#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 0.09 0.00 1.61 5.08 -2.02 0.74 114.58 120.08 1klv h GLU 19 Ca 0.00 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 1klv h GLU 19 Cb 0.00 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1klv h GLU 19 CO 0.00 0.06 -0.62 -0.22 -1.00 0.00 0.00 179.01 177.23 1klv h LYS 20 N 0.09 0.00 0.00 2.33 1.63 -2.05 -2.94 116.57 115.63 1klv h LYS 20 Ca 0.23 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.02 1klv h LYS 20 Cb 0.35 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1klv h LYS 20 CO -0.40 0.62 -0.05 0.82 -3.45 0.00 0.00 179.45 176.98 1klv h ILE 21 N 0.00 0.13 0.04 2.00 1.08 -1.53 -2.60 117.51 116.63 1klv h ILE 21 Ca -0.01 -0.72 -0.23 0.00 -0.39 0.00 0.00 64.86 63.51 1klv h ILE 21 Cb 1.15 1.64 -0.02 0.00 -3.07 0.00 0.00 36.82 36.52 1klv h ILE 21 CO 0.08 0.05 -1.08 -0.09 -0.69 0.00 0.00 178.15 176.42 1klv h ARG 22 N 0.00 0.08 0.04 2.37 1.12 -0.74 -0.44 114.38 116.81 1klv h ARG 22 Ca -0.00 -0.14 -0.26 0.00 -1.11 0.00 0.00 59.98 58.46 1klv h ARG 22 Cb 0.64 0.05 0.02 0.00 -0.01 0.00 0.00 29.97 30.66 1klv h ARG 22 CO 0.01 1.07 -1.07 -0.22 -3.11 0.00 0.00 179.97 176.64 1klv h LYS 23 N 0.02 0.55 0.00 0.20 3.11 -1.52 -3.26 116.57 115.68 1klv h LYS 23 Ca -0.05 -0.65 -0.25 0.00 -2.81 0.00 0.00 60.65 56.90 1klv h LYS 23 Cb 1.83 0.20 -0.04 0.00 -1.00 0.00 0.00 32.23 33.22 1klv h LYS 23 CO 0.15 1.26 -1.36 1.57 -2.81 0.00 0.00 179.45 178.26 1klv h LYS 24 N 0.29 0.00 -2.50 1.90 2.10 -1.55 -3.38 116.57 113.42 1klv h LYS 24 Ca -0.13 0.00 -0.66 0.00 -2.00 0.00 0.00 60.65 57.86 1klv h LYS 24 Cb 1.73 0.00 -0.38 0.00 -0.90 0.00 0.00 32.23 32.68 1klv h LYS 24 CO 0.20 0.72 -0.22 0.66 -2.00 0.00 0.00 179.45 178.82 1klv n TYR 25 N -3.19 3.34 1.09 0.07 4.01 -0.17 -4.82 117.16 117.49 1klv n TYR 25 Ca -0.09 -3.78 0.10 0.00 -0.16 0.00 0.00 57.90 53.97 1klv n TYR 25 Cb 0.99 -0.78 0.55 0.00 -0.31 0.00 0.00 39.34 39.80 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 1.13 0.43 0.00 -0.72 -0.04 -1.23 -2.32 135.00 132.25 1klv n PRO 26 Ca 0.28 0.06 0.07 0.00 -0.04 0.00 0.00 63.50 63.87 1klv n PRO 26 Cb 0.38 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.18 1.95 -1.76 3.54 2.03 -1.26 -4.99 116.55 114.88 1klv n ASP 27 Ca 0.12 -1.47 0.00 0.00 0.52 0.00 0.00 54.79 53.95 1klv n ASP 27 Cb 0.13 0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 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 1.07 -3.46 -0.67 3.00 -0.98 -3.33 116.66 112.74 1klv n ARG 28 Ca 0.08 0.00 -0.19 0.00 -0.01 0.00 0.00 57.85 57.73 1klv n ARG 28 Cb 0.34 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.68 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 0.62 -0.34 -1.14 1.55 1.01 0.15 -4.59 120.40 117.67 1klv s VAL 29 Ca 0.00 -0.30 -0.21 0.00 0.00 0.00 0.00 61.98 61.47 1klv s VAL 29 Cb 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.57 1klv s VAL 29 CO 0.00 -0.34 1.75 -2.16 0.00 0.00 0.00 175.10 174.35 1klv s PRO 30 N 2.32 3.30 0.41 2.72 0.04 -1.26 -2.48 135.00 140.06 1klv s PRO 30 Ca 0.08 -1.32 -0.21 0.00 0.04 0.00 0.00 61.00 59.60 1klv s PRO 30 Cb -0.15 -5.35 -0.11 0.00 0.04 0.00 0.00 34.50 28.93 1klv s PRO 30 CO -0.21 -2.85 0.93 0.14 0.04 0.00 0.00 177.00 175.05 1klv s VAL 31 N 6.99 4.41 0.33 -0.36 -7.23 -0.77 -2.63 120.40 121.15 1klv s VAL 31 Ca 0.58 1.46 0.07 0.00 -1.81 0.00 0.00 61.98 62.28 1klv s VAL 31 Cb 0.00 -3.62 -0.02 0.00 0.56 0.00 0.00 36.38 33.30 1klv s VAL 31 CO 0.04 -0.28 0.41 -0.63 -0.31 0.00 0.00 175.10 174.32 1klv s ILE 32 N -2.13 3.95 0.00 -0.62 -1.09 0.34 -2.01 121.20 119.65 1klv s ILE 32 Ca 0.61 -1.12 0.02 0.00 -2.23 0.00 0.00 60.65 57.93 1klv s ILE 32 Cb -0.10 -3.36 -0.01 0.00 -1.58 0.00 0.00 42.46 37.42 1klv s ILE 32 CO 0.14 -0.17 -0.06 -0.69 -1.23 0.00 0.00 174.94 172.93 1klv s VAL 33 N -2.21 0.42 0.21 2.92 1.01 0.19 -2.11 120.40 120.83 1klv s VAL 33 Ca 0.43 -0.37 -0.18 0.00 0.00 0.00 0.00 61.98 61.86 1klv s VAL 33 Cb -0.08 -0.39 0.03 0.00 0.00 0.00 0.00 36.38 35.94 1klv s VAL 33 CO 0.30 0.02 0.56 -0.70 0.00 0.00 0.00 175.10 175.28 1klv s GLU 34 N -0.38 1.47 0.29 2.72 2.12 -0.68 -4.78 118.70 119.45 1klv s GLU 34 Ca -0.00 -0.89 0.05 0.00 0.36 0.00 0.00 54.97 54.49 1klv s GLU 34 Cb -0.03 0.54 -0.02 0.00 0.26 0.00 0.00 34.13 34.88 1klv s GLU 34 CO -0.00 -0.63 0.42 0.21 -0.54 0.00 0.00 175.26 174.72 1klv s LYS 35 N -3.88 3.29 0.37 4.30 2.47 -1.26 -2.19 119.74 122.83 1klv s LYS 35 Ca 0.10 -0.86 -0.06 0.00 -1.56 0.00 0.00 55.97 53.59 1klv s LYS 35 Cb -0.02 -2.85 0.09 0.00 -1.46 0.00 0.00 37.83 33.60 1klv s LYS 35 CO -0.01 0.24 0.26 0.00 0.16 0.00 0.00 175.35 176.00 1klv n ALA 36 N -1.54 -1.21 -2.15 3.13 0.00 -0.78 -4.78 120.51 113.18 1klv n ALA 36 Ca -0.05 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.55 1klv n ALA 36 Cb 0.57 -0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 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 -3.61 3.27 -1.25 0.00 0.04 -1.26 -2.96 135.00 129.23 1klv s PRO 37 Ca 0.19 1.03 -0.05 0.00 0.04 0.00 0.00 61.00 62.20 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 0.15 -1.94 0.63 1.63 0.04 0.00 0.00 177.00 177.51 1klv n LYS 38 N 8.49 -4.72 -0.28 4.56 5.02 -1.26 -4.98 118.16 125.00 1klv n LYS 38 Ca 0.19 0.74 -0.29 0.00 -2.02 0.00 0.00 58.31 56.93 1klv n LYS 38 Cb 0.48 -5.30 0.28 0.00 -0.02 0.00 0.00 35.03 30.47 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 -3.59 -4.52 -2.52 7.82 0.00 -1.15 -4.99 120.51 111.55 1klv n ALA 39 Ca -0.07 -1.80 -0.01 0.00 0.00 0.00 0.00 53.44 51.56 1klv n ALA 39 Cb 0.59 -1.54 0.04 0.00 0.00 0.00 0.00 19.45 18.54 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 -5.29 0.85 -2.23 0.00 1.85 -1.26 -5.01 116.66 105.58 1klv n ARG 40 Ca 0.12 -1.93 -0.27 0.00 -1.00 0.00 0.00 57.85 54.77 1klv n ARG 40 Cb 0.57 -0.18 0.14 0.00 -1.05 0.00 0.00 32.46 31.94 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 -0.96 2.10 0.70 8.89 -5.25 -1.26 -5.00 121.20 120.41 1klv s ILE 41 Ca 0.17 -0.28 -0.08 0.00 -0.99 0.00 0.00 60.65 59.47 1klv s ILE 41 Cb 0.30 -2.82 0.13 0.00 2.95 0.00 0.00 42.46 43.02 1klv s ILE 41 CO -0.08 0.00 0.29 0.61 -1.79 0.00 0.00 174.94 173.96 1klv n GLY 42 N -3.26 -1.71 2.20 6.27 0.00 -0.47 -4.97 105.19 103.25 1klv n GLY 42 Ca 0.14 -0.56 -0.17 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.99 -0.42 -3.91 1.61 -0.08 -1.26 -4.80 116.55 106.69 1klv n ASP 43 Ca 0.05 -1.17 -0.17 0.00 -1.51 0.00 0.00 54.79 51.98 1klv n ASP 43 Cb 0.20 -0.59 -0.15 0.00 2.34 0.00 0.00 41.12 42.91 1klv n ASP 43 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1klv s LEU 44 N 0.00 1.66 -0.04 -2.67 2.01 -1.26 -4.26 118.68 114.12 1klv s LEU 44 Ca 0.43 -0.09 -0.02 0.00 0.01 0.00 0.00 54.13 54.47 1klv s LEU 44 Cb -0.02 -0.30 -0.27 0.00 0.01 0.00 0.00 46.19 45.61 1klv s LEU 44 CO 0.31 -0.00 0.69 0.44 1.01 0.00 0.00 176.35 178.80 1klv h ASP 45 N 6.58 0.34 -5.04 2.29 3.32 -1.97 -3.48 116.42 118.45 1klv h ASP 45 Ca -0.34 -0.57 -0.08 0.00 0.02 0.00 0.00 57.03 56.06 1klv h ASP 45 Cb 1.17 -0.11 -0.16 0.00 0.22 0.00 0.00 39.33 40.45 1klv h ASP 45 CO 0.49 1.49 -0.13 -1.59 -1.72 0.00 0.00 179.24 177.78 1klv s LYS 46 N -2.60 0.91 -0.34 3.56 0.00 -1.26 -5.07 119.74 114.95 1klv s LYS 46 Ca -0.12 -0.42 0.07 0.00 0.00 0.00 0.00 55.97 55.49 1klv s LYS 46 Cb 0.07 0.41 0.45 0.00 0.00 0.00 0.00 37.83 38.75 1klv s LYS 46 CO 0.83 -0.31 1.16 0.36 0.00 0.00 0.00 175.35 177.38 1klv n LYS 47 N 0.44 3.53 -3.20 1.78 0.00 -1.26 -4.94 118.16 114.51 1klv n LYS 47 Ca -0.18 -4.27 0.01 0.00 -0.00 0.00 0.00 58.31 53.87 1klv n LYS 47 Cb 0.60 -2.26 -0.02 0.00 -0.00 0.00 0.00 35.03 33.35 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 -3.58 0.52 -0.04 -1.58 1.02 -1.26 -0.64 119.74 114.17 1klv s LYS 48 Ca 0.50 0.78 -0.02 0.00 0.02 0.00 0.00 55.97 57.25 1klv s LYS 48 Cb 0.41 0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 37.94 1klv s LYS 48 CO -0.03 -0.73 0.09 0.71 -0.92 0.00 0.00 175.35 174.47 1klv s TYR 49 N 2.78 3.36 -0.78 3.18 1.51 -0.85 -4.95 117.35 121.60 1klv s TYR 49 Ca 0.17 0.29 -0.11 0.00 -1.01 0.00 0.00 57.07 56.41 1klv s TYR 49 Cb -0.14 -1.80 0.20 0.00 -0.11 0.00 0.00 41.96 40.11 1klv s TYR 49 CO -0.22 0.59 0.68 -1.17 -1.11 0.00 0.00 175.55 174.32 1klv s LEU 50 N -1.45 6.32 -0.01 -1.29 2.96 -1.26 -1.85 118.68 122.11 1klv s LEU 50 Ca 0.20 -2.77 0.03 0.00 -0.22 0.00 0.00 54.13 51.37 1klv s LEU 50 Cb -0.12 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1klv s LEU 50 CO 0.10 -0.51 -0.07 0.68 -1.32 0.00 0.00 176.35 175.23 1klv s VAL 51 N 0.05 3.62 0.50 1.68 -7.23 -1.03 -4.87 120.40 113.12 1klv s VAL 51 Ca 0.18 -0.74 -0.21 0.00 -1.81 0.00 0.00 61.98 59.41 1klv s VAL 51 Cb -0.13 -2.55 -0.07 0.00 0.56 0.00 0.00 36.38 34.19 1klv s VAL 51 CO -0.07 0.43 1.11 -2.16 -0.31 0.00 0.00 175.10 174.09 1klv s PRO 52 N -1.30 3.61 0.36 4.82 0.04 -1.26 0.35 135.00 141.61 1klv s PRO 52 Ca 0.16 1.58 0.25 0.00 0.04 0.00 0.00 61.00 63.03 1klv s PRO 52 Cb -0.11 -2.15 1.29 0.00 0.04 0.00 0.00 34.50 33.57 1klv s PRO 52 CO 0.06 -0.63 1.77 1.03 0.04 0.00 0.00 177.00 179.27 1klv h SER 53 N 1.56 0.00 1.15 6.66 0.87 -1.80 -1.75 113.55 120.24 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 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1klv h SER 53 CO 0.58 0.00 -0.23 -0.67 -0.53 0.00 0.00 176.83 175.98 1klv n ASP 54 N -2.38 0.65 -4.76 6.23 2.03 -1.26 -0.74 116.55 116.31 1klv n ASP 54 Ca -0.01 0.36 -0.39 0.00 0.52 0.00 0.00 54.79 55.27 1klv n ASP 54 Cb 0.09 -0.38 0.02 0.00 -0.72 0.00 0.00 41.12 40.12 1klv n ASP 54 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1klv s LEU 55 N -4.12 4.08 0.55 -2.67 1.43 -0.66 -4.86 118.68 112.44 1klv s LEU 55 Ca 0.10 2.80 -0.01 0.00 -1.03 0.00 0.00 54.13 55.99 1klv s LEU 55 Cb 0.14 -4.01 0.02 0.00 0.03 0.00 0.00 46.19 42.38 1klv s LEU 55 CO 0.63 -1.16 0.79 0.42 0.23 0.00 0.00 176.35 177.26 1klv s THR 56 N -1.25 3.14 0.41 5.49 -4.23 -1.26 -0.98 115.64 116.95 1klv s THR 56 Ca 0.62 -0.47 0.10 0.00 -1.18 0.00 0.00 61.69 60.75 1klv s THR 56 Cb -0.41 -3.20 0.20 0.00 1.34 0.00 0.00 72.50 70.43 1klv s THR 56 CO 0.52 -0.16 1.98 0.58 -0.54 0.00 0.00 174.62 177.00 1klv h VAL 57 N 0.05 1.14 0.00 2.29 2.07 -1.36 -1.10 116.25 119.33 1klv h VAL 57 Ca -0.44 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 1klv h VAL 57 Cb 1.28 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1klv h VAL 57 CO 0.56 0.18 -0.10 1.23 0.02 0.00 0.00 177.57 179.46 1klv h GLY 58 N 0.59 0.00 0.00 2.17 0.00 -1.85 -1.44 103.07 102.54 1klv h GLY 58 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 1klv h GLY 58 CO 0.01 0.00 -0.05 1.46 0.00 0.00 0.00 176.54 177.96 1klv h GLN 59 N 0.00 0.00 -0.41 4.80 1.08 -1.58 -3.25 115.11 115.76 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 0.37 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 1klv h GLN 59 CO 0.01 0.91 0.26 0.35 -0.95 0.00 0.00 178.83 179.41 1klv h PHE 60 N -1.00 0.52 -0.89 2.96 3.57 -1.39 -0.77 116.94 119.94 1klv h PHE 60 Ca -0.01 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.62 1klv h PHE 60 Cb 0.92 -0.17 -0.07 0.00 2.79 0.00 0.00 35.95 39.42 1klv h PHE 60 CO 0.25 0.33 0.57 -0.92 -2.23 0.00 0.00 178.31 176.31 1klv h TYR 61 N 0.55 0.87 0.02 0.41 5.03 -1.34 -2.79 116.97 119.73 1klv h TYR 61 Ca 0.15 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.48 1klv h TYR 61 Cb -0.05 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 37.95 1klv h TYR 61 CO 0.00 0.35 -0.01 0.35 -1.32 0.00 0.00 178.16 177.53 1klv h PHE 62 N 0.77 -0.02 -1.00 -3.82 3.57 -1.17 -2.60 116.94 112.66 1klv h PHE 62 Ca 0.43 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.97 1klv h PHE 62 Cb 0.60 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.28 1klv h PHE 62 CO -0.00 0.66 0.65 1.37 -2.23 0.00 0.00 178.31 178.76 1klv h LEU 63 N -0.75 1.09 -0.10 0.59 8.10 -1.29 -2.41 115.31 120.53 1klv h LEU 63 Ca -0.00 -0.01 -0.24 0.00 0.11 0.00 0.00 57.88 57.73 1klv h LEU 63 Cb 0.70 -0.25 0.01 0.00 -0.44 0.00 0.00 40.66 40.68 1klv h LEU 63 CO 0.00 0.74 -0.94 0.40 -4.11 0.00 0.00 178.44 174.54 1klv h ILE 64 N 1.26 1.30 -0.96 0.15 2.04 -1.62 -3.10 117.51 116.58 1klv h ILE 64 Ca 0.40 -2.20 0.10 0.00 1.00 0.00 0.00 64.86 64.16 1klv h ILE 64 Cb 0.01 2.26 -0.13 0.00 -0.74 0.00 0.00 36.82 38.23 1klv h ILE 64 CO -0.13 0.68 -0.51 0.54 0.00 0.00 0.00 178.15 178.73 1klv n ARG 65 N -3.86 -0.37 0.01 2.37 5.12 -0.92 0.11 116.66 119.13 1klv n ARG 65 Ca -0.09 1.45 -0.01 0.00 -1.93 0.00 0.00 57.85 57.27 1klv n ARG 65 Cb 0.83 -2.14 0.26 0.00 -1.16 0.00 0.00 32.46 30.25 1klv n ARG 65 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1klv h LYS 66 N 0.00 0.49 0.00 5.56 6.56 -1.61 -1.16 116.57 126.41 1klv h LYS 66 Ca 0.20 -0.14 0.00 0.00 -1.06 0.00 0.00 60.65 59.66 1klv h LYS 66 Cb 0.44 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.05 1klv h LYS 66 CO -0.91 0.60 0.00 0.54 -2.06 0.00 0.00 179.45 177.62 1klv n ARG 67 N -4.22 0.04 -0.17 3.15 5.12 0.29 -1.70 116.66 119.18 1klv n ARG 67 Ca 0.01 0.22 0.12 0.00 -1.93 0.00 0.00 57.85 56.27 1klv n ARG 67 Cb 0.31 -1.50 0.20 0.00 -1.16 0.00 0.00 32.46 30.31 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 -1.46 0.46 -2.23 0.55 5.41 0.12 -4.22 119.36 117.99 1klv n ILE 68 Ca 0.04 -0.73 -0.20 0.00 1.00 0.00 0.00 62.75 62.86 1klv n ILE 68 Cb 0.17 1.04 -0.03 0.00 -0.71 0.00 0.00 39.64 40.11 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 1.48 -0.77 -4.32 1.39 -0.00 -0.69 -1.36 115.22 110.95 1klv n HIS 69 Ca 0.19 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 58.11 1klv n HIS 69 Cb 0.61 -3.80 -0.09 0.00 -0.12 0.00 0.00 29.99 26.58 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 -5.61 2.95 0.00 0.27 0.05 -1.19 -4.67 118.68 110.48 1klv s LEU 70 Ca 0.00 -0.66 0.00 0.00 0.05 0.00 0.00 54.13 53.52 1klv s LEU 70 Cb 0.00 -1.58 0.00 0.00 -2.05 0.00 0.00 46.19 42.56 1klv s LEU 70 CO 0.00 0.07 0.00 -2.11 -0.55 0.00 0.00 176.35 173.76 1klv n ARG 71 N -0.24 0.00 0.00 1.48 1.85 -1.26 -4.47 116.66 114.02 1klv n ARG 71 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.76 1klv n ARG 71 Cb 0.57 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.98 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 -2.14 2.89 0.00 -1.26 -1.69 120.51 115.31 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 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 0.00 -0.47 0.00 0.28 -1.26 -5.13 120.64 114.06 1klv n GLU 73 Ca 0.00 -1.11 -0.25 0.00 -0.16 0.00 0.00 57.16 55.64 1klv n GLU 73 Cb 0.00 0.16 0.20 0.00 1.43 0.00 0.00 31.44 33.23 1klv n GLU 73 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1klv n ASP 74 N 0.14 -3.09 -4.87 -1.84 2.03 -0.68 -4.96 116.55 103.27 1klv n ASP 74 Ca -0.10 -0.45 -0.36 0.00 0.52 0.00 0.00 54.79 54.40 1klv n ASP 74 Cb 0.79 -0.91 -0.06 0.00 -0.72 0.00 0.00 41.12 40.22 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 -2.14 3.84 -0.03 -1.67 0.00 -1.26 -4.99 121.76 115.50 1klv s ALA 75 Ca 0.51 -0.54 -0.29 0.00 0.00 0.00 0.00 51.96 51.64 1klv s ALA 75 Cb -0.11 -2.08 0.08 0.00 0.00 0.00 0.00 23.12 21.02 1klv s ALA 75 CO 0.49 0.61 0.74 -1.17 0.00 0.00 0.00 175.76 176.43 1klv s LEU 76 N -1.35 -0.57 -0.30 0.00 2.96 -1.24 -4.24 118.68 113.94 1klv s LEU 76 Ca 0.22 0.48 -0.11 0.00 -0.22 0.00 0.00 54.13 54.50 1klv s LEU 76 Cb -0.13 2.38 0.13 0.00 0.50 0.00 0.00 46.19 49.07 1klv s LEU 76 CO 0.11 -0.62 0.69 -0.36 -1.32 0.00 0.00 176.35 174.84 1klv s PHE 77 N -1.78 -1.27 -0.31 5.38 0.08 -0.01 -4.92 117.98 115.15 1klv s PHE 77 Ca -0.06 2.21 -0.21 0.00 0.12 0.00 0.00 56.93 58.99 1klv s PHE 77 Cb -0.00 0.76 -0.00 0.00 -0.57 0.00 0.00 43.02 43.20 1klv s PHE 77 CO 0.03 -0.63 0.69 -0.06 -0.10 0.00 0.00 175.22 175.15 1klv s PHE 78 N 2.79 3.20 -0.19 0.36 0.08 -1.26 -1.75 117.98 121.20 1klv s PHE 78 Ca -0.06 0.63 -0.05 0.00 0.12 0.00 0.00 56.93 57.57 1klv s PHE 78 Cb -0.11 -3.10 -0.03 0.00 -0.57 0.00 0.00 43.02 39.21 1klv s PHE 78 CO -0.19 -0.54 -0.00 -0.06 -0.10 0.00 0.00 175.22 174.33 1klv s PHE 79 N 2.76 3.05 -0.10 0.36 0.40 0.06 -4.73 117.98 119.78 1klv s PHE 79 Ca 0.28 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 56.25 1klv s PHE 79 Cb -0.14 -2.06 0.00 0.00 0.51 0.00 0.00 43.02 41.33 1klv s PHE 79 CO 0.13 -0.18 -0.22 0.08 0.70 0.00 0.00 175.22 175.72 1klv s VAL 80 N 0.85 1.92 -1.47 -0.44 1.01 -0.87 -1.81 120.40 119.60 1klv s VAL 80 Ca 0.01 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 1klv s VAL 80 Cb -0.14 -1.67 0.09 0.00 0.00 0.00 0.00 36.38 34.66 1klv s VAL 80 CO 0.02 0.53 0.73 -3.20 0.00 0.00 0.00 175.10 173.17 1klv n ASN 81 N 3.57 -4.23 -2.48 3.32 5.15 -1.26 -0.41 115.26 118.93 1klv n ASN 81 Ca -0.20 -0.63 -0.17 0.00 -0.60 0.00 0.00 54.58 52.99 1klv n ASN 81 Cb 0.53 -3.43 0.04 0.00 -0.53 0.00 0.00 39.78 36.38 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 -2.56 -5.10 -4.27 1.20 5.15 -1.26 -5.01 115.26 103.41 1klv n ASN 82 Ca 0.02 -0.28 -0.15 0.00 -0.60 0.00 0.00 54.58 53.57 1klv n ASN 82 Cb 0.53 -3.87 -0.10 0.00 -0.53 0.00 0.00 39.78 35.81 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 -3.09 0.58 -0.47 3.44 1.01 0.46 -5.11 120.40 117.22 1klv s VAL 83 Ca 0.30 -1.99 0.06 0.00 0.00 0.00 0.00 61.98 60.35 1klv s VAL 83 Cb -0.13 -2.36 0.22 0.00 0.00 0.00 0.00 36.38 34.12 1klv s VAL 83 CO 0.37 -0.25 0.75 -0.38 0.00 0.00 0.00 175.10 175.58 1klv n ILE 84 N -0.33 -0.21 -1.46 2.22 -0.00 -1.26 -2.05 119.36 116.26 1klv n ILE 84 Ca -0.03 -1.96 -0.30 0.00 -0.00 0.00 0.00 62.75 60.46 1klv n ILE 84 Cb 0.65 0.55 0.10 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 0.37 1.95 1.01 0.38 0.04 -1.26 -5.05 135.00 132.43 1klv s PRO 85 Ca 0.32 0.72 -0.17 0.00 0.04 0.00 0.00 61.00 61.91 1klv s PRO 85 Cb 0.15 -1.90 0.25 0.00 0.04 0.00 0.00 34.50 33.04 1klv s PRO 85 CO -0.18 -1.74 0.98 -0.35 0.04 0.00 0.00 177.00 175.75 1klv n PRO 86 N -3.52 -2.49 -0.23 0.56 -0.04 -1.26 -4.90 135.00 123.12 1klv n PRO 86 Ca 0.07 -1.55 0.02 0.00 -0.04 0.00 0.00 63.50 62.00 1klv n PRO 86 Cb 0.56 -1.35 0.10 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 -4.33 0.71 -1.35 0.52 -2.24 -1.26 -4.17 114.28 102.15 1klv n THR 87 Ca 0.13 -0.35 -0.32 0.00 -2.27 0.00 0.00 64.05 61.24 1klv n THR 87 Cb 0.50 -0.45 0.06 0.00 -2.10 0.00 0.00 70.33 68.34 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 0.16 7.41 -2.05 3.42 7.64 -1.26 -4.36 113.62 124.58 1klv n SER 88 Ca 0.07 -3.64 -0.08 0.00 1.01 0.00 0.00 58.87 56.23 1klv n SER 88 Cb 0.49 -1.02 -0.02 0.00 -1.01 0.00 0.00 64.21 62.65 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 -0.55 0.03 -2.93 -0.43 0.00 -1.26 -5.03 120.51 110.34 1klv n ALA 89 Ca 0.55 -0.88 -0.10 0.00 0.00 0.00 0.00 53.44 53.01 1klv n ALA 89 Cb 0.57 0.71 -0.12 0.00 0.00 0.00 0.00 19.45 20.61 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 0.11 0.25 0.00 -4.23 -1.26 -1.22 115.64 106.65 1klv s THR 90 Ca 0.17 -0.62 -0.02 0.00 -1.18 0.00 0.00 61.69 60.03 1klv s THR 90 Cb 0.00 -0.20 0.23 0.00 1.34 0.00 0.00 72.50 73.87 1klv s THR 90 CO 0.12 -0.32 1.78 0.24 -0.54 0.00 0.00 174.62 175.90 1klv h MET 91 N 5.14 0.68 -0.68 3.99 2.86 -1.23 -1.09 114.93 124.59 1klv h MET 91 Ca -0.30 -0.04 0.14 0.00 -2.06 0.00 0.00 59.70 57.45 1klv h MET 91 Cb 1.21 -0.15 -0.11 0.00 0.06 0.00 0.00 31.60 32.61 1klv h MET 91 CO 0.44 0.45 0.11 0.78 1.06 0.00 0.00 176.91 179.75 1klv h GLY 92 N 0.70 0.87 1.72 8.32 0.00 -1.11 0.28 103.07 113.86 1klv h GLY 92 Ca 0.43 0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.71 1klv h GLY 92 CO -0.31 -0.19 -0.16 0.06 0.00 0.00 0.00 176.54 175.94 1klv h GLN 93 N 0.21 0.34 0.00 4.80 3.07 -1.37 -1.68 115.11 120.49 1klv h GLN 93 Ca 0.37 -0.09 0.00 0.00 0.09 0.00 0.00 58.65 59.02 1klv h GLN 93 Cb 0.62 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.14 1klv h GLN 93 CO -0.51 0.50 0.00 1.37 0.09 0.00 0.00 178.83 180.28 1klv h LEU 94 N 0.32 0.00 -0.21 0.06 8.10 -0.13 -3.18 115.31 120.27 1klv h LEU 94 Ca 0.06 0.00 0.05 0.00 0.11 0.00 0.00 57.88 58.10 1klv h LEU 94 Cb 0.47 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.62 1klv h LEU 94 CO 0.03 0.00 -0.40 0.22 -4.11 0.00 0.00 178.44 174.18 1klv h TYR 95 N 0.00 -1.13 0.00 0.17 3.20 -0.37 0.31 116.97 119.15 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 0.40 0.52 0.00 0.00 1.54 0.00 0.00 36.73 39.19 1klv h TYR 95 CO 0.00 -0.45 0.00 1.96 -1.64 0.00 0.00 178.16 178.03 1klv h GLN 96 N -0.42 0.00 0.00 1.82 4.20 -1.73 -3.10 115.11 115.89 1klv h GLN 96 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1klv h GLN 96 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1klv h GLN 96 CO -0.44 0.00 -0.20 0.93 -0.67 0.00 0.00 178.83 178.46 1klv h GLU 97 N 0.00 0.00 -1.10 1.46 4.39 -0.59 -3.40 114.58 115.34 1klv h GLU 97 Ca 0.00 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.09 1klv h GLU 97 Cb 0.39 0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 28.78 1klv h GLU 97 CO 0.00 0.00 0.78 0.72 -1.16 0.00 0.00 179.01 179.35 1klv n HIS 98 N -3.49 2.91 -3.90 4.33 8.25 0.13 -4.92 115.22 118.53 1klv n HIS 98 Ca -0.03 -2.80 -0.09 0.00 -0.26 0.00 0.00 57.72 54.54 1klv n HIS 98 Cb 0.10 -1.35 -0.02 0.00 1.12 0.00 0.00 29.99 29.85 1klv n HIS 98 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1klv s HIS 99 N -3.43 0.18 0.00 4.41 5.65 -1.17 -2.58 115.29 118.35 1klv s HIS 99 Ca 0.58 -0.66 0.00 0.00 0.25 0.00 0.00 55.06 55.23 1klv s HIS 99 Cb 0.46 0.54 0.00 0.00 -1.18 0.00 0.00 32.58 32.40 1klv s HIS 99 CO -0.01 -1.28 0.00 -0.85 -0.65 0.00 0.00 174.74 171.95 1klv n GLU 100 N -0.48 0.00 0.08 2.88 0.28 -1.26 -4.78 120.64 117.35 1klv n GLU 100 Ca -0.04 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.07 1klv n GLU 100 Cb 0.60 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.50 1klv n GLU 100 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1klv n GLU 101 N 0.00 0.51 0.00 3.44 -0.58 -1.26 -4.49 120.64 118.26 1klv n GLU 101 Ca 0.00 0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1klv n GLU 101 Cb 0.00 -1.76 0.00 0.00 -0.57 0.00 0.00 31.44 29.11 1klv n GLU 101 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1klv n ASP 102 N -2.46 0.00 0.00 1.62 8.00 -1.26 -4.90 116.55 117.55 1klv n ASP 102 Ca 0.01 0.86 0.00 0.00 0.71 0.00 0.00 54.79 56.37 1klv n ASP 102 Cb 0.52 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 1klv n ASP 102 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1klv n PHE 103 N -2.40 0.00 -4.19 1.24 7.35 -1.26 -5.15 117.46 113.05 1klv n PHE 103 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 1klv n PHE 103 Cb 0.00 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 39.81 1klv n PHE 103 CO 0.00 0.00 0.00 1.97 -0.76 0.00 0.00 176.76 177.97 1klv n PHE 104 N 0.00 0.15 -3.70 -5.13 1.16 -1.26 -4.94 117.46 103.74 1klv n PHE 104 Ca 0.00 -0.82 -0.21 0.00 -1.87 0.00 0.00 57.45 54.55 1klv n PHE 104 Cb 0.00 -0.04 -0.04 0.00 -1.61 0.00 0.00 39.48 37.80 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 3.44 -0.10 5.98 0.05 -1.08 -4.46 118.68 122.51 1klv s LEU 105 Ca 0.04 -0.68 0.02 0.00 0.05 0.00 0.00 54.13 53.56 1klv s LEU 105 Cb 0.00 -2.06 0.01 0.00 -2.05 0.00 0.00 46.19 42.10 1klv s LEU 105 CO 0.03 -0.53 -0.17 -0.72 -0.55 0.00 0.00 176.35 174.41 1klv s TYR 106 N -2.42 2.02 0.02 3.48 -0.85 -1.07 -0.50 117.35 118.03 1klv s TYR 106 Ca 0.45 -0.89 0.02 0.00 -0.52 0.00 0.00 57.07 56.12 1klv s TYR 106 Cb -0.04 -1.43 -0.01 0.00 0.38 0.00 0.00 41.96 40.86 1klv s TYR 106 CO 0.27 -0.43 -0.05 0.42 -1.52 0.00 0.00 175.55 174.23 1klv s ILE 107 N 0.78 0.39 0.34 -3.49 1.01 -0.90 -4.16 121.20 115.18 1klv s ILE 107 Ca -0.11 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.00 1klv s ILE 107 Cb -0.16 -0.40 -0.03 0.00 0.01 0.00 0.00 42.46 41.87 1klv s ILE 107 CO 0.02 -0.13 0.15 0.00 0.00 0.00 0.00 174.94 174.97 1klv s ALA 108 N -0.69 2.31 0.20 9.38 0.00 -0.75 -1.69 121.76 130.52 1klv s ALA 108 Ca -0.04 -1.63 -0.09 0.00 0.00 0.00 0.00 51.96 50.20 1klv s ALA 108 Cb -0.05 1.00 -0.01 0.00 0.00 0.00 0.00 23.12 24.06 1klv s ALA 108 CO -0.00 -0.45 0.31 1.52 0.00 0.00 0.00 175.76 177.15 1klv s TYR 109 N -3.43 0.53 0.22 0.00 1.13 -0.93 -0.76 117.35 114.11 1klv s TYR 109 Ca 0.32 -0.87 -0.20 0.00 -1.41 0.00 0.00 57.07 54.91 1klv s TYR 109 Cb 0.04 -0.08 0.04 0.00 -1.10 0.00 0.00 41.96 40.86 1klv s TYR 109 CO 0.17 -0.79 0.62 0.45 -2.51 0.00 0.00 175.55 173.49 1klv s SER 110 N -3.02 -0.36 0.00 -0.18 0.15 -0.72 -1.87 113.70 107.71 1klv s SER 110 Ca 0.23 -0.38 0.26 0.00 0.70 0.00 0.00 55.95 56.76 1klv s SER 110 Cb 0.03 0.64 0.64 0.00 -1.71 0.00 0.00 66.02 65.62 1klv s SER 110 CO 0.05 -1.14 1.51 -0.90 1.20 0.00 0.00 173.24 173.96 1klv n ASP 111 N -0.40 0.55 -3.63 5.45 5.75 -1.26 -0.83 116.55 122.18 1klv n ASP 111 Ca -0.10 -0.31 -0.03 0.00 -0.01 0.00 0.00 54.79 54.34 1klv n ASP 111 Cb 0.62 0.15 -0.02 0.00 -1.03 0.00 0.00 41.12 40.84 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 -2.89 0.11 -0.06 0.11 -1.05 -1.26 -4.06 118.70 109.60 1klv s GLU 112 Ca 0.14 -0.03 0.09 0.00 -0.15 0.00 0.00 54.97 55.02 1klv s GLU 112 Cb 0.18 0.05 0.18 0.00 -0.44 0.00 0.00 34.13 34.10 1klv s GLU 112 CO 0.64 -0.05 1.12 0.45 0.95 0.00 0.00 175.26 178.38 1klv n SER 113 N 0.02 -0.50 -4.86 0.83 2.88 -1.26 -5.06 113.62 105.68 1klv n SER 113 Ca 0.04 -2.03 -0.27 0.00 -1.33 0.00 0.00 58.87 55.27 1klv n SER 113 Cb 0.57 0.18 -0.03 0.00 -0.75 0.00 0.00 64.21 64.19 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 -0.18 1.68 0.07 2.46 0.11 -1.26 -5.04 120.40 118.24 1klv s VAL 114 Ca 0.10 -1.61 -0.37 0.00 -2.93 0.00 0.00 61.98 57.17 1klv s VAL 114 Cb 0.16 -2.29 -0.18 0.00 -1.53 0.00 0.00 36.38 32.55 1klv s VAL 114 CO -0.06 0.00 1.16 0.00 -3.33 0.00 0.00 175.10 172.87 1klv n TYR 115 N -1.60 1.00 -1.67 1.54 9.36 -1.26 -4.86 117.16 119.67 1klv n TYR 115 Ca -0.05 0.84 0.00 0.00 3.32 0.00 0.00 57.90 62.01 1klv n TYR 115 Cb 0.65 -2.20 0.00 0.00 -0.63 0.00 0.00 39.34 37.16 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 1.99 2.12 0.63 2.98 0.00 -1.26 -5.24 105.19 106.41 1klv n GLY 116 Ca 0.19 -0.41 0.13 0.00 0.00 0.00 0.00 46.02 45.93 1klv n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36