0.00 0.00 58.87 60.77 1klv n SER 53 Cb 0.51 -0.74 0.21 0.00 -1.01 0.00 0.00 64.21 63.19 1klv n SER 53 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1klv n ASP 54 N -2.05 0.67 -4.75 6.43 2.03 -1.26 -0.89 116.55 116.72 1klv n ASP 54 Ca 0.01 0.13 -0.38 0.00 0.52 0.00 0.00 54.79 55.06 1klv n ASP 54 Cb 0.12 0.08 0.03 0.00 -0.72 0.00 0.00 41.12 40.63 1klv n ASP 54 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1klv s LEU 55 N -4.08 3.89 0.41 -2.67 1.43 -0.83 -4.84 118.68 111.98 1klv s LEU 55 Ca 0.07 2.70 -0.02 0.00 -1.03 0.00 0.00 54.13 55.85 1klv s LEU 55 Cb 0.14 -4.25 -0.03 0.00 0.03 0.00 0.00 46.19 42.08 1klv s LEU 55 CO 0.70 -1.44 0.65 0.42 0.23 0.00 0.00 176.35 176.92 1klv s THR 56 N -1.34 5.01 0.64 5.49 -4.23 -1.26 -0.84 115.64 119.12 1klv s THR 56 Ca 0.70 -0.18 0.39 0.00 -1.18 0.00 0.00 61.69 61.42 1klv s THR 56 Cb -0.39 -3.86 0.41 0.00 1.34 0.00 0.00 72.50 70.01 1klv s THR 56 CO 0.46 -0.68 2.33 0.58 -0.54 0.00 0.00 174.62 176.77 1klv h VAL 57 N 0.52 0.20 -0.31 2.29 2.07 -1.39 -1.42 116.25 118.21 1klv h VAL 57 Ca -0.48 -0.00 -0.18 0.00 0.82 0.00 0.00 66.70 66.86 1klv h VAL 57 Cb 1.21 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1klv h VAL 57 CO 0.61 0.00 -0.50 1.23 0.02 0.00 0.00 177.57 178.93 1klv h GLY 58 N 0.00 0.96 0.67 2.17 0.00 -1.84 -1.64 103.07 103.40 1klv h GLY 58 Ca -0.00 -1.08 -0.02 0.00 0.00 0.00 0.00 47.33 46.23 1klv h GLY 58 CO 0.00 0.97 -0.03 1.46 0.00 0.00 0.00 176.54 178.95 1klv h GLN 59 N 0.69 0.14 -0.57 4.80 1.08 -1.64 -2.96 115.11 116.65 1klv h GLN 59 Ca 0.03 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1klv h GLN 59 Cb 1.10 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.50 1klv h GLN 59 CO 0.11 0.49 0.36 0.35 -0.95 0.00 0.00 178.83 179.20 1klv h PHE 60 N -0.22 0.73 -0.44 2.96 3.57 -1.54 -0.44 116.94 121.56 1klv h PHE 60 Ca 0.02 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.65 1klv h PHE 60 Cb 0.45 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1klv h PHE 60 CO 0.06 0.48 0.43 -0.92 -2.23 0.00 0.00 178.31 176.14 1klv h TYR 61 N 0.77 0.00 -0.03 0.41 5.03 -1.25 -0.12 116.97 121.79 1klv h TYR 61 Ca 0.21 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.46 1klv h TYR 61 Cb -0.06 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.23 1klv h TYR 61 CO -0.03 0.00 -0.19 0.35 -1.32 0.00 0.00 178.16 176.97 1klv h PHE 62 N 0.00 0.24 0.00 -3.82 3.04 -0.91 -2.55 116.94 112.95 1klv h PHE 62 Ca 0.21 -0.11 0.00 0.00 3.98 0.00 0.00 57.97 62.05 1klv h PHE 62 Cb 1.08 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.55 1klv h PHE 62 CO 0.00 0.84 0.00 1.37 -2.02 0.00 0.00 178.31 178.50 1klv h LEU 63 N -0.42 0.00 0.12 0.59 8.10 -0.79 -3.00 115.31 119.90 1klv h LEU 63 Ca -0.02 0.00 -0.35 0.00 0.11 0.00 0.00 57.88 57.63 1klv h LEU 63 Cb 0.87 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.08 1klv h LEU 63 CO 0.04 0.00 -1.87 0.40 -4.11 0.00 0.00 178.44 172.90 1klv h ILE 64 N 0.00 0.71 -0.98 0.15 2.04 -1.39 -3.32 117.51 114.73 1klv h ILE 64 Ca 0.00 -2.35 0.28 0.00 1.00 0.00 0.00 64.86 63.78 1klv h ILE 64 Cb 0.28 2.53 -0.18 0.00 -0.74 0.00 0.00 36.82 38.70 1klv h ILE 64 CO 0.00 0.84 0.04 -2.11 0.00 0.00 0.00 178.15 176.92 1klv n ARG 65 N -3.61 -0.08 0.01 2.37 1.85 -0.96 0.12 116.66 116.37 1klv n ARG 65 Ca -0.31 1.47 -0.12 0.00 -1.00 0.00 0.00 57.85 57.89 1klv n ARG 65 Cb 1.01 -2.34 0.00 0.00 -1.05 0.00 0.00 32.46 30.08 1klv n ARG 65 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 1klv h LYS 66 N 0.00 0.57 0.00 2.89 1.57 -1.73 -2.67 116.57 117.20 1klv h LYS 66 Ca 0.61 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1klv h LYS 66 Cb 1.27 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.66 1klv h LYS 66 CO -0.92 1.06 0.00 0.54 -0.57 0.00 0.00 179.45 179.56 1klv n ARG 67 N -3.90 0.00 -0.24 3.15 5.12 0.33 -1.74 116.66 119.39 1klv n ARG 67 Ca -0.05 0.27 0.10 0.00 -1.93 0.00 0.00 57.85 56.24 1klv n ARG 67 Cb 0.69 -1.51 0.22 0.00 -1.16 0.00 0.00 32.46 30.70 1klv n ARG 67 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1klv n ILE 68 N -1.52 0.78 -2.66 0.55 5.41 0.50 -3.92 119.36 118.50 1klv n ILE 68 Ca 0.03 -0.89 -0.14 0.00 1.00 0.00 0.00 62.75 62.76 1klv n ILE 68 Cb 0.16 0.70 -0.00 0.00 -0.71 0.00 0.00 39.64 39.79 1klv n ILE 68 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1klv n HIS 69 N 1.21 -1.57 -4.04 1.39 8.25 -0.71 -1.04 115.22 118.72 1klv n HIS 69 Ca 0.18 0.11 -0.25 0.00 -0.26 0.00 0.00 57.72 57.50 1klv n HIS 69 Cb 0.54 -2.63 -0.04 0.00 1.12 0.00 0.00 29.99 28.97 1klv n HIS 69 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 1klv s LEU 70 N -5.76 4.01 0.00 2.41 0.05 -1.15 -4.56 118.68 113.68 1klv s LEU 70 Ca 0.09 -0.05 0.00 0.00 0.05 0.00 0.00 54.13 54.23 1klv s LEU 70 Cb -0.05 -2.59 0.00 0.00 -2.05 0.00 0.00 46.19 41.51 1klv s LEU 70 CO 0.11 0.03 0.00 -2.11 -0.55 0.00 0.00 176.35 173.84 1klv n ARG 71 N -0.65 0.00 0.00 1.48 1.85 -1.26 -4.71 116.66 113.37 1klv n ARG 71 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 1klv n ARG 71 Cb 0.55 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.96 1klv n ARG 71 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1klv n ALA 72 N -3.00 0.00 -2.05 2.89 0.00 -1.26 -1.77 120.51 115.32 1klv n ALA 72 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1klv n ALA 72 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1klv n ALA 72 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1klv n GLU 73 N 0.00 0.00 -0.62 0.00 0.28 -1.26 -5.13 120.64 113.91 1klv n GLU 73 Ca 0.00 -0.79 -0.20 0.00 -0.16 0.00 0.00 57.16 56.01 1klv n GLU 73 Cb 0.00 0.22 0.12 0.00 1.43 0.00 0.00 31.44 33.21 1klv n GLU 73 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1klv n ASP 74 N 0.05 -2.80 -4.59 -1.84 2.03 -0.73 -4.97 116.55 103.72 1klv n ASP 74 Ca -0.13 -0.27 -0.33 0.00 0.52 0.00 0.00 54.79 54.58 1klv n ASP 74 Cb 0.69 -0.74 -0.11 0.00 -0.72 0.00 0.00 41.12 40.24 1klv n ASP 74 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1klv s ALA 75 N -2.08 2.99 0.06 -1.67 0.00 -1.26 -5.00 121.76 114.80 1klv s ALA 75 Ca 0.35 -0.99 -0.22 0.00 0.00 0.00 0.00 51.96 51.10 1klv s ALA 75 Cb -0.05 -1.14 0.05 0.00 0.00 0.00 0.00 23.12 21.98 1klv s ALA 75 CO 0.37 0.60 0.51 -1.17 0.00 0.00 0.00 175.76 176.07 1klv s LEU 76 N -1.24 -0.04 -0.20 0.00 2.96 -1.26 -4.66 118.68 114.24 1klv s LEU 76 Ca 0.16 0.11 -0.08 0.00 -0.22 0.00 0.00 54.13 54.10 1klv s LEU 76 Cb -0.11 2.11 0.08 0.00 0.50 0.00 0.00 46.19 48.77 1klv s LEU 76 CO 0.06 -0.74 0.44 -0.36 -1.32 0.00 0.00 176.35 174.43 1klv s PHE 77 N -2.64 -0.79 0.02 5.38 0.08 -0.82 -5.01 117.98 114.21 1klv s PHE 77 Ca -0.04 1.54 -0.21 0.00 0.12 0.00 0.00 56.93 58.33 1klv s PHE 77 Cb -0.00 0.34 -0.06 0.00 -0.57 0.00 0.00 43.02 42.73 1klv s PHE 77 CO -0.03 -0.46 0.62 -0.06 -0.10 0.00 0.00 175.22 175.19 1klv s PHE 78 N 2.25 3.72 -0.19 0.36 0.08 -1.26 -2.52 117.98 120.42 1klv s PHE 78 Ca -0.05 1.26 0.01 0.00 0.12 0.00 0.00 56.93 58.28 1klv s PHE 78 Cb -0.11 -2.63 0.02 0.00 -0.57 0.00 0.00 43.02 39.74 1klv s PHE 78 CO -0.13 0.38 -0.19 -0.06 -0.10 0.00 0.00 175.22 175.12 1klv s PHE 79 N -0.35 2.78 -0.23 0.36 0.40 -0.41 -4.64 117.98 115.90 1klv s PHE 79 Ca 0.32 -1.69 0.02 0.00 -0.60 0.00 0.00 56.93 54.98 1klv s PHE 79 Cb -0.19 -1.90 0.05 0.00 0.51 0.00 0.00 43.02 41.49 1klv s PHE 79 CO 0.19 -0.81 -0.12 0.08 0.70 0.00 0.00 175.22 175.26 1klv s VAL 80 N 1.29 2.00 -1.33 -0.44 1.01 -0.86 -2.51 120.40 119.56 1klv s VAL 80 Ca 0.04 -1.38 -0.07 0.00 0.00 0.00 0.00 61.98 60.57 1klv s VAL 80 Cb -0.14 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.18 1klv s VAL 80 CO -0.12 0.09 1.15 -3.20 0.00 0.00 0.00 175.10 173.02 1klv n ASN 81 N 4.53 -5.43 -2.54 3.32 2.85 -1.26 -1.80 115.26 114.92 1klv n ASN 81 Ca -0.15 -0.56 -0.19 0.00 -0.11 0.00 0.00 54.58 53.57 1klv n ASN 81 Cb 0.44 -5.05 0.03 0.00 1.24 0.00 0.00 39.78 36.44 1klv n ASN 81 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1klv n ASN 82 N -3.04 -5.47 -4.29 1.20 2.85 -1.26 -4.99 115.26 100.25 1klv n ASN 82 Ca -0.06 -0.22 -0.15 0.00 -0.11 0.00 0.00 54.58 54.04 1klv n ASN 82 Cb 0.58 -4.34 -0.10 0.00 1.24 0.00 0.00 39.78 37.16 1klv n ASN 82 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1klv s VAL 83 N -3.07 0.61 -0.46 3.44 1.01 -0.75 -5.10 120.40 116.09 1klv s VAL 83 Ca 0.23 -2.00 0.07 0.00 0.00 0.00 0.00 61.98 60.28 1klv s VAL 83 Cb -0.10 -2.46 0.26 0.00 0.00 0.00 0.00 36.38 34.08 1klv s VAL 83 CO 0.28 -0.16 0.85 -0.38 0.00 0.00 0.00 175.10 175.69 1klv n ILE 84 N -0.39 -0.14 -1.44 2.22 -0.00 -1.26 -2.03 119.36 116.32 1klv n ILE 84 Ca -0.02 -2.16 -0.31 0.00 -0.00 0.00 0.00 62.75 60.26 1klv n ILE 84 Cb 0.65 0.74 0.07 0.00 -0.00 0.00 0.00 39.64 41.10 1klv n ILE 84 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1klv s PRO 85 N 0.07 2.65 1.07 0.38 0.04 -1.26 -5.05 135.00 132.91 1klv s PRO 85 Ca 0.31 1.04 -0.18 0.00 0.04 0.00 0.00 61.00 62.21 1klv s PRO 85 Cb 0.24 -1.95 0.26 0.00 0.04 0.00 0.00 34.50 33.09 1klv s PRO 85 CO -0.18 -1.33 1.04 -0.35 0.04 0.00 0.00 177.00 176.22 1klv n PRO 86 N -3.29 -2.61 -0.27 0.56 -0.04 -1.26 -4.90 135.00 123.19 1klv n PRO 86 Ca 0.08 -1.65 0.02 0.00 -0.04 0.00 0.00 63.50 61.91 1klv n PRO 86 Cb 0.53 -1.44 0.12 0.00 -0.04 0.00 0.00 33.50 32.67 1klv n PRO 86 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1klv n THR 87 N -4.46 0.86 -1.29 0.52 -2.24 -1.26 -4.23 114.28 102.18 1klv n THR 87 Ca 0.14 -0.42 -0.29 0.00 -2.27 0.00 0.00 64.05 61.21 1klv n THR 87 Cb 0.53 -0.46 0.04 0.00 -2.10 0.00 0.00 70.33 68.35 1klv n THR 87 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1klv n SER 88 N 0.18 7.13 -0.97 3.42 2.88 -1.26 -4.24 113.62 120.75 1klv n SER 88 Ca 0.09 -3.49 0.00 0.00 -1.33 0.00 0.00 58.87 54.14 1klv n SER 88 Cb 0.55 -1.05 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 1klv n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1klv n ALA 89 N -0.22 0.00 -2.88 -1.46 0.00 -1.26 -5.03 120.51 109.67 1klv n ALA 89 Ca 0.49 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.81 1klv n ALA 89 Cb 0.56 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.88 1klv n ALA 89 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1klv s THR 90 N -2.23 0.11 0.24 0.00 -4.23 -1.26 -1.34 115.64 106.93 1klv s THR 90 Ca 0.00 -0.32 -0.05 0.00 -1.18 0.00 0.00 61.69 60.14 1klv s THR 90 Cb 0.00 -0.15 0.21 0.00 1.34 0.00 0.00 72.50 73.90 1klv s THR 90 CO 0.00 -0.13 1.71 0.24 -0.54 0.00 0.00 174.62 175.90 1klv h MET 91 N 5.66 0.35 -0.59 3.99 2.86 -1.17 -0.61 114.93 125.42 1klv h MET 91 Ca -0.27 -0.02 0.12 0.00 -2.06 0.00 0.00 59.70 57.47 1klv h MET 91 Cb 1.21 -0.08 -0.10 0.00 0.06 0.00 0.00 31.60 32.69 1klv h MET 91 CO 0.48 0.23 -0.02 0.78 1.06 0.00 0.00 176.91 179.44 1klv h GLY 92 N 0.36 0.59 1.84 8.32 0.00 -1.17 0.19 103.07 113.20 1klv h GLY 92 Ca 0.40 0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.78 1klv h GLY 92 CO -0.43 -0.20 -0.16 0.06 0.00 0.00 0.00 176.54 175.81 1klv h GLN 93 N 0.10 0.20 0.00 4.80 3.07 -1.26 -1.86 115.11 120.16 1klv h GLN 93 Ca 0.30 -0.05 -0.03 0.00 0.09 0.00 0.00 58.65 58.97 1klv h GLN 93 Cb 0.49 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.02 1klv h GLN 93 CO -0.52 0.37 -0.14 1.37 0.09 0.00 0.00 178.83 180.00 1klv h LEU 94 N 0.19 0.00 -0.42 0.06 8.10 -0.14 -3.15 115.31 119.96 1klv h LEU 94 Ca 0.04 0.00 0.08 0.00 0.11 0.00 0.00 57.88 58.11 1klv h LEU 94 Cb 0.40 0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 40.53 1klv h LEU 94 CO 0.03 0.14 -0.28 0.22 -4.11 0.00 0.00 178.44 174.43 1klv h TYR 95 N 0.00 -0.76 0.00 0.17 3.20 -0.58 0.35 116.97 119.35 1klv h TYR 95 Ca -0.00 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1klv h TYR 95 Cb 0.53 0.40 -0.00 0.00 1.54 0.00 0.00 36.73 39.19 1klv h TYR 95 CO 0.00 -0.35 -0.05 0.37 -1.64 0.00 0.00 178.16 176.49 1klv h GLN 96 N -0.20 0.00 0.00 1.82 -0.00 -1.72 -2.80 115.11 112.21 1klv h GLN 96 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.84 1klv h GLN 96 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.99 1klv h GLN 96 CO -0.53 0.05 -0.13 0.93 0.00 0.00 0.00 178.83 179.15 1klv h GLU 97 N 0.00 0.00 -1.18 1.69 5.08 -0.50 -3.39 114.58 116.28 1klv h GLU 97 Ca -0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 1klv h GLU 97 Cb 0.54 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.54 1klv h GLU 97 CO 0.01 0.00 0.77 0.72 -1.00 0.00 0.00 179.01 179.51 1klv n HIS 98 N -3.67 2.81 -0.64 4.33 8.25 0.32 -4.97 115.22 121.64 1klv n HIS 98 Ca -0.02 -2.74 -0.14 0.00 -0.26 0.00 0.00 57.72 54.57 1klv n HIS 98 Cb 0.07 -1.33 0.12 0.00 1.12 0.00 0.00 29.99 29.96 1klv n HIS 98 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1klv n HIS 99 N -0.58 -3.31 -2.36 4.41 -0.00 -1.06 -2.65 115.22 109.68 1klv n HIS 99 Ca 0.55 -0.44 0.00 0.00 0.46 0.00 0.00 57.72 58.29 1klv n HIS 99 Cb 0.62 -0.53 0.00 0.00 -0.12 0.00 0.00 29.99 29.96 1klv n HIS 99 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1klv n GLU 100 N -3.14 0.00 0.00 1.57 -0.58 -1.25 -4.60 120.64 112.65 1klv n GLU 100 Ca 0.07 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.91 1klv n GLU 100 Cb 0.27 0.00 0.60 0.00 -0.57 0.00 0.00 31.44 31.73 1klv n GLU 100 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1klv n GLU 101 N 0.00 0.77 -4.12 3.49 2.13 -1.26 -4.72 120.64 116.93 1klv n GLU 101 Ca 0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 1klv n GLU 101 Cb 0.00 -1.41 -0.13 0.00 0.27 0.00 0.00 31.44 30.18 1klv n GLU 101 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1klv s ASP 102 N -1.86 0.85 0.57 4.31 -1.08 -1.26 -5.00 116.67 113.20 1klv s ASP 102 Ca 0.30 -0.38 0.39 0.00 -0.52 0.00 0.00 52.55 52.33 1klv s ASP 102 Cb 0.14 -0.01 1.33 0.00 -1.46 0.00 0.00 42.92 42.91 1klv s ASP 102 CO 0.23 -0.09 1.40 0.49 0.52 0.00 0.00 175.17 177.73 1klv n PHE 103 N 2.02 0.00 -2.20 -5.34 3.72 -1.26 -4.37 117.46 110.02 1klv n PHE 103 Ca -0.19 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.89 1klv n PHE 103 Cb 0.56 -0.38 -0.01 0.00 -0.94 0.00 0.00 39.48 38.71 1klv n PHE 103 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1klv s PHE 104 N -4.61 3.27 0.44 1.38 0.08 -1.26 -4.81 117.98 112.47 1klv s PHE 104 Ca -0.04 1.47 0.08 0.00 0.12 0.00 0.00 56.93 58.56 1klv s PHE 104 Cb 0.20 -2.87 0.01 0.00 -0.57 0.00 0.00 43.02 39.79 1klv s PHE 104 CO 0.68 -0.70 0.51 -0.48 -0.10 0.00 0.00 175.22 175.13 1klv s LEU 105 N -4.35 3.47 -0.13 -0.37 0.05 -1.04 -3.84 118.68 112.46 1klv s LEU 105 Ca 0.60 -0.62 0.02 0.00 0.05 0.00 0.00 54.13 54.19 1klv s LEU 105 Cb -0.12 -2.28 0.00 0.00 -2.05 0.00 0.00 46.19 41.74 1klv s LEU 105 CO 0.36 -0.78 -0.19 -0.31 -0.55 0.00 0.00 176.35 174.87 1klv s TYR 106 N -2.44 2.70 -0.00 3.48 1.51 -1.09 -0.94 117.35 120.56 1klv s TYR 106 Ca 0.52 -1.10 -0.02 0.00 -1.01 0.00 0.00 57.07 55.46 1klv s TYR 106 Cb -0.07 -1.82 -0.00 0.00 -0.11 0.00 0.00 41.96 39.96 1klv s TYR 106 CO 0.31 -0.48 0.04 0.42 -1.11 0.00 0.00 175.55 174.74 1klv s ILE 107 N 0.65 0.05 0.13 2.71 1.01 -0.11 -4.05 121.20 121.59 1klv s ILE 107 Ca -0.10 -0.39 -0.08 0.00 0.00 0.00 0.00 60.65 60.08 1klv s ILE 107 Cb -0.16 -0.19 -0.01 0.00 0.01 0.00 0.00 42.46 42.11 1klv s ILE 107 CO 0.02 -0.21 0.22 0.00 0.00 0.00 0.00 174.94 174.97 1klv s ALA 108 N -0.65 -0.01 0.20 9.38 0.00 -1.04 -1.68 121.76 127.95 1klv s ALA 108 Ca -0.07 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.08 1klv s ALA 108 Cb -0.04 0.70 -0.05 0.00 0.00 0.00 0.00 23.12 23.73 1klv s ALA 108 CO -0.00 -0.57 0.02 1.52 0.00 0.00 0.00 175.76 176.73 1klv s TYR 109 N -3.93 1.34 0.36 0.00 1.13 -0.95 -1.28 117.35 114.03 1klv s TYR 109 Ca 0.13 -1.03 -0.16 0.00 -1.41 0.00 0.00 57.07 54.59 1klv s TYR 109 Cb 0.04 -0.77 0.05 0.00 -1.10 0.00 0.00 41.96 40.18 1klv s TYR 109 CO -0.04 -0.21 0.76 0.45 -2.51 0.00 0.00 175.55 174.00 1klv s SER 110 N -3.22 0.01 -0.25 -0.18 0.15 -1.05 -2.05 113.70 107.12 1klv s SER 110 Ca 0.28 -1.08 0.13 0.00 0.70 0.00 0.00 55.95 55.98 1klv s SER 110 Cb 0.06 0.82 0.46 0.00 -1.71 0.00 0.00 66.02 65.66 1klv s SER 110 CO 0.07 -1.61 1.17 -0.67 1.20 0.00 0.00 173.24 173.40 1klv n ASP 111 N -1.24 3.24 -1.71 5.45 -0.08 -1.26 -1.95 116.55 118.99 1klv n ASP 111 Ca -0.07 -3.20 0.00 0.00 -1.51 0.00 0.00 54.79 50.01 1klv n ASP 111 Cb 0.60 -0.40 0.00 0.00 2.34 0.00 0.00 41.12 43.66 1klv n ASP 111 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1klv n GLU 112 N -0.65 -4.81 -2.51 -0.67 1.02 -1.26 -4.91 120.64 106.86 1klv n GLU 112 Ca 0.27 3.49 -0.19 0.00 -0.02 0.00 0.00 57.16 60.71 1klv n GLU 112 Cb 0.90 -3.87 0.01 0.00 -0.02 0.00 0.00 31.44 28.46 1klv n GLU 112 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1klv n SER 113 N 0.15 3.54 -4.18 1.62 3.41 -1.26 -4.96 113.62 111.95 1klv n SER 113 Ca 0.00 -3.31 -0.35 0.00 -0.26 0.00 0.00 58.87 54.95 1klv n SER 113 Cb 0.00 -0.47 0.11 0.00 -0.26 0.00 0.00 64.21 63.59 1klv n SER 113 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1klv n VAL 114 N -0.39 0.00 -1.54 -3.33 3.14 -1.26 -4.48 118.33 110.48 1klv n VAL 114 Ca 0.28 -0.20 -0.16 0.00 -2.96 0.00 0.00 64.34 61.30 1klv n VAL 114 Cb 0.75 -0.36 -0.12 0.00 -1.06 0.00 0.00 33.84 33.05 1klv n VAL 114 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1klv n TYR 115 N -3.90 0.78 -3.83 1.45 9.36 -1.26 -4.79 117.16 114.97 1klv n TYR 115 Ca 0.00 -0.02 -0.09 0.00 3.32 0.00 0.00 57.90 61.12 1klv n TYR 115 Cb 0.66 -1.93 -0.03 0.00 -0.63 0.00 0.00 39.34 37.40 1klv n TYR 115 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1klv s GLY 116 N 7.31 0.04 0.00 2.98 0.00 -1.26 -5.34 107.32 111.06 1klv s GLY 116 Ca 1.04 -0.39 0.07 0.00 0.00 0.00 0.00 44.72 45.44 1klv s GLY 116 CO 0.24 -0.28 0.89 1.04 0.00 0.00 0.00 173.10 174.99