#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 1.07 0.00 1.61 4.81 -2.02 -0.04 114.58 120.00 1klv h GLU 19 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1klv h GLU 19 Cb 0.00 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.14 1klv h GLU 19 CO 0.00 0.71 0.00 0.87 -0.73 0.00 0.00 179.01 179.86 1klv h LYS 20 N 1.10 0.00 0.00 1.92 1.57 -2.02 -3.04 116.57 116.10 1klv h LYS 20 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1klv h LYS 20 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1klv h LYS 20 CO -0.19 0.00 0.00 0.82 -0.57 0.00 0.00 179.45 179.51 1klv h ILE 21 N 0.00 0.00 0.01 1.86 5.03 -1.37 -3.05 117.51 119.98 1klv h ILE 21 Ca 0.00 -0.44 -0.25 0.00 -0.12 0.00 0.00 64.86 64.05 1klv h ILE 21 Cb 0.75 1.38 -0.04 0.00 -3.03 0.00 0.00 36.82 35.89 1klv h ILE 21 CO 0.00 0.00 -1.35 0.54 -0.68 0.00 0.00 178.15 176.66 1klv n ARG 22 N -2.90 0.57 -0.29 2.37 5.12 -1.15 -0.68 116.66 119.71 1klv n ARG 22 Ca 0.01 0.55 0.11 0.00 -1.93 0.00 0.00 57.85 56.59 1klv n ARG 22 Cb 0.28 -1.74 0.25 0.00 -1.16 0.00 0.00 32.46 30.10 1klv n ARG 22 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1klv h LYS 23 N -0.95 0.16 0.01 5.56 3.64 -1.59 0.47 116.57 123.86 1klv h LYS 23 Ca -0.37 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 58.86 1klv h LYS 23 Cb 1.35 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.12 1klv h LYS 23 CO -0.21 0.11 -0.77 0.87 -2.27 0.00 0.00 179.45 177.18 1klv h LYS 24 N 0.16 0.02 -2.51 1.90 1.57 -1.69 -3.40 116.57 112.63 1klv h LYS 24 Ca 0.51 -0.04 -0.70 0.00 -1.87 0.00 0.00 60.65 58.56 1klv h LYS 24 Cb 1.00 0.02 -0.36 0.00 0.08 0.00 0.00 32.23 32.97 1klv h LYS 24 CO -0.68 1.02 0.04 0.66 -0.57 0.00 0.00 179.45 179.93 1klv n TYR 25 N -4.45 3.03 0.52 -1.35 4.01 0.14 -4.80 117.16 114.25 1klv n TYR 25 Ca -0.23 -3.43 0.10 0.00 -0.16 0.00 0.00 57.90 54.19 1klv n TYR 25 Cb 0.62 -0.87 0.42 0.00 -0.31 0.00 0.00 39.34 39.20 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 1.00 0.10 -0.24 -0.72 -0.04 0.16 -2.43 135.00 132.83 1klv n PRO 26 Ca 0.29 0.29 0.06 0.00 -0.04 0.00 0.00 63.50 64.10 1klv n PRO 26 Cb 0.37 -1.67 0.17 0.00 -0.04 0.00 0.00 33.50 32.33 1klv n PRO 26 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1klv n ASP 27 N -1.85 3.12 -0.29 3.54 8.00 -1.26 -5.00 116.55 122.80 1klv n ASP 27 Ca 0.03 -2.32 0.00 0.00 0.71 0.00 0.00 54.79 53.22 1klv n ASP 27 Cb 0.23 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 1klv n ASP 27 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1klv n ARG 28 N 0.10 2.97 -3.49 -1.24 3.00 -1.02 -4.05 116.66 112.93 1klv n ARG 28 Ca 0.14 0.00 -0.21 0.00 -0.01 0.00 0.00 57.85 57.77 1klv n ARG 28 Cb 0.55 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.88 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 1.55 -0.27 -1.10 1.55 1.01 0.17 -4.56 120.40 118.75 1klv s VAL 29 Ca 0.00 -0.33 -0.22 0.00 0.00 0.00 0.00 61.98 61.42 1klv s VAL 29 Cb 0.00 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 1klv s VAL 29 CO 0.00 -0.38 1.77 -2.16 0.00 0.00 0.00 175.10 174.34 1klv s PRO 30 N 2.27 3.13 0.29 2.72 0.04 -1.26 -2.60 135.00 139.60 1klv s PRO 30 Ca 0.07 -1.14 -0.17 0.00 0.04 0.00 0.00 61.00 59.81 1klv s PRO 30 Cb -0.15 -5.30 -0.09 0.00 0.04 0.00 0.00 34.50 29.00 1klv s PRO 30 CO -0.22 -2.99 0.74 0.14 0.04 0.00 0.00 177.00 174.71 1klv s VAL 31 N 7.70 4.64 0.07 -0.36 -7.23 -0.66 -2.66 120.40 121.90 1klv s VAL 31 Ca 0.60 1.07 0.07 0.00 -1.81 0.00 0.00 61.98 61.90 1klv s VAL 31 Cb -0.01 -3.69 -0.04 0.00 0.56 0.00 0.00 36.38 33.21 1klv s VAL 31 CO 0.03 -0.07 -0.13 -0.63 -0.31 0.00 0.00 175.10 173.99 1klv s ILE 32 N -1.85 3.18 0.15 -0.62 1.09 0.01 -1.69 121.20 121.47 1klv s ILE 32 Ca 0.51 -1.19 0.09 0.00 -1.10 0.00 0.00 60.65 58.96 1klv s ILE 32 Cb -0.12 -2.42 -0.04 0.00 -1.06 0.00 0.00 42.46 38.82 1klv s ILE 32 CO 0.18 0.23 -0.20 0.54 -0.10 0.00 0.00 174.94 175.59 1klv s VAL 33 N -1.08 1.86 0.00 2.92 0.11 -0.72 -0.87 120.40 122.61 1klv s VAL 33 Ca 0.18 -1.80 0.00 0.00 -2.93 0.00 0.00 61.98 57.43 1klv s VAL 33 Cb -0.11 -1.79 0.00 0.00 -1.53 0.00 0.00 36.38 32.95 1klv s VAL 33 CO 0.10 -0.20 0.00 1.21 -3.33 0.00 0.00 175.10 172.88 1klv n GLU 34 N 0.56 0.00 -4.24 1.54 2.13 0.60 -4.78 120.64 116.46 1klv n GLU 34 Ca -0.15 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.53 1klv n GLU 34 Cb 0.56 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.17 1klv n GLU 34 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1klv s LYS 35 N 0.39 1.02 0.53 5.31 2.47 -1.26 -2.21 119.74 125.98 1klv s LYS 35 Ca 0.00 -1.42 -0.09 0.00 -1.56 0.00 0.00 55.97 52.90 1klv s LYS 35 Cb 0.00 -0.56 0.13 0.00 -1.46 0.00 0.00 37.83 35.94 1klv s LYS 35 CO 0.00 0.06 0.38 0.00 0.16 0.00 0.00 175.35 175.95 1klv n ALA 36 N -0.14 -1.71 -2.19 3.13 0.00 -0.86 -4.72 120.51 114.01 1klv n ALA 36 Ca -0.11 -0.61 -0.43 0.00 0.00 0.00 0.00 53.44 52.30 1klv n ALA 36 Cb 0.60 -0.05 -0.02 0.00 0.00 0.00 0.00 19.45 19.98 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 -3.88 3.39 -1.02 0.00 0.04 -1.26 -3.13 135.00 129.15 1klv s PRO 37 Ca 0.27 1.07 -0.06 0.00 0.04 0.00 0.00 61.00 62.32 1klv s PRO 37 Cb -0.04 -4.13 0.01 0.00 0.04 0.00 0.00 34.50 30.38 1klv s PRO 37 CO 0.21 -1.79 0.88 1.63 0.04 0.00 0.00 177.00 177.98 1klv n LYS 38 N 8.34 -5.95 -0.53 4.56 5.02 -1.26 -4.99 118.16 123.35 1klv n LYS 38 Ca 0.19 0.63 -0.30 0.00 -2.02 0.00 0.00 58.31 56.81 1klv n LYS 38 Cb 0.48 -5.07 0.28 0.00 -0.02 0.00 0.00 35.03 30.70 1klv n LYS 38 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1klv s ALA 39 N -3.25 -0.45 0.00 7.82 0.00 -1.18 -5.00 121.76 119.70 1klv s ALA 39 Ca 0.40 -0.82 0.17 0.00 0.00 0.00 0.00 51.96 51.70 1klv s ALA 39 Cb -0.17 -2.94 0.28 0.00 0.00 0.00 0.00 23.12 20.28 1klv s ALA 39 CO 0.55 -4.37 1.09 2.89 0.00 0.00 0.00 175.76 175.93 1klv n ARG 40 N -5.43 0.00 -2.23 0.00 1.85 -1.26 -5.03 116.66 104.56 1klv n ARG 40 Ca 0.12 -1.61 -0.27 0.00 -1.00 0.00 0.00 57.85 55.09 1klv n ARG 40 Cb 0.60 0.07 0.17 0.00 -1.05 0.00 0.00 32.46 32.24 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 0.00 2.01 0.47 8.89 -5.25 -1.26 -4.99 121.20 121.07 1klv s ILE 41 Ca 0.22 -0.27 -0.23 0.00 -0.99 0.00 0.00 60.65 59.38 1klv s ILE 41 Cb 0.25 -2.74 -0.07 0.00 2.95 0.00 0.00 42.46 42.85 1klv s ILE 41 CO -0.11 0.00 1.19 -0.83 -1.79 0.00 0.00 174.94 173.40 1klv s GLY 42 N -4.89 2.79 0.54 6.27 0.00 0.53 -5.01 107.32 107.55 1klv s GLY 42 Ca 0.73 0.98 -0.05 0.00 0.00 0.00 0.00 44.72 46.38 1klv s GLY 42 CO 0.50 1.44 0.84 -0.35 0.00 0.00 0.00 173.10 175.53 1klv s ASP 43 N -1.31 5.76 -0.15 1.64 2.15 -1.26 -4.43 116.67 119.07 1klv s ASP 43 Ca 0.64 0.67 -0.18 0.00 0.43 0.00 0.00 52.55 54.11 1klv s ASP 43 Cb -0.30 -1.77 0.05 0.00 -0.30 0.00 0.00 42.92 40.60 1klv s ASP 43 CO 0.36 -0.91 0.49 -0.22 -0.17 0.00 0.00 175.17 174.72 1klv s LEU 44 N -4.86 0.15 -0.15 -1.34 1.98 -1.26 -4.56 118.68 108.64 1klv s LEU 44 Ca 0.52 0.83 -0.01 0.00 -2.89 0.00 0.00 54.13 52.57 1klv s LEU 44 Cb -0.10 1.72 0.04 0.00 0.66 0.00 0.00 46.19 48.50 1klv s LEU 44 CO 0.44 -0.26 2.29 -0.67 -1.89 0.00 0.00 176.35 176.26 1klv n ASP 45 N 2.39 5.81 -3.15 3.68 -0.08 -1.26 -4.65 116.55 119.29 1klv n ASP 45 Ca -0.15 -2.71 0.04 0.00 -1.51 0.00 0.00 54.79 50.46 1klv n ASP 45 Cb 0.57 -1.15 -0.01 0.00 2.34 0.00 0.00 41.12 42.87 1klv n ASP 45 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1klv s LYS 46 N -0.62 0.56 -0.51 -0.67 3.01 -1.26 -5.05 119.74 115.20 1klv s LYS 46 Ca 0.24 0.80 0.04 0.00 -1.01 0.00 0.00 55.97 56.04 1klv s LYS 46 Cb 0.16 0.42 0.41 0.00 -1.01 0.00 0.00 37.83 37.81 1klv s LYS 46 CO -0.02 -0.79 1.32 0.36 0.51 0.00 0.00 175.35 176.73 1klv n LYS 47 N 5.42 3.30 -3.22 1.68 0.00 -1.26 -4.93 118.16 119.15 1klv n LYS 47 Ca 0.01 -4.24 0.03 0.00 -0.00 0.00 0.00 58.31 54.11 1klv n LYS 47 Cb 0.52 -2.26 -0.02 0.00 -0.00 0.00 0.00 35.03 33.28 1klv n LYS 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1klv s LYS 48 N -3.66 0.54 -0.06 -1.58 0.00 -1.26 -1.75 119.74 111.96 1klv s LYS 48 Ca 0.50 1.01 -0.01 0.00 0.00 0.00 0.00 55.97 57.47 1klv s LYS 48 Cb 0.41 0.57 -0.03 0.00 0.00 0.00 0.00 37.83 38.78 1klv s LYS 48 CO -0.20 -0.52 0.01 0.71 0.00 0.00 0.00 175.35 175.34 1klv s TYR 49 N 2.87 3.15 -0.61 1.78 1.51 -0.68 -4.97 117.35 120.38 1klv s TYR 49 Ca 0.15 0.17 -0.07 0.00 -1.01 0.00 0.00 57.07 56.30 1klv s TYR 49 Cb -0.14 -1.75 0.16 0.00 -0.11 0.00 0.00 41.96 40.11 1klv s TYR 49 CO -0.20 0.47 0.48 -0.51 -1.11 0.00 0.00 175.55 174.68 1klv s LEU 50 N -1.11 5.75 0.18 -1.29 1.02 -1.26 -1.66 118.68 120.31 1klv s LEU 50 Ca 0.16 -2.48 0.10 0.00 0.02 0.00 0.00 54.13 51.93 1klv s LEU 50 Cb -0.11 -1.99 -0.04 0.00 0.02 0.00 0.00 46.19 44.07 1klv s LEU 50 CO 0.05 -0.53 -0.19 0.68 0.02 0.00 0.00 176.35 176.38 1klv s VAL 51 N 0.49 2.65 0.48 -1.59 -7.23 -1.07 -4.87 120.40 109.27 1klv s VAL 51 Ca 0.13 -1.87 -0.21 0.00 -1.81 0.00 0.00 61.98 58.22 1klv s VAL 51 Cb -0.20 -2.28 -0.07 0.00 0.56 0.00 0.00 36.38 34.39 1klv s VAL 51 CO -0.04 -0.09 1.11 -2.16 -0.31 0.00 0.00 175.10 173.61 1klv s PRO 52 N -2.67 3.70 0.33 4.82 0.04 -1.26 0.42 135.00 140.38 1klv s PRO 52 Ca 0.22 1.60 0.24 0.00 0.04 0.00 0.00 61.00 63.10 1klv s PRO 52 Cb -0.08 -2.24 1.20 0.00 0.04 0.00 0.00 34.50 33.42 1klv s PRO 52 CO 0.11 -0.56 1.74 0.77 0.04 0.00 0.00 177.00 179.11 1klv h SER 53 N 1.75 0.00 0.92 6.66 0.02 -1.80 -1.76 113.55 119.33 1klv h SER 53 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1klv h SER 53 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1klv h SER 53 CO 0.59 0.00 -0.20 -0.67 -1.14 0.00 0.00 176.83 175.41 1klv n ASP 54 N -2.34 0.33 -4.77 3.07 -0.08 -1.26 -0.69 116.55 110.81 1klv n ASP 54 Ca -0.00 0.27 -0.40 0.00 -1.51 0.00 0.00 54.79 53.15 1klv n ASP 54 Cb 0.11 -0.27 0.01 0.00 2.34 0.00 0.00 41.12 43.31 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 -3.37 4.20 0.32 -2.67 1.43 -0.66 -4.87 118.68 113.06 1klv s LEU 55 Ca 0.12 2.88 -0.06 0.00 -1.03 0.00 0.00 54.13 56.04 1klv s LEU 55 Cb 0.17 -3.86 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 1klv s LEU 55 CO 0.61 -1.01 0.60 0.42 0.23 0.00 0.00 176.35 177.20 1klv s THR 56 N -1.19 4.98 0.66 5.49 -4.23 -1.26 -1.33 115.64 118.75 1klv s THR 56 Ca 0.58 0.16 0.31 0.00 -1.18 0.00 0.00 61.69 61.55 1klv s THR 56 Cb -0.43 -3.74 0.32 0.00 1.34 0.00 0.00 72.50 69.99 1klv s THR 56 CO 0.56 -0.38 1.96 0.58 -0.54 0.00 0.00 174.62 176.80 1klv h VAL 57 N 1.27 0.05 -0.24 2.29 2.07 -1.41 0.40 116.25 120.68 1klv h VAL 57 Ca -0.48 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 66.89 1klv h VAL 57 Cb 1.19 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1klv h VAL 57 CO 0.65 0.00 -0.46 1.23 0.02 0.00 0.00 177.57 179.01 1klv h GLY 58 N 0.00 0.81 0.78 2.17 0.00 -1.85 -1.73 103.07 103.24 1klv h GLY 58 Ca 0.02 -0.95 -0.04 0.00 0.00 0.00 0.00 47.33 46.36 1klv h GLY 58 CO -0.00 0.85 -0.05 1.46 0.00 0.00 0.00 176.54 178.80 1klv h GLN 59 N 0.47 0.34 -0.28 4.80 4.20 -1.29 -3.09 115.11 120.25 1klv h GLN 59 Ca 0.01 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 1klv h GLN 59 Cb 1.07 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.82 1klv h GLN 59 CO 0.10 0.62 0.17 0.35 -0.67 0.00 0.00 178.83 179.41 1klv h PHE 60 N 0.04 0.37 -0.22 2.96 3.57 -1.54 -0.51 116.94 121.60 1klv h PHE 60 Ca 0.04 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.61 1klv h PHE 60 Cb 0.50 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1klv h PHE 60 CO 0.06 0.26 0.53 -0.92 -2.23 0.00 0.00 178.31 176.01 1klv h TYR 61 N 0.36 0.00 0.00 0.41 5.03 -1.27 -0.96 116.97 120.54 1klv h TYR 61 Ca 0.10 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.41 1klv h TYR 61 Cb -0.00 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.28 1klv h TYR 61 CO -0.05 0.00 -0.01 0.35 -1.32 0.00 0.00 178.16 177.13 1klv h PHE 62 N 0.00 0.00 0.00 -3.82 3.57 -1.02 -2.62 116.94 113.06 1klv h PHE 62 Ca 0.10 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1klv h PHE 62 Cb 1.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.91 1klv h PHE 62 CO 0.00 0.55 0.01 1.37 -2.23 0.00 0.00 178.31 178.01 1klv h LEU 63 N -1.00 0.00 0.10 0.59 8.10 -0.96 -2.49 115.31 119.65 1klv h LEU 63 Ca -0.00 0.00 -0.37 0.00 0.11 0.00 0.00 57.88 57.62 1klv h LEU 63 Cb 0.55 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.74 1klv h LEU 63 CO -0.00 0.00 -2.08 -0.38 -4.11 0.00 0.00 178.44 171.87 1klv n ILE 64 N -2.99 1.73 -0.31 0.15 5.41 -0.95 -3.81 119.36 118.59 1klv n ILE 64 Ca -0.03 -0.63 -0.08 0.00 1.00 0.00 0.00 62.75 63.01 1klv n ILE 64 Cb 0.08 -1.68 -0.07 0.00 -0.71 0.00 0.00 39.64 37.25 1klv n ILE 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1klv n ARG 65 N -3.46 -0.32 0.10 0.38 0.63 -0.94 0.14 116.66 113.20 1klv n ARG 65 Ca -0.35 1.24 0.01 0.00 -0.92 0.00 0.00 57.85 57.84 1klv n ARG 65 Cb 1.03 -1.83 0.35 0.00 0.45 0.00 0.00 32.46 32.47 1klv n ARG 65 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1klv h LYS 66 N 0.00 0.26 0.00 -0.14 1.57 -1.77 -1.21 116.57 115.28 1klv h LYS 66 Ca 0.12 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1klv h LYS 66 Cb 0.30 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1klv h LYS 66 CO -0.69 0.43 0.00 0.54 -0.57 0.00 0.00 179.45 179.16 1klv n ARG 67 N -4.23 0.13 -0.29 3.15 5.12 0.38 -1.64 116.66 119.28 1klv n ARG 67 Ca -0.01 0.38 0.12 0.00 -1.93 0.00 0.00 57.85 56.41 1klv n ARG 67 Cb 0.30 -1.75 0.28 0.00 -1.16 0.00 0.00 32.46 30.13 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 -2.00 0.77 -2.80 0.55 2.08 0.14 -4.14 119.36 113.95 1klv n ILE 68 Ca 0.02 -0.87 -0.19 0.00 0.56 0.00 0.00 62.75 62.27 1klv n ILE 68 Cb 0.20 0.70 0.00 0.00 -0.75 0.00 0.00 39.64 39.80 1klv n ILE 68 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 1klv n HIS 69 N 1.57 -1.58 -4.18 1.39 -0.00 -0.65 -0.35 115.22 111.43 1klv n HIS 69 Ca 0.22 0.24 -0.29 0.00 0.46 0.00 0.00 57.72 58.35 1klv n HIS 69 Cb 0.61 -3.37 -0.08 0.00 -0.12 0.00 0.00 29.99 27.03 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 -6.14 3.30 0.00 0.27 0.05 -1.21 -4.61 118.68 110.34 1klv s LEU 70 Ca 0.17 -0.30 0.00 0.00 0.05 0.00 0.00 54.13 54.06 1klv s LEU 70 Cb -0.08 -2.03 0.00 0.00 -2.05 0.00 0.00 46.19 42.02 1klv s LEU 70 CO 0.21 0.15 0.00 -2.11 -0.55 0.00 0.00 176.35 174.05 1klv n ARG 71 N 0.42 0.00 0.00 1.48 1.85 -1.26 -4.62 116.66 114.54 1klv n ARG 71 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.74 1klv n ARG 71 Cb 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 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 -2.68 2.89 0.00 -1.26 -1.72 120.51 114.74 1klv n ALA 72 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1klv n ALA 72 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1klv n ALA 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1klv n GLU 73 N 0.00 1.19 -1.75 0.00 1.02 -1.26 -5.11 120.64 114.72 1klv n GLU 73 Ca 0.00 -3.12 -0.30 0.00 -0.02 0.00 0.00 57.16 53.72 1klv n GLU 73 Cb 0.00 -1.14 0.18 0.00 -0.02 0.00 0.00 31.44 30.45 1klv n GLU 73 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1klv s ASP 74 N -2.97 2.99 0.03 1.62 -1.08 -0.70 -5.07 116.67 111.48 1klv s ASP 74 Ca 0.26 0.47 0.08 0.00 -0.52 0.00 0.00 52.55 52.84 1klv s ASP 74 Cb 0.45 -0.66 -0.03 0.00 -1.46 0.00 0.00 42.92 41.22 1klv s ASP 74 CO 0.02 -2.83 -0.22 0.00 0.52 0.00 0.00 175.17 172.66 1klv s ALA 75 N -3.64 2.40 -0.04 3.66 0.00 -1.26 -4.98 121.76 117.89 1klv s ALA 75 Ca 0.71 -1.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.17 1klv s ALA 75 Cb -0.07 -0.62 0.09 0.00 0.00 0.00 0.00 23.12 22.53 1klv s ALA 75 CO 0.53 0.55 0.80 -1.17 0.00 0.00 0.00 175.76 176.47 1klv s LEU 76 N -1.21 -0.50 -0.26 0.00 2.96 -1.26 -4.27 118.68 114.14 1klv s LEU 76 Ca 0.13 0.36 -0.11 0.00 -0.22 0.00 0.00 54.13 54.29 1klv s LEU 76 Cb -0.10 2.25 0.10 0.00 0.50 0.00 0.00 46.19 48.94 1klv s LEU 76 CO 0.03 -0.59 0.59 -0.36 -1.32 0.00 0.00 176.35 174.69 1klv s PHE 77 N -1.97 -1.11 -0.00 5.38 0.08 0.21 -4.91 117.98 115.66 1klv s PHE 77 Ca -0.03 2.03 -0.25 0.00 0.12 0.00 0.00 56.93 58.80 1klv s PHE 77 Cb -0.00 0.62 -0.04 0.00 -0.57 0.00 0.00 43.02 43.02 1klv s PHE 77 CO -0.00 -0.57 0.77 -0.06 -0.10 0.00 0.00 175.22 175.26 1klv s PHE 78 N 2.43 3.67 -0.19 0.36 0.08 -1.26 -2.56 117.98 120.51 1klv s PHE 78 Ca -0.06 1.42 0.01 0.00 0.12 0.00 0.00 56.93 58.42 1klv s PHE 78 Cb -0.10 -2.85 0.03 0.00 -0.57 0.00 0.00 43.02 39.52 1klv s PHE 78 CO -0.17 0.17 -0.18 -0.06 -0.10 0.00 0.00 175.22 174.88 1klv s PHE 79 N 0.39 2.78 -0.09 0.36 0.08 -0.35 -4.59 117.98 116.55 1klv s PHE 79 Ca 0.40 -1.71 0.04 0.00 0.12 0.00 0.00 56.93 55.78 1klv s PHE 79 Cb -0.20 -1.88 -0.00 0.00 -0.57 0.00 0.00 43.02 40.37 1klv s PHE 79 CO 0.22 -0.81 -0.23 0.08 -0.10 0.00 0.00 175.22 174.38 1klv s VAL 80 N 1.28 1.99 -1.27 -0.44 1.01 -0.68 -2.55 120.40 119.75 1klv s VAL 80 Ca 0.03 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 1klv s VAL 80 Cb -0.14 -1.72 0.05 0.00 0.00 0.00 0.00 36.38 34.57 1klv s VAL 80 CO -0.12 0.55 0.42 -3.20 0.00 0.00 0.00 175.10 172.75 1klv n ASN 81 N 3.45 -4.07 -2.03 3.32 5.15 -1.26 -0.18 115.26 119.63 1klv n ASN 81 Ca -0.19 -0.27 -0.14 0.00 -0.60 0.00 0.00 54.58 53.38 1klv n ASN 81 Cb 0.53 -3.37 0.03 0.00 -0.53 0.00 0.00 39.78 36.43 1klv n ASN 81 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1klv n ASN 82 N -2.23 -4.45 -4.27 1.20 2.85 -1.26 -5.02 115.26 102.07 1klv n ASN 82 Ca -0.05 -0.20 -0.15 0.00 -0.11 0.00 0.00 54.58 54.07 1klv n ASN 82 Cb 0.56 -3.28 -0.10 0.00 1.24 0.00 0.00 39.78 38.20 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 -2.97 0.46 -0.47 3.44 1.01 0.74 -5.11 120.40 117.51 1klv s VAL 83 Ca 0.22 -1.99 0.06 0.00 0.00 0.00 0.00 61.98 60.27 1klv s VAL 83 Cb -0.09 -2.48 0.24 0.00 0.00 0.00 0.00 36.38 34.05 1klv s VAL 83 CO 0.27 -0.12 0.77 -0.38 0.00 0.00 0.00 175.10 175.64 1klv n ILE 84 N -0.37 -0.20 -1.51 2.22 -0.00 -1.26 -1.68 119.36 116.56 1klv n ILE 84 Ca -0.01 -2.11 -0.30 0.00 -0.00 0.00 0.00 62.75 60.32 1klv n ILE 84 Cb 0.65 0.55 0.09 0.00 -0.00 0.00 0.00 39.64 40.94 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 0.25 2.06 1.01 0.38 0.04 -1.26 -5.06 135.00 132.42 1klv s PRO 85 Ca 0.33 0.69 -0.17 0.00 0.04 0.00 0.00 61.00 61.89 1klv s PRO 85 Cb 0.19 -1.91 0.25 0.00 0.04 0.00 0.00 34.50 33.07 1klv s PRO 85 CO -0.20 -1.65 1.03 -0.35 0.04 0.00 0.00 177.00 175.87 1klv n PRO 86 N -3.46 -2.33 -0.31 0.56 -0.04 -1.26 -4.91 135.00 123.25 1klv n PRO 86 Ca 0.07 -1.63 -0.01 0.00 -0.04 0.00 0.00 63.50 61.89 1klv n PRO 86 Cb 0.56 -1.37 0.11 0.00 -0.04 0.00 0.00 33.50 32.76 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 -4.28 1.11 -1.42 0.52 -2.24 -1.26 -4.26 114.28 102.45 1klv n THR 87 Ca 0.14 -0.48 -0.32 0.00 -2.27 0.00 0.00 64.05 61.11 1klv n THR 87 Cb 0.52 -0.55 0.05 0.00 -2.10 0.00 0.00 70.33 68.24 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 0.13 7.35 -1.32 3.42 2.88 -1.26 -4.22 113.62 120.60 1klv n SER 88 Ca 0.12 -3.63 -0.03 0.00 -1.33 0.00 0.00 58.87 54.00 1klv n SER 88 Cb 0.64 -1.04 -0.01 0.00 -0.75 0.00 0.00 64.21 63.05 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 -0.44 0.01 -3.18 -1.46 0.00 -1.26 -5.02 120.51 109.16 1klv n ALA 89 Ca 0.54 -0.27 -0.14 0.00 0.00 0.00 0.00 53.44 53.57 1klv n ALA 89 Cb 0.53 0.22 -0.15 0.00 0.00 0.00 0.00 19.45 20.05 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 -2.38 0.06 0.35 0.00 -4.23 -1.26 -1.41 115.64 106.77 1klv s THR 90 Ca 0.05 0.03 0.13 0.00 -1.18 0.00 0.00 61.69 60.73 1klv s THR 90 Cb 0.00 -0.10 0.34 0.00 1.34 0.00 0.00 72.50 74.08 1klv s THR 90 CO 0.04 0.05 1.74 0.24 -0.54 0.00 0.00 174.62 176.15 1klv h MET 91 N 6.54 0.49 -0.48 3.99 2.86 -1.37 0.90 114.93 127.85 1klv h MET 91 Ca -0.32 -0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.39 1klv h MET 91 Cb 1.18 -0.11 -0.08 0.00 0.06 0.00 0.00 31.60 32.64 1klv h MET 91 CO 0.50 0.32 -0.04 0.78 1.06 0.00 0.00 176.91 179.53 1klv h GLY 92 N 0.50 0.45 1.98 8.32 0.00 -1.09 0.17 103.07 113.41 1klv h GLY 92 Ca 0.64 0.09 -0.05 0.00 0.00 0.00 0.00 47.33 48.01 1klv h GLY 92 CO -0.42 -0.15 -0.22 0.06 0.00 0.00 0.00 176.54 175.81 1klv h GLN 93 N 0.08 0.03 0.00 4.80 3.07 -0.97 -1.75 115.11 120.36 1klv h GLN 93 Ca 0.24 -0.01 -0.03 0.00 0.09 0.00 0.00 58.65 58.94 1klv h GLN 93 Cb 0.37 -0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.92 1klv h GLN 93 CO -0.43 0.25 -0.16 1.37 0.09 0.00 0.00 178.83 179.95 1klv h LEU 94 N 0.03 0.00 -0.42 0.06 8.10 -0.35 -3.14 115.31 119.58 1klv h LEU 94 Ca 0.00 0.00 0.09 0.00 0.11 0.00 0.00 57.88 58.08 1klv h LEU 94 Cb 0.41 0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 40.54 1klv h LEU 94 CO 0.03 0.16 -0.26 0.22 -4.11 0.00 0.00 178.44 174.48 1klv h TYR 95 N 0.00 -0.70 0.00 0.17 3.20 -0.50 0.33 116.97 119.47 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 0.55 0.37 -0.00 0.00 1.54 0.00 0.00 36.73 39.19 1klv h TYR 95 CO 0.00 -0.34 -0.07 1.96 -1.64 0.00 0.00 178.16 178.08 1klv h GLN 96 N -0.18 0.00 0.00 1.82 4.20 -1.72 -2.64 115.11 116.59 1klv h GLN 96 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1klv h GLN 96 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1klv h GLN 96 CO -0.53 0.07 -0.09 0.93 -0.67 0.00 0.00 178.83 178.54 1klv h GLU 97 N 0.00 0.00 -1.28 1.46 4.39 -0.54 -3.40 114.58 115.21 1klv h GLU 97 Ca -0.00 0.00 -0.66 0.00 0.34 0.00 0.00 59.36 59.04 1klv h GLU 97 Cb 0.52 0.00 -0.27 0.00 -0.10 0.00 0.00 28.75 28.90 1klv h GLU 97 CO 0.01 0.00 0.86 0.72 -1.16 0.00 0.00 179.01 179.44 1klv n HIS 98 N -2.94 2.98 0.62 4.33 8.25 0.33 -4.54 115.22 124.25 1klv n HIS 98 Ca -0.01 -2.76 0.08 0.00 -0.26 0.00 0.00 57.72 54.76 1klv n HIS 98 Cb 0.05 -1.36 0.37 0.00 1.12 0.00 0.00 29.99 30.17 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 -0.67 0.00 -3.63 4.41 -0.00 -0.99 -2.52 115.22 111.82 1klv n HIS 99 Ca 0.58 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 58.56 1klv n HIS 99 Cb 0.56 -0.45 0.00 0.00 -0.12 0.00 0.00 29.99 29.98 1klv n HIS 99 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1klv n GLU 100 N -1.45 -1.52 -1.44 1.57 0.00 -1.26 -3.94 120.64 112.60 1klv n GLU 100 Ca 0.05 0.94 0.09 0.00 0.00 0.00 0.00 57.16 58.24 1klv n GLU 100 Cb 0.18 -3.02 -0.05 0.00 0.00 0.00 0.00 31.44 28.55 1klv n GLU 100 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1klv n GLU 101 N -2.37 -3.33 -1.52 5.31 1.02 -1.26 -4.15 120.64 114.34 1klv n GLU 101 Ca -0.25 2.66 -0.24 0.00 -0.02 0.00 0.00 57.16 59.31 1klv n GLU 101 Cb 0.65 -3.63 -0.17 0.00 -0.02 0.00 0.00 31.44 28.27 1klv n GLU 101 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1klv n ASP 102 N -3.52 -0.18 0.00 1.62 5.68 -1.26 -4.55 116.55 114.34 1klv n ASP 102 Ca -0.05 -0.63 0.00 0.00 -0.50 0.00 0.00 54.79 53.61 1klv n ASP 102 Cb 0.54 -0.92 0.00 0.00 -1.14 0.00 0.00 41.12 39.60 1klv n ASP 102 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1klv n PHE 103 N 10.02 0.00 0.00 2.11 3.72 -1.25 -5.14 117.46 126.91 1klv n PHE 103 Ca 0.61 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 58.01 1klv n PHE 103 Cb 0.21 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 1klv n PHE 103 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 176.76 178.68 1klv n PHE 104 N 0.00 -0.24 -4.40 1.38 1.16 -1.26 -4.71 117.46 109.38 1klv n PHE 104 Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.37 1klv n PHE 104 Cb 0.00 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 37.77 1klv n PHE 104 CO 0.00 0.00 0.00 -0.48 -1.87 0.00 0.00 176.76 174.41 1klv s LEU 105 N 0.00 2.57 -0.04 5.98 0.05 -1.09 -4.21 118.68 121.94 1klv s LEU 105 Ca 0.00 -1.04 0.05 0.00 0.05 0.00 0.00 54.13 53.19 1klv s LEU 105 Cb 0.00 -0.86 -0.01 0.00 -2.05 0.00 0.00 46.19 43.28 1klv s LEU 105 CO 0.00 -0.09 -0.19 -0.47 -0.55 0.00 0.00 176.35 175.05 1klv s TYR 106 N -2.78 1.82 -0.03 3.48 6.14 -1.05 -0.81 117.35 124.14 1klv s TYR 106 Ca 0.26 -0.51 -0.02 0.00 0.64 0.00 0.00 57.07 57.45 1klv s TYR 106 Cb -0.02 -1.22 0.01 0.00 0.42 0.00 0.00 41.96 41.15 1klv s TYR 106 CO 0.11 -0.16 0.07 0.42 0.64 0.00 0.00 175.55 176.63 1klv s ILE 107 N -0.05 -0.01 0.06 3.14 1.01 -0.05 -4.42 121.20 120.88 1klv s ILE 107 Ca -0.02 0.05 0.07 0.00 0.00 0.00 0.00 60.65 60.74 1klv s ILE 107 Cb -0.11 -0.11 -0.03 0.00 0.01 0.00 0.00 42.46 42.22 1klv s ILE 107 CO 0.02 0.02 -0.18 0.00 0.00 0.00 0.00 174.94 174.80 1klv s ALA 108 N 0.30 1.56 0.24 9.38 0.00 -1.06 -0.29 121.76 131.90 1klv s ALA 108 Ca -0.02 -1.05 0.04 0.00 0.00 0.00 0.00 51.96 50.92 1klv s ALA 108 Cb -0.03 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 1klv s ALA 108 CO -0.01 0.32 -0.00 1.52 0.00 0.00 0.00 175.76 177.58 1klv s TYR 109 N -0.97 1.61 0.32 0.00 1.13 -0.94 -1.21 117.35 117.28 1klv s TYR 109 Ca 0.05 -0.91 -0.14 0.00 -1.41 0.00 0.00 57.07 54.65 1klv s TYR 109 Cb -0.09 -0.94 0.02 0.00 -1.10 0.00 0.00 41.96 39.86 1klv s TYR 109 CO 0.02 -0.02 0.65 0.45 -2.51 0.00 0.00 175.55 174.14 1klv s SER 110 N -3.32 0.09 -0.54 -0.18 0.15 -1.06 -2.04 113.70 106.80 1klv s SER 110 Ca 0.29 -1.03 0.02 0.00 0.70 0.00 0.00 55.95 55.92 1klv s SER 110 Cb 0.06 0.73 0.45 0.00 -1.71 0.00 0.00 66.02 65.54 1klv s SER 110 CO 0.09 -1.42 1.70 -0.90 1.20 0.00 0.00 173.24 173.91 1klv n ASP 111 N -0.96 6.59 0.00 5.45 5.68 -1.26 -0.62 116.55 131.43 1klv n ASP 111 Ca -0.04 -3.78 0.00 0.00 -0.50 0.00 0.00 54.79 50.47 1klv n ASP 111 Cb 0.60 -0.74 0.00 0.00 -1.14 0.00 0.00 41.12 39.85 1klv n ASP 111 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1klv n GLU 112 N -0.80 0.00 0.00 0.11 -0.58 -1.26 -4.72 120.64 113.39 1klv n GLU 112 Ca 0.55 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 57.36 1klv n GLU 112 Cb 0.74 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.58 1klv n GLU 112 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1klv n SER 113 N 0.00 1.18 -4.22 1.62 2.88 -1.26 -4.99 113.62 108.84 1klv n SER 113 Ca 0.00 -1.09 -0.24 0.00 -1.33 0.00 0.00 58.87 56.21 1klv n SER 113 Cb 0.00 0.70 -0.09 0.00 -0.75 0.00 0.00 64.21 64.07 1klv n SER 113 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1klv s VAL 114 N -2.05 0.74 0.12 2.46 0.11 -1.26 -5.09 120.40 115.42 1klv s VAL 114 Ca 0.10 -2.00 -0.35 0.00 -2.93 0.00 0.00 61.98 56.79 1klv s VAL 114 Cb 0.12 -2.48 -0.16 0.00 -1.53 0.00 0.00 36.38 32.33 1klv s VAL 114 CO 0.47 0.00 1.34 0.00 -3.33 0.00 0.00 175.10 173.58 1klv n TYR 115 N -0.82 1.59 -4.12 1.54 9.36 -1.26 -4.96 117.16 118.49 1klv n TYR 115 Ca -0.05 0.59 -0.06 0.00 3.32 0.00 0.00 57.90 61.71 1klv n TYR 115 Cb 0.65 -2.35 -0.01 0.00 -0.63 0.00 0.00 39.34 37.00 1klv n TYR 115 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1klv n GLY 116 N 2.53 3.97 0.69 2.98 0.00 -1.26 -5.17 105.19 108.93 1klv n GLY 116 Ca 0.17 -2.04 0.13 0.00 0.00 0.00 0.00 46.02 44.28 1klv n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36