#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 0.50 -0.01 1.61 4.22 -2.01 0.22 114.58 119.11 1klv h GLU 19 Ca 0.00 -0.03 -0.20 0.00 0.08 0.00 0.00 59.36 59.21 1klv h GLU 19 Cb 0.00 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1klv h GLU 19 CO 0.00 0.33 -0.87 -0.22 -2.18 0.00 0.00 179.01 176.08 1klv h LYS 20 N 0.52 0.30 0.00 1.92 1.63 -2.04 -3.02 116.57 115.88 1klv h LYS 20 Ca 0.62 -0.31 0.00 0.00 -0.85 0.00 0.00 60.65 60.11 1klv h LYS 20 Cb 1.31 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 33.03 1klv h LYS 20 CO -0.39 1.00 0.00 0.82 -3.45 0.00 0.00 179.45 177.44 1klv h ILE 21 N 0.18 0.00 0.00 2.00 5.03 -0.98 -2.32 117.51 121.42 1klv h ILE 21 Ca -0.05 0.00 -0.03 0.00 -0.12 0.00 0.00 64.86 64.66 1klv h ILE 21 Cb 1.49 0.75 -0.00 0.00 -3.03 0.00 0.00 36.82 36.02 1klv h ILE 21 CO 0.14 0.00 -0.17 -0.09 -0.68 0.00 0.00 178.15 177.35 1klv h ARG 22 N 0.00 0.00 -0.76 2.37 1.12 -1.36 -0.32 114.38 115.43 1klv h ARG 22 Ca 0.00 0.00 0.06 0.00 -1.11 0.00 0.00 59.98 58.93 1klv h ARG 22 Cb 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 29.97 29.90 1klv h ARG 22 CO 0.00 0.95 0.45 0.87 -3.11 0.00 0.00 179.97 179.13 1klv h LYS 23 N -1.00 0.79 0.04 0.20 1.57 -1.50 0.38 116.57 117.04 1klv h LYS 23 Ca -0.05 -0.05 -0.19 0.00 -1.87 0.00 0.00 60.65 58.50 1klv h LYS 23 Cb 1.00 -0.18 0.02 0.00 0.08 0.00 0.00 32.23 33.15 1klv h LYS 23 CO -0.03 0.52 -0.77 0.87 -0.57 0.00 0.00 179.45 179.48 1klv h LYS 24 N 0.81 0.45 -2.31 3.15 1.57 -1.58 -3.36 116.57 115.31 1klv h LYS 24 Ca 0.34 -0.54 -0.66 0.00 -1.87 0.00 0.00 60.65 57.93 1klv h LYS 24 Cb 0.20 0.16 -0.38 0.00 0.08 0.00 0.00 32.23 32.30 1klv h LYS 24 CO -0.19 1.19 -0.15 0.66 -0.57 0.00 0.00 179.45 180.39 1klv n TYR 25 N -4.11 3.57 0.56 -1.35 4.01 -0.13 -4.79 117.16 114.92 1klv n TYR 25 Ca -0.11 -3.60 0.10 0.00 -0.16 0.00 0.00 57.90 54.12 1klv n TYR 25 Cb 0.76 -0.72 0.41 0.00 -0.31 0.00 0.00 39.34 39.49 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 0.11 0.07 -0.32 -0.72 -0.04 0.13 -2.40 135.00 131.83 1klv n PRO 26 Ca 0.34 0.25 0.11 0.00 -0.04 0.00 0.00 63.50 64.16 1klv n PRO 26 Cb 0.36 -1.62 0.28 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.74 3.74 -1.97 3.54 -0.08 -1.26 -4.96 116.55 113.81 1klv n ASP 27 Ca 0.04 -1.99 0.00 0.00 -1.51 0.00 0.00 54.79 51.32 1klv n ASP 27 Cb 0.23 -0.42 0.00 0.00 2.34 0.00 0.00 41.12 43.27 1klv n ASP 27 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1klv n ARG 28 N 1.45 1.37 -3.43 -0.67 3.00 -1.01 -3.29 116.66 114.08 1klv n ARG 28 Ca 0.22 0.00 -0.16 0.00 -0.01 0.00 0.00 57.85 57.90 1klv n ARG 28 Cb 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.94 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 0.33 -0.42 -0.97 1.55 1.01 0.24 -4.52 120.40 117.62 1klv s VAL 29 Ca 0.00 -0.19 -0.24 0.00 0.00 0.00 0.00 61.98 61.56 1klv s VAL 29 Cb 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 36.38 35.62 1klv s VAL 29 CO 0.00 -0.24 1.54 -2.16 0.00 0.00 0.00 175.10 174.24 1klv s PRO 30 N 2.39 3.34 -0.06 2.72 0.04 -1.26 -2.59 135.00 139.59 1klv s PRO 30 Ca 0.09 -0.87 -0.19 0.00 0.04 0.00 0.00 61.00 60.08 1klv s PRO 30 Cb -0.15 -5.20 -0.05 0.00 0.04 0.00 0.00 34.50 29.13 1klv s PRO 30 CO -0.18 -2.45 0.51 0.14 0.04 0.00 0.00 177.00 175.07 1klv s VAL 31 N 6.12 5.05 -0.11 -0.36 -7.23 -0.60 -2.60 120.40 120.67 1klv s VAL 31 Ca 0.50 1.05 -0.13 0.00 -1.81 0.00 0.00 61.98 61.59 1klv s VAL 31 Cb -0.02 -3.85 -0.05 0.00 0.56 0.00 0.00 36.38 33.02 1klv s VAL 31 CO -0.06 0.40 0.31 -0.63 -0.31 0.00 0.00 175.10 174.81 1klv s ILE 32 N 0.05 5.26 -0.08 -0.62 -1.09 -0.58 -1.20 121.20 122.94 1klv s ILE 32 Ca 0.28 0.60 0.02 0.00 -2.23 0.00 0.00 60.65 59.32 1klv s ILE 32 Cb -0.17 -3.63 0.01 0.00 -1.58 0.00 0.00 42.46 37.09 1klv s ILE 32 CO 0.13 0.46 -0.14 0.54 -1.23 0.00 0.00 174.94 174.70 1klv s VAL 33 N -0.09 1.33 0.13 2.92 0.11 -0.68 -1.23 120.40 122.90 1klv s VAL 33 Ca 0.19 -0.57 0.04 0.00 -2.93 0.00 0.00 61.98 58.70 1klv s VAL 33 Cb -0.14 -1.21 -0.04 0.00 -1.53 0.00 0.00 36.38 33.46 1klv s VAL 33 CO 0.07 0.40 -0.09 -0.70 -3.33 0.00 0.00 175.10 171.44 1klv s GLU 34 N 0.77 0.99 0.54 1.54 -6.30 -0.63 -4.57 118.70 111.03 1klv s GLU 34 Ca -0.12 -1.40 -0.05 0.00 -2.50 0.00 0.00 54.97 50.91 1klv s GLU 34 Cb -0.16 -0.53 -0.01 0.00 0.00 0.00 0.00 34.13 33.44 1klv s GLU 34 CO 0.02 0.06 0.84 0.21 0.02 0.00 0.00 175.26 176.41 1klv s LYS 35 N -3.66 3.12 0.66 4.30 2.47 -1.26 -2.04 119.74 123.32 1klv s LYS 35 Ca 0.14 -0.02 -0.11 0.00 -1.56 0.00 0.00 55.97 54.43 1klv s LYS 35 Cb 0.03 -2.34 0.17 0.00 -1.46 0.00 0.00 37.83 34.22 1klv s LYS 35 CO -0.01 -0.50 0.49 0.00 0.16 0.00 0.00 175.35 175.49 1klv n ALA 36 N -2.42 -2.09 -2.28 3.13 0.00 -0.74 -4.77 120.51 111.34 1klv n ALA 36 Ca 0.03 -0.78 -0.43 0.00 0.00 0.00 0.00 53.44 52.26 1klv n ALA 36 Cb 0.57 -0.06 -0.02 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 -4.13 3.97 -1.07 0.00 0.04 -1.26 -3.16 135.00 129.40 1klv s PRO 37 Ca 0.34 1.57 -0.06 0.00 0.04 0.00 0.00 61.00 62.89 1klv s PRO 37 Cb -0.04 -3.91 0.01 0.00 0.04 0.00 0.00 34.50 30.59 1klv s PRO 37 CO 0.27 -1.05 0.92 1.63 0.04 0.00 0.00 177.00 178.81 1klv n LYS 38 N 7.25 -6.20 -0.77 4.56 4.76 -1.26 -4.99 118.16 121.50 1klv n LYS 38 Ca 0.16 0.67 -0.30 0.00 -2.87 0.00 0.00 58.31 55.98 1klv n LYS 38 Cb 0.45 -5.23 0.25 0.00 -1.84 0.00 0.00 35.03 28.66 1klv n LYS 38 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1klv s ALA 39 N -3.27 -0.01 -0.10 7.82 0.00 -1.19 -5.00 121.76 120.02 1klv s ALA 39 Ca 0.37 -0.65 0.14 0.00 0.00 0.00 0.00 51.96 51.82 1klv s ALA 39 Cb -0.16 -3.01 0.29 0.00 0.00 0.00 0.00 23.12 20.23 1klv s ALA 39 CO 0.59 -3.85 1.16 2.89 0.00 0.00 0.00 175.76 176.55 1klv n ARG 40 N -4.98 0.49 -2.78 0.00 1.85 -1.26 -5.05 116.66 104.93 1klv n ARG 40 Ca 0.09 -1.75 -0.22 0.00 -1.00 0.00 0.00 57.85 54.97 1klv n ARG 40 Cb 0.58 -0.00 0.09 0.00 -1.05 0.00 0.00 32.46 32.08 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 -0.57 2.16 1.02 8.89 -5.25 -1.26 -5.03 121.20 121.17 1klv s ILE 41 Ca 0.17 -0.77 -0.26 0.00 -0.99 0.00 0.00 60.65 58.80 1klv s ILE 41 Cb 0.25 -2.39 -0.14 0.00 2.95 0.00 0.00 42.46 43.14 1klv s ILE 41 CO -0.08 0.00 -1.23 0.61 -1.79 0.00 0.00 174.94 172.45 1klv n GLY 42 N -2.58 -2.96 2.52 6.27 0.00 0.12 -4.95 105.19 103.61 1klv n GLY 42 Ca 0.15 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 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 2.47 -0.16 -3.84 1.61 -0.08 -1.26 -4.74 116.55 110.55 1klv n ASP 43 Ca -0.01 -1.27 -0.14 0.00 -1.51 0.00 0.00 54.79 51.86 1klv n ASP 43 Cb 0.72 -0.67 -0.15 0.00 2.34 0.00 0.00 41.12 43.36 1klv n ASP 43 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1klv s LEU 44 N 0.00 1.63 0.02 -2.67 2.01 -1.26 -4.33 118.68 114.08 1klv s LEU 44 Ca 0.50 0.00 0.11 0.00 0.01 0.00 0.00 54.13 54.75 1klv s LEU 44 Cb -0.02 -0.07 -0.21 0.00 0.01 0.00 0.00 46.19 45.90 1klv s LEU 44 CO 0.35 -0.04 0.90 -0.78 1.01 0.00 0.00 176.35 177.78 1klv h ASP 45 N 6.61 0.00 -5.00 2.29 3.58 -1.99 -3.47 116.42 118.44 1klv h ASP 45 Ca -0.33 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.02 1klv h ASP 45 Cb 1.17 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 42.03 1klv h ASP 45 CO 0.50 0.97 -0.09 -1.59 -2.88 0.00 0.00 179.24 176.15 1klv s LYS 46 N -2.66 0.83 -0.57 0.28 0.00 -1.26 -5.06 119.74 111.30 1klv s LYS 46 Ca -0.02 -0.03 0.02 0.00 0.00 0.00 0.00 55.97 55.94 1klv s LYS 46 Cb 0.09 0.38 0.41 0.00 0.00 0.00 0.00 37.83 38.70 1klv s LYS 46 CO 0.82 -0.24 1.52 1.63 0.00 0.00 0.00 175.35 179.07 1klv n LYS 47 N 1.10 3.16 -3.25 1.78 4.01 -1.26 -4.90 118.16 118.81 1klv n LYS 47 Ca -0.21 -4.00 0.02 0.00 -0.51 0.00 0.00 58.31 53.61 1klv n LYS 47 Cb 0.56 -2.27 -0.02 0.00 -0.51 0.00 0.00 35.03 32.80 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 -3.75 0.56 -0.08 1.97 -2.85 -1.26 -1.69 119.74 112.64 1klv s LYS 48 Ca 0.52 1.05 -0.03 0.00 -1.00 0.00 0.00 55.97 56.51 1klv s LYS 48 Cb 0.43 0.55 -0.04 0.00 -2.06 0.00 0.00 37.83 36.71 1klv s LYS 48 CO -0.20 -0.55 0.07 0.71 0.10 0.00 0.00 175.35 175.48 1klv s TYR 49 N 2.85 3.35 -0.63 1.78 1.51 -0.34 -4.93 117.35 120.95 1klv s TYR 49 Ca 0.16 0.32 -0.07 0.00 -1.01 0.00 0.00 57.07 56.47 1klv s TYR 49 Cb -0.15 -1.84 0.16 0.00 -0.11 0.00 0.00 41.96 40.03 1klv s TYR 49 CO -0.20 0.59 0.49 -1.17 -1.11 0.00 0.00 175.55 174.14 1klv s LEU 50 N -1.12 5.73 0.18 -1.29 2.96 -1.26 -1.55 118.68 122.34 1klv s LEU 50 Ca 0.16 -2.55 0.10 0.00 -0.22 0.00 0.00 54.13 51.62 1klv s LEU 50 Cb -0.12 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 1klv s LEU 50 CO 0.05 -0.51 -0.19 0.68 -1.32 0.00 0.00 176.35 175.07 1klv s VAL 51 N 0.39 2.67 0.47 1.68 -7.23 -1.07 -4.84 120.40 112.46 1klv s VAL 51 Ca 0.14 -1.87 -0.22 0.00 -1.81 0.00 0.00 61.98 58.21 1klv s VAL 51 Cb -0.19 -2.29 -0.07 0.00 0.56 0.00 0.00 36.38 34.38 1klv s VAL 51 CO -0.04 -0.10 1.15 -2.16 -0.31 0.00 0.00 175.10 173.63 1klv s PRO 52 N -2.70 3.73 0.31 4.82 0.04 -1.26 0.81 135.00 140.75 1klv s PRO 52 Ca 0.22 1.72 0.22 0.00 0.04 0.00 0.00 61.00 63.20 1klv s PRO 52 Cb -0.08 -2.35 1.13 0.00 0.04 0.00 0.00 34.50 33.24 1klv s PRO 52 CO 0.12 -0.56 1.68 0.43 0.04 0.00 0.00 177.00 178.70 1klv n SER 53 N -0.59 0.59 0.04 6.66 7.64 -1.21 -1.63 113.62 125.13 1klv n SER 53 Ca 0.08 0.74 0.13 0.00 1.01 0.00 0.00 58.87 60.83 1klv n SER 53 Cb 0.49 -0.83 0.38 0.00 -1.01 0.00 0.00 64.21 63.23 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 -2.26 0.48 -4.77 6.43 -0.08 -1.26 -0.38 116.55 114.72 1klv n ASP 54 Ca -0.01 0.27 -0.40 0.00 -1.51 0.00 0.00 54.79 53.14 1klv n ASP 54 Cb 0.08 -0.26 0.01 0.00 2.34 0.00 0.00 41.12 43.29 1klv n ASP 54 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1klv s LEU 55 N -3.69 4.20 0.49 -2.67 1.43 -0.65 -4.85 118.68 112.94 1klv s LEU 55 Ca 0.11 2.88 -0.01 0.00 -1.03 0.00 0.00 54.13 56.07 1klv s LEU 55 Cb 0.16 -3.85 0.00 0.00 0.03 0.00 0.00 46.19 42.52 1klv s LEU 55 CO 0.63 -1.00 0.73 0.42 0.23 0.00 0.00 176.35 177.36 1klv s THR 56 N -1.19 3.86 0.61 5.49 -4.23 -1.26 -0.94 115.64 117.97 1klv s THR 56 Ca 0.58 -0.38 0.41 0.00 -1.18 0.00 0.00 61.69 61.11 1klv s THR 56 Cb -0.43 -3.45 0.42 0.00 1.34 0.00 0.00 72.50 70.38 1klv s THR 56 CO 0.56 -0.35 2.32 0.58 -0.54 0.00 0.00 174.62 177.19 1klv h VAL 57 N 0.25 0.11 -0.26 2.29 2.07 -1.34 -1.75 116.25 117.62 1klv h VAL 57 Ca -0.46 -0.05 -0.19 0.00 0.82 0.00 0.00 66.70 66.82 1klv h VAL 57 Cb 1.26 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1klv h VAL 57 CO 0.58 0.00 -0.57 1.23 0.02 0.00 0.00 177.57 178.83 1klv h GLY 58 N 0.17 0.93 0.72 2.17 0.00 -1.85 -1.52 103.07 103.68 1klv h GLY 58 Ca -0.00 -1.12 -0.03 0.00 0.00 0.00 0.00 47.33 46.18 1klv h GLY 58 CO 0.00 1.00 -0.03 1.46 0.00 0.00 0.00 176.54 178.97 1klv h GLN 59 N 0.62 0.21 -0.69 4.80 1.08 -1.70 -2.99 115.11 116.44 1klv h GLN 59 Ca 0.00 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1klv h GLN 59 Cb 1.18 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.57 1klv h GLN 59 CO 0.13 0.53 0.42 0.35 -0.95 0.00 0.00 178.83 179.30 1klv h PHE 60 N -0.12 0.90 -0.14 2.96 3.57 -1.55 -0.21 116.94 122.35 1klv h PHE 60 Ca 0.03 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1klv h PHE 60 Cb 0.45 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1klv h PHE 60 CO 0.06 0.61 0.31 -0.92 -2.23 0.00 0.00 178.31 176.14 1klv h TYR 61 N 0.94 0.00 0.01 0.41 5.03 -1.18 -2.16 116.97 120.01 1klv h TYR 61 Ca 0.25 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.56 1klv h TYR 61 Cb -0.03 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.25 1klv h TYR 61 CO -0.01 0.00 -0.01 0.35 -1.32 0.00 0.00 178.16 177.17 1klv h PHE 62 N 0.00 -0.02 -0.02 -3.82 3.04 -0.89 -2.58 116.94 112.65 1klv h PHE 62 Ca 0.07 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.02 1klv h PHE 62 Cb 0.70 0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.21 1klv h PHE 62 CO 0.00 0.52 0.02 1.37 -2.02 0.00 0.00 178.31 178.20 1klv h LEU 63 N -0.99 0.00 0.16 0.59 8.10 -1.20 -2.46 115.31 119.51 1klv h LEU 63 Ca -0.00 0.00 -0.29 0.00 0.11 0.00 0.00 57.88 57.70 1klv h LEU 63 Cb 0.55 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.78 1klv h LEU 63 CO 0.00 0.00 -1.41 0.40 -4.11 0.00 0.00 178.44 173.32 1klv h ILE 64 N 0.00 1.12 -0.78 0.15 2.04 -1.58 -3.23 117.51 115.23 1klv h ILE 64 Ca 0.01 -2.49 0.07 0.00 1.00 0.00 0.00 64.86 63.45 1klv h ILE 64 Cb 0.06 2.85 -0.09 0.00 -0.74 0.00 0.00 36.82 38.89 1klv h ILE 64 CO -0.00 0.76 -0.46 0.54 0.00 0.00 0.00 178.15 178.99 1klv n ARG 65 N -3.85 -0.34 0.09 2.37 1.74 -0.93 0.14 116.66 115.88 1klv n ARG 65 Ca -0.22 1.22 -0.01 0.00 -0.77 0.00 0.00 57.85 58.07 1klv n ARG 65 Cb 0.96 -1.80 0.28 0.00 -1.02 0.00 0.00 32.46 30.88 1klv n ARG 65 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1klv h LYS 66 N 0.00 0.29 0.00 5.56 1.57 -1.72 -1.20 116.57 121.07 1klv h LYS 66 Ca 0.12 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1klv h LYS 66 Cb 0.32 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1klv h LYS 66 CO -0.73 0.54 0.00 0.54 -0.57 0.00 0.00 179.45 179.23 1klv n ARG 67 N -4.13 0.01 -0.45 3.15 5.12 0.37 -1.55 116.66 119.18 1klv n ARG 67 Ca -0.01 0.28 0.09 0.00 -1.93 0.00 0.00 57.85 56.28 1klv n ARG 67 Cb 0.39 -1.52 0.29 0.00 -1.16 0.00 0.00 32.46 30.46 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 -1.54 1.52 -2.84 0.55 5.41 0.16 -4.33 119.36 118.28 1klv n ILE 68 Ca 0.03 -1.19 -0.12 0.00 1.00 0.00 0.00 62.75 62.48 1klv n ILE 68 Cb 0.16 0.25 -0.01 0.00 -0.71 0.00 0.00 39.64 39.33 1klv n ILE 68 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1klv n HIS 69 N 0.92 -1.73 -4.06 1.39 -0.00 -0.60 0.13 115.22 111.28 1klv n HIS 69 Ca 0.22 0.15 -0.27 0.00 0.46 0.00 0.00 57.72 58.28 1klv n HIS 69 Cb 0.73 -1.88 -0.05 0.00 -0.12 0.00 0.00 29.99 28.67 1klv n HIS 69 CO 0.00 0.00 0.00 -0.48 0.46 0.00 0.00 176.34 176.32 1klv s LEU 70 N -5.64 3.87 0.00 0.27 0.05 -1.21 -4.58 118.68 111.44 1klv s LEU 70 Ca 0.15 -0.06 0.00 0.00 0.05 0.00 0.00 54.13 54.28 1klv s LEU 70 Cb -0.09 -2.50 0.00 0.00 -2.05 0.00 0.00 46.19 41.56 1klv s LEU 70 CO 0.19 0.10 0.00 -2.11 -0.55 0.00 0.00 176.35 173.97 1klv n ARG 71 N -0.15 0.00 0.00 1.48 1.85 -1.26 -4.69 116.66 113.89 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 0.54 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.95 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 -2.80 2.89 0.00 -1.26 -1.30 120.51 115.04 1klv n ALA 72 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1klv n ALA 72 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 1.64 -0.68 0.00 0.28 -1.26 -5.11 120.64 115.51 1klv n GLU 73 Ca 0.00 -3.12 -0.30 0.00 -0.16 0.00 0.00 57.16 53.58 1klv n GLU 73 Cb 0.00 -1.26 0.26 0.00 1.43 0.00 0.00 31.44 31.88 1klv n GLU 73 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1klv s ASP 74 N -3.33 0.06 -0.04 -1.84 -1.08 -0.42 -5.03 116.67 104.99 1klv s ASP 74 Ca 0.24 0.89 0.04 0.00 -0.52 0.00 0.00 52.55 53.20 1klv s ASP 74 Cb 0.35 -1.29 -0.03 0.00 -1.46 0.00 0.00 42.92 40.50 1klv s ASP 74 CO -0.05 -4.68 -0.16 0.00 0.52 0.00 0.00 175.17 170.80 1klv s ALA 75 N -2.58 2.58 -0.03 3.66 0.00 -1.26 -4.98 121.76 119.15 1klv s ALA 75 Ca 0.69 -1.01 -0.27 0.00 0.00 0.00 0.00 51.96 51.38 1klv s ALA 75 Cb -0.14 -0.89 0.06 0.00 0.00 0.00 0.00 23.12 22.14 1klv s ALA 75 CO 0.58 0.55 0.59 -1.17 0.00 0.00 0.00 175.76 176.32 1klv s LEU 76 N -0.74 -0.30 -0.28 0.00 2.96 -1.26 -4.17 118.68 114.89 1klv s LEU 76 Ca 0.11 0.53 -0.10 0.00 -0.22 0.00 0.00 54.13 54.45 1klv s LEU 76 Cb -0.10 2.25 0.12 0.00 0.50 0.00 0.00 46.19 48.95 1klv s LEU 76 CO 0.00 -0.60 0.62 -0.36 -1.32 0.00 0.00 176.35 174.70 1klv s PHE 77 N -1.40 -1.23 -0.11 5.38 0.08 -0.07 -4.94 117.98 115.69 1klv s PHE 77 Ca -0.11 2.19 -0.22 0.00 0.12 0.00 0.00 56.93 58.92 1klv s PHE 77 Cb -0.01 0.71 -0.03 0.00 -0.57 0.00 0.00 43.02 43.12 1klv s PHE 77 CO 0.07 -0.62 0.65 -0.06 -0.10 0.00 0.00 175.22 175.16 1klv s PHE 78 N 2.69 3.51 -0.13 0.36 0.08 -1.26 -2.25 117.98 120.97 1klv s PHE 78 Ca -0.06 1.10 0.01 0.00 0.12 0.00 0.00 56.93 58.10 1klv s PHE 78 Cb -0.11 -2.76 -0.01 0.00 -0.57 0.00 0.00 43.02 39.57 1klv s PHE 78 CO -0.18 0.03 -0.16 -0.06 -0.10 0.00 0.00 175.22 174.74 1klv s PHE 79 N 1.09 2.75 -0.11 0.36 0.40 -0.23 -4.68 117.98 117.56 1klv s PHE 79 Ca 0.33 -0.85 0.04 0.00 -0.60 0.00 0.00 56.93 55.85 1klv s PHE 79 Cb -0.17 -1.83 0.00 0.00 0.51 0.00 0.00 43.02 41.54 1klv s PHE 79 CO 0.14 -0.33 -0.23 0.08 0.70 0.00 0.00 175.22 175.58 1klv s VAL 80 N 0.49 2.02 -1.07 -0.44 1.01 -0.87 -1.78 120.40 119.75 1klv s VAL 80 Ca -0.11 -0.98 -0.11 0.00 0.00 0.00 0.00 61.98 60.77 1klv s VAL 80 Cb -0.16 -1.76 0.11 0.00 0.00 0.00 0.00 36.38 34.57 1klv s VAL 80 CO 0.05 0.55 0.36 -0.46 0.00 0.00 0.00 175.10 175.60 1klv n ASN 81 N 3.68 -2.17 -1.44 3.32 0.23 -1.26 0.34 115.26 117.95 1klv n ASN 81 Ca -0.19 -0.39 -0.08 0.00 -0.53 0.00 0.00 54.58 53.39 1klv n ASN 81 Cb 0.53 -1.89 0.02 0.00 -2.08 0.00 0.00 39.78 36.36 1klv n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1klv n ASN 82 N -2.08 -3.35 -4.26 0.53 3.02 -1.26 -5.05 115.26 102.81 1klv n ASN 82 Ca 0.03 -0.16 -0.14 0.00 -0.03 0.00 0.00 54.58 54.28 1klv n ASN 82 Cb 0.50 -1.93 -0.10 0.00 -0.61 0.00 0.00 39.78 37.63 1klv n ASN 82 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1klv s VAL 83 N -3.06 0.41 -0.46 2.41 1.01 0.15 -5.10 120.40 115.76 1klv s VAL 83 Ca 0.18 -1.99 0.07 0.00 0.00 0.00 0.00 61.98 60.24 1klv s VAL 83 Cb -0.08 -2.44 0.25 0.00 0.00 0.00 0.00 36.38 34.12 1klv s VAL 83 CO 0.22 -0.15 0.83 -0.38 0.00 0.00 0.00 175.10 175.62 1klv n ILE 84 N -0.34 -0.16 -1.43 2.22 -0.00 -1.26 -2.06 119.36 116.34 1klv n ILE 84 Ca -0.01 -2.15 -0.30 0.00 -0.00 0.00 0.00 62.75 60.28 1klv n ILE 84 Cb 0.65 0.68 0.10 0.00 -0.00 0.00 0.00 39.64 41.08 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 0.14 1.88 1.18 0.38 0.04 -1.26 -5.05 135.00 132.31 1klv s PRO 85 Ca 0.32 0.74 -0.20 0.00 0.04 0.00 0.00 61.00 61.91 1klv s PRO 85 Cb 0.23 -1.89 0.28 0.00 0.04 0.00 0.00 34.50 33.16 1klv s PRO 85 CO -0.19 -1.79 1.16 -1.25 0.04 0.00 0.00 177.00 174.97 1klv s PRO 86 N -5.07 -1.07 -0.09 0.56 0.04 -1.26 -4.91 135.00 123.20 1klv s PRO 86 Ca 0.61 -0.23 0.05 0.00 0.04 0.00 0.00 61.00 61.48 1klv s PRO 86 Cb -0.16 -1.63 0.29 0.00 0.04 0.00 0.00 34.50 33.05 1klv s PRO 86 CO 0.55 -3.58 0.96 0.25 0.04 0.00 0.00 177.00 175.21 1klv n THR 87 N -4.64 1.01 -0.93 1.26 -2.24 -1.26 -4.27 114.28 103.21 1klv n THR 87 Ca 0.15 -0.50 -0.18 0.00 -2.27 0.00 0.00 64.05 61.24 1klv n THR 87 Cb 0.60 -0.44 0.04 0.00 -2.10 0.00 0.00 70.33 68.43 1klv n THR 87 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1klv n SER 88 N 0.21 6.57 -1.95 3.42 3.41 -1.26 -4.19 113.62 119.83 1klv n SER 88 Ca 0.10 -3.13 -0.07 0.00 -0.26 0.00 0.00 58.87 55.50 1klv n SER 88 Cb 0.60 -1.05 -0.02 0.00 -0.26 0.00 0.00 64.21 63.48 1klv n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1klv n ALA 89 N 0.22 0.03 -2.72 7.33 0.00 -1.26 -5.04 120.51 119.06 1klv n ALA 89 Ca 0.33 -0.79 -0.09 0.00 0.00 0.00 0.00 53.44 52.89 1klv n ALA 89 Cb 0.59 0.64 -0.11 0.00 0.00 0.00 0.00 19.45 20.57 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 -2.61 0.19 0.24 0.00 -4.23 -1.26 -1.25 115.64 106.72 1klv s THR 90 Ca 0.15 -1.18 -0.05 0.00 -1.18 0.00 0.00 61.69 59.43 1klv s THR 90 Cb 0.00 -0.65 0.22 0.00 1.34 0.00 0.00 72.50 73.41 1klv s THR 90 CO 0.11 -0.63 1.84 0.24 -0.54 0.00 0.00 174.62 175.64 1klv h MET 91 N 4.21 0.91 -0.51 3.99 2.86 -1.20 -1.72 114.93 123.46 1klv h MET 91 Ca -0.33 -0.05 0.10 0.00 -2.06 0.00 0.00 59.70 57.35 1klv h MET 91 Cb 1.19 -0.21 -0.08 0.00 0.06 0.00 0.00 31.60 32.56 1klv h MET 91 CO 0.48 0.60 0.03 0.78 1.06 0.00 0.00 176.91 179.87 1klv h GLY 92 N 0.94 0.56 2.00 8.32 0.00 -0.89 0.32 103.07 114.32 1klv h GLY 92 Ca 0.39 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.72 1klv h GLY 92 CO -0.19 -0.13 -0.19 0.06 0.00 0.00 0.00 176.54 176.09 1klv h GLN 93 N 0.15 0.00 0.00 4.80 -0.00 -1.46 -1.64 115.11 116.96 1klv h GLN 93 Ca 0.26 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.87 1klv h GLN 93 Cb 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.86 1klv h GLN 93 CO -0.40 0.19 -0.17 1.37 -0.00 0.00 0.00 178.83 179.82 1klv h LEU 94 N 0.00 0.00 -0.22 0.06 8.10 0.24 -3.18 115.31 120.31 1klv h LEU 94 Ca -0.00 0.00 0.05 0.00 0.11 0.00 0.00 57.88 58.04 1klv h LEU 94 Cb 0.41 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.56 1klv h LEU 94 CO 0.02 0.17 -0.41 0.22 -4.11 0.00 0.00 178.44 174.34 1klv h TYR 95 N 0.00 -1.16 0.00 0.17 3.20 -0.58 0.29 116.97 118.88 1klv h TYR 95 Ca -0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1klv h TYR 95 Cb 0.58 0.54 0.00 0.00 1.54 0.00 0.00 36.73 39.40 1klv h TYR 95 CO 0.00 -0.45 0.00 0.37 -1.64 0.00 0.00 178.16 176.44 1klv h GLN 96 N -0.42 0.00 0.00 1.82 4.15 -1.73 -3.20 115.11 115.73 1klv h GLN 96 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1klv h GLN 96 Cb 0.60 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.29 1klv h GLN 96 CO -0.45 0.00 -0.27 0.93 -1.93 0.00 0.00 178.83 177.11 1klv h GLU 97 N 0.00 0.00 -1.06 1.69 4.39 -0.55 -3.41 114.58 115.65 1klv h GLU 97 Ca 0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 1klv h GLU 97 Cb 0.44 0.00 -0.27 0.00 -0.10 0.00 0.00 28.75 28.82 1klv h GLU 97 CO 0.00 0.00 0.71 0.72 -1.16 0.00 0.00 179.01 179.28 1klv n HIS 98 N -3.84 2.86 -3.68 4.33 8.25 0.17 -4.95 115.22 118.35 1klv n HIS 98 Ca -0.04 -2.38 -0.23 0.00 -0.26 0.00 0.00 57.72 54.81 1klv n HIS 98 Cb 0.14 -1.17 -0.01 0.00 1.12 0.00 0.00 29.99 30.07 1klv n HIS 98 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1klv s HIS 99 N -3.26 2.06 0.00 4.41 -3.43 -1.21 -2.69 115.29 111.18 1klv s HIS 99 Ca 0.56 -0.68 0.00 0.00 -0.80 0.00 0.00 55.06 54.13 1klv s HIS 99 Cb 0.45 -2.05 0.00 0.00 -1.43 0.00 0.00 32.58 29.55 1klv s HIS 99 CO 0.04 -0.39 0.00 0.39 -2.00 0.00 0.00 174.74 172.78 1klv n GLU 100 N -1.71 0.00 0.00 -0.38 -0.58 -1.26 -5.01 120.64 111.70 1klv n GLU 100 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 1klv n GLU 100 Cb 0.63 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.50 1klv n GLU 100 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1klv n GLU 101 N 0.00 0.00 0.00 3.49 1.02 -1.26 -4.55 120.64 119.34 1klv n GLU 101 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1klv n GLU 101 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1klv n GLU 101 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1klv n ASP 102 N -0.56 0.00 0.00 1.62 2.03 -1.26 -4.48 116.55 113.90 1klv n ASP 102 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1klv n ASP 102 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1klv n ASP 102 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1klv n PHE 103 N 0.00 0.00 -2.44 -0.67 3.72 -1.26 -5.14 117.46 111.66 1klv n PHE 103 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 1klv n PHE 103 Cb 0.00 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.60 1klv n PHE 103 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1klv n PHE 104 N 0.00 -3.14 -3.31 1.38 3.72 -1.26 -4.97 117.46 109.87 1klv n PHE 104 Ca 0.00 -0.88 -0.19 0.00 -0.05 0.00 0.00 57.45 56.32 1klv n PHE 104 Cb 0.00 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.18 1klv n PHE 104 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 176.76 176.23 1klv s LEU 105 N 0.00 3.86 -0.17 4.37 0.05 -1.07 -4.56 118.68 121.16 1klv s LEU 105 Ca 0.33 -0.17 0.01 0.00 0.05 0.00 0.00 54.13 54.35 1klv s LEU 105 Cb -0.02 -2.79 0.01 0.00 -2.05 0.00 0.00 46.19 41.35 1klv s LEU 105 CO 0.22 -0.54 -0.18 -0.72 -0.55 0.00 0.00 176.35 174.58 1klv s TYR 106 N -2.26 2.77 0.01 3.48 1.13 -1.09 -1.52 117.35 119.87 1klv s TYR 106 Ca 0.47 -1.44 -0.03 0.00 -1.41 0.00 0.00 57.07 54.67 1klv s TYR 106 Cb -0.10 -1.91 -0.01 0.00 -1.10 0.00 0.00 41.96 38.84 1klv s TYR 106 CO 0.32 -0.70 0.03 0.42 -2.51 0.00 0.00 175.55 173.11 1klv s ILE 107 N 1.15 0.10 0.31 -3.49 1.01 -0.36 -4.11 121.20 115.80 1klv s ILE 107 Ca 0.01 -0.82 0.05 0.00 0.00 0.00 0.00 60.65 59.90 1klv s ILE 107 Cb -0.14 -0.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.98 1klv s ILE 107 CO -0.08 -0.45 0.23 0.00 0.00 0.00 0.00 174.94 174.64 1klv s ALA 108 N -1.41 1.78 0.18 9.38 0.00 -0.74 -1.61 121.76 129.36 1klv s ALA 108 Ca -0.15 -1.94 -0.17 0.00 0.00 0.00 0.00 51.96 49.70 1klv s ALA 108 Cb -0.09 1.41 0.03 0.00 0.00 0.00 0.00 23.12 24.46 1klv s ALA 108 CO -0.00 -0.62 0.49 1.52 0.00 0.00 0.00 175.76 177.15 1klv s TYR 109 N -3.59 -0.12 0.33 0.00 1.13 -0.86 -1.07 117.35 113.16 1klv s TYR 109 Ca 0.39 -0.21 -0.12 0.00 -1.41 0.00 0.00 57.07 55.72 1klv s TYR 109 Cb 0.03 0.36 0.05 0.00 -1.10 0.00 0.00 41.96 41.30 1klv s TYR 109 CO 0.23 -0.87 0.66 0.45 -2.51 0.00 0.00 175.55 173.51 1klv n SER 110 N -0.32 -1.91 -0.80 -0.18 2.88 -0.96 -1.80 113.62 110.54 1klv n SER 110 Ca -0.11 -2.35 0.02 0.00 -1.33 0.00 0.00 58.87 55.10 1klv n SER 110 Cb 0.63 3.19 0.20 0.00 -0.75 0.00 0.00 64.21 67.48 1klv n SER 110 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1klv n ASP 111 N -1.46 2.07 -1.36 -3.46 5.75 -1.26 -0.89 116.55 115.95 1klv n ASP 111 Ca -0.07 -3.80 0.17 0.00 -0.01 0.00 0.00 54.79 51.08 1klv n ASP 111 Cb 0.50 -0.57 -0.07 0.00 -1.03 0.00 0.00 41.12 39.95 1klv n ASP 111 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1klv n GLU 112 N -1.13 -3.02 -2.03 0.11 1.02 -1.26 -4.67 120.64 109.66 1klv n GLU 112 Ca 0.24 2.35 -0.04 0.00 -0.02 0.00 0.00 57.16 59.69 1klv n GLU 112 Cb 0.82 -3.58 0.06 0.00 -0.02 0.00 0.00 31.44 28.73 1klv n GLU 112 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1klv n SER 113 N -4.21 2.19 -5.02 1.62 7.64 -1.26 -5.06 113.62 109.53 1klv n SER 113 Ca -0.06 -2.65 -0.19 0.00 1.01 0.00 0.00 58.87 56.98 1klv n SER 113 Cb 0.64 -0.41 0.04 0.00 -1.01 0.00 0.00 64.21 63.47 1klv n SER 113 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1klv s VAL 114 N -2.97 2.46 0.01 0.44 0.11 -1.26 -5.12 120.40 114.06 1klv s VAL 114 Ca 0.35 -0.98 0.06 0.00 -2.93 0.00 0.00 61.98 58.48 1klv s VAL 114 Cb 0.36 -2.48 -0.02 0.00 -1.53 0.00 0.00 36.38 32.72 1klv s VAL 114 CO -0.06 0.00 -0.17 -0.47 -3.33 0.00 0.00 175.10 171.07 1klv s TYR 115 N -2.57 1.50 0.09 1.54 5.04 -1.26 -5.15 117.35 116.54 1klv s TYR 115 Ca 0.59 -0.32 0.01 0.00 -2.44 0.00 0.00 57.07 54.92 1klv s TYR 115 Cb -0.07 -0.93 -0.04 0.00 0.35 0.00 0.00 41.96 41.27 1klv s TYR 115 CO 0.37 0.02 -0.06 0.20 -1.34 0.00 0.00 175.55 174.74 1klv s GLY 116 N -0.75 0.71 0.00 8.97 0.00 -1.26 -5.33 107.32 109.66 1klv s GLY 116 Ca 0.06 -1.29 0.28 0.00 0.00 0.00 0.00 44.72 43.77 1klv s GLY 116 CO 0.00 -1.39 1.76 1.04 0.00 0.00 0.00 173.10 174.52