#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 0.00 1.61 4.39 -2.06 0.41 114.58 119.03 1klv h GLU 19 Ca 0.00 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1klv h GLU 19 Cb 0.00 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1klv h GLU 19 CO 0.00 0.07 -0.46 -0.22 -1.16 0.00 0.00 179.01 177.23 1klv h LYS 20 N 0.10 0.00 0.00 2.33 3.64 -2.04 -2.77 116.57 117.83 1klv h LYS 20 Ca 0.38 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.73 1klv h LYS 20 Cb 0.65 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1klv h LYS 20 CO -0.63 0.46 -0.13 0.82 -2.27 0.00 0.00 179.45 177.71 1klv h ILE 21 N 0.00 0.33 0.19 2.00 5.03 -0.66 -2.44 117.51 121.96 1klv h ILE 21 Ca -0.00 -0.85 -0.32 0.00 -0.12 0.00 0.00 64.86 63.56 1klv h ILE 21 Cb 0.94 1.64 0.02 0.00 -3.03 0.00 0.00 36.82 36.39 1klv h ILE 21 CO 0.06 0.13 -1.57 -0.09 -0.68 0.00 0.00 178.15 176.00 1klv h ARG 22 N 0.00 0.40 -0.60 2.37 9.65 -0.91 -0.48 114.38 124.81 1klv h ARG 22 Ca -0.00 -0.69 -0.02 0.00 -1.10 0.00 0.00 59.98 58.17 1klv h ARG 22 Cb 0.63 0.26 -0.03 0.00 -1.39 0.00 0.00 29.97 29.44 1klv h ARG 22 CO 0.02 1.33 0.29 0.87 2.80 0.00 0.00 179.97 185.28 1klv h LYS 23 N 0.01 0.87 0.07 0.20 1.57 -1.41 -2.76 116.57 115.11 1klv h LYS 23 Ca -0.30 -0.13 -0.29 0.00 -1.87 0.00 0.00 60.65 58.06 1klv h LYS 23 Cb 2.03 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 34.16 1klv h LYS 23 CO 0.18 0.70 -1.54 1.57 -0.57 0.00 0.00 179.45 179.79 1klv h LYS 24 N 0.82 0.14 -2.46 3.15 2.10 -1.56 -3.38 116.57 115.38 1klv h LYS 24 Ca 0.21 -0.25 -0.68 0.00 -2.00 0.00 0.00 60.65 57.93 1klv h LYS 24 Cb 0.12 0.09 -0.37 0.00 -0.90 0.00 0.00 32.23 31.17 1klv h LYS 24 CO -0.03 0.94 -0.07 0.66 -2.00 0.00 0.00 179.45 178.95 1klv n TYR 25 N -3.33 3.13 0.99 0.07 4.01 -0.19 -4.82 117.16 117.02 1klv n TYR 25 Ca -0.15 -3.55 0.08 0.00 -0.16 0.00 0.00 57.90 54.11 1klv n TYR 25 Cb 1.03 -0.82 0.48 0.00 -0.31 0.00 0.00 39.34 39.72 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 0.99 0.48 -0.13 -0.72 -0.04 -1.05 -2.43 135.00 132.10 1klv n PRO 26 Ca 0.29 0.02 0.10 0.00 -0.04 0.00 0.00 63.50 63.86 1klv n PRO 26 Cb 0.38 -1.50 0.15 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 -1.04 2.31 -4.90 3.54 2.03 -1.26 -5.05 116.55 112.18 1klv n ASP 27 Ca 0.12 -3.18 -0.21 0.00 0.52 0.00 0.00 54.79 52.04 1klv n ASP 27 Cb 0.07 -0.44 0.06 0.00 -0.72 0.00 0.00 41.12 40.09 1klv n ASP 27 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1klv s ARG 28 N -2.92 2.24 -0.25 -0.67 3.03 -1.02 -1.71 118.95 117.65 1klv s ARG 28 Ca 0.33 -1.23 -0.03 0.00 2.03 0.00 0.00 55.73 56.83 1klv s ARG 28 Cb 0.29 -2.53 0.10 0.00 -1.03 0.00 0.00 34.95 31.78 1klv s ARG 28 CO 0.02 -0.92 0.18 0.08 -1.13 0.00 0.00 175.30 173.53 1klv s VAL 29 N -2.78 -0.20 -0.96 4.99 1.01 0.18 -4.56 120.40 118.08 1klv s VAL 29 Ca 0.61 -0.45 -0.24 0.00 0.00 0.00 0.00 61.98 61.90 1klv s VAL 29 Cb -0.07 -0.84 0.02 0.00 0.00 0.00 0.00 36.38 35.49 1klv s VAL 29 CO 0.40 -0.48 1.59 -2.16 0.00 0.00 0.00 175.10 174.45 1klv s PRO 30 N 2.21 3.26 0.33 2.72 0.04 -1.26 -2.67 135.00 139.62 1klv s PRO 30 Ca 0.07 -0.80 -0.09 0.00 0.04 0.00 0.00 61.00 60.22 1klv s PRO 30 Cb -0.15 -5.19 -0.07 0.00 0.04 0.00 0.00 34.50 29.13 1klv s PRO 30 CO -0.25 -2.55 0.67 0.14 0.04 0.00 0.00 177.00 175.05 1klv s VAL 31 N 6.54 4.86 0.33 -0.36 -7.23 -0.75 -2.65 120.40 121.14 1klv s VAL 31 Ca 0.53 0.49 0.07 0.00 -1.81 0.00 0.00 61.98 61.26 1klv s VAL 31 Cb -0.03 -3.69 -0.02 0.00 0.56 0.00 0.00 36.38 33.20 1klv s VAL 31 CO -0.05 -0.34 0.38 -0.63 -0.31 0.00 0.00 175.10 174.15 1klv s ILE 32 N -2.14 3.82 -0.01 -0.62 1.09 0.26 -1.67 121.20 121.93 1klv s ILE 32 Ca 0.49 -1.18 0.00 0.00 -1.10 0.00 0.00 60.65 58.86 1klv s ILE 32 Cb -0.11 -3.30 0.02 0.00 -1.06 0.00 0.00 42.46 38.01 1klv s ILE 32 CO 0.27 -0.17 0.01 -0.69 -0.10 0.00 0.00 174.94 174.26 1klv s VAL 33 N -2.24 0.03 0.16 2.92 1.01 0.09 -1.99 120.40 120.39 1klv s VAL 33 Ca 0.43 0.10 -0.14 0.00 0.00 0.00 0.00 61.98 62.37 1klv s VAL 33 Cb -0.08 -0.10 0.01 0.00 0.00 0.00 0.00 36.38 36.21 1klv s VAL 33 CO 0.29 0.07 0.39 -0.70 0.00 0.00 0.00 175.10 175.15 1klv s GLU 34 N 0.65 1.21 0.28 2.72 2.12 -0.74 -4.66 118.70 120.28 1klv s GLU 34 Ca -0.06 -0.95 0.02 0.00 0.36 0.00 0.00 54.97 54.34 1klv s GLU 34 Cb -0.08 0.45 -0.03 0.00 0.26 0.00 0.00 34.13 34.72 1klv s GLU 34 CO -0.02 -0.48 0.45 0.21 -0.54 0.00 0.00 175.26 174.89 1klv s LYS 35 N -3.89 3.48 0.60 4.30 2.47 -1.26 -2.26 119.74 123.17 1klv s LYS 35 Ca 0.10 -0.48 -0.10 0.00 -1.56 0.00 0.00 55.97 53.93 1klv s LYS 35 Cb 0.01 -2.78 0.15 0.00 -1.46 0.00 0.00 37.83 33.76 1klv s LYS 35 CO -0.04 0.30 0.42 0.00 0.16 0.00 0.00 175.35 176.19 1klv n ALA 36 N -1.42 -1.95 -2.10 3.13 0.00 -0.90 -4.81 120.51 112.45 1klv n ALA 36 Ca -0.06 -0.69 -0.42 0.00 0.00 0.00 0.00 53.44 52.27 1klv n ALA 36 Cb 0.56 -0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 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 -3.98 3.23 -1.04 0.00 0.04 -1.26 -2.90 135.00 129.09 1klv s PRO 37 Ca 0.30 1.09 -0.05 0.00 0.04 0.00 0.00 61.00 62.38 1klv s PRO 37 Cb -0.04 -4.20 0.01 0.00 0.04 0.00 0.00 34.50 30.31 1klv s PRO 37 CO 0.24 -1.99 0.90 1.63 0.04 0.00 0.00 177.00 177.83 1klv n LYS 38 N 8.53 -6.06 -0.61 4.56 5.02 -1.26 -4.99 118.16 123.35 1klv n LYS 38 Ca 0.20 0.66 -0.31 0.00 -2.02 0.00 0.00 58.31 56.85 1klv n LYS 38 Cb 0.48 -5.18 0.28 0.00 -0.02 0.00 0.00 35.03 30.58 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 -3.26 -0.29 -0.12 7.82 0.00 -1.14 -5.01 121.76 119.76 1klv s ALA 39 Ca 0.34 -0.93 0.15 0.00 0.00 0.00 0.00 51.96 51.52 1klv s ALA 39 Cb -0.15 -2.89 0.30 0.00 0.00 0.00 0.00 23.12 20.38 1klv s ALA 39 CO 0.58 -4.33 1.18 2.89 0.00 0.00 0.00 175.76 176.08 1klv n ARG 40 N -5.40 0.59 -2.23 0.00 1.85 -1.26 -5.01 116.66 105.20 1klv n ARG 40 Ca 0.14 -1.81 -0.27 0.00 -1.00 0.00 0.00 57.85 54.91 1klv n ARG 40 Cb 0.60 -0.06 0.15 0.00 -1.05 0.00 0.00 32.46 32.11 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 -0.68 2.05 0.28 8.89 -5.25 -1.26 -4.96 121.20 120.26 1klv s ILE 41 Ca 0.17 -0.27 -0.04 0.00 -0.99 0.00 0.00 60.65 59.53 1klv s ILE 41 Cb 0.27 -2.78 0.06 0.00 2.95 0.00 0.00 42.46 42.95 1klv s ILE 41 CO -0.08 0.00 0.13 0.61 -1.79 0.00 0.00 174.94 173.80 1klv n GLY 42 N -3.36 -1.99 3.94 6.27 0.00 -0.40 -4.97 105.19 104.67 1klv n GLY 42 Ca 0.15 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 1klv n GLY 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1klv s ASP 43 N -1.68 2.91 -0.03 1.61 -1.08 -1.26 -4.73 116.67 112.42 1klv s ASP 43 Ca 0.10 0.16 0.01 0.00 -0.52 0.00 0.00 52.55 52.30 1klv s ASP 43 Cb -0.02 -0.14 0.01 0.00 -1.46 0.00 0.00 42.92 41.32 1klv s ASP 43 CO 0.08 -2.85 -0.05 -1.48 0.52 0.00 0.00 175.17 171.39 1klv s LEU 44 N -5.92 1.61 -0.04 -1.34 0.05 -1.25 -3.88 118.68 107.91 1klv s LEU 44 Ca 0.76 -0.11 -0.04 0.00 0.05 0.00 0.00 54.13 54.79 1klv s LEU 44 Cb -0.03 -0.37 -0.28 0.00 -2.05 0.00 0.00 46.19 43.46 1klv s LEU 44 CO 0.53 -0.00 0.69 -0.78 -0.55 0.00 0.00 176.35 176.24 1klv h ASP 45 N 6.67 0.41 -5.09 1.48 1.82 -1.93 -3.48 116.42 116.29 1klv h ASP 45 Ca -0.35 -0.66 -0.06 0.00 -0.39 0.00 0.00 57.03 55.57 1klv h ASP 45 Cb 1.17 -0.13 -0.13 0.00 0.68 0.00 0.00 39.33 40.91 1klv h ASP 45 CO 0.49 1.56 -0.12 -1.59 -1.61 0.00 0.00 179.24 177.97 1klv s LYS 46 N -2.59 1.05 -0.32 0.28 0.00 -1.26 -5.06 119.74 111.83 1klv s LYS 46 Ca -0.13 -0.76 0.06 0.00 0.00 0.00 0.00 55.97 55.14 1klv s LYS 46 Cb 0.07 0.45 0.46 0.00 0.00 0.00 0.00 37.83 38.80 1klv s LYS 46 CO 0.83 -0.40 1.26 1.63 0.00 0.00 0.00 175.35 178.67 1klv n LYS 47 N -0.20 3.53 -3.22 1.78 4.01 -1.26 -4.90 118.16 117.89 1klv n LYS 47 Ca -0.16 -4.09 -0.01 0.00 -0.51 0.00 0.00 58.31 53.54 1klv n LYS 47 Cb 0.63 -2.28 -0.04 0.00 -0.51 0.00 0.00 35.03 32.84 1klv n LYS 47 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1klv s LYS 48 N -3.62 0.49 -0.07 1.97 1.02 -1.26 -0.73 119.74 117.54 1klv s LYS 48 Ca 0.52 0.78 -0.03 0.00 0.02 0.00 0.00 55.97 57.26 1klv s LYS 48 Cb 0.42 0.15 -0.04 0.00 -0.52 0.00 0.00 37.83 37.84 1klv s LYS 48 CO 0.04 -0.67 0.08 0.71 -0.92 0.00 0.00 175.35 174.58 1klv s TYR 49 N 2.74 3.36 -0.43 3.18 1.51 -0.67 -4.94 117.35 122.09 1klv s TYR 49 Ca 0.17 0.31 -0.10 0.00 -1.01 0.00 0.00 57.07 56.44 1klv s TYR 49 Cb -0.15 -1.82 0.08 0.00 -0.11 0.00 0.00 41.96 39.96 1klv s TYR 49 CO -0.20 0.59 0.29 -1.17 -1.11 0.00 0.00 175.55 173.95 1klv s LEU 50 N -1.23 5.25 0.02 -1.29 2.96 -1.26 -1.82 118.68 121.31 1klv s LEU 50 Ca 0.17 -1.48 0.04 0.00 -0.22 0.00 0.00 54.13 52.64 1klv s LEU 50 Cb -0.12 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 1klv s LEU 50 CO 0.07 -0.56 -0.12 0.68 -1.32 0.00 0.00 176.35 175.10 1klv s VAL 51 N 1.46 0.91 0.42 1.68 -7.23 -1.09 -4.92 120.40 111.64 1klv s VAL 51 Ca 0.03 -0.80 -0.25 0.00 -1.81 0.00 0.00 61.98 59.16 1klv s VAL 51 Cb -0.23 -0.82 -0.08 0.00 0.56 0.00 0.00 36.38 35.81 1klv s VAL 51 CO 0.03 0.03 1.26 -2.16 -0.31 0.00 0.00 175.10 173.94 1klv s PRO 52 N -0.87 3.88 0.28 4.82 0.04 -1.26 0.51 135.00 142.40 1klv s PRO 52 Ca 0.01 2.03 0.20 0.00 0.04 0.00 0.00 61.00 63.28 1klv s PRO 52 Cb -0.07 -2.64 1.03 0.00 0.04 0.00 0.00 34.50 32.86 1klv s PRO 52 CO 0.01 -0.52 1.60 0.43 0.04 0.00 0.00 177.00 178.55 1klv n SER 53 N -0.08 0.51 0.09 6.66 7.64 -0.70 -1.54 113.62 126.21 1klv n SER 53 Ca 0.05 0.72 0.12 0.00 1.01 0.00 0.00 58.87 60.78 1klv n SER 53 Cb 0.45 -0.80 0.28 0.00 -1.01 0.00 0.00 64.21 63.14 1klv n SER 53 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1klv h ASP 54 N 0.00 0.00 -4.01 6.43 1.82 -1.90 -0.67 116.42 118.08 1klv h ASP 54 Ca 0.00 -0.09 -0.54 0.00 -0.39 0.00 0.00 57.03 56.01 1klv h ASP 54 Cb 0.05 0.00 0.12 0.00 0.68 0.00 0.00 39.33 40.18 1klv h ASP 54 CO 0.00 0.04 0.62 -0.76 -1.61 0.00 0.00 179.24 177.54 1klv s LEU 55 N -4.54 3.99 0.53 2.28 1.43 -0.59 -4.87 118.68 116.91 1klv s LEU 55 Ca 0.08 2.75 -0.02 0.00 -1.03 0.00 0.00 54.13 55.92 1klv s LEU 55 Cb 0.12 -4.12 0.01 0.00 0.03 0.00 0.00 46.19 42.23 1klv s LEU 55 CO 0.66 -1.30 0.78 0.42 0.23 0.00 0.00 176.35 177.14 1klv s THR 56 N -1.29 3.55 0.56 5.49 -4.23 -1.26 -1.35 115.64 117.11 1klv s THR 56 Ca 0.66 -0.37 0.26 0.00 -1.18 0.00 0.00 61.69 61.06 1klv s THR 56 Cb -0.40 -3.35 0.33 0.00 1.34 0.00 0.00 72.50 70.42 1klv s THR 56 CO 0.49 -0.29 2.22 0.58 -0.54 0.00 0.00 174.62 177.08 1klv h VAL 57 N 0.11 0.65 -0.51 2.29 2.07 -1.33 -1.94 116.25 117.59 1klv h VAL 57 Ca -0.45 -0.04 -0.09 0.00 0.82 0.00 0.00 66.70 66.93 1klv h VAL 57 Cb 1.27 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1klv h VAL 57 CO 0.57 0.01 -0.05 1.23 0.02 0.00 0.00 177.57 179.36 1klv h GLY 58 N 0.05 1.00 0.63 2.17 0.00 -1.85 -1.20 103.07 103.88 1klv h GLY 58 Ca -0.00 -0.77 -0.00 0.00 0.00 0.00 0.00 47.33 46.55 1klv h GLY 58 CO 0.00 0.71 -0.00 1.46 0.00 0.00 0.00 176.54 178.71 1klv h GLN 59 N 0.79 0.03 -0.38 4.80 4.20 -1.73 -2.73 115.11 120.08 1klv h GLN 59 Ca 0.14 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 1klv h GLN 59 Cb 0.59 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1klv h GLN 59 CO 0.04 0.40 0.22 0.35 -0.67 0.00 0.00 178.83 179.17 1klv h PHE 60 N -0.34 0.49 0.00 2.96 3.57 -1.50 0.10 116.94 122.22 1klv h PHE 60 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 1klv h PHE 60 Cb 0.39 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 1klv h PHE 60 CO 0.06 0.34 -0.14 -0.92 -2.23 0.00 0.00 178.31 175.42 1klv h TYR 61 N 0.52 0.00 0.17 0.41 5.03 -1.03 -2.73 116.97 119.34 1klv h TYR 61 Ca 0.14 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.44 1klv h TYR 61 Cb -0.00 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.28 1klv h TYR 61 CO 0.00 0.14 -0.08 0.35 -1.32 0.00 0.00 178.16 177.25 1klv h PHE 62 N 0.00 -0.22 -0.73 -3.82 3.04 -0.67 -2.56 116.94 111.98 1klv h PHE 62 Ca -0.00 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 61.96 1klv h PHE 62 Cb 0.28 0.07 -0.04 0.00 2.56 0.00 0.00 35.95 38.82 1klv h PHE 62 CO 0.00 0.20 0.48 1.37 -2.02 0.00 0.00 178.31 178.34 1klv h LEU 63 N -0.75 0.81 -0.63 0.59 8.10 -1.33 -2.04 115.31 120.06 1klv h LEU 63 Ca -0.02 -0.02 -0.14 0.00 0.11 0.00 0.00 57.88 57.81 1klv h LEU 63 Cb 0.51 -0.20 -0.01 0.00 -0.44 0.00 0.00 40.66 40.53 1klv h LEU 63 CO 0.04 0.58 -0.49 0.40 -4.11 0.00 0.00 178.44 174.86 1klv h ILE 64 N 0.95 1.32 -0.57 0.15 2.04 -1.54 -3.20 117.51 116.66 1klv h ILE 64 Ca 0.28 -1.71 0.05 0.00 1.00 0.00 0.00 64.86 64.48 1klv h ILE 64 Cb -0.05 1.71 -0.07 0.00 -0.74 0.00 0.00 36.82 37.67 1klv h ILE 64 CO -0.07 0.53 -0.34 -1.14 0.00 0.00 0.00 178.15 177.13 1klv n ARG 65 N -3.98 -0.25 0.17 2.37 0.63 -0.77 0.11 116.66 114.95 1klv n ARG 65 Ca -0.02 1.16 0.04 0.00 -0.92 0.00 0.00 57.85 58.11 1klv n ARG 65 Cb 0.56 -1.72 0.45 0.00 0.45 0.00 0.00 32.46 32.21 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 0.11 0.00 -0.14 1.57 -1.65 -1.21 116.57 115.25 1klv h LYS 66 Ca 0.09 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1klv h LYS 66 Cb 0.23 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1klv h LYS 66 CO -0.54 0.27 0.00 0.00 -0.57 0.00 0.00 179.45 178.61 1klv h ARG 67 N 0.11 0.00 -0.54 3.15 2.47 0.86 -1.61 114.38 118.81 1klv h ARG 67 Ca 0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1klv h ARG 67 Cb 0.34 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 1klv h ARG 67 CO 0.02 0.00 0.00 -0.89 0.56 0.00 0.00 179.97 179.66 1klv n ILE 68 N -2.74 1.87 -2.59 2.04 5.41 0.60 -3.77 119.36 120.18 1klv n ILE 68 Ca 0.00 -1.30 -0.09 0.00 1.00 0.00 0.00 62.75 62.37 1klv n ILE 68 Cb 0.22 0.09 -0.00 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 0.75 -1.69 -4.16 1.39 -0.00 -0.61 -1.28 115.22 109.63 1klv n HIS 69 Ca 0.23 0.05 -0.26 0.00 0.46 0.00 0.00 57.72 58.21 1klv n HIS 69 Cb 0.85 -2.00 -0.07 0.00 -0.12 0.00 0.00 29.99 28.66 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 -5.46 3.51 0.00 0.27 0.05 -1.15 -4.64 118.68 111.26 1klv s LEU 70 Ca 0.05 -0.30 0.00 0.00 0.05 0.00 0.00 54.13 53.93 1klv s LEU 70 Cb -0.03 -2.13 0.00 0.00 -2.05 0.00 0.00 46.19 41.98 1klv s LEU 70 CO 0.06 0.07 0.00 -2.11 -0.55 0.00 0.00 176.35 173.82 1klv n ARG 71 N -0.29 0.00 0.00 1.48 1.85 -1.26 -4.49 116.66 113.95 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 0.55 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.96 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 -2.74 2.89 0.00 -1.26 -1.48 120.51 114.92 1klv n ALA 72 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1klv n ALA 72 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 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 -5.12 120.64 115.04 1klv n GLU 73 Ca 0.00 -2.80 -0.30 0.00 -0.16 0.00 0.00 57.16 53.90 1klv n GLU 73 Cb 0.00 -0.92 0.24 0.00 1.43 0.00 0.00 31.44 32.19 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 -2.77 0.67 -0.11 -1.84 -1.08 -0.55 -5.02 116.67 105.98 1klv s ASP 74 Ca 0.23 0.78 -0.06 0.00 -0.52 0.00 0.00 52.55 52.98 1klv s ASP 74 Cb 0.40 -1.13 -0.04 0.00 -1.46 0.00 0.00 42.92 40.69 1klv s ASP 74 CO -0.04 -4.29 0.13 0.00 0.52 0.00 0.00 175.17 171.48 1klv s ALA 75 N -2.82 3.81 -0.06 3.66 0.00 -1.26 -4.98 121.76 120.11 1klv s ALA 75 Ca 0.70 -0.67 -0.29 0.00 0.00 0.00 0.00 51.96 51.69 1klv s ALA 75 Cb -0.12 -1.90 0.10 0.00 0.00 0.00 0.00 23.12 21.19 1klv s ALA 75 CO 0.57 0.63 0.82 -1.17 0.00 0.00 0.00 175.76 176.60 1klv s LEU 76 N -1.09 -0.50 -0.28 0.00 2.96 -1.25 -4.51 118.68 114.00 1klv s LEU 76 Ca 0.16 0.42 -0.09 0.00 -0.22 0.00 0.00 54.13 54.39 1klv s LEU 76 Cb -0.12 2.23 0.12 0.00 0.50 0.00 0.00 46.19 48.92 1klv s LEU 76 CO 0.05 -0.56 0.61 -0.36 -1.32 0.00 0.00 176.35 174.77 1klv s PHE 77 N -1.75 -1.25 -0.01 5.38 0.08 -0.54 -4.91 117.98 114.99 1klv s PHE 77 Ca -0.04 2.17 -0.24 0.00 0.12 0.00 0.00 56.93 58.94 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 0.02 -0.64 0.74 -0.06 -0.10 0.00 0.00 175.22 175.17 1klv s PHE 78 N 2.84 3.66 -0.17 0.36 0.08 -1.26 -1.94 117.98 121.55 1klv s PHE 78 Ca -0.04 1.37 0.01 0.00 0.12 0.00 0.00 56.93 58.39 1klv s PHE 78 Cb -0.12 -2.81 0.02 0.00 -0.57 0.00 0.00 43.02 39.54 1klv s PHE 78 CO -0.18 0.19 -0.20 -0.06 -0.10 0.00 0.00 175.22 174.87 1klv s PHE 79 N 0.34 2.73 -0.13 0.36 0.08 -0.39 -4.67 117.98 116.30 1klv s PHE 79 Ca 0.38 -1.60 0.03 0.00 0.12 0.00 0.00 56.93 55.86 1klv s PHE 79 Cb -0.19 -1.89 0.01 0.00 -0.57 0.00 0.00 43.02 40.38 1klv s PHE 79 CO 0.21 -0.78 -0.21 0.08 -0.10 0.00 0.00 175.22 174.41 1klv s VAL 80 N 1.26 1.96 -1.52 -0.44 1.01 -0.77 -2.36 120.40 119.53 1klv s VAL 80 Ca 0.04 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 61.03 1klv s VAL 80 Cb -0.13 -1.73 0.06 0.00 0.00 0.00 0.00 36.38 34.57 1klv s VAL 80 CO -0.12 0.53 0.52 0.59 0.00 0.00 0.00 175.10 176.62 1klv n ASN 81 N 4.00 -1.29 -3.31 3.32 5.03 -1.26 0.02 115.26 121.77 1klv n ASN 81 Ca -0.20 -1.03 -0.24 0.00 0.87 0.00 0.00 54.58 53.99 1klv n ASN 81 Cb 0.52 -2.85 0.04 0.00 -1.02 0.00 0.00 39.78 36.47 1klv n ASN 81 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1klv n ASN 82 N -2.87 -5.83 -4.26 6.41 5.03 -1.26 -4.98 115.26 107.50 1klv n ASN 82 Ca -0.18 -0.42 -0.14 0.00 0.87 0.00 0.00 54.58 54.71 1klv n ASN 82 Cb 0.62 -4.68 -0.10 0.00 -1.02 0.00 0.00 39.78 34.60 1klv n ASN 82 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1klv s VAL 83 N -3.21 0.47 -0.47 2.41 1.01 0.10 -5.10 120.40 115.62 1klv s VAL 83 Ca 0.43 -1.98 0.06 0.00 0.00 0.00 0.00 61.98 60.49 1klv s VAL 83 Cb -0.20 -2.38 0.24 0.00 0.00 0.00 0.00 36.38 34.04 1klv s VAL 83 CO 0.54 -0.21 0.80 -0.38 0.00 0.00 0.00 175.10 175.85 1klv n ILE 84 N -0.32 -0.17 -1.48 2.22 -0.00 -1.26 -1.85 119.36 116.49 1klv n ILE 84 Ca -0.02 -2.10 -0.30 0.00 -0.00 0.00 0.00 62.75 60.32 1klv n ILE 84 Cb 0.65 0.67 0.09 0.00 -0.00 0.00 0.00 39.64 41.05 1klv n ILE 84 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1klv s PRO 85 N 0.25 2.13 1.01 0.38 0.04 -1.26 -5.05 135.00 132.49 1klv s PRO 85 Ca 0.33 0.76 -0.17 0.00 0.04 0.00 0.00 61.00 61.96 1klv s PRO 85 Cb 0.21 -1.91 0.24 0.00 0.04 0.00 0.00 34.50 33.09 1klv s PRO 85 CO -0.22 -1.62 1.03 -0.35 0.04 0.00 0.00 177.00 175.89 1klv n PRO 86 N -3.45 -2.29 -0.31 0.56 -0.04 -1.26 -4.91 135.00 123.29 1klv n PRO 86 Ca 0.07 -1.63 0.02 0.00 -0.04 0.00 0.00 63.50 61.92 1klv n PRO 86 Cb 0.55 -1.36 0.13 0.00 -0.04 0.00 0.00 33.50 32.79 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 -4.25 0.97 -0.92 0.52 -2.24 -1.26 -4.25 114.28 102.85 1klv n THR 87 Ca 0.14 -0.48 -0.20 0.00 -2.27 0.00 0.00 64.05 61.24 1klv n THR 87 Cb 0.51 -0.45 0.05 0.00 -2.10 0.00 0.00 70.33 68.35 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 0.20 6.45 -1.42 3.42 7.64 -1.26 -4.23 113.62 124.42 1klv n SER 88 Ca 0.10 -3.18 -0.03 0.00 1.01 0.00 0.00 58.87 56.76 1klv n SER 88 Cb 0.59 -1.02 -0.01 0.00 -1.01 0.00 0.00 64.21 62.76 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 0.06 0.01 -2.89 -0.43 0.00 -1.26 -5.04 120.51 110.96 1klv n ALA 89 Ca 0.36 -0.36 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 1klv n ALA 89 Cb 0.64 0.29 -0.13 0.00 0.00 0.00 0.00 19.45 20.24 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 -2.42 0.08 0.26 0.00 -4.23 -1.26 -1.21 115.64 106.86 1klv s THR 90 Ca 0.07 -0.30 -0.03 0.00 -1.18 0.00 0.00 61.69 60.24 1klv s THR 90 Cb 0.00 -0.13 0.29 0.00 1.34 0.00 0.00 72.50 74.00 1klv s THR 90 CO 0.05 -0.14 1.64 0.24 -0.54 0.00 0.00 174.62 175.87 1klv h MET 91 N 5.67 0.15 -0.65 3.99 2.86 -1.39 0.72 114.93 126.28 1klv h MET 91 Ca -0.27 -0.01 0.14 0.00 -2.06 0.00 0.00 59.70 57.50 1klv h MET 91 Cb 1.21 -0.03 -0.12 0.00 0.06 0.00 0.00 31.60 32.72 1klv h MET 91 CO 0.48 0.10 -0.06 0.78 1.06 0.00 0.00 176.91 179.27 1klv h GLY 92 N 0.16 0.62 1.83 8.32 0.00 -1.29 0.28 103.07 112.98 1klv h GLY 92 Ca 0.47 0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.88 1klv h GLY 92 CO -0.65 -0.23 -0.14 0.06 0.00 0.00 0.00 176.54 175.57 1klv h GLN 93 N 0.07 0.21 0.00 4.80 3.07 -1.01 -1.74 115.11 120.51 1klv h GLN 93 Ca 0.33 -0.05 -0.02 0.00 0.09 0.00 0.00 58.65 59.01 1klv h GLN 93 Cb 0.54 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.07 1klv h GLN 93 CO -0.60 0.36 -0.10 1.37 0.09 0.00 0.00 178.83 179.95 1klv h LEU 94 N 0.20 0.00 -0.28 0.06 8.10 -0.09 -3.19 115.31 120.11 1klv h LEU 94 Ca 0.04 0.00 0.06 0.00 0.11 0.00 0.00 57.88 58.09 1klv h LEU 94 Cb 0.38 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.52 1klv h LEU 94 CO 0.02 0.10 -0.36 0.22 -4.11 0.00 0.00 178.44 174.31 1klv h TYR 95 N 0.00 -1.01 0.00 0.17 3.20 -0.57 0.28 116.97 119.04 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 0.50 0.48 0.00 0.00 1.54 0.00 0.00 36.73 39.26 1klv h TYR 95 CO 0.00 -0.41 0.00 0.37 -1.64 0.00 0.00 178.16 176.48 1klv h GLN 96 N -0.35 0.00 0.00 1.82 -0.00 -1.73 -3.07 115.11 111.79 1klv h GLN 96 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.78 1klv h GLN 96 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.04 1klv h GLN 96 CO -0.47 0.00 -0.19 0.93 0.00 0.00 0.00 178.83 179.10 1klv h GLU 97 N 0.00 0.00 -1.06 1.69 3.07 -0.62 -3.40 114.58 114.25 1klv h GLU 97 Ca 0.00 0.00 -0.58 0.00 -0.50 0.00 0.00 59.36 58.28 1klv h GLU 97 Cb 0.44 0.00 -0.27 0.00 -0.84 0.00 0.00 28.75 28.08 1klv h GLU 97 CO 0.00 0.00 0.75 0.72 -1.40 0.00 0.00 179.01 179.08 1klv n HIS 98 N -3.48 2.92 -1.32 4.33 8.25 0.13 -4.98 115.22 121.06 1klv n HIS 98 Ca -0.03 -2.56 -0.29 0.00 -0.26 0.00 0.00 57.72 54.58 1klv n HIS 98 Cb 0.10 -1.25 0.16 0.00 1.12 0.00 0.00 29.99 30.12 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 -3.36 2.30 -0.13 4.41 -3.43 -1.16 -2.64 115.29 111.28 1klv s HIS 99 Ca 0.57 0.96 0.11 0.00 -0.80 0.00 0.00 55.06 55.91 1klv s HIS 99 Cb 0.46 -3.30 0.26 0.00 -1.43 0.00 0.00 32.58 28.57 1klv s HIS 99 CO 0.02 -2.62 1.20 -0.85 -2.00 0.00 0.00 174.74 170.49 1klv n GLU 100 N -3.98 0.61 0.00 -0.38 0.28 -0.77 -4.81 120.64 111.59 1klv n GLU 100 Ca 0.06 -1.57 0.00 0.00 -0.16 0.00 0.00 57.16 55.49 1klv n GLU 100 Cb 0.58 0.12 0.00 0.00 1.43 0.00 0.00 31.44 33.56 1klv n GLU 100 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1klv n GLU 101 N -0.42 0.00 0.00 3.44 2.13 -1.26 -4.97 120.64 119.56 1klv n GLU 101 Ca -0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.68 1klv n GLU 101 Cb 0.85 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.56 1klv n GLU 101 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1klv n ASP 102 N 0.00 0.00 -2.75 4.31 8.00 -1.26 -4.97 116.55 119.88 1klv n ASP 102 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.46 1klv n ASP 102 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.16 1klv n ASP 102 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1klv n PHE 103 N -1.49 0.47 -3.69 1.24 -1.74 -1.26 -5.08 117.46 105.91 1klv n PHE 103 Ca 0.00 -2.28 -0.10 0.00 -0.56 0.00 0.00 57.45 54.51 1klv n PHE 103 Cb 0.00 0.11 -0.10 0.00 1.52 0.00 0.00 39.48 41.01 1klv n PHE 103 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 1klv s PHE 104 N -2.72 -0.68 0.36 2.97 0.08 -1.26 -4.62 117.98 112.11 1klv s PHE 104 Ca 0.24 1.43 0.08 0.00 0.12 0.00 0.00 56.93 58.80 1klv s PHE 104 Cb 0.39 0.33 -0.04 0.00 -0.57 0.00 0.00 43.02 43.12 1klv s PHE 104 CO -0.03 -0.37 0.16 -0.48 -0.10 0.00 0.00 175.22 174.40 1klv s LEU 105 N 1.39 3.21 -0.07 -0.37 0.05 -1.08 -1.85 118.68 119.95 1klv s LEU 105 Ca -0.09 -0.87 0.04 0.00 0.05 0.00 0.00 54.13 53.25 1klv s LEU 105 Cb -0.08 -1.64 0.00 0.00 -2.05 0.00 0.00 46.19 42.42 1klv s LEU 105 CO -0.13 -0.38 -0.18 -0.31 -0.55 0.00 0.00 176.35 174.79 1klv s TYR 106 N -2.48 1.97 0.01 3.48 1.51 -1.08 -0.58 117.35 120.17 1klv s TYR 106 Ca 0.39 -0.72 0.01 0.00 -1.01 0.00 0.00 57.07 55.74 1klv s TYR 106 Cb -0.01 -1.35 -0.01 0.00 -0.11 0.00 0.00 41.96 40.49 1klv s TYR 106 CO 0.23 -0.30 -0.03 0.42 -1.11 0.00 0.00 175.55 174.76 1klv s ILE 107 N 0.35 0.18 0.32 2.71 1.01 -0.84 -4.32 121.20 120.61 1klv s ILE 107 Ca -0.13 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.18 1klv s ILE 107 Cb -0.15 -0.21 -0.03 0.00 0.01 0.00 0.00 42.46 42.07 1klv s ILE 107 CO 0.05 -0.13 0.19 0.00 0.00 0.00 0.00 174.94 175.05 1klv s ALA 108 N -0.52 1.99 0.16 9.38 0.00 -1.00 -1.79 121.76 129.99 1klv s ALA 108 Ca -0.04 -1.78 -0.12 0.00 0.00 0.00 0.00 51.96 50.02 1klv s ALA 108 Cb -0.04 1.22 0.00 0.00 0.00 0.00 0.00 23.12 24.31 1klv s ALA 108 CO -0.00 -0.54 0.34 1.52 0.00 0.00 0.00 175.76 177.08 1klv s TYR 109 N -3.55 0.20 0.31 0.00 1.13 -0.96 -1.26 117.35 113.22 1klv s TYR 109 Ca 0.36 -0.57 -0.05 0.00 -1.41 0.00 0.00 57.07 55.40 1klv s TYR 109 Cb 0.04 0.08 0.02 0.00 -1.10 0.00 0.00 41.96 41.00 1klv s TYR 109 CO 0.20 -0.75 0.49 0.45 -2.51 0.00 0.00 175.55 173.43 1klv n SER 110 N -0.23 -1.40 0.02 -0.18 2.88 -0.82 -2.12 113.62 111.77 1klv n SER 110 Ca -0.09 -2.50 0.11 0.00 -1.33 0.00 0.00 58.87 55.06 1klv n SER 110 Cb 0.63 2.48 0.00 0.00 -0.75 0.00 0.00 64.21 66.57 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 -1.61 0.63 -3.60 -3.46 5.75 -1.26 -1.46 116.55 111.52 1klv n ASP 111 Ca -0.02 -0.33 -0.07 0.00 -0.01 0.00 0.00 54.79 54.36 1klv n ASP 111 Cb 0.49 0.87 -0.05 0.00 -1.03 0.00 0.00 41.12 41.41 1klv n ASP 111 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1klv s GLU 112 N -3.17 0.38 -0.45 0.11 -6.30 -1.26 -4.14 118.70 103.88 1klv s GLU 112 Ca 0.04 0.08 0.04 0.00 -2.50 0.00 0.00 54.97 52.63 1klv s GLU 112 Cb 0.15 0.18 0.58 0.00 0.00 0.00 0.00 34.13 35.04 1klv s GLU 112 CO 0.81 -0.12 1.81 -1.13 0.02 0.00 0.00 175.26 176.65 1klv n SER 113 N 0.61 4.22 -5.00 -1.70 3.41 -1.26 -4.98 113.62 108.92 1klv n SER 113 Ca -0.06 -3.69 -0.18 0.00 -0.26 0.00 0.00 58.87 54.68 1klv n SER 113 Cb 0.58 -0.80 0.03 0.00 -0.26 0.00 0.00 64.21 63.76 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 -3.63 2.74 0.22 -3.33 0.11 -1.26 -5.12 120.40 110.12 1klv s VAL 114 Ca 0.55 -0.95 0.11 0.00 -2.93 0.00 0.00 61.98 58.76 1klv s VAL 114 Cb 0.47 -2.78 -0.05 0.00 -1.53 0.00 0.00 36.38 32.49 1klv s VAL 114 CO 0.06 0.00 -0.23 -0.47 -3.33 0.00 0.00 175.10 171.13 1klv s TYR 115 N -2.49 2.27 0.00 1.54 5.04 -1.26 -5.15 117.35 117.30 1klv s TYR 115 Ca 0.57 -0.36 0.00 0.00 -2.44 0.00 0.00 57.07 54.84 1klv s TYR 115 Cb -0.09 -1.09 0.00 0.00 0.35 0.00 0.00 41.96 41.13 1klv s TYR 115 CO 0.35 0.55 0.00 0.41 -1.34 0.00 0.00 175.55 175.52 1klv n GLY 116 N 0.03 1.77 0.00 8.97 0.00 -1.26 -5.29 105.19 109.41 1klv n GLY 116 Ca -0.11 -1.87 0.02 0.00 0.00 0.00 0.00 46.02 44.06 1klv n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36