#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 -0.38 0.00 1.61 4.81 -2.01 -2.46 114.58 116.15 1klv h GLU 19 Ca 0.00 0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 1klv h GLU 19 Cb 0.00 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1klv h GLU 19 CO 0.00 -0.15 -0.51 -0.22 -0.73 0.00 0.00 179.01 177.40 1klv h LYS 20 N -0.56 0.00 0.00 1.92 1.63 -2.04 -2.94 116.57 114.57 1klv h LYS 20 Ca -0.04 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1klv h LYS 20 Cb 0.41 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1klv h LYS 20 CO 0.07 0.51 0.00 -0.89 -3.45 0.00 0.00 179.45 175.69 1klv n ILE 21 N -3.45 0.92 -0.06 2.00 -0.00 -1.13 -2.85 119.36 114.78 1klv n ILE 21 Ca 0.00 0.34 -0.15 0.00 -0.00 0.00 0.00 62.75 62.94 1klv n ILE 21 Cb 0.64 -1.28 -0.13 0.00 -0.00 0.00 0.00 39.64 38.87 1klv n ILE 21 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.55 176.46 1klv h ARG 22 N 0.00 0.03 -0.68 0.38 1.12 -1.25 -0.04 114.38 113.93 1klv h ARG 22 Ca 0.00 -0.05 0.05 0.00 -1.11 0.00 0.00 59.98 58.88 1klv h ARG 22 Cb 0.27 0.02 -0.05 0.00 -0.01 0.00 0.00 29.97 30.20 1klv h ARG 22 CO 0.00 1.02 0.39 -0.22 -3.11 0.00 0.00 179.97 178.06 1klv h LYS 23 N -0.94 0.71 0.03 0.20 3.64 -1.64 0.38 116.57 118.95 1klv h LYS 23 Ca -0.04 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.07 1klv h LYS 23 Cb 1.09 -0.16 0.02 0.00 -0.41 0.00 0.00 32.23 32.76 1klv h LYS 23 CO -0.00 0.47 -0.88 0.87 -2.27 0.00 0.00 179.45 177.64 1klv h LYS 24 N 0.73 0.55 -2.31 1.90 1.57 -1.65 -3.35 116.57 114.01 1klv h LYS 24 Ca 0.30 -0.63 -0.65 0.00 -1.87 0.00 0.00 60.65 57.80 1klv h LYS 24 Cb 0.15 0.19 -0.38 0.00 0.08 0.00 0.00 32.23 32.27 1klv h LYS 24 CO -0.17 1.24 -0.23 0.66 -0.57 0.00 0.00 179.45 180.39 1klv n TYR 25 N -4.01 3.60 1.05 -1.35 4.01 -0.03 -4.80 117.16 115.63 1klv n TYR 25 Ca -0.11 -3.68 0.10 0.00 -0.16 0.00 0.00 57.90 54.04 1klv n TYR 25 Cb 0.81 -0.69 0.53 0.00 -0.31 0.00 0.00 39.34 39.68 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 0.18 0.42 0.00 -0.72 -0.04 0.13 -2.37 135.00 132.59 1klv n PRO 26 Ca 0.33 0.06 0.10 0.00 -0.04 0.00 0.00 63.50 63.96 1klv n PRO 26 Cb 0.37 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.29 1klv n PRO 26 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1klv n ASP 27 N -1.17 1.69 -2.28 3.54 9.92 -1.26 -4.96 116.55 122.04 1klv n ASP 27 Ca 0.12 -1.35 0.00 0.00 -0.53 0.00 0.00 54.79 53.03 1klv n ASP 27 Cb 0.12 0.62 0.00 0.00 -0.64 0.00 0.00 41.12 41.22 1klv n ASP 27 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1klv n ARG 28 N -0.44 1.20 -3.42 -1.24 3.00 -1.00 -3.83 116.66 110.93 1klv n ARG 28 Ca 0.07 0.00 -0.17 0.00 -0.01 0.00 0.00 57.85 57.75 1klv n ARG 28 Cb 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.77 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 0.24 -0.40 -0.50 1.55 1.01 0.17 -4.45 120.40 118.02 1klv s VAL 29 Ca 0.00 -0.35 -0.28 0.00 0.00 0.00 0.00 61.98 61.35 1klv s VAL 29 Cb 0.00 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.50 1klv s VAL 29 CO 0.00 -0.36 1.49 -2.16 0.00 0.00 0.00 175.10 174.07 1klv s PRO 30 N 2.37 3.33 -0.14 2.72 0.04 -1.26 -2.60 135.00 139.45 1klv s PRO 30 Ca 0.09 0.71 -0.05 0.00 0.04 0.00 0.00 61.00 61.79 1klv s PRO 30 Cb -0.15 -4.12 -0.04 0.00 0.04 0.00 0.00 34.50 30.23 1klv s PRO 30 CO -0.26 -1.89 0.03 0.08 0.04 0.00 0.00 177.00 175.01 1klv s VAL 31 N 6.22 4.52 0.30 -0.36 1.01 -0.66 -2.49 120.40 128.94 1klv s VAL 31 Ca 0.59 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.37 1klv s VAL 31 Cb -0.13 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 1klv s VAL 31 CO 0.28 0.52 0.57 -0.63 0.00 0.00 0.00 175.10 175.84 1klv s ILE 32 N -0.10 5.00 0.02 2.22 -1.09 -0.25 -1.44 121.20 125.56 1klv s ILE 32 Ca 0.05 0.12 0.04 0.00 -2.23 0.00 0.00 60.65 58.63 1klv s ILE 32 Cb -0.12 -3.73 -0.02 0.00 -1.58 0.00 0.00 42.46 37.01 1klv s ILE 32 CO 0.02 -0.33 -0.11 -0.69 -1.23 0.00 0.00 174.94 172.59 1klv s VAL 33 N -2.10 0.87 0.38 2.92 1.01 -0.51 -1.93 120.40 121.04 1klv s VAL 33 Ca 0.45 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 1klv s VAL 33 Cb -0.11 -0.80 0.04 0.00 0.00 0.00 0.00 36.38 35.52 1klv s VAL 33 CO 0.30 0.01 0.69 -0.62 0.00 0.00 0.00 175.10 175.48 1klv n GLU 34 N 2.16 1.00 -4.21 2.72 4.71 -0.31 -4.69 120.64 122.02 1klv n GLU 34 Ca -0.17 -2.35 -0.23 0.00 -0.01 0.00 0.00 57.16 54.40 1klv n GLU 34 Cb 0.55 2.71 -0.06 0.00 -1.01 0.00 0.00 31.44 33.63 1klv n GLU 34 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1klv s LYS 35 N -2.28 2.49 0.70 3.49 2.47 -1.26 -2.18 119.74 123.17 1klv s LYS 35 Ca 0.19 -1.33 -0.12 0.00 -1.56 0.00 0.00 55.97 53.15 1klv s LYS 35 Cb -0.04 -2.28 0.18 0.00 -1.46 0.00 0.00 37.83 34.23 1klv s LYS 35 CO 0.14 0.33 0.51 0.00 0.16 0.00 0.00 175.35 176.50 1klv n ALA 36 N -1.02 -2.27 -2.15 3.13 0.00 -0.97 -4.78 120.51 112.45 1klv n ALA 36 Ca -0.06 -0.82 -0.41 0.00 0.00 0.00 0.00 53.44 52.14 1klv n ALA 36 Cb 0.59 -0.07 -0.03 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 -4.19 3.17 -1.23 0.00 0.04 -1.26 -3.07 135.00 128.45 1klv s PRO 37 Ca 0.36 0.91 -0.08 0.00 0.04 0.00 0.00 61.00 62.23 1klv s PRO 37 Cb -0.05 -4.21 0.01 0.00 0.04 0.00 0.00 34.50 30.29 1klv s PRO 37 CO 0.29 -2.07 1.08 1.63 0.04 0.00 0.00 177.00 177.96 1klv n LYS 38 N 8.63 -7.24 -0.27 4.56 5.02 -1.26 -4.97 118.16 122.62 1klv n LYS 38 Ca 0.19 0.76 -0.28 0.00 -2.02 0.00 0.00 58.31 56.96 1klv n LYS 38 Cb 0.49 -5.60 0.27 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 -4.74 -4.68 -2.42 7.82 0.00 -1.18 -5.00 120.51 110.31 1klv n ALA 39 Ca -0.01 -1.42 -0.01 0.00 0.00 0.00 0.00 53.44 52.00 1klv n ALA 39 Cb 0.56 -0.12 0.02 0.00 0.00 0.00 0.00 19.45 19.90 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 -5.43 0.55 -1.39 0.00 1.85 -1.26 -5.02 116.66 105.97 1klv n ARG 40 Ca 0.13 -1.78 -0.15 0.00 -1.00 0.00 0.00 57.85 55.04 1klv n ARG 40 Cb 0.55 -0.03 0.10 0.00 -1.05 0.00 0.00 32.46 32.03 1klv n ARG 40 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 1klv n ILE 41 N -0.24 0.00 -0.35 8.89 -6.64 -1.26 -4.93 119.36 114.84 1klv n ILE 41 Ca -0.10 -0.72 -0.24 0.00 -1.77 0.00 0.00 62.75 59.92 1klv n ILE 41 Cb 0.89 -1.44 0.23 0.00 -1.44 0.00 0.00 39.64 37.88 1klv n ILE 41 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1klv n GLY 42 N 0.24 -3.28 1.05 3.28 0.00 -1.17 -4.98 105.19 100.34 1klv n GLY 42 Ca 0.10 -1.32 -0.09 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.84 -1.18 -3.92 1.61 2.03 -0.74 -4.76 116.55 105.74 1klv n ASP 43 Ca 0.11 -0.74 -0.18 0.00 0.52 0.00 0.00 54.79 54.49 1klv n ASP 43 Cb 0.47 -0.30 -0.16 0.00 -0.72 0.00 0.00 41.12 40.42 1klv n ASP 43 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1klv s LEU 44 N 0.00 1.60 -0.07 -2.67 0.05 -1.26 -3.73 118.68 112.61 1klv s LEU 44 Ca 0.21 -0.11 -0.10 0.00 0.05 0.00 0.00 54.13 54.18 1klv s LEU 44 Cb -0.02 -0.36 -0.30 0.00 -2.05 0.00 0.00 46.19 43.46 1klv s LEU 44 CO 0.16 -0.00 0.59 -0.78 -0.55 0.00 0.00 176.35 175.77 1klv h ASP 45 N 6.67 0.56 -5.15 1.48 1.82 -1.81 -3.49 116.42 116.51 1klv h ASP 45 Ca -0.35 -0.94 -0.05 0.00 -0.39 0.00 0.00 57.03 55.30 1klv h ASP 45 Cb 1.17 -0.18 -0.11 0.00 0.68 0.00 0.00 39.33 40.88 1klv h ASP 45 CO 0.49 1.80 -0.09 -1.59 -1.61 0.00 0.00 179.24 178.24 1klv s LYS 46 N -2.57 1.30 -0.26 0.28 -2.85 -1.26 -5.06 119.74 109.31 1klv s LYS 46 Ca -0.18 -0.97 0.11 0.00 -1.00 0.00 0.00 55.97 53.94 1klv s LYS 46 Cb 0.06 0.47 0.46 0.00 -2.06 0.00 0.00 37.83 36.76 1klv s LYS 46 CO 0.83 -0.53 1.18 0.36 0.10 0.00 0.00 175.35 177.29 1klv n LYS 47 N -0.29 2.82 -3.18 1.78 0.00 -1.26 -4.91 118.16 113.11 1klv n LYS 47 Ca -0.09 -3.83 0.02 0.00 -0.00 0.00 0.00 58.31 54.40 1klv n LYS 47 Cb 0.63 -1.96 -0.02 0.00 -0.00 0.00 0.00 35.03 33.68 1klv n LYS 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1klv s LYS 48 N -3.44 0.53 0.01 -1.58 -2.85 -1.26 -1.42 119.74 109.74 1klv s LYS 48 Ca 0.44 0.71 -0.00 0.00 -1.00 0.00 0.00 55.97 56.11 1klv s LYS 48 Cb 0.39 0.27 -0.04 0.00 -2.06 0.00 0.00 37.83 36.39 1klv s LYS 48 CO 0.00 -0.83 0.10 0.71 0.10 0.00 0.00 175.35 175.42 1klv s TYR 49 N 2.79 3.31 -0.49 1.78 1.51 -0.52 -4.97 117.35 120.76 1klv s TYR 49 Ca 0.15 0.20 -0.01 0.00 -1.01 0.00 0.00 57.07 56.40 1klv s TYR 49 Cb -0.13 -1.73 0.13 0.00 -0.11 0.00 0.00 41.96 40.12 1klv s TYR 49 CO -0.23 0.56 0.27 -1.17 -1.11 0.00 0.00 175.55 173.87 1klv s LEU 50 N -1.90 5.06 0.17 -1.29 2.96 -1.26 -1.66 118.68 120.76 1klv s LEU 50 Ca 0.25 -2.46 0.11 0.00 -0.22 0.00 0.00 54.13 51.81 1klv s LEU 50 Cb -0.12 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1klv s LEU 50 CO 0.16 -0.42 -0.25 0.68 -1.32 0.00 0.00 176.35 175.21 1klv s VAL 51 N 0.50 2.34 0.51 1.68 -7.23 -1.07 -4.92 120.40 112.22 1klv s VAL 51 Ca 0.13 -1.92 -0.20 0.00 -1.81 0.00 0.00 61.98 58.17 1klv s VAL 51 Cb -0.22 -2.09 -0.07 0.00 0.56 0.00 0.00 36.38 34.56 1klv s VAL 51 CO -0.04 -0.04 1.11 -2.16 -0.31 0.00 0.00 175.10 173.66 1klv s PRO 52 N -2.45 3.54 0.25 4.82 0.04 -1.26 0.42 135.00 140.35 1klv s PRO 52 Ca 0.18 1.56 0.19 0.00 0.04 0.00 0.00 61.00 62.98 1klv s PRO 52 Cb -0.09 -2.09 0.95 0.00 0.04 0.00 0.00 34.50 33.31 1klv s PRO 52 CO 0.09 -0.69 1.59 0.43 0.04 0.00 0.00 177.00 178.46 1klv n SER 53 N -1.09 0.50 0.01 6.66 7.64 -1.25 -1.70 113.62 124.40 1klv n SER 53 Ca 0.10 0.69 0.13 0.00 1.01 0.00 0.00 58.87 60.80 1klv n SER 53 Cb 0.51 -0.77 0.36 0.00 -1.01 0.00 0.00 64.21 63.30 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 -2.12 0.39 -4.77 6.43 -0.08 -1.26 -0.67 116.55 114.46 1klv n ASP 54 Ca 0.00 0.04 -0.40 0.00 -1.51 0.00 0.00 54.79 52.92 1klv n ASP 54 Cb 0.10 -0.02 0.01 0.00 2.34 0.00 0.00 41.12 43.55 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 -3.19 4.21 0.46 -2.67 1.43 -0.69 -4.86 118.68 113.37 1klv s LEU 55 Ca 0.11 2.88 -0.01 0.00 -1.03 0.00 0.00 54.13 56.08 1klv s LEU 55 Cb 0.17 -3.84 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 1klv s LEU 55 CO 0.65 -0.99 0.70 0.42 0.23 0.00 0.00 176.35 177.36 1klv s THR 56 N -1.19 4.26 0.63 5.49 -4.23 -1.26 -1.21 115.64 118.13 1klv s THR 56 Ca 0.57 -0.32 0.36 0.00 -1.18 0.00 0.00 61.69 61.12 1klv s THR 56 Cb -0.43 -3.59 0.39 0.00 1.34 0.00 0.00 72.50 70.21 1klv s THR 56 CO 0.56 -0.46 2.26 0.58 -0.54 0.00 0.00 174.62 177.02 1klv h VAL 57 N 0.35 0.24 -0.33 2.29 2.07 -1.39 -1.37 116.25 118.12 1klv h VAL 57 Ca -0.47 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 66.88 1klv h VAL 57 Cb 1.24 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1klv h VAL 57 CO 0.59 0.00 -0.49 1.23 0.02 0.00 0.00 177.57 178.92 1klv h GLY 58 N 0.00 0.99 0.72 2.17 0.00 -1.85 -1.73 103.07 103.36 1klv h GLY 58 Ca 0.01 -1.10 -0.03 0.00 0.00 0.00 0.00 47.33 46.21 1klv h GLY 58 CO -0.00 0.99 -0.04 1.46 0.00 0.00 0.00 176.54 178.95 1klv h GLN 59 N 0.71 0.22 -0.36 4.80 1.08 -1.63 -3.12 115.11 116.82 1klv h GLN 59 Ca 0.03 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1klv h GLN 59 Cb 1.09 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.49 1klv h GLN 59 CO 0.11 0.55 0.23 0.35 -0.95 0.00 0.00 178.83 179.12 1klv h PHE 60 N -0.11 0.46 -0.26 2.96 3.57 -1.54 -0.58 116.94 121.44 1klv h PHE 60 Ca 0.03 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.61 1klv h PHE 60 Cb 0.47 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1klv h PHE 60 CO 0.06 0.31 0.54 -0.92 -2.23 0.00 0.00 178.31 176.07 1klv h TYR 61 N 0.47 0.00 0.00 0.41 5.03 -1.28 -1.22 116.97 120.39 1klv h TYR 61 Ca 0.13 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.43 1klv h TYR 61 Cb -0.03 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.25 1klv h TYR 61 CO -0.05 0.00 -0.08 0.35 -1.32 0.00 0.00 178.16 177.06 1klv h PHE 62 N 0.00 0.00 0.00 -3.82 3.57 -1.05 -2.68 116.94 112.96 1klv h PHE 62 Ca 0.12 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1klv h PHE 62 Cb 1.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1klv h PHE 62 CO 0.00 0.57 0.01 1.37 -2.23 0.00 0.00 178.31 178.03 1klv h LEU 63 N -1.00 0.00 0.08 0.59 8.10 -1.02 -2.57 115.31 119.48 1klv h LEU 63 Ca -0.02 0.00 -0.34 0.00 0.11 0.00 0.00 57.88 57.63 1klv h LEU 63 Cb 0.58 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.78 1klv h LEU 63 CO -0.01 0.00 -1.89 -0.38 -4.11 0.00 0.00 178.44 172.05 1klv n ILE 64 N -2.93 1.68 -0.35 0.15 5.41 -0.95 -3.65 119.36 118.72 1klv n ILE 64 Ca -0.03 -0.48 -0.07 0.00 1.00 0.00 0.00 62.75 63.17 1klv n ILE 64 Cb 0.07 -1.79 -0.05 0.00 -0.71 0.00 0.00 39.64 37.16 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 -3.74 -0.33 0.11 0.38 0.63 -0.97 0.14 116.66 112.88 1klv n ARG 65 Ca -0.34 1.28 -0.01 0.00 -0.92 0.00 0.00 57.85 57.86 1klv n ARG 65 Cb 0.94 -1.89 0.24 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 0.19 0.00 -0.14 1.57 -1.76 -2.35 116.57 114.09 1klv h LYS 66 Ca 0.18 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1klv h LYS 66 Cb 0.39 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1klv h LYS 66 CO -0.81 0.58 0.00 0.54 -0.57 0.00 0.00 179.45 179.19 1klv n ARG 67 N -4.03 0.18 0.00 3.15 5.12 0.37 -2.48 116.66 118.98 1klv n ARG 67 Ca -0.02 0.10 0.10 0.00 -1.93 0.00 0.00 57.85 56.11 1klv n ARG 67 Cb 0.47 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.21 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 -1.37 0.00 -2.19 0.55 -0.00 0.19 -2.32 119.36 114.21 1klv n ILE 68 Ca 0.08 -0.06 -0.13 0.00 -0.00 0.00 0.00 62.75 62.64 1klv n ILE 68 Cb 0.21 1.00 -0.01 0.00 -0.00 0.00 0.00 39.64 40.84 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 -1.15 -0.58 -2.75 1.39 -0.00 -1.03 -1.79 115.22 109.30 1klv n HIS 69 Ca 0.05 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 57.97 1klv n HIS 69 Cb 0.36 -2.81 0.00 0.00 -0.12 0.00 0.00 29.99 27.42 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 -3.66 3.64 0.00 0.27 0.05 -1.23 -4.54 118.68 113.21 1klv s LEU 70 Ca 0.00 0.78 0.00 0.00 0.05 0.00 0.00 54.13 54.96 1klv s LEU 70 Cb 0.00 -3.70 0.00 0.00 -2.05 0.00 0.00 46.19 40.44 1klv s LEU 70 CO 0.00 -0.60 0.00 -2.11 -0.55 0.00 0.00 176.35 173.09 1klv n ARG 71 N -2.21 0.00 0.00 1.48 1.85 -1.26 -4.90 116.66 111.62 1klv n ARG 71 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1klv n ARG 71 Cb 0.56 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.97 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 -2.19 2.89 0.00 -1.26 -1.74 120.51 115.21 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 -0.85 0.00 0.00 0.00 177.50 176.65 1klv n GLU 73 N 0.00 0.00 -0.62 0.00 0.28 -1.26 -5.13 120.64 113.91 1klv n GLU 73 Ca 0.00 -1.29 -0.20 0.00 -0.16 0.00 0.00 57.16 55.51 1klv n GLU 73 Cb 0.00 0.20 0.12 0.00 1.43 0.00 0.00 31.44 33.19 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 0.19 -2.78 -4.47 -1.84 -0.08 -0.71 -4.98 116.55 101.88 1klv n ASP 74 Ca -0.11 -0.26 -0.32 0.00 -1.51 0.00 0.00 54.79 52.59 1klv n ASP 74 Cb 0.85 -0.73 -0.13 0.00 2.34 0.00 0.00 41.12 43.45 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 -2.08 2.63 0.01 -1.67 0.00 -1.26 -4.99 121.76 114.40 1klv s ALA 75 Ca 0.34 -1.07 -0.13 0.00 0.00 0.00 0.00 51.96 51.10 1klv s ALA 75 Cb -0.04 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.23 1klv s ALA 75 CO 0.37 0.57 0.28 -1.17 0.00 0.00 0.00 175.76 175.81 1klv s LEU 76 N -1.03 0.97 -0.27 0.00 2.96 -1.25 -4.05 118.68 116.01 1klv s LEU 76 Ca 0.13 -0.05 -0.11 0.00 -0.22 0.00 0.00 54.13 53.88 1klv s LEU 76 Cb -0.11 1.21 0.11 0.00 0.50 0.00 0.00 46.19 47.90 1klv s LEU 76 CO 0.03 -0.49 0.61 -0.36 -1.32 0.00 0.00 176.35 174.81 1klv s PHE 77 N -1.75 -1.15 -0.24 5.38 0.08 0.07 -4.93 117.98 115.43 1klv s PHE 77 Ca -0.11 2.10 -0.24 0.00 0.12 0.00 0.00 56.93 58.80 1klv s PHE 77 Cb -0.04 0.66 -0.01 0.00 -0.57 0.00 0.00 43.02 43.06 1klv s PHE 77 CO 0.01 -0.59 0.82 -0.06 -0.10 0.00 0.00 175.22 175.31 1klv s PHE 78 N 2.48 3.31 -0.23 0.36 0.08 -1.26 -2.24 117.98 120.48 1klv s PHE 78 Ca -0.06 1.13 -0.06 0.00 0.12 0.00 0.00 56.93 58.05 1klv s PHE 78 Cb -0.10 -3.04 -0.03 0.00 -0.57 0.00 0.00 43.02 39.28 1klv s PHE 78 CO -0.18 -0.39 0.04 -0.06 -0.10 0.00 0.00 175.22 174.54 1klv s PHE 79 N 2.79 3.08 -0.12 0.36 0.08 -0.15 -4.62 117.98 119.40 1klv s PHE 79 Ca 0.35 -0.42 0.03 0.00 0.12 0.00 0.00 56.93 57.00 1klv s PHE 79 Cb -0.15 -2.17 0.01 0.00 -0.57 0.00 0.00 43.02 40.13 1klv s PHE 79 CO 0.08 -0.30 -0.21 0.08 -0.10 0.00 0.00 175.22 174.77 1klv s VAL 80 N 1.34 1.92 -1.26 -0.44 1.01 -0.65 -2.63 120.40 119.68 1klv s VAL 80 Ca 0.05 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.05 1klv s VAL 80 Cb -0.15 -1.70 0.05 0.00 0.00 0.00 0.00 36.38 34.58 1klv s VAL 80 CO 0.02 0.52 0.40 -3.20 0.00 0.00 0.00 175.10 172.85 1klv n ASN 81 N 3.97 -4.07 -1.71 3.32 4.05 -1.26 -0.24 115.26 119.32 1klv n ASN 81 Ca -0.20 -0.25 -0.12 0.00 0.45 0.00 0.00 54.58 54.47 1klv n ASN 81 Cb 0.52 -3.37 0.02 0.00 1.23 0.00 0.00 39.78 38.17 1klv n ASN 81 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1klv n ASN 82 N -2.22 -4.00 -4.27 1.20 2.85 -1.26 -5.02 115.26 102.54 1klv n ASN 82 Ca -0.06 -0.15 -0.15 0.00 -0.11 0.00 0.00 54.58 54.12 1klv n ASN 82 Cb 0.57 -2.90 -0.10 0.00 1.24 0.00 0.00 39.78 38.58 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 -2.86 0.59 -0.47 3.44 1.01 0.67 -5.10 120.40 117.69 1klv s VAL 83 Ca 0.16 -1.99 0.06 0.00 0.00 0.00 0.00 61.98 60.21 1klv s VAL 83 Cb -0.07 -2.34 0.24 0.00 0.00 0.00 0.00 36.38 34.21 1klv s VAL 83 CO 0.19 -0.27 0.79 -0.38 0.00 0.00 0.00 175.10 175.43 1klv n ILE 84 N -0.33 -0.19 -1.42 2.22 -0.00 -1.26 -1.64 119.36 116.75 1klv n ILE 84 Ca -0.04 -2.10 -0.30 0.00 -0.00 0.00 0.00 62.75 60.32 1klv n ILE 84 Cb 0.64 0.61 0.11 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 0.26 1.68 1.05 0.38 0.04 -1.26 -5.05 135.00 132.10 1klv s PRO 85 Ca 0.33 0.68 -0.18 0.00 0.04 0.00 0.00 61.00 61.87 1klv s PRO 85 Cb 0.20 -1.87 0.26 0.00 0.04 0.00 0.00 34.50 33.13 1klv s PRO 85 CO -0.21 -1.91 1.07 -0.35 0.04 0.00 0.00 177.00 175.64 1klv n PRO 86 N -3.64 -2.42 -0.26 0.56 -0.04 -1.26 -4.91 135.00 123.03 1klv n PRO 86 Ca 0.07 -1.69 0.02 0.00 -0.04 0.00 0.00 63.50 61.87 1klv n PRO 86 Cb 0.56 -1.42 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 -4.36 0.81 -0.98 0.52 -2.24 -1.26 -4.23 114.28 102.54 1klv n THR 87 Ca 0.14 -0.42 -0.20 0.00 -2.27 0.00 0.00 64.05 61.31 1klv n THR 87 Cb 0.54 -0.41 0.04 0.00 -2.10 0.00 0.00 70.33 68.39 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 6.65 -1.62 3.42 7.64 -1.26 -4.19 113.62 124.45 1klv n SER 88 Ca 0.08 -3.18 -0.05 0.00 1.01 0.00 0.00 58.87 56.74 1klv n SER 88 Cb 0.52 -1.06 -0.01 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 0.19 0.01 -2.96 -0.43 0.00 -1.26 -5.04 120.51 111.02 1klv n ALA 89 Ca 0.36 -0.52 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 1klv n ALA 89 Cb 0.59 0.42 -0.11 0.00 0.00 0.00 0.00 19.45 20.34 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 -2.49 0.19 0.25 0.00 -4.23 -1.26 -1.38 115.64 106.70 1klv s THR 90 Ca 0.10 -0.92 -0.06 0.00 -1.18 0.00 0.00 61.69 59.62 1klv s THR 90 Cb 0.00 -0.32 0.24 0.00 1.34 0.00 0.00 72.50 73.76 1klv s THR 90 CO 0.07 -0.47 1.91 0.24 -0.54 0.00 0.00 174.62 175.83 1klv h MET 91 N 4.65 1.20 -0.64 3.99 0.00 -1.34 -2.02 114.93 120.78 1klv h MET 91 Ca -0.33 -0.07 0.12 0.00 0.00 0.00 0.00 59.70 59.43 1klv h MET 91 Cb 1.21 -0.27 -0.09 0.00 0.00 0.00 0.00 31.60 32.45 1klv h MET 91 CO 0.41 0.80 0.14 0.78 0.00 0.00 0.00 176.91 179.04 1klv h GLY 92 N 1.24 0.84 2.00 8.32 0.00 -1.08 0.34 103.07 114.72 1klv h GLY 92 Ca 0.37 -0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.60 1klv h GLY 92 CO -0.10 -0.13 -0.31 0.06 0.00 0.00 0.00 176.54 176.06 1klv h GLN 93 N 0.27 0.00 0.00 4.80 -0.00 -1.52 -1.98 115.11 116.68 1klv h GLN 93 Ca 0.34 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.97 1klv h GLN 93 Cb 0.52 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.00 1klv h GLN 93 CO -0.43 0.31 -0.10 1.37 -0.00 0.00 0.00 178.83 179.98 1klv h LEU 94 N 0.00 0.00 -0.38 0.06 8.10 0.11 -3.15 115.31 120.04 1klv h LEU 94 Ca -0.00 0.00 0.08 0.00 0.11 0.00 0.00 57.88 58.07 1klv h LEU 94 Cb 0.59 0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 40.72 1klv h LEU 94 CO 0.04 0.10 -0.29 0.22 -4.11 0.00 0.00 178.44 174.40 1klv h TYR 95 N 0.00 -0.79 0.00 0.17 3.20 -0.54 0.34 116.97 119.34 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 0.53 0.41 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1klv h TYR 95 CO 0.00 -0.36 0.00 0.37 -1.64 0.00 0.00 178.16 176.53 1klv h GLN 96 N -0.23 0.00 0.00 1.82 5.75 -1.73 -3.28 115.11 117.44 1klv h GLN 96 Ca 0.17 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.66 1klv h GLN 96 Cb 0.51 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.06 1klv h GLN 96 CO -0.51 0.00 -0.49 1.49 -2.65 0.00 0.00 178.83 176.67 1klv h GLU 97 N 0.00 0.00 -1.08 1.69 4.81 -0.51 -3.41 114.58 116.09 1klv h GLU 97 Ca 0.00 0.00 -0.64 0.00 -0.13 0.00 0.00 59.36 58.59 1klv h GLU 97 Cb 0.48 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 29.59 1klv h GLU 97 CO 0.00 0.09 0.82 0.72 -0.73 0.00 0.00 179.01 179.91 1klv n HIS 98 N -4.63 3.02 -3.56 0.92 8.25 0.12 -4.96 115.22 114.38 1klv n HIS 98 Ca -0.08 -2.89 -0.24 0.00 -0.26 0.00 0.00 57.72 54.25 1klv n HIS 98 Cb 0.26 -1.39 0.02 0.00 1.12 0.00 0.00 29.99 30.00 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 -3.57 1.54 0.10 4.41 -3.43 -1.24 -2.62 115.29 110.49 1klv s HIS 99 Ca 0.61 -0.80 0.00 0.00 -0.80 0.00 0.00 55.06 54.07 1klv s HIS 99 Cb 0.48 -2.03 0.00 0.00 -1.43 0.00 0.00 32.58 29.60 1klv s HIS 99 CO -0.01 -0.73 0.00 -1.91 -2.00 0.00 0.00 174.74 170.08 1klv n GLU 100 N -1.95 0.00 -2.66 -0.38 2.13 -1.26 -4.99 120.64 111.53 1klv n GLU 100 Ca 0.05 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.84 1klv n GLU 100 Cb 0.63 -0.20 0.07 0.00 0.27 0.00 0.00 31.44 32.22 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 -3.08 0.11 0.00 5.31 0.00 -1.26 -5.15 120.64 116.58 1klv n GLU 101 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 57.16 56.51 1klv n GLU 101 Cb 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 31.44 31.47 1klv n GLU 101 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1klv n ASP 102 N 0.16 0.20 -2.45 4.31 5.75 -1.26 -5.03 116.55 118.23 1klv n ASP 102 Ca -0.14 0.00 -0.28 0.00 -0.01 0.00 0.00 54.79 54.37 1klv n ASP 102 Cb 0.72 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.82 1klv n ASP 102 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 1klv n PHE 103 N 0.00 3.31 -3.66 2.11 1.16 -1.26 -5.00 117.46 114.11 1klv n PHE 103 Ca 0.00 -2.96 -0.11 0.00 -1.87 0.00 0.00 57.45 52.51 1klv n PHE 103 Cb 0.00 -0.20 -0.08 0.00 -1.61 0.00 0.00 39.48 37.59 1klv n PHE 103 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1klv s PHE 104 N -3.58 -0.79 0.42 2.97 0.08 -1.26 -4.60 117.98 111.21 1klv s PHE 104 Ca 0.49 1.73 0.08 0.00 0.12 0.00 0.00 56.93 59.35 1klv s PHE 104 Cb 0.40 0.37 -0.02 0.00 -0.57 0.00 0.00 43.02 43.20 1klv s PHE 104 CO -0.17 -0.39 0.36 -0.48 -0.10 0.00 0.00 175.22 174.43 1klv s LEU 105 N 0.97 3.37 -0.10 -0.37 0.05 -1.04 -4.39 118.68 117.18 1klv s LEU 105 Ca -0.05 -0.77 0.03 0.00 0.05 0.00 0.00 54.13 53.39 1klv s LEU 105 Cb -0.05 -2.01 0.00 0.00 -2.05 0.00 0.00 46.19 42.08 1klv s LEU 105 CO -0.09 -0.64 -0.21 -0.72 -0.55 0.00 0.00 176.35 174.14 1klv s TYR 106 N -2.48 2.36 -0.01 3.48 -0.85 -1.08 -1.09 117.35 117.68 1klv s TYR 106 Ca 0.48 -1.01 -0.01 0.00 -0.52 0.00 0.00 57.07 56.00 1klv s TYR 106 Cb -0.03 -1.61 0.00 0.00 0.38 0.00 0.00 41.96 40.71 1klv s TYR 106 CO 0.27 -0.43 0.04 0.42 -1.52 0.00 0.00 175.55 174.33 1klv s ILE 107 N 0.52 0.01 0.19 -3.49 1.01 -0.81 -4.33 121.20 114.30 1klv s ILE 107 Ca -0.15 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.41 1klv s ILE 107 Cb -0.17 -0.09 -0.05 0.00 0.01 0.00 0.00 42.46 42.17 1klv s ILE 107 CO 0.06 -0.05 0.05 0.00 0.00 0.00 0.00 174.94 175.00 1klv s ALA 108 N -0.13 1.34 0.17 9.38 0.00 -1.08 -1.16 121.76 130.28 1klv s ALA 108 Ca -0.02 -1.66 0.02 0.00 0.00 0.00 0.00 51.96 50.31 1klv s ALA 108 Cb -0.01 0.84 -0.05 0.00 0.00 0.00 0.00 23.12 23.90 1klv s ALA 108 CO 0.00 -0.42 -0.01 1.52 0.00 0.00 0.00 175.76 176.85 1klv s TYR 109 N -3.81 1.23 0.36 0.00 1.13 -0.93 -0.97 117.35 114.35 1klv s TYR 109 Ca 0.29 -0.98 -0.15 0.00 -1.41 0.00 0.00 57.07 54.82 1klv s TYR 109 Cb 0.07 -0.70 0.04 0.00 -1.10 0.00 0.00 41.96 40.28 1klv s TYR 109 CO 0.07 -0.17 0.74 0.45 -2.51 0.00 0.00 175.55 174.13 1klv s SER 110 N -3.18 0.05 -0.09 -0.18 0.15 -0.95 -2.30 113.70 107.21 1klv s SER 110 Ca 0.23 -1.09 0.18 0.00 0.70 0.00 0.00 55.95 55.97 1klv s SER 110 Cb 0.06 0.81 0.39 0.00 -1.71 0.00 0.00 66.02 65.56 1klv s SER 110 CO 0.04 -1.58 1.18 -0.90 1.20 0.00 0.00 173.24 173.17 1klv n ASP 111 N -1.23 1.29 0.00 5.45 5.68 -1.26 -0.76 116.55 125.73 1klv n ASP 111 Ca -0.07 -2.82 0.00 0.00 -0.50 0.00 0.00 54.79 51.40 1klv n ASP 111 Cb 0.60 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 1klv n ASP 111 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1klv n GLU 112 N -0.29 0.00 -1.87 0.11 -0.58 -1.26 -4.81 120.64 111.93 1klv n GLU 112 Ca 0.11 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.86 1klv n GLU 112 Cb 0.90 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 31.82 1klv n GLU 112 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1klv n SER 113 N 0.00 1.52 -3.80 1.62 2.88 -1.26 -5.05 113.62 109.52 1klv n SER 113 Ca 0.00 -2.32 -0.21 0.00 -1.33 0.00 0.00 58.87 55.01 1klv n SER 113 Cb 0.00 -0.38 0.11 0.00 -0.75 0.00 0.00 64.21 63.19 1klv n SER 113 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1klv n VAL 114 N -0.10 0.00 -1.55 2.46 3.14 -1.26 -4.49 118.33 116.53 1klv n VAL 114 Ca 0.10 -0.07 -0.16 0.00 -2.96 0.00 0.00 64.34 61.25 1klv n VAL 114 Cb 0.98 -0.37 -0.09 0.00 -1.06 0.00 0.00 33.84 33.30 1klv n VAL 114 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1klv n TYR 115 N -4.07 1.03 0.00 1.45 4.19 -1.26 -4.83 117.16 113.67 1klv n TYR 115 Ca 0.03 -0.01 0.00 0.00 3.31 0.00 0.00 57.90 61.23 1klv n TYR 115 Cb 0.41 -2.35 0.00 0.00 0.49 0.00 0.00 39.34 37.88 1klv n TYR 115 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1klv n GLY 116 N 6.61 1.41 0.00 2.98 0.00 -1.26 -5.33 105.19 109.59 1klv n GLY 116 Ca 0.49 -0.85 0.06 0.00 0.00 0.00 0.00 46.02 45.72 1klv n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36