#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 0.00 0.03 1.61 4.81 -2.06 0.10 114.58 119.07 1klv h GLU 19 Ca 0.00 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 1klv h GLU 19 Cb 0.00 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.39 1klv h GLU 19 CO 0.00 0.00 -1.03 0.87 -0.73 0.00 0.00 179.01 178.12 1klv h LYS 20 N 0.00 0.48 0.00 1.92 1.57 -2.04 -3.06 116.57 115.44 1klv h LYS 20 Ca 0.01 -0.55 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 1klv h LYS 20 Cb 0.62 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1klv h LYS 20 CO -0.00 1.19 0.01 0.82 -0.57 0.00 0.00 179.45 180.91 1klv h ILE 21 N 0.25 0.00 0.10 1.86 5.03 -1.20 -1.20 117.51 122.35 1klv h ILE 21 Ca -0.11 0.00 -0.33 0.00 -0.12 0.00 0.00 64.86 64.30 1klv h ILE 21 Cb 1.68 0.93 -0.02 0.00 -3.03 0.00 0.00 36.82 36.39 1klv h ILE 21 CO 0.18 0.00 -1.78 -0.09 -0.68 0.00 0.00 178.15 175.78 1klv h ARG 22 N 0.00 0.21 -0.44 2.37 1.12 -1.57 -0.75 114.38 115.31 1klv h ARG 22 Ca 0.00 -0.36 -0.08 0.00 -1.11 0.00 0.00 59.98 58.42 1klv h ARG 22 Cb 0.02 0.14 -0.02 0.00 -0.01 0.00 0.00 29.97 30.10 1klv h ARG 22 CO 0.00 1.03 -0.06 -0.22 -3.11 0.00 0.00 179.97 177.62 1klv h LYS 23 N 0.06 0.76 0.11 0.20 3.64 -1.17 0.62 116.57 120.79 1klv h LYS 23 Ca -0.34 -0.23 -0.26 0.00 -1.27 0.00 0.00 60.65 58.56 1klv h LYS 23 Cb 2.03 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.77 1klv h LYS 23 CO 0.11 0.81 -1.32 0.87 -2.27 0.00 0.00 179.45 177.65 1klv h LYS 24 N 0.70 0.24 -2.30 1.90 1.57 -1.45 -3.39 116.57 113.85 1klv h LYS 24 Ca 0.13 -0.41 -0.65 0.00 -1.87 0.00 0.00 60.65 57.85 1klv h LYS 24 Cb 0.51 0.15 -0.38 0.00 0.08 0.00 0.00 32.23 32.60 1klv h LYS 24 CO 0.03 1.20 -0.19 0.66 -0.57 0.00 0.00 179.45 180.57 1klv n TYR 25 N -3.97 3.65 1.00 -1.35 4.01 -0.29 -4.79 117.16 115.43 1klv n TYR 25 Ca -0.24 -3.63 0.10 0.00 -0.16 0.00 0.00 57.90 53.97 1klv n TYR 25 Cb 0.88 -0.69 0.52 0.00 -0.31 0.00 0.00 39.34 39.74 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 -0.02 0.36 -0.12 -0.72 -0.04 0.20 -2.50 135.00 132.16 1klv n PRO 26 Ca 0.34 0.08 0.05 0.00 -0.04 0.00 0.00 63.50 63.93 1klv n PRO 26 Cb 0.36 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.22 2.58 -3.44 3.54 2.03 -1.26 -5.03 116.55 113.75 1klv n ASP 27 Ca 0.11 -2.38 -0.17 0.00 0.52 0.00 0.00 54.79 52.87 1klv n ASP 27 Cb 0.13 -0.23 -0.03 0.00 -0.72 0.00 0.00 41.12 40.28 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 -0.45 1.28 -3.43 -0.67 3.00 -1.04 -3.41 116.66 111.94 1klv n ARG 28 Ca 0.09 -1.93 -0.16 0.00 -0.01 0.00 0.00 57.85 55.84 1klv n ARG 28 Cb 0.47 0.45 -0.11 0.00 0.00 0.00 0.00 32.46 33.27 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 -1.85 -0.41 -1.07 1.55 1.01 0.16 -4.58 120.40 115.21 1klv s VAL 29 Ca 0.04 -0.21 -0.22 0.00 0.00 0.00 0.00 61.98 61.59 1klv s VAL 29 Cb -0.00 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.58 1klv s VAL 29 CO 0.02 -0.26 1.73 -2.16 0.00 0.00 0.00 175.10 174.43 1klv s PRO 30 N 2.39 3.19 0.16 2.72 0.04 -1.26 -2.61 135.00 139.63 1klv s PRO 30 Ca 0.09 -1.06 -0.30 0.00 0.04 0.00 0.00 61.00 59.77 1klv s PRO 30 Cb -0.15 -5.29 -0.07 0.00 0.04 0.00 0.00 34.50 29.03 1klv s PRO 30 CO -0.19 -2.84 0.96 0.14 0.04 0.00 0.00 177.00 175.11 1klv s VAL 31 N 7.28 4.31 0.34 -0.36 -7.23 -0.71 -2.65 120.40 121.38 1klv s VAL 31 Ca 0.58 2.05 -0.03 0.00 -1.81 0.00 0.00 61.98 62.77 1klv s VAL 31 Cb -0.01 -4.31 -0.04 0.00 0.56 0.00 0.00 36.38 32.58 1klv s VAL 31 CO -0.00 0.38 0.60 -0.63 -0.31 0.00 0.00 175.10 175.14 1klv s ILE 32 N -0.44 5.02 -0.00 -0.62 -1.09 -0.07 -1.85 121.20 122.15 1klv s ILE 32 Ca 0.45 -0.06 0.02 0.00 -2.23 0.00 0.00 60.65 58.83 1klv s ILE 32 Cb -0.25 -3.80 -0.01 0.00 -1.58 0.00 0.00 42.46 36.83 1klv s ILE 32 CO 0.31 -0.49 -0.08 -0.69 -1.23 0.00 0.00 174.94 172.76 1klv s VAL 33 N -2.28 0.62 0.26 2.92 1.01 0.16 -2.06 120.40 121.02 1klv s VAL 33 Ca 0.43 -0.36 -0.17 0.00 0.00 0.00 0.00 61.98 61.88 1klv s VAL 33 Cb -0.10 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.76 1klv s VAL 33 CO 0.34 0.15 0.61 -1.61 0.00 0.00 0.00 175.10 174.59 1klv s GLU 34 N -0.24 1.66 0.30 2.72 0.41 -0.80 -4.76 118.70 117.99 1klv s GLU 34 Ca 0.03 -1.10 0.08 0.00 -0.41 0.00 0.00 54.97 53.57 1klv s GLU 34 Cb -0.03 0.55 -0.04 0.00 -1.78 0.00 0.00 34.13 32.82 1klv s GLU 34 CO -0.00 -0.73 0.15 0.21 -0.49 0.00 0.00 175.26 174.39 1klv s LYS 35 N -3.96 2.56 0.31 1.61 2.47 -1.26 -2.04 119.74 119.43 1klv s LYS 35 Ca 0.16 -1.35 -0.05 0.00 -1.56 0.00 0.00 55.97 53.17 1klv s LYS 35 Cb -0.03 -2.32 0.08 0.00 -1.46 0.00 0.00 37.83 34.09 1klv s LYS 35 CO 0.07 0.24 0.20 0.00 0.16 0.00 0.00 175.35 176.03 1klv n ALA 36 N -1.14 -1.06 -2.18 3.13 0.00 -0.94 -4.79 120.51 113.53 1klv n ALA 36 Ca -0.05 -0.34 -0.43 0.00 0.00 0.00 0.00 53.44 52.62 1klv n ALA 36 Cb 0.60 -0.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 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 -3.48 3.49 -1.21 0.00 0.04 -1.26 -3.03 135.00 129.55 1klv s PRO 37 Ca 0.15 1.21 -0.06 0.00 0.04 0.00 0.00 61.00 62.34 1klv s PRO 37 Cb -0.02 -4.10 0.01 0.00 0.04 0.00 0.00 34.50 30.42 1klv s PRO 37 CO 0.12 -1.66 1.05 1.63 0.04 0.00 0.00 177.00 178.18 1klv n LYS 38 N 8.19 -7.02 -0.26 4.56 5.02 -1.26 -4.97 118.16 122.42 1klv n LYS 38 Ca 0.19 0.77 -0.30 0.00 -2.02 0.00 0.00 58.31 56.95 1klv n LYS 38 Cb 0.47 -5.61 0.29 0.00 -0.02 0.00 0.00 35.03 30.16 1klv n LYS 38 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1klv n ALA 39 N -4.57 -4.88 -2.24 7.82 0.00 -1.17 -5.00 120.51 110.47 1klv n ALA 39 Ca -0.06 -1.88 -0.01 0.00 0.00 0.00 0.00 53.44 51.48 1klv n ALA 39 Cb 0.58 -1.58 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 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 -5.58 0.00 -2.23 0.00 1.85 -1.26 -5.02 116.66 104.41 1klv n ARG 40 Ca 0.13 -1.48 -0.27 0.00 -1.00 0.00 0.00 57.85 55.23 1klv n ARG 40 Cb 0.59 0.24 0.15 0.00 -1.05 0.00 0.00 32.46 32.39 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 2.05 0.76 8.89 -5.25 -1.26 -4.97 121.20 121.41 1klv s ILE 41 Ca 0.17 -0.27 -0.08 0.00 -0.99 0.00 0.00 60.65 59.47 1klv s ILE 41 Cb 0.19 -2.78 0.13 0.00 2.95 0.00 0.00 42.46 42.95 1klv s ILE 41 CO -0.08 0.00 0.30 0.61 -1.79 0.00 0.00 174.94 173.97 1klv n GLY 42 N -3.36 -1.58 3.56 6.27 0.00 -0.05 -4.98 105.19 105.06 1klv n GLY 42 Ca 0.15 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.67 0.55 -3.85 1.61 2.03 -1.26 -4.77 116.55 110.19 1klv n ASP 43 Ca 0.05 -1.68 -0.15 0.00 0.52 0.00 0.00 54.79 53.52 1klv n ASP 43 Cb 0.21 -0.80 -0.15 0.00 -0.72 0.00 0.00 41.12 39.65 1klv n ASP 43 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1klv s LEU 44 N 0.00 1.55 0.19 -2.67 2.01 -1.26 -4.17 118.68 114.33 1klv s LEU 44 Ca 0.66 -0.02 0.18 0.00 0.01 0.00 0.00 54.13 54.96 1klv s LEU 44 Cb -0.02 -0.14 -0.01 0.00 0.01 0.00 0.00 46.19 46.03 1klv s LEU 44 CO 0.45 -0.04 1.13 -0.78 1.01 0.00 0.00 176.35 178.12 1klv h ASP 45 N 6.71 0.00 -5.01 2.29 3.58 -1.98 -3.47 116.42 118.53 1klv h ASP 45 Ca -0.35 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.04 1klv h ASP 45 Cb 1.16 0.00 -0.16 0.00 1.72 0.00 0.00 39.33 42.05 1klv h ASP 45 CO 0.49 0.40 0.07 -1.59 -2.88 0.00 0.00 179.24 175.73 1klv s LYS 46 N -3.04 1.05 -0.36 0.28 -2.85 -1.26 -5.06 119.74 108.50 1klv s LYS 46 Ca 0.01 -0.18 0.06 0.00 -1.00 0.00 0.00 55.97 54.85 1klv s LYS 46 Cb 0.08 0.48 0.45 0.00 -2.06 0.00 0.00 37.83 36.78 1klv s LYS 46 CO 0.77 -0.38 1.22 0.36 0.10 0.00 0.00 175.35 177.42 1klv n LYS 47 N 0.42 3.51 -3.19 1.78 0.00 -1.26 -4.94 118.16 114.48 1klv n LYS 47 Ca -0.18 -4.22 0.01 0.00 -0.00 0.00 0.00 58.31 53.92 1klv n LYS 47 Cb 0.60 -2.27 -0.02 0.00 -0.00 0.00 0.00 35.03 33.34 1klv n LYS 47 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1klv s LYS 48 N -3.60 0.52 -0.08 -1.58 1.02 -1.26 -0.67 119.74 114.09 1klv s LYS 48 Ca 0.51 0.89 -0.03 0.00 0.02 0.00 0.00 55.97 57.35 1klv s LYS 48 Cb 0.41 0.34 -0.04 0.00 -0.52 0.00 0.00 37.83 38.02 1klv s LYS 48 CO -0.04 -0.64 0.07 0.71 -0.92 0.00 0.00 175.35 174.52 1klv s TYR 49 N 2.79 3.35 -0.65 3.18 1.51 -0.77 -4.95 117.35 121.82 1klv s TYR 49 Ca 0.19 0.32 -0.11 0.00 -1.01 0.00 0.00 57.07 56.46 1klv s TYR 49 Cb -0.15 -1.83 0.17 0.00 -0.11 0.00 0.00 41.96 40.03 1klv s TYR 49 CO -0.20 0.58 0.55 -1.17 -1.11 0.00 0.00 175.55 174.21 1klv s LEU 50 N -1.11 6.12 0.12 -1.29 2.96 -1.26 -1.74 118.68 122.48 1klv s LEU 50 Ca 0.16 -2.35 0.10 0.00 -0.22 0.00 0.00 54.13 51.81 1klv s LEU 50 Cb -0.12 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 1klv s LEU 50 CO 0.05 -0.62 -0.21 0.68 -1.32 0.00 0.00 176.35 174.93 1klv s VAL 51 N 0.70 2.63 0.53 1.68 -7.23 -1.07 -4.87 120.40 112.77 1klv s VAL 51 Ca 0.12 -1.57 -0.20 0.00 -1.81 0.00 0.00 61.98 58.52 1klv s VAL 51 Cb -0.20 -2.19 -0.06 0.00 0.56 0.00 0.00 36.38 34.49 1klv s VAL 51 CO -0.04 0.11 1.12 -2.16 -0.31 0.00 0.00 175.10 173.83 1klv s PRO 52 N -2.06 3.46 0.46 4.82 0.04 -1.26 0.39 135.00 140.85 1klv s PRO 52 Ca 0.16 1.59 0.31 0.00 0.04 0.00 0.00 61.00 63.10 1klv s PRO 52 Cb -0.10 -2.05 1.62 0.00 0.04 0.00 0.00 34.50 34.01 1klv s PRO 52 CO 0.08 -0.76 1.95 0.77 0.04 0.00 0.00 177.00 179.09 1klv h SER 53 N 1.33 0.00 0.93 6.66 0.02 -1.80 -1.74 113.55 118.95 1klv h SER 53 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1klv h SER 53 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1klv h SER 53 CO 0.57 0.00 -0.23 -0.67 -1.14 0.00 0.00 176.83 175.37 1klv n ASP 54 N -2.63 0.38 -4.77 3.07 -0.08 -1.26 -0.25 116.55 111.01 1klv n ASP 54 Ca -0.01 0.25 -0.40 0.00 -1.51 0.00 0.00 54.79 53.12 1klv n ASP 54 Cb 0.10 -0.25 0.00 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 -3.45 4.25 0.30 -2.67 1.43 -0.65 -4.83 118.68 113.05 1klv s LEU 55 Ca 0.11 2.94 -0.06 0.00 -1.03 0.00 0.00 54.13 56.09 1klv s LEU 55 Cb 0.17 -3.78 -0.06 0.00 0.03 0.00 0.00 46.19 42.55 1klv s LEU 55 CO 0.62 -0.94 0.58 0.42 0.23 0.00 0.00 176.35 177.26 1klv s THR 56 N -1.16 4.98 0.65 5.49 -4.23 -1.26 -0.80 115.64 119.30 1klv s THR 56 Ca 0.56 0.20 0.31 0.00 -1.18 0.00 0.00 61.69 61.57 1klv s THR 56 Cb -0.44 -3.72 0.32 0.00 1.34 0.00 0.00 72.50 70.01 1klv s THR 56 CO 0.59 -0.31 1.96 0.58 -0.54 0.00 0.00 174.62 176.90 1klv h VAL 57 N 1.41 0.07 -0.26 2.29 2.07 -1.66 0.10 116.25 120.27 1klv h VAL 57 Ca -0.47 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 66.85 1klv h VAL 57 Cb 1.19 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1klv h VAL 57 CO 0.66 0.00 -0.60 1.23 0.02 0.00 0.00 177.57 178.89 1klv h GLY 58 N 0.00 0.92 0.74 2.17 0.00 -1.86 -1.60 103.07 103.44 1klv h GLY 58 Ca 0.03 -1.12 -0.03 0.00 0.00 0.00 0.00 47.33 46.20 1klv h GLY 58 CO -0.00 1.00 -0.05 1.46 0.00 0.00 0.00 176.54 178.96 1klv h GLN 59 N 0.63 0.27 -0.40 4.80 1.08 -1.17 -3.07 115.11 117.24 1klv h GLN 59 Ca 0.00 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1klv h GLN 59 Cb 1.21 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.61 1klv h GLN 59 CO 0.13 0.58 0.25 0.35 -0.95 0.00 0.00 178.83 179.19 1klv h PHE 60 N -0.06 0.51 -0.27 2.96 3.57 -1.54 -0.41 116.94 121.71 1klv h PHE 60 Ca 0.03 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.62 1klv h PHE 60 Cb 0.49 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1klv h PHE 60 CO 0.06 0.34 0.53 -0.92 -2.23 0.00 0.00 178.31 176.09 1klv h TYR 61 N 0.53 0.00 0.00 0.41 5.03 -1.23 -1.17 116.97 120.55 1klv h TYR 61 Ca 0.14 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.45 1klv h TYR 61 Cb -0.03 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.24 1klv h TYR 61 CO -0.04 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 -0.01 -3.82 3.57 -0.98 -2.50 116.94 113.20 1klv h PHE 62 Ca 0.13 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1klv h PHE 62 Cb 1.18 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 1klv h PHE 62 CO 0.00 0.55 0.02 1.37 -2.23 0.00 0.00 178.31 178.02 1klv h LEU 63 N -1.00 0.00 0.11 0.59 8.10 -1.01 -2.30 115.31 119.80 1klv h LEU 63 Ca -0.00 0.00 -0.36 0.00 0.11 0.00 0.00 57.88 57.63 1klv h LEU 63 Cb 0.55 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.75 1klv h LEU 63 CO -0.00 0.00 -1.97 -0.38 -4.11 0.00 0.00 178.44 171.98 1klv n ILE 64 N -3.31 1.76 -0.26 0.15 5.41 -0.92 -3.77 119.36 118.42 1klv n ILE 64 Ca -0.03 -0.68 -0.07 0.00 1.00 0.00 0.00 62.75 62.98 1klv n ILE 64 Cb 0.09 -1.63 -0.06 0.00 -0.71 0.00 0.00 39.64 37.33 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 -3.42 -0.28 0.17 0.38 0.63 -0.87 0.14 116.66 113.42 1klv n ARG 65 Ca -0.30 1.15 0.02 0.00 -0.92 0.00 0.00 57.85 57.81 1klv n ARG 65 Cb 1.05 -1.70 0.37 0.00 0.45 0.00 0.00 32.46 32.62 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 0.07 0.00 -0.14 6.56 -1.76 -1.27 116.57 120.03 1klv h LYS 66 Ca 0.10 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 1klv h LYS 66 Cb 0.26 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.91 1klv h LYS 66 CO -0.59 0.37 0.00 0.54 -2.06 0.00 0.00 179.45 177.71 1klv n ARG 67 N -4.15 0.15 -0.53 3.15 5.12 0.38 -1.48 116.66 119.29 1klv n ARG 67 Ca -0.02 0.44 0.09 0.00 -1.93 0.00 0.00 57.85 56.43 1klv n ARG 67 Cb 0.37 -1.82 0.32 0.00 -1.16 0.00 0.00 32.46 30.17 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 -2.11 1.77 -2.31 0.55 5.41 0.12 -4.14 119.36 118.65 1klv n ILE 68 Ca 0.02 -1.26 -0.08 0.00 1.00 0.00 0.00 62.75 62.43 1klv n ILE 68 Cb 0.18 0.14 -0.01 0.00 -0.71 0.00 0.00 39.64 39.24 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 0.85 -1.49 -4.21 1.39 -0.00 -0.55 -0.87 115.22 110.35 1klv n HIS 69 Ca 0.23 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 58.15 1klv n HIS 69 Cb 0.83 -2.15 -0.08 0.00 -0.12 0.00 0.00 29.99 28.48 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 -5.12 3.33 0.00 0.27 0.05 -1.19 -4.68 118.68 111.34 1klv s LEU 70 Ca 0.00 -0.40 -0.03 0.00 0.05 0.00 0.00 54.13 53.75 1klv s LEU 70 Cb 0.00 -1.97 0.01 0.00 -2.05 0.00 0.00 46.19 42.18 1klv s LEU 70 CO 0.00 0.08 0.16 -2.11 -0.55 0.00 0.00 176.35 173.93 1klv n ARG 71 N -0.21 0.13 0.00 1.48 1.85 -1.26 -4.47 116.66 114.18 1klv n ARG 71 Ca -0.09 -0.29 0.00 0.00 -1.00 0.00 0.00 57.85 56.47 1klv n ARG 71 Cb 0.55 0.38 0.00 0.00 -1.05 0.00 0.00 32.46 32.34 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 -2.61 0.00 -2.44 2.89 0.00 -1.26 -1.50 120.51 115.59 1klv n ALA 72 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.41 1klv n ALA 72 Cb 0.10 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.56 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 0.51 -0.38 0.00 -0.00 -1.26 -5.12 120.64 114.39 1klv n GLU 73 Ca 0.00 -1.88 -0.27 0.00 -0.00 0.00 0.00 57.16 55.01 1klv n GLU 73 Cb 0.00 -0.09 0.24 0.00 -0.00 0.00 0.00 31.44 31.59 1klv n GLU 73 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1klv n ASP 74 N -0.13 -3.33 -4.71 -1.84 2.03 -0.56 -4.98 116.55 103.02 1klv n ASP 74 Ca -0.07 -0.57 -0.35 0.00 0.52 0.00 0.00 54.79 54.32 1klv n ASP 74 Cb 0.92 -0.99 -0.09 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 -2.16 3.41 -0.06 -1.67 0.00 -1.26 -4.98 121.76 115.03 1klv s ALA 75 Ca 0.59 -0.77 -0.29 0.00 0.00 0.00 0.00 51.96 51.49 1klv s ALA 75 Cb -0.13 -1.62 0.10 0.00 0.00 0.00 0.00 23.12 21.46 1klv s ALA 75 CO 0.54 0.55 0.82 -1.17 0.00 0.00 0.00 175.76 176.49 1klv s LEU 76 N -0.76 -0.49 -0.28 0.00 2.96 -1.26 -4.37 118.68 114.48 1klv s LEU 76 Ca 0.12 0.40 -0.11 0.00 -0.22 0.00 0.00 54.13 54.33 1klv s LEU 76 Cb -0.12 2.21 0.11 0.00 0.50 0.00 0.00 46.19 48.90 1klv s LEU 76 CO 0.02 -0.56 0.62 -0.36 -1.32 0.00 0.00 176.35 174.76 1klv s PHE 77 N -1.78 -1.21 -0.01 5.38 0.08 -0.73 -4.96 117.98 114.74 1klv s PHE 77 Ca -0.04 2.18 -0.24 0.00 0.12 0.00 0.00 56.93 58.95 1klv s PHE 77 Cb -0.00 0.71 -0.05 0.00 -0.57 0.00 0.00 43.02 43.11 1klv s PHE 77 CO 0.01 -0.61 0.74 -0.06 -0.10 0.00 0.00 175.22 175.19 1klv s PHE 78 N 2.60 3.66 -0.17 0.36 0.08 -1.26 -2.50 117.98 120.74 1klv s PHE 78 Ca -0.06 1.37 0.01 0.00 0.12 0.00 0.00 56.93 58.36 1klv s PHE 78 Cb -0.11 -2.81 0.02 0.00 -0.57 0.00 0.00 43.02 39.55 1klv s PHE 78 CO -0.18 0.18 -0.20 -0.06 -0.10 0.00 0.00 175.22 174.86 1klv s PHE 79 N 0.37 2.76 -0.15 0.36 0.08 -0.40 -4.72 117.98 116.28 1klv s PHE 79 Ca 0.38 -1.52 0.02 0.00 0.12 0.00 0.00 56.93 55.94 1klv s PHE 79 Cb -0.19 -1.90 0.01 0.00 -0.57 0.00 0.00 43.02 40.37 1klv s PHE 79 CO 0.21 -0.73 -0.21 0.08 -0.10 0.00 0.00 175.22 174.47 1klv s VAL 80 N 1.16 1.99 -1.24 -0.44 1.01 -0.98 -2.60 120.40 119.30 1klv s VAL 80 Ca 0.02 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 1klv s VAL 80 Cb -0.14 -1.78 0.05 0.00 0.00 0.00 0.00 36.38 34.52 1klv s VAL 80 CO -0.09 0.53 0.41 -3.20 0.00 0.00 0.00 175.10 172.75 1klv n ASN 81 N 4.26 -3.86 -2.27 3.32 5.15 -1.26 -0.08 115.26 120.51 1klv n ASN 81 Ca -0.20 -0.27 -0.15 0.00 -0.60 0.00 0.00 54.58 53.35 1klv n ASN 81 Cb 0.51 -3.21 0.04 0.00 -0.53 0.00 0.00 39.78 36.59 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 -2.22 -4.70 -4.29 1.20 2.85 -1.26 -5.02 115.26 101.82 1klv n ASN 82 Ca -0.04 -0.26 -0.16 0.00 -0.11 0.00 0.00 54.58 54.01 1klv n ASN 82 Cb 0.56 -3.44 -0.10 0.00 1.24 0.00 0.00 39.78 38.03 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 0.45 -0.47 3.44 1.01 0.88 -5.11 120.40 117.53 1klv s VAL 83 Ca 0.28 -2.00 0.06 0.00 0.00 0.00 0.00 61.98 60.33 1klv s VAL 83 Cb -0.12 -2.61 0.22 0.00 0.00 0.00 0.00 36.38 33.87 1klv s VAL 83 CO 0.35 -0.00 0.73 -0.38 0.00 0.00 0.00 175.10 175.80 1klv n ILE 84 N -0.43 -0.24 -1.78 2.22 -0.00 -1.26 -2.31 119.36 115.56 1klv n ILE 84 Ca 0.00 -1.97 -0.33 0.00 -0.00 0.00 0.00 62.75 60.45 1klv n ILE 84 Cb 0.66 0.48 0.04 0.00 -0.00 0.00 0.00 39.64 40.82 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 0.37 2.92 1.02 0.38 0.04 -1.26 -5.04 135.00 133.42 1klv s PRO 85 Ca 0.32 1.28 -0.17 0.00 0.04 0.00 0.00 61.00 62.47 1klv s PRO 85 Cb 0.14 -1.97 0.25 0.00 0.04 0.00 0.00 34.50 32.96 1klv s PRO 85 CO -0.17 -1.14 1.03 -0.35 0.04 0.00 0.00 177.00 176.41 1klv n PRO 86 N -2.46 -2.40 -0.25 0.56 -0.04 -1.26 -4.91 135.00 124.24 1klv n PRO 86 Ca 0.10 -1.62 0.02 0.00 -0.04 0.00 0.00 63.50 61.95 1klv n PRO 86 Cb 0.52 -1.38 0.12 0.00 -0.04 0.00 0.00 33.50 32.72 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 -4.32 0.76 -0.34 0.52 -2.24 -1.26 -4.12 114.28 103.28 1klv n THR 87 Ca 0.14 -0.41 -0.14 0.00 -2.27 0.00 0.00 64.05 61.37 1klv n THR 87 Cb 0.52 -0.34 0.08 0.00 -2.10 0.00 0.00 70.33 68.48 1klv n THR 87 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1klv n SER 88 N 0.19 4.18 -1.89 3.42 7.64 -1.26 -4.45 113.62 121.44 1klv n SER 88 Ca 0.08 -2.90 -0.07 0.00 1.01 0.00 0.00 58.87 56.99 1klv n SER 88 Cb 0.49 -0.77 -0.02 0.00 -1.01 0.00 0.00 64.21 62.90 1klv n SER 88 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1klv n ALA 89 N -0.20 -0.03 -2.96 -0.43 0.00 -1.26 -5.07 120.51 110.56 1klv n ALA 89 Ca 0.31 -0.74 -0.10 0.00 0.00 0.00 0.00 53.44 52.92 1klv n ALA 89 Cb 0.98 0.60 -0.11 0.00 0.00 0.00 0.00 19.45 20.92 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 -2.59 0.17 0.27 0.00 -4.23 -1.26 -2.23 115.64 105.78 1klv s THR 90 Ca 0.14 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 1klv s THR 90 Cb -0.00 -0.31 0.27 0.00 1.34 0.00 0.00 72.50 73.79 1klv s THR 90 CO 0.10 -0.48 1.70 0.24 -0.54 0.00 0.00 174.62 175.64 1klv h MET 91 N 4.64 0.36 -0.87 3.99 2.86 -1.11 0.12 114.93 124.91 1klv h MET 91 Ca -0.33 -0.02 0.23 0.00 -2.06 0.00 0.00 59.70 57.52 1klv h MET 91 Cb 1.21 -0.08 -0.14 0.00 0.06 0.00 0.00 31.60 32.65 1klv h MET 91 CO 0.41 0.24 0.26 0.78 1.06 0.00 0.00 176.91 179.66 1klv h GLY 92 N 0.37 1.38 0.83 8.32 0.00 -0.79 0.22 103.07 113.40 1klv h GLY 92 Ca 0.50 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.74 1klv h GLY 92 CO -0.51 -0.35 0.02 1.46 0.00 0.00 0.00 176.54 177.16 1klv h GLN 93 N 0.24 0.33 -0.11 4.80 4.20 -0.92 -2.36 115.11 121.30 1klv h GLN 93 Ca 0.55 -0.10 0.03 0.00 0.06 0.00 0.00 58.65 59.19 1klv h GLN 93 Cb 1.09 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.83 1klv h GLN 93 CO -0.62 0.51 0.18 1.37 -0.67 0.00 0.00 178.83 179.59 1klv h LEU 94 N 0.11 0.00 -0.27 1.46 8.10 -0.39 -2.67 115.31 121.66 1klv h LEU 94 Ca 0.06 0.00 0.06 0.00 0.11 0.00 0.00 57.88 58.11 1klv h LEU 94 Cb 0.34 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.48 1klv h LEU 94 CO 0.01 0.00 -0.39 0.22 -4.11 0.00 0.00 178.44 174.17 1klv h TYR 95 N 0.00 -1.11 0.00 0.17 3.20 -0.60 0.24 116.97 118.87 1klv h TYR 95 Ca 0.05 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1klv h TYR 95 Cb 0.41 0.53 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1klv h TYR 95 CO 0.00 -0.44 0.00 0.37 -1.64 0.00 0.00 178.16 176.45 1klv h GLN 96 N -0.38 0.00 0.00 1.82 4.15 -1.64 -3.04 115.11 116.02 1klv h GLN 96 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1klv h GLN 96 Cb 0.58 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.27 1klv h GLN 96 CO -0.48 0.00 -0.16 0.93 -1.93 0.00 0.00 178.83 177.20 1klv h GLU 97 N 0.00 0.00 -1.20 1.69 5.08 -0.65 -3.40 114.58 116.10 1klv h GLU 97 Ca 0.00 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.71 1klv h GLU 97 Cb 0.46 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.44 1klv h GLU 97 CO 0.00 0.00 0.85 0.72 -1.00 0.00 0.00 179.01 179.58 1klv n HIS 98 N -3.29 3.01 0.29 4.33 8.25 0.12 -4.53 115.22 123.39 1klv n HIS 98 Ca -0.02 -2.82 0.19 0.00 -0.26 0.00 0.00 57.72 54.80 1klv n HIS 98 Cb 0.08 -1.37 0.80 0.00 1.12 0.00 0.00 29.99 30.62 1klv n HIS 98 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 1klv h HIS 99 N 2.10 0.00 0.00 4.41 2.07 -1.67 -2.79 115.15 119.26 1klv h HIS 99 Ca 0.57 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.09 1klv h HIS 99 Cb 0.72 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.70 1klv h HIS 99 CO 1.34 0.00 0.00 -1.91 -3.07 0.00 0.00 177.93 174.29 1klv n GLU 100 N -3.09 0.00 -2.50 5.12 0.00 -1.26 -3.45 120.64 115.46 1klv n GLU 100 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.12 1klv n GLU 100 Cb 0.26 0.00 0.08 0.00 0.00 0.00 0.00 31.44 31.77 1klv n GLU 100 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1klv n GLU 101 N 0.00 0.85 0.00 5.31 2.13 -1.26 -5.13 120.64 122.54 1klv n GLU 101 Ca 0.00 -1.13 0.00 0.00 0.66 0.00 0.00 57.16 56.69 1klv n GLU 101 Cb 0.00 0.11 0.00 0.00 0.27 0.00 0.00 31.44 31.82 1klv n GLU 101 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1klv n ASP 102 N -0.78 0.00 -0.08 4.31 -0.08 -1.22 -5.06 116.55 113.64 1klv n ASP 102 Ca -0.12 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.06 1klv n ASP 102 Cb 0.76 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 44.19 1klv n ASP 102 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1klv n PHE 103 N 0.32 0.58 -0.63 -0.67 3.72 -1.26 -4.90 117.46 114.62 1klv n PHE 103 Ca 0.00 0.25 -0.31 0.00 -0.05 0.00 0.00 57.45 57.34 1klv n PHE 103 Cb 0.00 -0.73 0.19 0.00 -0.94 0.00 0.00 39.48 38.00 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 -4.52 -1.18 -4.61 1.38 1.16 -1.26 -4.88 117.46 103.55 1klv n PHE 104 Ca -0.15 0.08 -0.28 0.00 -1.87 0.00 0.00 57.45 55.24 1klv n PHE 104 Cb 0.43 -1.68 -0.10 0.00 -1.61 0.00 0.00 39.48 36.52 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 -3.59 2.63 -0.12 5.98 0.05 -1.08 -4.58 118.68 117.97 1klv s LEU 105 Ca 0.61 -1.43 0.02 0.00 0.05 0.00 0.00 54.13 53.39 1klv s LEU 105 Cb -0.19 -0.76 0.01 0.00 -2.05 0.00 0.00 46.19 43.21 1klv s LEU 105 CO 0.65 -0.56 -0.19 -0.31 -0.55 0.00 0.00 176.35 175.39 1klv s TYR 106 N -2.85 2.30 -0.01 3.48 1.51 -1.05 -0.89 117.35 119.83 1klv s TYR 106 Ca 0.30 -1.08 0.00 0.00 -1.01 0.00 0.00 57.07 55.28 1klv s TYR 106 Cb 0.08 -1.60 0.01 0.00 -0.11 0.00 0.00 41.96 40.35 1klv s TYR 106 CO 0.15 -0.51 -0.00 0.42 -1.11 0.00 0.00 175.55 174.50 1klv s ILE 107 N 0.80 0.11 0.34 2.71 1.01 -0.88 -4.35 121.20 120.94 1klv s ILE 107 Ca -0.09 0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.60 1klv s ILE 107 Cb -0.16 -0.14 -0.05 0.00 0.01 0.00 0.00 42.46 42.13 1klv s ILE 107 CO 0.00 0.07 0.10 0.00 0.00 0.00 0.00 174.94 175.11 1klv s ALA 108 N 0.37 2.39 0.18 9.38 0.00 -1.07 -1.90 121.76 131.11 1klv s ALA 108 Ca -0.03 -1.72 -0.12 0.00 0.00 0.00 0.00 51.96 50.09 1klv s ALA 108 Cb -0.05 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.89 1klv s ALA 108 CO -0.01 -0.37 0.38 1.52 0.00 0.00 0.00 175.76 177.28 1klv s TYR 109 N -3.39 0.21 0.31 0.00 1.13 -0.86 -1.27 117.35 113.48 1klv s TYR 109 Ca 0.32 -0.57 -0.03 0.00 -1.41 0.00 0.00 57.07 55.38 1klv s TYR 109 Cb 0.06 0.12 0.01 0.00 -1.10 0.00 0.00 41.96 41.05 1klv s TYR 109 CO 0.15 -0.81 0.46 0.45 -2.51 0.00 0.00 175.55 173.30 1klv n SER 110 N -0.27 -1.30 -0.98 -0.18 2.88 -1.04 -2.22 113.62 110.50 1klv n SER 110 Ca -0.08 -2.58 0.05 0.00 -1.33 0.00 0.00 58.87 54.93 1klv n SER 110 Cb 0.63 2.37 0.13 0.00 -0.75 0.00 0.00 64.21 66.58 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 -1.65 1.41 -3.78 -3.46 5.75 -1.26 -1.78 116.55 111.78 1klv n ASP 111 Ca -0.01 -3.10 -0.13 0.00 -0.01 0.00 0.00 54.79 51.55 1klv n ASP 111 Cb 0.50 -0.43 -0.09 0.00 -1.03 0.00 0.00 41.12 40.07 1klv n ASP 111 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1klv s GLU 112 N -1.86 0.56 -0.05 0.11 2.02 -1.26 -4.72 118.70 113.50 1klv s GLU 112 Ca 0.36 -0.07 0.07 0.00 0.02 0.00 0.00 54.97 55.35 1klv s GLU 112 Cb 0.38 0.25 0.11 0.00 0.10 0.00 0.00 34.13 34.96 1klv s GLU 112 CO -0.11 -0.14 1.03 -1.13 0.02 0.00 0.00 175.26 174.94 1klv n SER 113 N 1.72 0.91 -4.92 -0.19 3.41 -1.26 -4.98 113.62 108.31 1klv n SER 113 Ca -0.20 -2.36 -0.21 0.00 -0.26 0.00 0.00 58.87 55.85 1klv n SER 113 Cb 0.56 -0.27 -0.01 0.00 -0.26 0.00 0.00 64.21 64.23 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 -1.08 2.51 0.89 -3.33 0.11 -1.26 -5.12 120.40 113.12 1klv s VAL 114 Ca 0.12 -1.26 -0.12 0.00 -2.93 0.00 0.00 61.98 57.78 1klv s VAL 114 Cb 0.10 -2.77 0.17 0.00 -1.53 0.00 0.00 36.38 32.36 1klv s VAL 114 CO 0.01 0.00 1.24 -0.47 -3.33 0.00 0.00 175.10 172.55 1klv s TYR 115 N -2.52 1.74 0.00 1.54 5.04 -1.26 -4.86 117.35 117.03 1klv s TYR 115 Ca 0.49 0.24 0.00 0.00 -2.44 0.00 0.00 57.07 55.36 1klv s TYR 115 Cb -0.05 -3.82 0.00 0.00 0.35 0.00 0.00 41.96 38.44 1klv s TYR 115 CO 0.29 -2.36 0.00 0.41 -1.34 0.00 0.00 175.55 172.55 1klv n GLY 116 N -3.52 1.62 0.94 8.97 0.00 -1.26 -5.24 105.19 106.69 1klv n GLY 116 Ca 0.14 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.94 1klv n GLY 116 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79