#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 0.41 -0.01 1.61 4.81 -2.05 0.45 114.58 119.80 1klv h GLU 19 Ca 0.00 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.01 1klv h GLU 19 Cb 0.00 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1klv h GLU 19 CO 0.00 0.27 -0.83 0.87 -0.73 0.00 0.00 179.01 178.59 1klv h LYS 20 N 0.43 0.23 0.00 1.92 1.57 -2.04 -3.00 116.57 115.68 1klv h LYS 20 Ca 0.70 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 1klv h LYS 20 Cb 1.50 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.87 1klv h LYS 20 CO -0.55 0.94 0.02 0.82 -0.57 0.00 0.00 179.45 180.11 1klv h ILE 21 N 0.14 0.00 0.01 1.86 5.03 -0.51 -2.26 117.51 121.77 1klv h ILE 21 Ca -0.04 0.00 -0.13 0.00 -0.12 0.00 0.00 64.86 64.56 1klv h ILE 21 Cb 1.44 0.75 -0.02 0.00 -3.03 0.00 0.00 36.82 35.96 1klv h ILE 21 CO 0.13 0.00 -0.72 -0.09 -0.68 0.00 0.00 178.15 176.79 1klv h ARG 22 N 0.00 0.03 -0.91 2.37 1.12 -1.35 -0.24 114.38 115.40 1klv h ARG 22 Ca 0.00 -0.05 0.12 0.00 -1.11 0.00 0.00 59.98 58.95 1klv h ARG 22 Cb 0.04 0.02 -0.08 0.00 -0.01 0.00 0.00 29.97 29.93 1klv h ARG 22 CO 0.00 1.02 0.53 0.87 -3.11 0.00 0.00 179.97 179.28 1klv h LYS 23 N -0.93 0.79 0.13 0.20 1.57 -1.46 0.56 116.57 117.43 1klv h LYS 23 Ca -0.19 -0.05 -0.23 0.00 -1.87 0.00 0.00 60.65 58.31 1klv h LYS 23 Cb 1.22 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 33.36 1klv h LYS 23 CO -0.09 0.52 -1.09 0.87 -0.57 0.00 0.00 179.45 179.10 1klv h LYS 24 N 0.82 0.27 -2.29 3.15 1.57 -1.59 -3.38 116.57 115.12 1klv h LYS 24 Ca 0.46 -0.46 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 1klv h LYS 24 Cb 0.52 0.17 -0.37 0.00 0.08 0.00 0.00 32.23 32.64 1klv h LYS 24 CO -0.29 1.22 -0.04 0.66 -0.57 0.00 0.00 179.45 180.43 1klv n TYR 25 N -4.04 3.55 0.17 -1.35 4.01 -0.10 -4.79 117.16 114.61 1klv n TYR 25 Ca -0.19 -3.49 0.02 0.00 -0.16 0.00 0.00 57.90 54.08 1klv n TYR 25 Cb 0.86 -0.75 0.29 0.00 -0.31 0.00 0.00 39.34 39.42 1klv n TYR 25 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1klv h PRO 26 N 3.55 0.00 -0.47 -0.72 0.13 -0.07 -2.70 132.00 131.72 1klv h PRO 26 Ca 0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.40 1klv h PRO 26 Cb 0.46 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.59 1klv h PRO 26 CO 0.96 0.46 0.00 -3.47 -0.23 0.00 0.00 178.00 175.72 1klv n ASP 27 N -3.91 3.17 -2.11 1.44 -0.08 -1.26 -4.93 116.55 108.86 1klv n ASP 27 Ca -0.01 -1.96 0.00 0.00 -1.51 0.00 0.00 54.79 51.31 1klv n ASP 27 Cb 0.50 -0.31 0.00 0.00 2.34 0.00 0.00 41.12 43.65 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 1.26 0.51 -3.41 -0.67 3.00 -1.02 -2.98 116.66 113.36 1klv n ARG 28 Ca 0.20 0.00 -0.16 0.00 -0.01 0.00 0.00 57.85 57.88 1klv n ARG 28 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.89 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 -0.35 -0.42 -1.20 1.55 1.01 0.19 -4.54 120.40 116.65 1klv s VAL 29 Ca 0.00 -0.37 -0.21 0.00 0.00 0.00 0.00 61.98 61.39 1klv s VAL 29 Cb 0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 1klv s VAL 29 CO 0.00 -0.38 1.85 -2.16 0.00 0.00 0.00 175.10 174.41 1klv s PRO 30 N 2.38 3.02 0.51 2.72 0.04 -1.26 -2.52 135.00 139.89 1klv s PRO 30 Ca 0.09 -1.38 -0.18 0.00 0.04 0.00 0.00 61.00 59.57 1klv s PRO 30 Cb -0.14 -5.33 -0.08 0.00 0.04 0.00 0.00 34.50 28.99 1klv s PRO 30 CO -0.28 -3.33 1.01 0.14 0.04 0.00 0.00 177.00 174.58 1klv s VAL 31 N 8.56 4.13 0.32 -0.36 -7.23 -0.46 -2.59 120.40 122.77 1klv s VAL 31 Ca 0.63 1.17 0.08 0.00 -1.81 0.00 0.00 61.98 62.04 1klv s VAL 31 Cb 0.00 -3.54 -0.03 0.00 0.56 0.00 0.00 36.38 33.37 1klv s VAL 31 CO 0.10 -0.44 0.22 -0.63 -0.31 0.00 0.00 175.10 174.03 1klv s ILE 32 N -2.31 3.49 -0.01 -0.62 1.09 0.85 -1.97 121.20 121.71 1klv s ILE 32 Ca 0.63 -1.51 0.01 0.00 -1.10 0.00 0.00 60.65 58.68 1klv s ILE 32 Cb -0.13 -3.13 0.01 0.00 -1.06 0.00 0.00 42.46 38.15 1klv s ILE 32 CO 0.25 -0.21 -0.04 -0.69 -0.10 0.00 0.00 174.94 174.15 1klv s VAL 33 N -2.32 0.36 0.24 2.92 1.01 -0.15 -2.10 120.40 120.36 1klv s VAL 33 Ca 0.38 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.16 1klv s VAL 33 Cb -0.05 -0.35 0.03 0.00 0.00 0.00 0.00 36.38 36.01 1klv s VAL 33 CO 0.25 0.13 0.43 -0.62 0.00 0.00 0.00 175.10 175.29 1klv n GLU 34 N 3.35 0.62 -4.34 2.72 1.02 -0.55 -4.70 120.64 118.75 1klv n GLU 34 Ca -0.17 -1.53 -0.24 0.00 -0.02 0.00 0.00 57.16 55.19 1klv n GLU 34 Cb 0.56 1.73 -0.08 0.00 -0.02 0.00 0.00 31.44 33.62 1klv n GLU 34 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1klv s LYS 35 N -2.22 2.11 0.45 3.49 2.47 -1.26 -2.23 119.74 122.54 1klv s LYS 35 Ca 0.13 -1.48 -0.07 0.00 -1.56 0.00 0.00 55.97 52.99 1klv s LYS 35 Cb -0.02 -2.07 0.11 0.00 -1.46 0.00 0.00 37.83 34.39 1klv s LYS 35 CO 0.10 0.37 0.32 0.00 0.16 0.00 0.00 175.35 176.29 1klv n ALA 36 N -0.68 -1.44 -2.18 3.13 0.00 -0.99 -4.81 120.51 113.54 1klv n ALA 36 Ca -0.07 -0.52 -0.42 0.00 0.00 0.00 0.00 53.44 52.43 1klv n ALA 36 Cb 0.59 -0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 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 -3.75 3.27 -1.14 0.00 0.04 -1.26 -3.12 135.00 129.05 1klv s PRO 37 Ca 0.23 0.96 -0.06 0.00 0.04 0.00 0.00 61.00 62.16 1klv s PRO 37 Cb -0.03 -4.17 0.01 0.00 0.04 0.00 0.00 34.50 30.35 1klv s PRO 37 CO 0.18 -1.94 0.99 1.63 0.04 0.00 0.00 177.00 177.89 1klv n LYS 38 N 8.51 -6.62 -0.48 4.56 5.02 -1.26 -4.98 118.16 122.90 1klv n LYS 38 Ca 0.19 0.71 -0.31 0.00 -2.02 0.00 0.00 58.31 56.88 1klv n LYS 38 Cb 0.48 -5.39 0.28 0.00 -0.02 0.00 0.00 35.03 30.39 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 -3.28 -0.53 -0.07 7.82 0.00 -1.18 -5.00 121.76 119.53 1klv s ALA 39 Ca 0.41 -0.85 0.19 0.00 0.00 0.00 0.00 51.96 51.71 1klv s ALA 39 Cb -0.18 -2.93 0.35 0.00 0.00 0.00 0.00 23.12 20.36 1klv s ALA 39 CO 0.62 -4.46 1.15 2.89 0.00 0.00 0.00 175.76 175.96 1klv n ARG 40 N -5.52 0.38 -1.03 0.00 1.85 -1.26 -5.01 116.66 106.06 1klv n ARG 40 Ca 0.13 -1.98 -0.10 0.00 -1.00 0.00 0.00 57.85 54.90 1klv n ARG 40 Cb 0.60 -0.13 0.06 0.00 -1.05 0.00 0.00 32.46 31.95 1klv n ARG 40 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 1klv n ILE 41 N 0.07 0.00 -0.96 8.89 -6.64 -1.26 -4.82 119.36 114.64 1klv n ILE 41 Ca -0.03 -0.49 -0.29 0.00 -1.77 0.00 0.00 62.75 60.18 1klv n ILE 41 Cb 0.98 -1.52 0.22 0.00 -1.44 0.00 0.00 39.64 37.87 1klv n ILE 41 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 1klv s GLY 42 N -3.80 1.55 1.15 3.28 0.00 -1.01 -5.02 107.32 103.46 1klv s GLY 42 Ca 0.27 -0.51 -0.19 0.00 0.00 0.00 0.00 44.72 44.29 1klv s GLY 42 CO 0.19 0.23 1.20 -0.35 0.00 0.00 0.00 173.10 174.37 1klv s ASP 43 N -3.35 1.39 -0.03 1.64 -1.08 -1.16 -4.70 116.67 109.39 1klv s ASP 43 Ca 0.68 0.38 0.01 0.00 -0.52 0.00 0.00 52.55 53.10 1klv s ASP 43 Cb -0.17 -0.46 0.01 0.00 -1.46 0.00 0.00 42.92 40.84 1klv s ASP 43 CO 0.59 -3.81 -0.05 -1.48 0.52 0.00 0.00 175.17 170.94 1klv s LEU 44 N -6.64 1.56 0.29 -1.34 0.05 -1.25 -3.47 118.68 107.88 1klv s LEU 44 Ca 0.74 -0.11 0.22 0.00 0.05 0.00 0.00 54.13 55.02 1klv s LEU 44 Cb -0.06 -0.39 0.12 0.00 -2.05 0.00 0.00 46.19 43.82 1klv s LEU 44 CO 0.55 -0.01 1.26 -2.24 -0.55 0.00 0.00 176.35 175.36 1klv h ASP 45 N 6.75 0.00 -5.04 1.48 2.03 -1.94 -3.47 116.42 116.24 1klv h ASP 45 Ca -0.36 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 55.86 1klv h ASP 45 Cb 1.16 0.00 -0.17 0.00 -0.83 0.00 0.00 39.33 39.49 1klv h ASP 45 CO 0.49 0.05 -0.16 -1.59 -1.03 0.00 0.00 179.24 176.99 1klv s LYS 46 N -3.27 0.86 -0.29 4.15 -2.85 -1.26 -5.07 119.74 112.01 1klv s LYS 46 Ca 0.02 -0.37 0.13 0.00 -1.00 0.00 0.00 55.97 54.75 1klv s LYS 46 Cb 0.08 0.38 0.48 0.00 -2.06 0.00 0.00 37.83 36.70 1klv s LYS 46 CO 0.74 -0.28 1.15 0.36 0.10 0.00 0.00 175.35 177.42 1klv n LYS 47 N 0.63 2.80 -3.15 1.78 0.00 -1.26 -4.92 118.16 114.04 1klv n LYS 47 Ca -0.19 -3.91 0.04 0.00 -0.00 0.00 0.00 58.31 54.26 1klv n LYS 47 Cb 0.59 -1.99 -0.01 0.00 -0.00 0.00 0.00 35.03 33.63 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 0.45 -0.00 -1.58 -2.85 -1.26 -0.98 119.74 109.87 1klv s LYS 48 Ca 0.41 0.62 0.00 0.00 -1.00 0.00 0.00 55.97 56.00 1klv s LYS 48 Cb 0.38 0.32 -0.04 0.00 -2.06 0.00 0.00 37.83 36.43 1klv s LYS 48 CO -0.00 -0.68 0.06 0.71 0.10 0.00 0.00 175.35 175.54 1klv s TYR 49 N 2.88 3.22 -0.56 1.78 1.51 -0.83 -4.97 117.35 120.38 1klv s TYR 49 Ca 0.15 0.17 -0.05 0.00 -1.01 0.00 0.00 57.07 56.32 1klv s TYR 49 Cb -0.11 -1.72 0.15 0.00 -0.11 0.00 0.00 41.96 40.17 1klv s TYR 49 CO -0.22 0.53 0.40 -1.17 -1.11 0.00 0.00 175.55 173.98 1klv s LEU 50 N -1.69 5.51 0.16 -1.29 2.96 -1.26 -1.36 118.68 121.71 1klv s LEU 50 Ca 0.22 -2.43 0.09 0.00 -0.22 0.00 0.00 54.13 51.79 1klv s LEU 50 Cb -0.12 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 1klv s LEU 50 CO 0.13 -0.51 -0.14 0.68 -1.32 0.00 0.00 176.35 175.19 1klv s VAL 51 N 0.56 2.95 0.53 1.68 -7.23 -1.05 -4.86 120.40 112.98 1klv s VAL 51 Ca 0.12 -1.68 -0.20 0.00 -1.81 0.00 0.00 61.98 58.41 1klv s VAL 51 Cb -0.21 -2.42 -0.06 0.00 0.56 0.00 0.00 36.38 34.25 1klv s VAL 51 CO -0.04 -0.05 1.13 -2.16 -0.31 0.00 0.00 175.10 173.68 1klv s PRO 52 N -2.61 3.42 0.39 4.82 0.04 -1.26 0.57 135.00 140.37 1klv s PRO 52 Ca 0.22 1.63 0.28 0.00 0.04 0.00 0.00 61.00 63.17 1klv s PRO 52 Cb -0.09 -2.06 1.37 0.00 0.04 0.00 0.00 34.50 33.76 1klv s PRO 52 CO 0.13 -0.80 1.84 1.03 0.04 0.00 0.00 177.00 179.24 1klv h SER 53 N 1.32 0.00 0.93 6.66 0.87 -1.77 -1.83 113.55 119.73 1klv h SER 53 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 1klv h SER 53 Cb 1.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1klv h SER 53 CO 0.57 0.00 -0.17 -0.67 -0.53 0.00 0.00 176.83 176.03 1klv n ASP 54 N -2.49 0.28 -4.77 6.23 -0.08 -1.26 -1.13 116.55 113.34 1klv n ASP 54 Ca -0.01 0.29 -0.40 0.00 -1.51 0.00 0.00 54.79 53.17 1klv n ASP 54 Cb 0.12 -0.30 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 -3.29 4.21 0.45 -2.67 1.43 -0.69 -4.85 118.68 113.28 1klv s LEU 55 Ca 0.12 2.90 -0.02 0.00 -1.03 0.00 0.00 54.13 56.10 1klv s LEU 55 Cb 0.17 -3.84 -0.02 0.00 0.03 0.00 0.00 46.19 42.54 1klv s LEU 55 CO 0.60 -1.00 0.70 0.42 0.23 0.00 0.00 176.35 177.30 1klv s THR 56 N -1.18 4.43 0.52 5.49 -4.23 -1.26 -0.80 115.64 118.60 1klv s THR 56 Ca 0.57 -0.26 0.17 0.00 -1.18 0.00 0.00 61.69 60.99 1klv s THR 56 Cb -0.43 -3.66 0.29 0.00 1.34 0.00 0.00 72.50 70.04 1klv s THR 56 CO 0.57 -0.52 2.12 0.58 -0.54 0.00 0.00 174.62 176.82 1klv h VAL 57 N 0.37 0.96 0.00 2.29 2.07 -1.64 -0.25 116.25 120.04 1klv h VAL 57 Ca -0.47 -0.01 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 1klv h VAL 57 Cb 1.23 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1klv h VAL 57 CO 0.60 0.00 -0.31 1.23 0.02 0.00 0.00 177.57 179.11 1klv h GLY 58 N 0.02 0.00 0.19 2.17 0.00 -1.87 -1.96 103.07 101.62 1klv h GLY 58 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 1klv h GLY 58 CO -0.00 0.00 -0.01 1.46 0.00 0.00 0.00 176.54 177.99 1klv h GLN 59 N 0.00 -0.03 -0.27 4.80 1.08 -1.42 -3.23 115.11 116.04 1klv h GLN 59 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1klv h GLN 59 Cb 0.68 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 1klv h GLN 59 CO 0.04 0.68 0.17 0.35 -0.95 0.00 0.00 178.83 179.13 1klv h PHE 60 N -0.85 0.35 -0.35 2.96 3.57 -1.49 -0.43 116.94 120.70 1klv h PHE 60 Ca -0.00 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1klv h PHE 60 Cb 0.73 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1klv h PHE 60 CO 0.18 0.24 0.61 -0.92 -2.23 0.00 0.00 178.31 176.20 1klv h TYR 61 N 0.36 0.00 0.00 0.41 5.03 -1.46 -1.64 116.97 119.66 1klv h TYR 61 Ca 0.10 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.39 1klv h TYR 61 Cb -0.02 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.26 1klv h TYR 61 CO -0.05 0.00 -0.19 0.35 -1.32 0.00 0.00 178.16 176.95 1klv h PHE 62 N 0.00 0.00 -0.03 -3.82 3.04 -1.09 -2.47 116.94 112.56 1klv h PHE 62 Ca 0.17 0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.13 1klv h PHE 62 Cb 1.39 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.90 1klv h PHE 62 CO 0.00 0.46 0.06 1.37 -2.02 0.00 0.00 178.31 178.18 1klv h LEU 63 N -1.00 0.00 0.06 0.59 8.10 -1.02 -1.96 115.31 120.08 1klv h LEU 63 Ca -0.03 0.00 -0.33 0.00 0.11 0.00 0.00 57.88 57.62 1klv h LEU 63 Cb 0.51 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.69 1klv h LEU 63 CO -0.02 0.00 -1.90 -0.38 -4.11 0.00 0.00 178.44 172.02 1klv n ILE 64 N -3.57 1.68 -0.38 0.15 5.41 -0.93 -3.86 119.36 117.86 1klv n ILE 64 Ca -0.02 -0.73 -0.04 0.00 1.00 0.00 0.00 62.75 62.96 1klv n ILE 64 Cb 0.14 -1.35 -0.01 0.00 -0.71 0.00 0.00 39.64 37.71 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 -3.24 -0.29 -0.02 0.38 0.63 -0.74 0.19 116.66 113.58 1klv n ARG 65 Ca -0.26 1.45 -0.02 0.00 -0.92 0.00 0.00 57.85 58.11 1klv n ARG 65 Cb 1.05 -2.14 0.25 0.00 0.45 0.00 0.00 32.46 32.07 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 0.56 0.00 -0.14 6.56 -1.74 -0.90 116.57 120.91 1klv h LYS 66 Ca 0.27 -0.14 0.00 0.00 -1.06 0.00 0.00 60.65 59.71 1klv h LYS 66 Cb 0.50 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 1klv h LYS 66 CO -0.92 0.63 0.00 0.54 -2.06 0.00 0.00 179.45 177.63 1klv n ARG 67 N -4.23 0.02 0.01 3.15 5.12 0.52 -1.82 116.66 119.42 1klv n ARG 67 Ca 0.01 0.19 0.12 0.00 -1.93 0.00 0.00 57.85 56.25 1klv n ARG 67 Cb 0.29 -1.54 0.30 0.00 -1.16 0.00 0.00 32.46 30.35 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 -1.59 0.04 -1.94 0.55 -0.00 0.35 -3.81 119.36 112.96 1klv n ILE 68 Ca 0.04 -0.03 -0.06 0.00 -0.00 0.00 0.00 62.75 62.70 1klv n ILE 68 Cb 0.23 0.08 -0.01 0.00 -0.00 0.00 0.00 39.64 39.94 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 -1.57 -0.24 -4.31 1.39 -0.00 -0.76 -2.41 115.22 107.32 1klv n HIS 69 Ca 0.06 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 58.00 1klv n HIS 69 Cb 0.35 -1.80 -0.08 0.00 -0.12 0.00 0.00 29.99 28.34 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 -1.74 3.09 0.00 0.27 0.05 -1.21 -4.64 118.68 114.51 1klv s LEU 70 Ca 0.00 -0.66 -0.09 0.00 0.05 0.00 0.00 54.13 53.43 1klv s LEU 70 Cb 0.00 -1.65 0.03 0.00 -2.05 0.00 0.00 46.19 42.52 1klv s LEU 70 CO 0.00 0.03 0.44 -2.11 -0.55 0.00 0.00 176.35 174.16 1klv n ARG 71 N -0.65 0.40 0.00 1.48 1.85 -1.26 -4.57 116.66 113.91 1klv n ARG 71 Ca -0.07 -0.83 0.00 0.00 -1.00 0.00 0.00 57.85 55.94 1klv n ARG 71 Cb 0.58 1.09 0.00 0.00 -1.05 0.00 0.00 32.46 33.08 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 -1.92 0.00 -2.71 2.89 0.00 -1.26 -1.99 120.51 115.52 1klv n ALA 72 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.34 1klv n ALA 72 Cb 0.27 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.83 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 1.41 -0.91 0.00 0.28 -1.26 -5.13 120.64 115.03 1klv n GLU 73 Ca 0.00 -1.99 -0.30 0.00 -0.16 0.00 0.00 57.16 54.72 1klv n GLU 73 Cb 0.00 -0.24 0.24 0.00 1.43 0.00 0.00 31.44 32.88 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 -1.91 0.70 0.07 -1.84 2.15 -0.84 -5.01 116.67 109.99 1klv s ASP 74 Ca 0.17 0.80 -0.14 0.00 0.43 0.00 0.00 52.55 53.81 1klv s ASP 74 Cb 0.41 -1.15 -0.06 0.00 -0.30 0.00 0.00 42.92 41.82 1klv s ASP 74 CO -0.09 -4.28 0.46 0.00 -0.17 0.00 0.00 175.17 171.09 1klv s ALA 75 N -2.82 3.66 -0.03 3.66 0.00 -1.26 -4.98 121.76 119.99 1klv s ALA 75 Ca 0.70 -0.21 -0.29 0.00 0.00 0.00 0.00 51.96 52.16 1klv s ALA 75 Cb -0.13 -2.42 0.09 0.00 0.00 0.00 0.00 23.12 20.67 1klv s ALA 75 CO 0.57 0.49 0.80 -1.17 0.00 0.00 0.00 175.76 176.45 1klv s LEU 76 N -1.57 -0.49 -0.25 0.00 2.96 -1.26 -4.65 118.68 113.42 1klv s LEU 76 Ca 0.31 0.32 -0.11 0.00 -0.22 0.00 0.00 54.13 54.43 1klv s LEU 76 Cb -0.16 2.25 0.10 0.00 0.50 0.00 0.00 46.19 48.88 1klv s LEU 76 CO 0.17 -0.61 0.57 -0.36 -1.32 0.00 0.00 176.35 174.80 1klv s PHE 77 N -2.13 -1.04 -0.37 5.38 0.08 -0.16 -4.92 117.98 114.83 1klv s PHE 77 Ca -0.02 1.94 -0.18 0.00 0.12 0.00 0.00 56.93 58.79 1klv s PHE 77 Cb -0.01 0.57 0.00 0.00 -0.57 0.00 0.00 43.02 43.01 1klv s PHE 77 CO -0.01 -0.54 0.48 -0.06 -0.10 0.00 0.00 175.22 174.99 1klv s PHE 78 N 2.27 3.18 -0.18 0.36 0.40 -1.26 -1.28 117.98 121.47 1klv s PHE 78 Ca -0.07 0.03 -0.04 0.00 -0.60 0.00 0.00 56.93 56.26 1klv s PHE 78 Cb -0.10 -2.90 -0.03 0.00 0.51 0.00 0.00 43.02 40.51 1klv s PHE 78 CO -0.17 -0.57 -0.02 -0.06 0.70 0.00 0.00 175.22 175.10 1klv s PHE 79 N 2.31 3.03 -0.15 0.36 0.08 -0.14 -4.80 117.98 118.66 1klv s PHE 79 Ca 0.16 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 56.84 1klv s PHE 79 Cb -0.16 -2.01 0.02 0.00 -0.57 0.00 0.00 43.02 40.30 1klv s PHE 79 CO 0.13 -0.14 -0.19 0.08 -0.10 0.00 0.00 175.22 175.01 1klv s VAL 80 N 0.65 1.90 -1.52 -0.44 1.01 -0.94 -2.51 120.40 118.56 1klv s VAL 80 Ca -0.02 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 1klv s VAL 80 Cb -0.14 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.54 1klv s VAL 80 CO 0.02 0.52 0.39 0.59 0.00 0.00 0.00 175.10 176.62 1klv n ASN 81 N 4.41 -5.48 -2.21 3.32 3.02 -1.26 -0.75 115.26 116.30 1klv n ASN 81 Ca -0.20 -0.19 -0.18 0.00 -0.03 0.00 0.00 54.58 53.98 1klv n ASN 81 Cb 0.51 -4.49 0.01 0.00 -0.61 0.00 0.00 39.78 35.19 1klv n ASN 81 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1klv n ASN 82 N -2.30 -5.25 -4.28 6.41 5.15 -1.26 -4.99 115.26 108.74 1klv n ASN 82 Ca -0.13 -0.10 -0.18 0.00 -0.60 0.00 0.00 54.58 53.56 1klv n ASN 82 Cb 0.62 -4.24 -0.10 0.00 -0.53 0.00 0.00 39.78 35.53 1klv n ASN 82 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1klv s VAL 83 N -2.95 0.65 -0.48 3.44 1.01 0.07 -5.11 120.40 117.02 1klv s VAL 83 Ca 0.09 -2.00 0.06 0.00 0.00 0.00 0.00 61.98 60.14 1klv s VAL 83 Cb -0.04 -2.63 0.20 0.00 0.00 0.00 0.00 36.38 33.91 1klv s VAL 83 CO 0.12 0.00 0.66 -0.38 0.00 0.00 0.00 175.10 175.49 1klv n ILE 84 N -0.55 -0.32 -1.38 2.22 -0.00 -1.26 -2.21 119.36 115.85 1klv n ILE 84 Ca -0.01 -1.81 -0.30 0.00 -0.00 0.00 0.00 62.75 60.63 1klv n ILE 84 Cb 0.66 0.30 0.12 0.00 -0.00 0.00 0.00 39.64 40.72 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 0.53 1.53 1.13 0.38 0.04 -1.26 -5.05 135.00 132.30 1klv s PRO 85 Ca 0.31 0.66 -0.19 0.00 0.04 0.00 0.00 61.00 61.83 1klv s PRO 85 Cb 0.06 -1.85 0.26 0.00 0.04 0.00 0.00 34.50 33.01 1klv s PRO 85 CO -0.12 -2.01 1.20 -1.25 0.04 0.00 0.00 177.00 174.85 1klv s PRO 86 N -5.07 -0.68 -0.09 0.56 0.04 -1.26 -4.92 135.00 123.59 1klv s PRO 86 Ca 0.62 -0.25 0.05 0.00 0.04 0.00 0.00 61.00 61.46 1klv s PRO 86 Cb -0.16 -1.68 0.30 0.00 0.04 0.00 0.00 34.50 33.00 1klv s PRO 86 CO 0.55 -3.32 0.97 0.25 0.04 0.00 0.00 177.00 175.50 1klv n THR 87 N -4.44 1.04 -0.99 1.26 -2.24 -1.26 -4.19 114.28 103.46 1klv n THR 87 Ca 0.15 -0.52 -0.24 0.00 -2.27 0.00 0.00 64.05 61.18 1klv n THR 87 Cb 0.60 -0.44 0.08 0.00 -2.10 0.00 0.00 70.33 68.46 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 6.19 -2.03 3.42 3.41 -1.26 -4.43 113.62 119.13 1klv n SER 88 Ca 0.11 -3.36 -0.08 0.00 -0.26 0.00 0.00 58.87 55.28 1klv n SER 88 Cb 0.61 -0.95 -0.02 0.00 -0.26 0.00 0.00 64.21 63.59 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 -0.38 0.00 -2.95 7.33 0.00 -1.26 -5.06 120.51 118.19 1klv n ALA 89 Ca 0.46 -0.86 -0.10 0.00 0.00 0.00 0.00 53.44 52.94 1klv n ALA 89 Cb 0.81 0.69 -0.11 0.00 0.00 0.00 0.00 19.45 20.84 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 -2.64 0.21 0.33 0.00 -4.23 -1.26 -2.14 115.64 105.92 1klv s THR 90 Ca 0.16 -0.94 0.09 0.00 -1.18 0.00 0.00 61.69 59.82 1klv s THR 90 Cb -0.00 -0.34 0.32 0.00 1.34 0.00 0.00 72.50 73.83 1klv s THR 90 CO 0.12 -0.47 1.80 0.24 -0.54 0.00 0.00 174.62 175.77 1klv h MET 91 N 4.63 0.66 -0.98 3.99 2.86 -1.12 0.36 114.93 125.33 1klv h MET 91 Ca -0.33 -0.04 0.13 0.00 -2.06 0.00 0.00 59.70 57.40 1klv h MET 91 Cb 1.21 -0.15 -0.09 0.00 0.06 0.00 0.00 31.60 32.63 1klv h MET 91 CO 0.41 0.44 0.60 0.78 1.06 0.00 0.00 176.91 180.20 1klv h GLY 92 N 0.68 1.61 0.79 8.32 0.00 -1.31 -1.31 103.07 111.85 1klv h GLY 92 Ca 0.55 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 1klv h GLY 92 CO -0.32 0.12 -0.09 1.46 0.00 0.00 0.00 176.54 177.70 1klv h GLN 93 N 0.93 0.40 -0.02 4.80 4.20 -1.09 -2.53 115.11 121.79 1klv h GLN 93 Ca 0.50 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 59.04 1klv h GLN 93 Cb 0.54 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 1klv h GLN 93 CO -0.28 0.70 0.16 1.37 -0.67 0.00 0.00 178.83 180.10 1klv h LEU 94 N 0.08 0.00 -0.42 1.46 8.10 -0.99 -2.66 115.31 120.90 1klv h LEU 94 Ca 0.04 0.00 0.08 0.00 0.11 0.00 0.00 57.88 58.12 1klv h LEU 94 Cb 0.58 0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 40.71 1klv h LEU 94 CO 0.03 0.00 -0.27 0.22 -4.11 0.00 0.00 178.44 174.30 1klv h TYR 95 N 0.00 -0.73 0.00 0.17 3.20 -0.86 0.35 116.97 119.09 1klv h TYR 95 Ca 0.01 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1klv h TYR 95 Cb 0.32 0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.98 1klv h TYR 95 CO 0.00 -0.34 0.00 0.37 -1.64 0.00 0.00 178.16 176.55 1klv h GLN 96 N -0.20 0.00 0.00 1.82 4.15 -1.66 -3.12 115.11 116.11 1klv h GLN 96 Ca 0.19 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.61 1klv h GLN 96 Cb 0.50 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.19 1klv h GLN 96 CO -0.53 0.00 -0.27 0.93 -1.93 0.00 0.00 178.83 177.03 1klv h GLU 97 N 0.00 0.00 -1.05 1.69 4.39 -0.52 -3.41 114.58 115.68 1klv h GLU 97 Ca 0.00 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.14 1klv h GLU 97 Cb 0.47 0.00 -0.27 0.00 -0.10 0.00 0.00 28.75 28.85 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 -3.92 2.87 -2.60 4.33 8.25 0.18 -4.97 115.22 119.36 1klv n HIS 98 Ca -0.04 -2.38 -0.22 0.00 -0.26 0.00 0.00 57.72 54.83 1klv n HIS 98 Cb 0.14 -1.17 0.04 0.00 1.12 0.00 0.00 29.99 30.13 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 -3.27 2.89 -0.28 4.41 -3.43 -1.18 -2.50 115.29 111.94 1klv s HIS 99 Ca 0.56 0.07 0.01 0.00 -0.80 0.00 0.00 55.06 54.90 1klv s HIS 99 Cb 0.45 -2.78 0.16 0.00 -1.43 0.00 0.00 32.58 28.98 1klv s HIS 99 CO 0.04 -0.91 0.44 -2.00 -2.00 0.00 0.00 174.74 170.31 1klv s GLU 100 N -4.82 0.43 0.37 -0.38 2.12 -1.06 -4.92 118.70 110.45 1klv s GLU 100 Ca 0.57 0.32 0.00 0.00 0.36 0.00 0.00 54.97 56.22 1klv s GLU 100 Cb -0.10 -0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.09 1klv s GLU 100 CO 0.39 -0.94 0.00 0.39 -0.54 0.00 0.00 175.26 174.57 1klv n GLU 101 N 5.37 0.00 0.00 4.30 1.02 -1.26 -4.65 120.64 125.42 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 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.92 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 -3.83 0.00 -2.73 1.62 2.03 -1.26 -3.94 116.55 108.43 1klv n ASP 102 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 1klv n ASP 102 Cb 0.00 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.46 1klv n ASP 102 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1klv n PHE 103 N 14.00 0.34 -3.99 -0.67 -1.74 -1.26 -5.11 117.46 119.03 1klv n PHE 103 Ca 0.00 -2.33 -0.09 0.00 -0.56 0.00 0.00 57.45 54.47 1klv n PHE 103 Cb 0.00 0.16 -0.08 0.00 1.52 0.00 0.00 39.48 41.08 1klv n PHE 103 CO 0.00 0.00 0.00 -0.59 -0.56 0.00 0.00 176.76 175.61 1klv s PHE 104 N -2.54 0.45 0.37 2.97 -0.12 -1.25 -4.56 117.98 113.29 1klv s PHE 104 Ca 0.24 -0.85 0.08 0.00 -0.05 0.00 0.00 56.93 56.35 1klv s PHE 104 Cb 0.40 -0.18 -0.06 0.00 -0.63 0.00 0.00 43.02 42.55 1klv s PHE 104 CO -0.02 -0.60 0.02 -0.48 -0.05 0.00 0.00 175.22 174.09 1klv s LEU 105 N -2.95 2.92 -0.05 -1.99 0.05 -1.07 -2.57 118.68 113.02 1klv s LEU 105 Ca 0.15 -1.16 0.04 0.00 0.05 0.00 0.00 54.13 53.20 1klv s LEU 105 Cb 0.05 -1.16 -0.00 0.00 -2.05 0.00 0.00 46.19 43.03 1klv s LEU 105 CO -0.03 -0.35 -0.17 -0.72 -0.55 0.00 0.00 176.35 174.53 1klv s TYR 106 N -2.61 1.76 0.01 3.48 1.13 -1.04 -0.11 117.35 119.97 1klv s TYR 106 Ca 0.35 -0.55 -0.02 0.00 -1.41 0.00 0.00 57.07 55.45 1klv s TYR 106 Cb 0.04 -1.20 -0.01 0.00 -1.10 0.00 0.00 41.96 39.70 1klv s TYR 106 CO 0.19 -0.21 0.02 0.42 -2.51 0.00 0.00 175.55 173.46 1klv s ILE 107 N 0.17 0.07 0.30 -3.49 1.01 -0.89 -4.42 121.20 113.95 1klv s ILE 107 Ca -0.07 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.04 1klv s ILE 107 Cb -0.13 -0.23 -0.03 0.00 0.01 0.00 0.00 42.46 42.07 1klv s ILE 107 CO 0.03 -0.33 0.25 0.00 0.00 0.00 0.00 174.94 174.89 1klv s ALA 108 N -1.01 1.73 0.23 9.38 0.00 -1.04 -1.48 121.76 129.57 1klv s ALA 108 Ca -0.11 -2.00 -0.03 0.00 0.00 0.00 0.00 51.96 49.81 1klv s ALA 108 Cb -0.07 1.46 -0.03 0.00 0.00 0.00 0.00 23.12 24.49 1klv s ALA 108 CO -0.00 -0.65 0.25 1.52 0.00 0.00 0.00 175.76 176.88 1klv s TYR 109 N -3.59 1.01 0.21 0.00 1.13 -0.95 -0.96 117.35 114.20 1klv s TYR 109 Ca 0.40 -1.24 -0.08 0.00 -1.41 0.00 0.00 57.07 54.75 1klv s TYR 109 Cb 0.03 -0.36 0.03 0.00 -1.10 0.00 0.00 41.96 40.57 1klv s TYR 109 CO 0.25 -0.78 0.41 0.45 -2.51 0.00 0.00 175.55 173.36 1klv n SER 110 N -0.49 -1.18 -0.28 -0.18 2.88 -0.40 -2.35 113.62 111.61 1klv n SER 110 Ca 0.02 -1.83 0.06 0.00 -1.33 0.00 0.00 58.87 55.78 1klv n SER 110 Cb 0.64 1.98 0.08 0.00 -0.75 0.00 0.00 64.21 66.16 1klv n SER 110 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1klv n ASP 111 N -1.30 1.35 -1.76 -3.46 -0.08 -1.26 -0.99 116.55 109.05 1klv n ASP 111 Ca -0.04 -2.64 0.00 0.00 -1.51 0.00 0.00 54.79 50.60 1klv n ASP 111 Cb 0.31 -0.33 0.00 0.00 2.34 0.00 0.00 41.12 43.43 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 -0.81 -4.95 0.00 -0.67 1.02 -1.26 -4.73 120.64 109.24 1klv n GLU 112 Ca 0.09 3.60 0.14 0.00 -0.02 0.00 0.00 57.16 60.98 1klv n GLU 112 Cb 0.67 -3.99 0.63 0.00 -0.02 0.00 0.00 31.44 28.73 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 0.11 0.77 -4.96 1.62 3.41 -1.26 -4.87 113.62 108.44 1klv n SER 113 Ca 0.00 -1.01 -0.19 0.00 -0.26 0.00 0.00 58.87 57.42 1klv n SER 113 Cb 0.00 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 63.93 1klv n SER 113 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1klv s VAL 114 N -2.22 3.26 0.71 -3.33 0.11 -1.26 -5.09 120.40 112.58 1klv s VAL 114 Ca 0.36 -1.10 -0.12 0.00 -2.93 0.00 0.00 61.98 58.18 1klv s VAL 114 Cb 0.21 -3.12 0.02 0.00 -1.53 0.00 0.00 36.38 31.96 1klv s VAL 114 CO 0.41 -0.06 1.09 -0.47 -3.33 0.00 0.00 175.10 172.74 1klv s TYR 115 N -2.32 2.74 0.00 1.54 5.04 -1.26 -5.05 117.35 118.04 1klv s TYR 115 Ca 0.50 1.52 0.00 0.00 -2.44 0.00 0.00 57.07 56.65 1klv s TYR 115 Cb -0.08 -3.04 0.00 0.00 0.35 0.00 0.00 41.96 39.19 1klv s TYR 115 CO 0.31 -1.58 0.00 0.41 -1.34 0.00 0.00 175.55 173.35 1klv n GLY 116 N -1.16 -0.38 0.00 8.97 0.00 -1.26 -5.16 105.19 106.20 1klv n GLY 116 Ca 0.09 -1.47 0.13 0.00 0.00 0.00 0.00 46.02 44.77 1klv n GLY 116 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79