#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 0.10 0.12 1.61 4.81 -2.01 0.46 114.58 119.66 1klv h GLU 19 Ca 0.00 -0.01 -0.29 0.00 -0.13 0.00 0.00 59.36 58.93 1klv h GLU 19 Cb 0.00 -0.02 0.03 0.00 0.63 0.00 0.00 28.75 29.38 1klv h GLU 19 CO 0.00 0.06 -1.23 -0.22 -0.73 0.00 0.00 179.01 176.89 1klv h LYS 20 N 0.10 0.58 0.00 1.92 3.64 -2.01 -3.13 116.57 117.67 1klv h LYS 20 Ca 0.66 -0.78 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1klv h LYS 20 Cb 2.36 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 34.43 1klv h LYS 20 CO -0.13 1.35 0.01 -0.89 -2.27 0.00 0.00 179.45 177.52 1klv n ILE 21 N -3.76 1.18 -0.09 2.00 2.08 0.16 -2.21 119.36 118.72 1klv n ILE 21 Ca -0.13 0.70 -0.15 0.00 0.56 0.00 0.00 62.75 63.73 1klv n ILE 21 Cb 0.98 -1.70 -0.09 0.00 -0.75 0.00 0.00 39.64 38.08 1klv n ILE 21 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 1klv h ARG 22 N 0.00 0.00 -0.80 0.38 1.12 -1.43 -0.76 114.38 112.90 1klv h ARG 22 Ca 0.00 0.00 0.16 0.00 -1.11 0.00 0.00 59.98 59.03 1klv h ARG 22 Cb 0.03 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 29.93 1klv h ARG 22 CO 0.00 0.74 0.53 0.87 -3.11 0.00 0.00 179.97 179.00 1klv h LYS 23 N -1.00 0.42 0.04 0.20 1.57 -1.47 0.48 116.57 116.81 1klv h LYS 23 Ca -0.18 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.41 1klv h LYS 23 Cb 0.99 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 1klv h LYS 23 CO -0.11 0.28 -0.83 0.87 -0.57 0.00 0.00 179.45 179.08 1klv h LYS 24 N 0.43 0.09 -2.10 3.15 1.57 -1.57 -3.38 116.57 114.75 1klv h LYS 24 Ca 0.40 -0.15 -0.69 0.00 -1.87 0.00 0.00 60.65 58.33 1klv h LYS 24 Cb 0.92 0.06 -0.34 0.00 0.08 0.00 0.00 32.23 32.94 1klv h LYS 24 CO -0.14 1.07 0.19 0.66 -0.57 0.00 0.00 179.45 180.67 1klv n TYR 25 N -4.33 3.35 0.62 -1.35 4.01 -0.29 -4.75 117.16 114.42 1klv n TYR 25 Ca -0.21 -3.09 0.09 0.00 -0.16 0.00 0.00 57.90 54.52 1klv n TYR 25 Cb 0.68 -0.78 0.38 0.00 -0.31 0.00 0.00 39.34 39.32 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 -0.27 0.00 -0.12 -0.72 -0.04 0.16 -2.58 135.00 131.44 1klv n PRO 26 Ca 0.41 0.19 0.12 0.00 -0.04 0.00 0.00 63.50 64.18 1klv n PRO 26 Cb 0.36 -1.50 0.17 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 -1.50 3.25 -2.29 3.54 2.03 -1.26 -4.99 116.55 115.31 1klv n ASP 27 Ca 0.04 -1.97 -0.10 0.00 0.52 0.00 0.00 54.79 53.28 1klv n ASP 27 Cb 0.21 -0.15 -0.03 0.00 -0.72 0.00 0.00 41.12 40.43 1klv n ASP 27 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1klv n ARG 28 N 1.40 0.37 -5.21 -0.67 1.85 -1.06 -4.51 116.66 108.82 1klv n ARG 28 Ca 0.17 -1.86 -0.32 0.00 -1.00 0.00 0.00 57.85 54.84 1klv n ARG 28 Cb 0.59 1.68 -0.16 0.00 -1.05 0.00 0.00 32.46 33.52 1klv n ARG 28 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1klv s VAL 29 N -2.73 2.17 -0.42 8.89 1.01 -0.36 -4.79 120.40 124.16 1klv s VAL 29 Ca 0.21 -1.02 -0.28 0.00 0.00 0.00 0.00 61.98 60.89 1klv s VAL 29 Cb 0.00 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.60 1klv s VAL 29 CO 0.15 0.57 1.07 -2.16 0.00 0.00 0.00 175.10 174.72 1klv s PRO 30 N -0.08 3.82 -0.24 2.72 0.04 -1.26 -2.74 135.00 137.26 1klv s PRO 30 Ca -0.06 0.67 -0.10 0.00 0.04 0.00 0.00 61.00 61.54 1klv s PRO 30 Cb -0.14 -3.85 -0.05 0.00 0.04 0.00 0.00 34.50 30.50 1klv s PRO 30 CO 0.05 -1.17 0.16 0.08 0.04 0.00 0.00 177.00 176.16 1klv s VAL 31 N 4.01 5.34 0.16 -0.36 1.01 -0.05 -2.74 120.40 127.77 1klv s VAL 31 Ca 0.45 0.17 -0.11 0.00 0.00 0.00 0.00 61.98 62.49 1klv s VAL 31 Cb -0.10 -3.49 -0.07 0.00 0.00 0.00 0.00 36.38 32.73 1klv s VAL 31 CO 0.25 0.35 0.51 -0.63 0.00 0.00 0.00 175.10 175.58 1klv s ILE 32 N 1.05 4.95 0.02 2.22 -1.09 -0.56 -0.81 121.20 126.98 1klv s ILE 32 Ca 0.07 0.58 0.04 0.00 -2.23 0.00 0.00 60.65 59.12 1klv s ILE 32 Cb -0.13 -3.67 -0.02 0.00 -1.58 0.00 0.00 42.46 37.06 1klv s ILE 32 CO 0.04 0.12 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.06 1klv s VAL 33 N -1.60 1.02 0.23 2.92 1.01 -0.70 -2.09 120.40 121.20 1klv s VAL 33 Ca 0.41 -0.83 -0.18 0.00 0.00 0.00 0.00 61.98 61.38 1klv s VAL 33 Cb -0.13 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.36 1klv s VAL 33 CO 0.20 0.08 0.58 -0.70 0.00 0.00 0.00 175.10 175.26 1klv s GLU 34 N -0.86 1.54 0.36 2.72 2.12 -0.72 -4.53 118.70 119.34 1klv s GLU 34 Ca 0.02 -0.96 0.03 0.00 0.36 0.00 0.00 54.97 54.42 1klv s GLU 34 Cb -0.07 0.54 -0.01 0.00 0.26 0.00 0.00 34.13 34.85 1klv s GLU 34 CO 0.01 -0.67 0.54 0.21 -0.54 0.00 0.00 175.26 174.80 1klv s LYS 35 N -3.91 3.20 0.54 4.30 2.47 -1.26 -2.10 119.74 122.98 1klv s LYS 35 Ca 0.12 -0.69 -0.09 0.00 -1.56 0.00 0.00 55.97 53.75 1klv s LYS 35 Cb -0.03 -2.72 0.14 0.00 -1.46 0.00 0.00 37.83 33.77 1klv s LYS 35 CO 0.02 0.01 0.41 0.00 0.16 0.00 0.00 175.35 175.95 1klv n ALA 36 N -1.78 -1.70 -2.34 3.13 0.00 -0.83 -4.78 120.51 112.20 1klv n ALA 36 Ca -0.02 -0.65 -0.43 0.00 0.00 0.00 0.00 53.44 52.35 1klv n ALA 36 Cb 0.57 -0.05 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 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 -3.95 3.99 -1.36 0.00 0.04 -1.26 -3.19 135.00 129.28 1klv s PRO 37 Ca 0.28 1.49 -0.08 0.00 0.04 0.00 0.00 61.00 62.73 1klv s PRO 37 Cb -0.04 -3.88 0.01 0.00 0.04 0.00 0.00 34.50 30.63 1klv s PRO 37 CO 0.22 -1.03 1.12 1.63 0.04 0.00 0.00 177.00 178.99 1klv n LYS 38 N 7.18 -7.62 -0.53 4.56 4.76 -1.26 -4.96 118.16 120.28 1klv n LYS 38 Ca 0.15 0.83 -0.29 0.00 -2.87 0.00 0.00 58.31 56.13 1klv n LYS 38 Cb 0.46 -5.83 0.27 0.00 -1.84 0.00 0.00 35.03 28.08 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 -3.30 -0.51 -0.05 7.82 0.00 -1.19 -5.00 121.76 119.52 1klv s ALA 39 Ca 0.56 -0.53 0.14 0.00 0.00 0.00 0.00 51.96 52.12 1klv s ALA 39 Cb -0.24 -3.07 0.25 0.00 0.00 0.00 0.00 23.12 20.06 1klv s ALA 39 CO 0.69 -4.16 1.13 2.89 0.00 0.00 0.00 175.76 176.30 1klv n ARG 40 N -5.22 0.27 -2.26 0.00 -4.01 -1.26 -5.03 116.66 99.15 1klv n ARG 40 Ca 0.08 -1.63 -0.27 0.00 -1.04 0.00 0.00 57.85 54.99 1klv n ARG 40 Cb 0.57 0.11 0.15 0.00 -3.04 0.00 0.00 32.46 30.26 1klv n ARG 40 CO 0.00 0.00 0.00 0.96 -3.04 0.00 0.00 177.63 175.55 1klv s ILE 41 N -0.31 2.06 0.66 8.89 -5.25 -1.26 -5.03 121.20 120.96 1klv s ILE 41 Ca 0.17 -0.29 -0.08 0.00 -0.99 0.00 0.00 60.65 59.45 1klv s ILE 41 Cb 0.22 -2.77 0.12 0.00 2.95 0.00 0.00 42.46 42.99 1klv s ILE 41 CO -0.08 0.00 0.28 0.61 -1.79 0.00 0.00 174.94 173.95 1klv n GLY 42 N -3.31 -1.78 2.85 6.27 0.00 -1.09 -4.99 105.19 103.14 1klv n GLY 42 Ca 0.15 -0.58 -0.19 0.00 0.00 0.00 0.00 46.02 45.40 1klv n GLY 42 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1klv n ASP 43 N -1.15 0.61 -3.78 1.61 2.03 -1.26 -4.88 116.55 109.73 1klv n ASP 43 Ca 0.04 -1.64 -0.13 0.00 0.52 0.00 0.00 54.79 53.59 1klv n ASP 43 Cb 0.19 -0.59 -0.09 0.00 -0.72 0.00 0.00 41.12 39.91 1klv n ASP 43 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1klv s LEU 44 N 0.00 0.95 0.05 -2.67 0.20 -1.26 -4.16 118.68 111.79 1klv s LEU 44 Ca 0.52 0.17 0.13 0.00 0.69 0.00 0.00 54.13 55.63 1klv s LEU 44 Cb -0.02 1.13 -0.17 0.00 -0.43 0.00 0.00 46.19 46.69 1klv s LEU 44 CO 0.35 -0.35 0.92 0.44 -0.29 0.00 0.00 176.35 177.42 1klv h ASP 45 N 4.36 0.00 -5.06 3.68 5.19 -2.00 -3.48 116.42 119.12 1klv h ASP 45 Ca -0.29 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.05 1klv h ASP 45 Cb 1.18 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.54 1klv h ASP 45 CO 0.38 0.84 -0.13 -0.54 -3.12 0.00 0.00 179.24 176.67 1klv s LYS 46 N -2.74 0.95 -0.34 3.56 3.01 -1.26 -5.06 119.74 117.85 1klv s LYS 46 Ca -0.02 -0.53 0.07 0.00 -1.01 0.00 0.00 55.97 54.47 1klv s LYS 46 Cb 0.09 0.42 0.45 0.00 -1.01 0.00 0.00 37.83 37.77 1klv s LYS 46 CO 0.81 -0.34 1.16 1.63 0.51 0.00 0.00 175.35 179.12 1klv n LYS 47 N 0.24 3.48 -3.20 1.68 4.76 -1.26 -4.95 118.16 118.91 1klv n LYS 47 Ca -0.17 -4.27 0.01 0.00 -2.87 0.00 0.00 58.31 51.00 1klv n LYS 47 Cb 0.61 -2.24 -0.03 0.00 -1.84 0.00 0.00 35.03 31.53 1klv n LYS 47 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1klv s LYS 48 N -3.58 0.52 0.03 1.97 -2.85 -1.26 -1.72 119.74 112.85 1klv s LYS 48 Ca 0.49 0.89 0.01 0.00 -1.00 0.00 0.00 55.97 56.36 1klv s LYS 48 Cb 0.41 0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 36.44 1klv s LYS 48 CO -0.05 -0.64 0.09 0.71 0.10 0.00 0.00 175.35 175.57 1klv s TYR 49 N 2.79 3.28 -0.23 1.78 1.51 0.01 -4.95 117.35 121.54 1klv s TYR 49 Ca 0.19 0.17 0.02 0.00 -1.01 0.00 0.00 57.07 56.44 1klv s TYR 49 Cb -0.15 -1.70 0.04 0.00 -0.11 0.00 0.00 41.96 40.04 1klv s TYR 49 CO -0.20 0.55 -0.15 -0.51 -1.11 0.00 0.00 175.55 174.13 1klv s LEU 50 N -2.04 2.88 0.13 -1.29 1.02 -1.26 -0.87 118.68 117.26 1klv s LEU 50 Ca 0.26 -1.08 -0.02 0.00 0.02 0.00 0.00 54.13 53.31 1klv s LEU 50 Cb -0.12 -1.51 -0.04 0.00 0.02 0.00 0.00 46.19 44.54 1klv s LEU 50 CO 0.18 -0.11 0.09 0.68 0.02 0.00 0.00 176.35 177.20 1klv s VAL 51 N 1.18 0.10 0.50 -1.59 -7.23 -1.11 -4.99 120.40 107.27 1klv s VAL 51 Ca -0.03 -1.84 -0.21 0.00 -1.81 0.00 0.00 61.98 58.08 1klv s VAL 51 Cb -0.17 -2.02 -0.07 0.00 0.56 0.00 0.00 36.38 34.69 1klv s VAL 51 CO -0.08 -0.45 1.16 -2.16 -0.31 0.00 0.00 175.10 173.26 1klv s PRO 52 N -4.04 3.55 0.17 4.82 0.04 -1.26 -1.23 135.00 137.05 1klv s PRO 52 Ca 0.23 1.73 0.16 0.00 0.04 0.00 0.00 61.00 63.16 1klv s PRO 52 Cb 0.07 -2.23 0.75 0.00 0.04 0.00 0.00 34.50 33.14 1klv s PRO 52 CO 0.01 -0.72 1.50 0.43 0.04 0.00 0.00 177.00 178.27 1klv n SER 53 N -0.87 0.36 -0.09 6.66 7.64 -1.26 -1.85 113.62 124.21 1klv n SER 53 Ca 0.09 0.62 0.14 0.00 1.01 0.00 0.00 58.87 60.74 1klv n SER 53 Cb 0.49 -0.68 0.61 0.00 -1.01 0.00 0.00 64.21 63.61 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 -1.93 0.39 -4.77 6.43 -0.08 -1.26 -0.31 116.55 115.01 1klv n ASP 54 Ca 0.01 -0.44 -0.40 0.00 -1.51 0.00 0.00 54.79 52.45 1klv n ASP 54 Cb 0.12 -0.11 0.00 0.00 2.34 0.00 0.00 41.12 43.48 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 -2.55 4.23 0.38 -2.67 1.43 -0.77 -4.84 118.68 113.89 1klv s LEU 55 Ca 0.27 2.91 -0.02 0.00 -1.03 0.00 0.00 54.13 56.26 1klv s LEU 55 Cb 0.20 -3.81 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 1klv s LEU 55 CO 0.49 -0.96 0.62 0.42 0.23 0.00 0.00 176.35 177.15 1klv s THR 56 N -1.18 5.04 0.57 5.49 -4.23 -1.26 -0.88 115.64 119.20 1klv s THR 56 Ca 0.56 -0.22 0.26 0.00 -1.18 0.00 0.00 61.69 61.11 1klv s THR 56 Cb -0.43 -3.85 0.34 0.00 1.34 0.00 0.00 72.50 69.90 1klv s THR 56 CO 0.57 -0.63 2.16 0.58 -0.54 0.00 0.00 174.62 176.77 1klv h VAL 57 N 0.64 0.61 -0.05 2.29 2.07 -1.65 0.36 116.25 120.53 1klv h VAL 57 Ca -0.49 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 66.91 1klv h VAL 57 Cb 1.21 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1klv h VAL 57 CO 0.62 0.00 -0.53 1.23 0.02 0.00 0.00 177.57 178.91 1klv h GLY 58 N 0.00 0.15 0.53 2.17 0.00 -1.86 -2.20 103.07 101.86 1klv h GLY 58 Ca 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1klv h GLY 58 CO -0.00 0.15 -0.03 1.46 0.00 0.00 0.00 176.54 178.12 1klv h GLN 59 N 0.11 -0.08 -0.36 4.80 1.08 -1.30 -3.00 115.11 116.36 1klv h GLN 59 Ca 0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1klv h GLN 59 Cb 0.97 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.40 1klv h GLN 59 CO 0.08 0.36 0.24 0.35 -0.95 0.00 0.00 178.83 178.91 1klv h PHE 60 N -0.55 0.45 -0.73 2.96 3.57 -1.50 -0.70 116.94 120.44 1klv h PHE 60 Ca -0.01 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.62 1klv h PHE 60 Cb 0.48 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 1klv h PHE 60 CO 0.08 0.28 0.48 -0.92 -2.23 0.00 0.00 178.31 176.01 1klv h TYR 61 N 0.49 0.60 0.00 0.41 5.03 -1.26 -2.79 116.97 119.45 1klv h TYR 61 Ca 0.13 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.46 1klv h TYR 61 Cb -0.05 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.03 1klv h TYR 61 CO -0.00 0.27 -0.00 0.35 -1.32 0.00 0.00 178.16 177.46 1klv h PHE 62 N 0.55 -0.00 -1.00 -3.82 3.04 -1.04 -2.66 116.94 112.02 1klv h PHE 62 Ca 0.35 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.33 1klv h PHE 62 Cb 0.60 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 39.05 1klv h PHE 62 CO -0.00 0.99 0.65 1.37 -2.02 0.00 0.00 178.31 179.30 1klv h LEU 63 N -0.99 1.09 0.01 0.59 8.10 -1.34 -2.54 115.31 120.23 1klv h LEU 63 Ca -0.00 -0.01 -0.19 0.00 0.11 0.00 0.00 57.88 57.79 1klv h LEU 63 Cb 0.99 -0.25 0.02 0.00 -0.44 0.00 0.00 40.66 40.97 1klv h LEU 63 CO 0.00 0.74 -0.75 0.40 -4.11 0.00 0.00 178.44 174.72 1klv h ILE 64 N 1.26 1.38 -0.67 0.15 2.04 -1.65 -3.05 117.51 116.97 1klv h ILE 64 Ca 0.40 -2.16 0.06 0.00 1.00 0.00 0.00 64.86 64.16 1klv h ILE 64 Cb 0.01 2.57 -0.08 0.00 -0.74 0.00 0.00 36.82 38.57 1klv h ILE 64 CO -0.12 0.64 -0.40 0.54 0.00 0.00 0.00 178.15 178.81 1klv n ARG 65 N -4.10 -0.29 0.07 2.37 1.74 -0.97 0.15 116.66 115.62 1klv n ARG 65 Ca -0.11 1.14 -0.00 0.00 -0.77 0.00 0.00 57.85 58.11 1klv n ARG 65 Cb 0.75 -1.68 0.30 0.00 -1.02 0.00 0.00 32.46 30.81 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 0.34 0.00 5.56 6.56 -1.63 -1.16 116.57 126.25 1klv h LYS 66 Ca 0.11 -0.10 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1klv h LYS 66 Cb 0.27 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 1klv h LYS 66 CO -0.63 0.52 0.00 0.54 -2.06 0.00 0.00 179.45 177.82 1klv n ARG 67 N -4.20 0.01 -0.28 3.15 5.12 0.39 -1.58 116.66 119.27 1klv n ARG 67 Ca -0.00 0.26 0.12 0.00 -1.93 0.00 0.00 57.85 56.30 1klv n ARG 67 Cb 0.33 -1.52 0.27 0.00 -1.16 0.00 0.00 32.46 30.37 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 -1.55 0.75 -2.63 0.55 2.08 0.15 -4.16 119.36 114.54 1klv n ILE 68 Ca 0.03 -0.87 -0.18 0.00 0.56 0.00 0.00 62.75 62.29 1klv n ILE 68 Cb 0.17 0.75 -0.00 0.00 -0.75 0.00 0.00 39.64 39.81 1klv n ILE 68 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 1klv n HIS 69 N 1.57 -1.43 -4.17 1.39 8.25 -0.62 -2.68 115.22 117.52 1klv n HIS 69 Ca 0.22 0.14 -0.29 0.00 -0.26 0.00 0.00 57.72 57.52 1klv n HIS 69 Cb 0.61 -3.37 -0.09 0.00 1.12 0.00 0.00 29.99 28.26 1klv n HIS 69 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 1klv s LEU 70 N -6.00 3.28 0.00 2.41 0.05 -1.21 -4.78 118.68 112.44 1klv s LEU 70 Ca 0.10 -0.29 0.00 0.00 0.05 0.00 0.00 54.13 53.99 1klv s LEU 70 Cb -0.05 -2.03 0.00 0.00 -2.05 0.00 0.00 46.19 42.06 1klv s LEU 70 CO 0.12 0.16 0.00 -2.11 -0.55 0.00 0.00 176.35 173.97 1klv n ARG 71 N 0.52 0.00 0.00 1.48 1.85 -1.26 -4.61 116.66 114.65 1klv n ARG 71 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.73 1klv n ARG 71 Cb 0.52 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.93 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 -2.23 2.89 0.00 -1.26 -1.61 120.51 115.30 1klv n ALA 72 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1klv n ALA 72 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1klv n ALA 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1klv n GLU 73 N 0.00 0.04 -0.30 0.00 1.02 -1.26 -5.12 120.64 115.02 1klv n GLU 73 Ca 0.00 -1.45 -0.30 0.00 -0.02 0.00 0.00 57.16 55.39 1klv n GLU 73 Cb 0.00 0.26 0.29 0.00 -0.02 0.00 0.00 31.44 31.97 1klv n GLU 73 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1klv n ASP 74 N 0.18 -3.52 -4.77 1.62 -0.08 -0.63 -4.99 116.55 104.35 1klv n ASP 74 Ca -0.13 -0.67 -0.36 0.00 -1.51 0.00 0.00 54.79 52.12 1klv n ASP 74 Cb 0.89 -1.07 -0.08 0.00 2.34 0.00 0.00 41.12 43.20 1klv n ASP 74 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1klv s ALA 75 N -2.19 3.56 -0.05 -1.67 0.00 -1.26 -4.97 121.76 115.17 1klv s ALA 75 Ca 0.68 -0.73 -0.30 0.00 0.00 0.00 0.00 51.96 51.60 1klv s ALA 75 Cb -0.16 -1.71 0.08 0.00 0.00 0.00 0.00 23.12 21.32 1klv s ALA 75 CO 0.59 0.59 0.71 -1.17 0.00 0.00 0.00 175.76 176.48 1klv s LEU 76 N -0.92 -0.62 -0.30 0.00 2.96 -1.24 -4.30 118.68 114.26 1klv s LEU 76 Ca 0.14 0.64 -0.10 0.00 -0.22 0.00 0.00 54.13 54.58 1klv s LEU 76 Cb -0.12 2.47 0.13 0.00 0.50 0.00 0.00 46.19 49.17 1klv s LEU 76 CO 0.03 -0.60 0.66 -0.36 -1.32 0.00 0.00 176.35 174.76 1klv s PHE 77 N -1.35 -1.31 -0.38 5.38 0.08 0.33 -4.91 117.98 115.81 1klv s PHE 77 Ca -0.09 2.29 -0.21 0.00 0.12 0.00 0.00 56.93 59.04 1klv s PHE 77 Cb -0.00 0.79 0.01 0.00 -0.57 0.00 0.00 43.02 43.25 1klv s PHE 77 CO 0.08 -0.65 0.69 -0.06 -0.10 0.00 0.00 175.22 175.17 1klv s PHE 78 N 2.81 3.11 -0.12 0.36 0.08 -1.26 -1.79 117.98 121.18 1klv s PHE 78 Ca -0.06 0.32 -0.04 0.00 0.12 0.00 0.00 56.93 57.27 1klv s PHE 78 Cb -0.11 -3.28 -0.04 0.00 -0.57 0.00 0.00 43.02 39.02 1klv s PHE 78 CO -0.19 -0.72 0.04 -0.06 -0.10 0.00 0.00 175.22 174.19 1klv s PHE 79 N 2.87 3.26 -0.13 0.36 0.40 -0.02 -4.81 117.98 119.90 1klv s PHE 79 Ca 0.26 0.19 0.03 0.00 -0.60 0.00 0.00 56.93 56.81 1klv s PHE 79 Cb -0.14 -1.90 0.01 0.00 0.51 0.00 0.00 43.02 41.50 1klv s PHE 79 CO 0.17 0.40 -0.22 0.08 0.70 0.00 0.00 175.22 176.34 1klv s VAL 80 N -0.49 2.04 -1.64 -0.44 1.01 -0.79 -1.68 120.40 118.41 1klv s VAL 80 Ca 0.10 -0.98 -0.18 0.00 0.00 0.00 0.00 61.98 60.92 1klv s VAL 80 Cb -0.12 -1.80 0.16 0.00 0.00 0.00 0.00 36.38 34.62 1klv s VAL 80 CO 0.02 0.55 0.73 0.59 0.00 0.00 0.00 175.10 176.99 1klv n ASN 81 N 3.98 -3.22 -2.29 3.32 5.03 -1.24 0.27 115.26 121.11 1klv n ASN 81 Ca -0.20 -0.93 -0.15 0.00 0.87 0.00 0.00 54.58 54.18 1klv n ASN 81 Cb 0.52 -2.65 0.04 0.00 -1.02 0.00 0.00 39.78 36.67 1klv n ASN 81 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1klv n ASN 82 N -2.56 -4.65 -4.28 6.41 5.15 -1.26 -5.02 115.26 109.05 1klv n ASN 82 Ca 0.07 -0.29 -0.15 0.00 -0.60 0.00 0.00 54.58 53.62 1klv n ASN 82 Cb 0.49 -3.32 -0.10 0.00 -0.53 0.00 0.00 39.78 36.31 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 -3.12 0.49 -0.46 3.44 1.01 0.14 -5.10 120.40 116.80 1klv s VAL 83 Ca 0.31 -1.99 0.07 0.00 0.00 0.00 0.00 61.98 60.37 1klv s VAL 83 Cb -0.14 -2.48 0.25 0.00 0.00 0.00 0.00 36.38 34.01 1klv s VAL 83 CO 0.38 -0.13 0.80 -0.38 0.00 0.00 0.00 175.10 175.77 1klv n ILE 84 N -0.37 -0.19 -1.41 2.22 -0.00 -1.26 -1.88 119.36 116.47 1klv n ILE 84 Ca -0.01 -2.21 -0.29 0.00 -0.00 0.00 0.00 62.75 60.24 1klv n ILE 84 Cb 0.65 0.56 0.15 0.00 -0.00 0.00 0.00 39.64 41.01 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 0.78 1.16 0.38 0.04 -1.26 -5.05 135.00 131.19 1klv s PRO 85 Ca 0.33 0.32 -0.19 0.00 0.04 0.00 0.00 61.00 61.49 1klv s PRO 85 Cb 0.22 -1.79 0.28 0.00 0.04 0.00 0.00 34.50 33.24 1klv s PRO 85 CO -0.20 -2.45 1.19 -1.25 0.04 0.00 0.00 177.00 174.33 1klv s PRO 86 N -5.20 -0.91 -0.11 0.56 0.04 -1.26 -4.91 135.00 123.21 1klv s PRO 86 Ca 0.65 -0.30 0.05 0.00 0.04 0.00 0.00 61.00 61.44 1klv s PRO 86 Cb -0.16 -1.65 0.31 0.00 0.04 0.00 0.00 34.50 33.04 1klv s PRO 86 CO 0.55 -3.46 1.04 0.25 0.04 0.00 0.00 177.00 175.42 1klv n THR 87 N -4.54 1.20 -1.14 1.26 -2.24 -1.26 -4.24 114.28 103.32 1klv n THR 87 Ca 0.16 -0.57 -0.27 0.00 -2.27 0.00 0.00 64.05 61.09 1klv n THR 87 Cb 0.60 -0.48 0.07 0.00 -2.10 0.00 0.00 70.33 68.42 1klv n THR 87 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1klv n SER 88 N 0.18 7.09 -2.44 3.42 2.88 -1.26 -4.45 113.62 119.04 1klv n SER 88 Ca 0.13 -3.49 -0.11 0.00 -1.33 0.00 0.00 58.87 54.07 1klv n SER 88 Cb 0.67 -1.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.10 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 -0.42 0.00 -2.95 -1.46 0.00 -1.26 -5.06 120.51 109.37 1klv n ALA 89 Ca 0.49 -1.20 -0.10 0.00 0.00 0.00 0.00 53.44 52.64 1klv n ALA 89 Cb 0.65 0.97 -0.12 0.00 0.00 0.00 0.00 19.45 20.96 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 -2.77 0.13 0.27 0.00 -4.23 -1.26 -2.15 115.64 105.64 1klv s THR 90 Ca 0.23 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 1klv s THR 90 Cb -0.00 -0.25 0.26 0.00 1.34 0.00 0.00 72.50 73.85 1klv s THR 90 CO 0.16 -0.40 1.79 0.24 -0.54 0.00 0.00 174.62 175.86 1klv h MET 91 N 4.89 0.73 -0.52 3.99 0.00 -1.15 -1.23 114.93 121.64 1klv h MET 91 Ca -0.31 -0.04 0.10 0.00 0.00 0.00 0.00 59.70 59.45 1klv h MET 91 Cb 1.21 -0.17 -0.10 0.00 0.00 0.00 0.00 31.60 32.54 1klv h MET 91 CO 0.43 0.49 -0.13 0.78 0.00 0.00 0.00 176.91 178.47 1klv h GLY 92 N 0.76 0.36 2.00 8.32 0.00 -0.89 0.36 103.07 113.98 1klv h GLY 92 Ca 0.48 0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.95 1klv h GLY 92 CO -0.33 -0.20 -0.21 0.06 0.00 0.00 0.00 176.54 175.86 1klv h GLN 93 N -0.00 0.00 0.00 4.80 3.07 -1.40 -1.38 115.11 120.19 1klv h GLN 93 Ca 0.25 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.96 1klv h GLN 93 Cb 0.38 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.94 1klv h GLN 93 CO -0.54 0.21 -0.13 1.37 0.09 0.00 0.00 178.83 179.83 1klv h LEU 94 N 0.00 0.00 -0.19 0.06 8.10 0.12 -3.18 115.31 120.22 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 0.40 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.55 1klv h LEU 94 CO 0.03 0.13 -0.37 0.22 -4.11 0.00 0.00 178.44 174.34 1klv h TYR 95 N 0.00 -1.04 0.00 0.17 3.20 -0.34 0.37 116.97 119.33 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 0.52 0.49 0.00 0.00 1.54 0.00 0.00 36.73 39.27 1klv h TYR 95 CO 0.00 -0.43 0.00 1.96 -1.64 0.00 0.00 178.16 178.05 1klv h GLN 96 N -0.41 0.00 0.00 1.82 7.50 -1.72 -3.08 115.11 119.22 1klv h GLN 96 Ca 0.10 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.25 1klv h GLN 96 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.11 1klv h GLN 96 CO -0.42 0.00 0.00 0.39 -1.50 0.00 0.00 178.83 177.30 1klv n GLU 97 N -2.69 0.00 -1.33 1.46 1.02 0.10 -4.65 120.64 114.55 1klv n GLU 97 Ca 0.01 0.24 -0.33 0.00 -0.02 0.00 0.00 57.16 57.06 1klv n GLU 97 Cb 0.25 -0.70 0.09 0.00 -0.02 0.00 0.00 31.44 31.06 1klv n GLU 97 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1klv n HIS 98 N -1.99 3.18 1.42 -0.32 8.25 0.49 -4.48 115.22 121.78 1klv n HIS 98 Ca 0.00 -2.82 0.14 0.00 -0.26 0.00 0.00 57.72 54.78 1klv n HIS 98 Cb 0.00 -1.34 0.49 0.00 1.12 0.00 0.00 29.99 30.26 1klv n HIS 98 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1klv n HIS 99 N -0.95 0.00 -3.50 4.41 1.44 -1.16 -2.62 115.22 112.84 1klv n HIS 99 Ca 0.62 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 56.12 1klv n HIS 99 Cb 0.83 -0.05 0.08 0.00 0.12 0.00 0.00 29.99 30.97 1klv n HIS 99 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1klv n GLU 100 N -0.20 -7.26 -3.49 -1.40 2.13 -1.26 -3.57 120.64 105.60 1klv n GLU 100 Ca 0.16 0.80 -0.28 0.00 0.66 0.00 0.00 57.16 58.50 1klv n GLU 100 Cb 0.34 -5.74 0.02 0.00 0.27 0.00 0.00 31.44 26.33 1klv n GLU 100 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1klv n GLU 101 N -4.57 -1.82 0.00 5.31 2.13 -1.26 -4.90 120.64 115.53 1klv n GLU 101 Ca -0.08 1.31 0.00 0.00 0.66 0.00 0.00 57.16 59.05 1klv n GLU 101 Cb 0.59 -2.84 0.00 0.00 0.27 0.00 0.00 31.44 29.46 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 -1.09 0.00 -3.44 4.31 -0.08 -1.23 -5.06 116.55 109.96 1klv n ASP 102 Ca -0.13 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 52.88 1klv n ASP 102 Cb 0.65 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 44.03 1klv n ASP 102 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1klv n PHE 103 N 1.03 3.14 0.00 -0.67 1.16 -1.26 -5.02 117.46 115.84 1klv n PHE 103 Ca 0.00 -4.10 0.00 0.00 -1.87 0.00 0.00 57.45 51.48 1klv n PHE 103 Cb 0.00 -0.53 0.00 0.00 -1.61 0.00 0.00 39.48 37.34 1klv n PHE 103 CO 0.00 0.00 0.00 1.19 -1.87 0.00 0.00 176.76 176.08 1klv n PHE 104 N 1.04 0.00 -3.83 2.97 3.01 -1.26 -4.71 117.46 114.67 1klv n PHE 104 Ca 0.28 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.47 1klv n PHE 104 Cb 0.42 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.86 1klv n PHE 104 CO 0.00 0.00 0.00 -0.48 1.01 0.00 0.00 176.76 177.29 1klv s LEU 105 N 0.00 4.29 -0.17 4.37 0.05 -1.11 -4.43 118.68 121.69 1klv s LEU 105 Ca 0.00 0.29 0.01 0.00 0.05 0.00 0.00 54.13 54.48 1klv s LEU 105 Cb 0.00 -3.04 0.01 0.00 -2.05 0.00 0.00 46.19 41.12 1klv s LEU 105 CO 0.00 0.02 -0.19 -0.31 -0.55 0.00 0.00 176.35 175.32 1klv s TYR 106 N -1.77 2.76 0.02 3.48 2.02 -1.08 -1.50 117.35 121.27 1klv s TYR 106 Ca 0.36 -1.45 -0.00 0.00 -0.37 0.00 0.00 57.07 55.61 1klv s TYR 106 Cb -0.11 -1.90 -0.02 0.00 -0.40 0.00 0.00 41.96 39.53 1klv s TYR 106 CO 0.29 -0.70 -0.02 0.42 -1.57 0.00 0.00 175.55 173.97 1klv s ILE 107 N 1.11 0.10 0.33 2.71 1.01 -0.89 -3.64 121.20 121.93 1klv s ILE 107 Ca 0.00 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.84 1klv s ILE 107 Cb -0.14 -0.26 -0.02 0.00 0.01 0.00 0.00 42.46 42.06 1klv s ILE 107 CO -0.08 -0.46 0.35 0.00 0.00 0.00 0.00 174.94 174.75 1klv s ALA 108 N -1.37 1.40 0.13 9.38 0.00 -0.68 -1.75 121.76 128.86 1klv s ALA 108 Ca -0.15 -1.84 -0.05 0.00 0.00 0.00 0.00 51.96 49.92 1klv s ALA 108 Cb -0.09 1.35 -0.02 0.00 0.00 0.00 0.00 23.12 24.35 1klv s ALA 108 CO -0.01 -0.71 0.15 1.52 0.00 0.00 0.00 175.76 176.71 1klv s TYR 109 N -3.30 0.56 0.35 0.00 1.13 -0.89 -0.84 117.35 114.36 1klv s TYR 109 Ca 0.37 -0.96 -0.17 0.00 -1.41 0.00 0.00 57.07 54.89 1klv s TYR 109 Cb 0.01 -0.26 0.05 0.00 -1.10 0.00 0.00 41.96 40.66 1klv s TYR 109 CO 0.24 -0.58 0.77 0.45 -2.51 0.00 0.00 175.55 173.92 1klv s SER 110 N -2.98 -0.07 -0.33 -0.18 0.15 -0.74 -1.97 113.70 107.58 1klv s SER 110 Ca 0.17 -0.99 0.07 0.00 0.70 0.00 0.00 55.95 55.91 1klv s SER 110 Cb 0.06 0.82 0.50 0.00 -1.71 0.00 0.00 66.02 65.68 1klv s SER 110 CO -0.02 -1.59 1.49 -0.90 1.20 0.00 0.00 173.24 173.42 1klv n ASP 111 N -1.14 3.17 -3.65 5.45 5.75 -1.26 -0.51 116.55 124.36 1klv n ASP 111 Ca -0.07 -3.79 -0.03 0.00 -0.01 0.00 0.00 54.79 50.89 1klv n ASP 111 Cb 0.60 -0.63 -0.06 0.00 -1.03 0.00 0.00 41.12 39.99 1klv n ASP 111 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1klv s GLU 112 N -3.35 0.06 -0.03 0.11 -1.05 -1.26 -4.72 118.70 108.47 1klv s GLU 112 Ca 0.47 0.06 0.21 0.00 -0.15 0.00 0.00 54.97 55.56 1klv s GLU 112 Cb 0.42 0.03 -0.31 0.00 -0.44 0.00 0.00 34.13 33.83 1klv s GLU 112 CO 0.00 -0.01 0.50 0.43 0.95 0.00 0.00 175.26 177.13 1klv n SER 113 N 1.32 0.32 -4.17 0.83 7.64 -1.26 -5.01 113.62 113.29 1klv n SER 113 Ca -0.08 -0.10 -0.12 0.00 1.01 0.00 0.00 58.87 59.58 1klv n SER 113 Cb 0.57 1.85 -0.09 0.00 -1.01 0.00 0.00 64.21 65.53 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 -3.39 0.00 0.16 0.44 0.11 -1.26 -5.17 120.40 111.29 1klv s VAL 114 Ca -0.06 -1.93 0.11 0.00 -2.93 0.00 0.00 61.98 57.17 1klv s VAL 114 Cb 0.13 -2.46 -0.04 0.00 -1.53 0.00 0.00 36.38 32.48 1klv s VAL 114 CO 0.86 0.00 -0.24 -0.47 -3.33 0.00 0.00 175.10 171.92 1klv s TYR 115 N -4.14 2.35 0.00 1.54 5.04 -1.26 -5.04 117.35 115.84 1klv s TYR 115 Ca 0.37 -0.35 0.00 0.00 -2.44 0.00 0.00 57.07 54.65 1klv s TYR 115 Cb 0.06 -1.22 0.00 0.00 0.35 0.00 0.00 41.96 41.15 1klv s TYR 115 CO 0.12 0.42 0.00 0.41 -1.34 0.00 0.00 175.55 175.16 1klv n GLY 116 N 0.57 0.87 0.62 8.97 0.00 -1.26 -5.30 105.19 109.67 1klv n GLY 116 Ca -0.15 -0.72 0.08 0.00 0.00 0.00 0.00 46.02 45.23 1klv n GLY 116 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79