#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kx5 s LYS 2 N 0.00 2.96 -0.16 0.00 1.02 -1.26 -5.03 119.74 117.27 1kx5 s LYS 2 Ca 0.00 -0.95 0.17 0.00 0.02 0.00 0.00 55.97 55.21 1kx5 s LYS 2 Cb 0.00 -2.63 0.37 0.00 -0.52 0.00 0.00 37.83 35.06 1kx5 s LYS 2 CO 0.00 0.44 1.24 -1.13 -0.92 0.00 0.00 175.35 174.98 1kx5 n SER 3 N -0.84 2.59 -3.23 2.83 3.41 -1.26 -5.01 113.62 112.12 1kx5 n SER 3 Ca -0.08 -3.24 -0.07 0.00 -0.26 0.00 0.00 58.87 55.22 1kx5 n SER 3 Cb 0.56 -0.48 0.01 0.00 -0.26 0.00 0.00 64.21 64.04 1kx5 n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kx5 n ALA 4 N -1.18 -2.55 0.22 7.33 0.00 -1.26 -4.83 120.51 118.24 1kx5 n ALA 4 Ca 0.19 -0.04 0.17 0.00 0.00 0.00 0.00 53.44 53.76 1kx5 n ALA 4 Cb 0.73 -1.97 0.76 0.00 0.00 0.00 0.00 19.45 18.97 1kx5 n ALA 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1kx5 h PRO 5 N 0.05 0.00 -3.55 0.00 0.11 -2.03 -3.40 132.00 123.18 1kx5 h PRO 5 Ca -0.20 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.69 1kx5 h PRO 5 Cb 1.11 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 31.94 1kx5 h PRO 5 CO 0.34 0.00 -0.65 0.00 -0.21 0.00 0.00 178.00 177.47 1kx5 s ALA 6 N -4.33 -0.14 1.03 -0.75 0.00 -1.26 -5.15 121.76 111.16 1kx5 s ALA 6 Ca -0.04 0.22 -0.02 0.00 0.00 0.00 0.00 51.96 52.13 1kx5 s ALA 6 Cb 0.12 -0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.13 1kx5 s ALA 6 CO 0.39 -0.05 0.11 -0.35 0.00 0.00 0.00 175.76 175.86 1kx5 n PRO 7 N 3.24 -1.26 -3.34 0.00 -0.04 -1.26 -5.00 135.00 127.34 1kx5 n PRO 7 Ca -0.15 -0.17 -0.30 0.00 -0.04 0.00 0.00 63.50 62.84 1kx5 n PRO 7 Cb 0.58 -0.16 -0.06 0.00 -0.04 0.00 0.00 33.50 33.82 1kx5 n PRO 7 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1kx5 n LYS 8 N -1.86 2.95 -0.14 0.54 5.02 -1.26 -4.73 118.16 118.68 1kx5 n LYS 8 Ca 0.02 -4.65 0.06 0.00 -2.02 0.00 0.00 58.31 51.71 1kx5 n LYS 8 Cb 0.06 -2.31 0.08 0.00 -0.02 0.00 0.00 35.03 32.83 1kx5 n LYS 8 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1kx5 n LYS 9 N 0.97 1.26 0.00 1.97 5.02 -1.26 -5.06 118.16 121.06 1kx5 n LYS 9 Ca 0.29 -1.93 0.00 0.00 -2.02 0.00 0.00 58.31 54.65 1kx5 n LYS 9 Cb 0.39 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 1kx5 n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kx5 n GLY 10 N -0.89 -0.78 3.23 0.72 0.00 -1.26 -5.14 105.19 101.07 1kx5 n GLY 10 Ca 0.09 0.35 -0.17 0.00 0.00 0.00 0.00 46.02 46.30 1kx5 n GLY 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kx5 s SER 11 N -4.00 1.86 0.69 1.61 1.04 -1.26 -5.16 113.70 108.48 1kx5 s SER 11 Ca 0.00 -0.85 0.02 0.00 0.48 0.00 0.00 55.95 55.60 1kx5 s SER 11 Cb 0.00 -0.05 0.12 0.00 0.10 0.00 0.00 66.02 66.19 1kx5 s SER 11 CO 0.00 -0.20 0.95 -1.59 0.98 0.00 0.00 173.24 173.38 1kx5 s LYS 12 N -2.88 1.82 0.24 4.02 -2.85 -1.26 -5.07 119.74 113.76 1kx5 s LYS 12 Ca 0.10 -1.23 -0.20 0.00 -1.00 0.00 0.00 55.97 53.63 1kx5 s LYS 12 Cb -0.03 -2.40 -0.08 0.00 -2.06 0.00 0.00 37.83 33.25 1kx5 s LYS 12 CO 0.02 -1.31 0.75 -1.59 0.10 0.00 0.00 175.35 173.32 1kx5 s LYS 13 N -5.03 4.27 -0.93 1.78 -2.85 -1.26 -5.03 119.74 110.69 1kx5 s LYS 13 Ca 0.65 0.91 -0.07 0.00 -1.00 0.00 0.00 55.97 56.46 1kx5 s LYS 13 Cb -0.05 -2.85 0.24 0.00 -2.06 0.00 0.00 37.83 33.10 1kx5 s LYS 13 CO 0.43 0.37 0.87 0.00 0.10 0.00 0.00 175.35 177.12 1kx5 s ALA 14 N -1.55 4.33 0.00 0.59 0.00 -1.26 -4.97 121.76 118.90 1kx5 s ALA 14 Ca 0.44 -3.67 0.00 0.00 0.00 0.00 0.00 51.96 48.73 1kx5 s ALA 14 Cb -0.17 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1kx5 s ALA 14 CO 0.21 -2.19 0.00 0.28 0.00 0.00 0.00 175.76 174.06 1kx5 n VAL 15 N 2.94 0.00 -3.66 0.00 0.31 -1.26 -4.57 118.33 112.09 1kx5 n VAL 15 Ca 0.19 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.32 1kx5 n VAL 15 Cb 0.40 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.30 1kx5 n VAL 15 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1kx5 s THR 16 N 0.00 3.26 0.56 2.52 -4.23 -1.26 -5.14 115.64 111.35 1kx5 s THR 16 Ca 0.00 -1.31 0.09 0.00 -1.18 0.00 0.00 61.69 59.29 1kx5 s THR 16 Cb 0.00 -3.13 0.09 0.00 1.34 0.00 0.00 72.50 70.80 1kx5 s THR 16 CO 0.00 -0.11 0.76 2.29 -0.54 0.00 0.00 174.62 177.02 1kx5 n LYS 17 N -1.48 0.62 -5.04 3.99 2.85 -1.26 -5.12 118.16 112.72 1kx5 n LYS 17 Ca 0.01 -3.06 -0.32 0.00 -1.05 0.00 0.00 58.31 53.89 1kx5 n LYS 17 Cb 0.60 -0.20 -0.15 0.00 -0.65 0.00 0.00 35.03 34.63 1kx5 n LYS 17 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1kx5 s THR 18 N -2.51 2.55 -0.54 0.58 2.01 -1.26 -5.01 115.64 111.46 1kx5 s THR 18 Ca 0.58 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.71 1kx5 s THR 18 Cb -0.05 -1.99 0.45 0.00 0.01 0.00 0.00 72.50 70.92 1kx5 s THR 18 CO 0.37 0.56 1.75 1.67 -0.69 0.00 0.00 174.62 178.28 1kx5 n GLN 19 N 3.10 3.00 0.00 4.92 -0.06 -1.26 -4.65 117.38 122.43 1kx5 n GLN 19 Ca -0.18 -3.59 0.00 0.00 -2.00 0.00 0.00 57.00 51.23 1kx5 n GLN 19 Cb 0.52 -2.29 0.00 0.00 -4.06 0.00 0.00 30.24 24.42 1kx5 n GLN 19 CO 0.00 0.00 0.00 0.36 -0.20 0.00 0.00 177.06 177.22 1kx5 n LYS 20 N -0.85 0.00 0.00 3.69 2.85 -1.26 -5.04 118.16 117.55 1kx5 n LYS 20 Ca 0.57 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.83 1kx5 n LYS 20 Cb 0.76 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.14 1kx5 n LYS 20 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1kx5 n LYS 21 N 0.00 0.00 0.29 -1.58 5.02 -1.26 0.26 118.16 120.89 1kx5 n LYS 21 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.35 1kx5 n LYS 21 Cb 0.00 0.00 0.23 0.00 -0.02 0.00 0.00 35.03 35.24 1kx5 n LYS 21 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1kx5 h ASP 22 N 0.00 0.00 -0.55 4.39 3.45 -1.98 -2.16 116.42 119.57 1kx5 h ASP 22 Ca 0.00 0.00 0.09 0.00 0.43 0.00 0.00 57.03 57.55 1kx5 h ASP 22 Cb 0.00 0.00 -0.11 0.00 -0.56 0.00 0.00 39.33 38.66 1kx5 h ASP 22 CO 0.00 0.00 -0.38 1.23 -1.57 0.00 0.00 179.24 178.52 1kx5 h GLY 23 N 0.00 -0.31 0.00 2.75 0.00 0.33 -3.42 103.07 102.43 1kx5 h GLY 23 Ca 0.03 0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1kx5 h GLY 23 CO -0.00 -0.19 0.00 1.17 0.00 0.00 0.00 176.54 177.52 1kx5 n LYS 24 N -5.42 0.00 0.00 4.80 4.81 -0.83 -5.02 118.16 116.49 1kx5 n LYS 24 Ca 0.02 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.49 1kx5 n LYS 24 Cb 0.35 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.38 1kx5 n LYS 24 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1kx5 n LYS 25 N 0.00 5.16 0.00 1.64 -0.00 -1.10 -4.71 118.16 119.15 1kx5 n LYS 25 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1kx5 n LYS 25 Cb 0.00 -0.74 0.00 0.00 -0.00 0.00 0.00 35.03 34.29 1kx5 n LYS 25 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1kx5 n ARG 26 N -1.05 0.00 0.00 -1.58 0.63 -1.26 -2.28 116.66 111.12 1kx5 n ARG 26 Ca 0.01 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 1kx5 n ARG 26 Cb 0.08 -0.54 0.00 0.00 0.45 0.00 0.00 32.46 32.45 1kx5 n ARG 26 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1kx5 n ARG 27 N -0.05 0.25 -0.35 -0.14 5.12 -1.26 -3.34 116.66 116.89 1kx5 n ARG 27 Ca 0.00 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 55.95 1kx5 n ARG 27 Cb 0.00 -1.12 0.16 0.00 -1.16 0.00 0.00 32.46 30.34 1kx5 n ARG 27 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1kx5 n LYS 28 N 0.32 2.53 -1.52 5.56 4.81 -0.97 -4.88 118.16 124.03 1kx5 n LYS 28 Ca 0.00 -1.26 -0.40 0.00 -0.87 0.00 0.00 58.31 55.78 1kx5 n LYS 28 Cb 0.06 -1.78 -0.08 0.00 0.02 0.00 0.00 35.03 33.24 1kx5 n LYS 28 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1kx5 n THR 29 N 0.26 -0.02 -1.65 3.15 -1.04 -1.21 -4.75 114.28 109.01 1kx5 n THR 29 Ca 0.11 -0.43 -0.51 0.00 -2.04 0.00 0.00 64.05 61.18 1kx5 n THR 29 Cb 0.61 -1.78 -0.06 0.00 -1.82 0.00 0.00 70.33 67.29 1kx5 n THR 29 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1kx5 n ARG 30 N 8.71 1.56 -3.97 -2.82 1.74 -1.26 -4.96 116.66 115.66 1kx5 n ARG 30 Ca 0.49 0.57 -0.31 0.00 -0.77 0.00 0.00 57.85 57.83 1kx5 n ARG 30 Cb 0.31 -2.28 -0.15 0.00 -1.02 0.00 0.00 32.46 29.32 1kx5 n ARG 30 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1kx5 s LYS 31 N 1.85 1.52 0.59 5.56 2.47 -1.26 -5.11 119.74 125.37 1kx5 s LYS 31 Ca 0.88 -1.98 -0.09 0.00 -1.56 0.00 0.00 55.97 53.21 1kx5 s LYS 31 Cb -0.87 -3.12 -0.03 0.00 -1.46 0.00 0.00 37.83 32.35 1kx5 s LYS 31 CO 0.50 -0.99 0.96 -1.83 0.16 0.00 0.00 175.35 174.15 1kx5 s GLU 32 N 0.68 3.46 0.32 4.03 -1.05 -1.26 -5.09 118.70 119.79 1kx5 s GLU 32 Ca 0.12 0.53 -0.17 0.00 -0.15 0.00 0.00 54.97 55.30 1kx5 s GLU 32 Cb -0.21 -2.16 0.03 0.00 -0.44 0.00 0.00 34.13 31.35 1kx5 s GLU 32 CO -0.07 -0.53 0.71 -1.54 0.95 0.00 0.00 175.26 174.77 1kx5 s SER 33 N -4.19 -0.09 0.00 0.83 1.04 -1.26 -5.03 113.70 105.01 1kx5 s SER 33 Ca 0.53 -0.88 0.20 0.00 0.48 0.00 0.00 55.95 56.29 1kx5 s SER 33 Cb -0.11 0.75 0.62 0.00 0.10 0.00 0.00 66.02 67.39 1kx5 s SER 33 CO 0.51 -1.45 1.48 -1.22 0.98 0.00 0.00 173.24 173.54 1kx5 n TYR 34 N -0.48 0.32 -0.23 5.02 4.02 -1.26 -4.57 117.16 119.98 1kx5 n TYR 34 Ca -0.05 -0.16 -0.01 0.00 -0.01 0.00 0.00 57.90 57.68 1kx5 n TYR 34 Cb 0.60 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.98 1kx5 n TYR 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1kx5 h ALA 35 N 4.14 0.37 0.00 -0.72 0.00 -1.96 0.14 119.26 121.22 1kx5 h ALA 35 Ca 0.00 0.25 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1kx5 h ALA 35 Cb 0.62 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1kx5 h ALA 35 CO 0.00 -0.46 -0.27 -0.84 0.00 0.00 0.00 179.25 177.68 1kx5 h ILE 36 N -0.03 0.80 0.22 0.00 3.07 -2.00 -0.71 117.51 118.87 1kx5 h ILE 36 Ca 0.31 -1.09 -0.32 0.00 1.55 0.00 0.00 64.86 65.31 1kx5 h ILE 36 Cb 0.51 1.66 0.03 0.00 -0.27 0.00 0.00 36.82 38.76 1kx5 h ILE 36 CO -0.70 0.26 -1.43 1.88 -1.05 0.00 0.00 178.15 177.11 1kx5 h TYR 37 N 0.00 0.86 -0.86 0.16 -1.99 -1.47 -2.62 116.97 111.05 1kx5 h TYR 37 Ca -0.00 -0.63 -0.01 0.00 2.00 0.00 0.00 58.73 60.09 1kx5 h TYR 37 Cb 0.64 -0.03 -0.04 0.00 2.00 0.00 0.00 36.73 39.30 1kx5 h TYR 37 CO 0.00 1.50 0.50 0.28 -0.00 0.00 0.00 178.16 180.44 1kx5 h VAL 38 N 0.13 1.24 -0.59 -2.88 2.07 -0.54 -2.15 116.25 113.53 1kx5 h VAL 38 Ca -0.23 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 1kx5 h VAL 38 Cb 2.12 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1kx5 h VAL 38 CO 0.26 0.26 0.37 0.22 0.02 0.00 0.00 177.57 178.69 1kx5 h TYR 39 N 1.19 0.78 -0.84 1.57 3.20 -1.13 -1.28 116.97 120.44 1kx5 h TYR 39 Ca 0.31 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.16 1kx5 h TYR 39 Cb -0.02 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 37.95 1kx5 h TYR 39 CO 0.01 0.52 0.46 0.87 -1.64 0.00 0.00 178.16 178.38 1kx5 h LYS 40 N 0.80 1.17 -0.22 1.82 1.57 -1.02 -2.46 116.57 118.23 1kx5 h LYS 40 Ca 0.21 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.72 1kx5 h LYS 40 Cb -0.03 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1kx5 h LYS 40 CO -0.04 0.85 -0.46 0.28 -0.57 0.00 0.00 179.45 179.51 1kx5 h VAL 41 N 1.17 1.31 -0.55 0.50 2.07 -1.04 -2.74 116.25 116.97 1kx5 h VAL 41 Ca 0.30 -1.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.14 1kx5 h VAL 41 Cb 0.02 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1kx5 h VAL 41 CO -0.05 0.52 0.29 0.25 0.02 0.00 0.00 177.57 178.61 1kx5 h LEU 42 N 0.45 0.67 -0.80 2.57 5.85 -0.83 -1.87 115.31 121.35 1kx5 h LEU 42 Ca 0.03 -0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 1kx5 h LEU 42 Cb 0.98 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1kx5 h LEU 42 CO 0.09 0.55 -0.29 0.11 -0.34 0.00 0.00 178.44 178.55 1kx5 h LYS 43 N 0.76 0.57 -0.09 1.25 1.79 -1.18 0.62 116.57 120.30 1kx5 h LYS 43 Ca 0.20 -0.24 -0.15 0.00 -2.18 0.00 0.00 60.65 58.28 1kx5 h LYS 43 Cb 0.03 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 1kx5 h LYS 43 CO -0.03 0.80 -0.59 1.96 -1.08 0.00 0.00 179.45 180.51 1kx5 h GLN 44 N 0.49 0.28 0.03 3.15 4.20 -1.11 -2.73 115.11 119.42 1kx5 h GLN 44 Ca 0.06 -0.19 -0.33 0.00 0.06 0.00 0.00 58.65 58.25 1kx5 h GLN 44 Cb 0.76 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.52 1kx5 h GLN 44 CO 0.06 0.79 -1.94 1.33 -0.67 0.00 0.00 178.83 178.39 1kx5 n VAL 45 N -3.89 1.62 -3.23 -0.54 0.24 -0.76 -4.73 118.33 107.03 1kx5 n VAL 45 Ca -0.02 -0.75 -0.24 0.00 -2.04 0.00 0.00 64.34 61.29 1kx5 n VAL 45 Cb 0.61 -1.17 -0.07 0.00 -1.47 0.00 0.00 33.84 31.74 1kx5 n VAL 45 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1kx5 n HIS 46 N -3.13 -0.81 -0.51 6.34 8.25 0.21 -5.01 115.22 120.56 1kx5 n HIS 46 Ca -0.25 -3.32 0.42 0.00 -0.26 0.00 0.00 57.72 54.30 1kx5 n HIS 46 Cb 1.06 0.01 0.71 0.00 1.12 0.00 0.00 29.99 32.89 1kx5 n HIS 46 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1kx5 h PRO 47 N 4.62 0.05 -0.43 -0.41 0.11 -1.59 -0.04 132.00 134.31 1kx5 h PRO 47 Ca 0.13 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 1kx5 h PRO 47 Cb 0.90 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1kx5 h PRO 47 CO 0.41 0.03 0.01 -0.25 -0.21 0.00 0.00 178.00 177.99 1kx5 n ASP 48 N -4.46 4.79 -4.49 -2.05 8.00 -1.26 -4.93 116.55 112.15 1kx5 n ASP 48 Ca 0.39 -3.00 -0.33 0.00 0.71 0.00 0.00 54.79 52.56 1kx5 n ASP 48 Cb 1.59 -0.62 -0.13 0.00 -0.02 0.00 0.00 41.12 41.94 1kx5 n ASP 48 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1kx5 s THR 49 N -2.82 3.20 0.00 -3.53 2.01 -0.03 -5.12 115.64 109.35 1kx5 s THR 49 Ca 0.49 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.82 1kx5 s THR 49 Cb 0.38 -2.27 0.00 0.00 0.01 0.00 0.00 72.50 70.62 1kx5 s THR 49 CO 0.12 0.59 0.00 0.61 -0.69 0.00 0.00 174.62 175.25 1kx5 n GLY 50 N 2.38 2.51 3.43 4.40 0.00 -1.26 -4.87 105.19 111.77 1kx5 n GLY 50 Ca -0.17 -2.15 -0.10 0.00 0.00 0.00 0.00 46.02 43.60 1kx5 n GLY 50 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1kx5 s ILE 51 N 0.55 -0.01 0.89 -0.61 2.07 -1.26 -5.15 121.20 117.68 1kx5 s ILE 51 Ca 0.00 0.05 -0.12 0.00 -1.41 0.00 0.00 60.65 59.17 1kx5 s ILE 51 Cb 0.00 -0.77 0.13 0.00 0.13 0.00 0.00 42.46 41.95 1kx5 s ILE 51 CO 0.00 0.02 1.09 -0.94 -1.91 0.00 0.00 174.94 173.20 1kx5 s SER 52 N 1.32 3.52 0.14 4.50 1.04 -1.26 -4.82 113.70 118.14 1kx5 s SER 52 Ca -0.08 1.47 -0.13 0.00 0.48 0.00 0.00 55.95 57.68 1kx5 s SER 52 Cb -0.06 -2.15 0.01 0.00 0.10 0.00 0.00 66.02 63.92 1kx5 s SER 52 CO -0.13 -2.61 1.62 0.28 0.98 0.00 0.00 173.24 173.39 1kx5 h SER 53 N -1.53 0.76 -0.79 7.02 0.02 -2.01 -0.04 113.55 116.98 1kx5 h SER 53 Ca -0.49 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.18 1kx5 h SER 53 Cb 1.28 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.59 1kx5 h SER 53 CO 0.55 0.83 0.45 0.11 -1.14 0.00 0.00 176.83 177.63 1kx5 h LYS 54 N 0.65 1.09 -0.39 3.45 1.57 -1.99 -0.63 116.57 120.32 1kx5 h LYS 54 Ca 0.14 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1kx5 h LYS 54 Cb 0.40 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1kx5 h LYS 54 CO 0.01 0.80 -0.21 0.00 -0.57 0.00 0.00 179.45 179.47 1kx5 h ALA 55 N 1.24 0.90 -0.28 3.86 0.00 -1.86 -2.31 119.26 120.81 1kx5 h ALA 55 Ca 0.28 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1kx5 h ALA 55 Cb 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1kx5 h ALA 55 CO -0.05 0.62 -0.12 1.98 0.00 0.00 0.00 179.25 181.68 1kx5 h MET 56 N 0.66 0.48 -0.32 0.00 1.85 -0.51 -1.29 114.93 115.80 1kx5 h MET 56 Ca 0.09 -0.13 -0.11 0.00 -0.61 0.00 0.00 59.70 58.94 1kx5 h MET 56 Cb 0.71 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.68 1kx5 h MET 56 CO 0.05 0.60 -0.27 1.03 -0.40 0.00 0.00 176.91 177.93 1kx5 h SER 57 N 0.44 0.67 -0.26 1.39 0.87 -0.81 0.70 113.55 116.55 1kx5 h SER 57 Ca 0.08 -0.25 -0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1kx5 h SER 57 Cb 0.48 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1kx5 h SER 57 CO 0.03 0.91 0.16 0.40 -0.53 0.00 0.00 176.83 177.80 1kx5 h ILE 58 N 0.57 1.09 -0.82 2.23 1.08 -0.93 -0.73 117.51 119.99 1kx5 h ILE 58 Ca 0.07 -0.20 -0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1kx5 h ILE 58 Cb 0.75 0.75 -0.04 0.00 -3.07 0.00 0.00 36.82 35.21 1kx5 h ILE 58 CO 0.06 0.09 0.50 0.24 -0.69 0.00 0.00 178.15 178.35 1kx5 h MET 59 N 0.34 1.11 -0.44 2.37 2.86 -0.78 0.85 114.93 121.24 1kx5 h MET 59 Ca 0.09 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1kx5 h MET 59 Cb 0.00 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.40 1kx5 h MET 59 CO -0.02 0.78 0.26 -0.97 1.06 0.00 0.00 176.91 178.01 1kx5 h ASN 60 N 1.13 0.53 -0.70 1.22 -1.24 -0.51 -0.99 115.58 115.02 1kx5 h ASN 60 Ca 0.30 -0.07 0.02 0.00 0.71 0.00 0.00 56.30 57.26 1kx5 h ASN 60 Cb -0.06 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 38.82 1kx5 h ASN 60 CO -0.06 0.44 0.45 0.28 -1.29 0.00 0.00 177.43 177.26 1kx5 h SER 61 N 0.58 0.75 0.01 1.15 0.02 -0.67 -1.47 113.55 113.92 1kx5 h SER 61 Ca 0.16 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1kx5 h SER 61 Cb 0.01 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 1kx5 h SER 61 CO -0.03 0.53 -0.13 0.15 -1.14 0.00 0.00 176.83 176.21 1kx5 h PHE 62 N 0.89 -0.33 -0.71 3.45 3.57 -0.31 0.74 116.94 124.24 1kx5 h PHE 62 Ca 0.27 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.72 1kx5 h PHE 62 Cb -0.03 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1kx5 h PHE 62 CO -0.03 -0.20 0.21 0.28 -2.23 0.00 0.00 178.31 176.33 1kx5 h VAL 63 N -0.23 1.26 -0.70 1.41 2.07 -1.01 -1.05 116.25 118.00 1kx5 h VAL 63 Ca 0.04 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 1kx5 h VAL 63 Cb 0.28 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1kx5 h VAL 63 CO -0.12 0.36 0.24 0.78 0.02 0.00 0.00 177.57 178.84 1kx5 h ASN 64 N 1.05 0.99 0.15 0.57 2.35 -1.06 -1.06 115.58 118.57 1kx5 h ASN 64 Ca 0.23 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1kx5 h ASN 64 Cb 0.33 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1kx5 h ASN 64 CO -0.00 0.91 -0.07 -0.78 -1.65 0.00 0.00 177.43 175.84 1kx5 h ASP 65 N 1.03 -0.17 -0.45 5.81 3.58 -0.48 -1.85 116.42 123.90 1kx5 h ASP 65 Ca 0.23 -0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 1kx5 h ASP 65 Cb 0.26 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 1kx5 h ASP 65 CO -0.01 0.12 0.17 0.58 -2.88 0.00 0.00 179.24 177.22 1kx5 h VAL 66 N -0.47 1.20 0.11 2.25 2.07 -1.12 -0.47 116.25 119.82 1kx5 h VAL 66 Ca -0.02 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 1kx5 h VAL 66 Cb 0.37 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1kx5 h VAL 66 CO 0.03 0.25 -0.06 0.15 0.02 0.00 0.00 177.57 177.96 1kx5 h PHE 67 N 0.72 -0.15 -0.47 1.57 3.57 -1.13 -0.35 116.94 120.69 1kx5 h PHE 67 Ca 0.17 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1kx5 h PHE 67 Cb 0.19 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1kx5 h PHE 67 CO 0.01 -0.09 0.31 0.93 -2.23 0.00 0.00 178.31 177.23 1kx5 h GLU 68 N -0.16 0.63 -0.53 1.11 5.08 -0.77 0.10 114.58 120.04 1kx5 h GLU 68 Ca -0.01 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1kx5 h GLU 68 Cb 0.13 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1kx5 h GLU 68 CO 0.02 0.43 0.17 0.00 -1.00 0.00 0.00 179.01 178.63 1kx5 h ARG 69 N 0.64 0.82 -0.28 2.33 3.08 -1.00 0.20 114.38 120.17 1kx5 h ARG 69 Ca 0.17 -0.17 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1kx5 h ARG 69 Cb -0.06 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.87 1kx5 h ARG 69 CO -0.04 0.75 -0.32 0.82 -1.07 0.00 0.00 179.97 180.11 1kx5 h ILE 70 N 0.72 1.30 -0.53 2.04 2.04 -0.87 -1.48 117.51 120.74 1kx5 h ILE 70 Ca 0.17 -1.50 -0.09 0.00 1.00 0.00 0.00 64.86 64.44 1kx5 h ILE 70 Cb 0.27 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 1kx5 h ILE 70 CO -0.01 0.48 -0.03 0.00 0.00 0.00 0.00 178.15 178.60 1kx5 h ALA 71 N 0.69 0.94 -0.48 1.87 0.00 -0.71 -0.15 119.26 121.42 1kx5 h ALA 71 Ca 0.04 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1kx5 h ALA 71 Cb 0.90 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1kx5 h ALA 71 CO 0.08 0.63 0.07 0.78 0.00 0.00 0.00 179.25 180.81 1kx5 h GLY 72 N 0.99 0.87 1.19 0.00 0.00 -0.55 0.64 103.07 106.21 1kx5 h GLY 72 Ca 0.15 -0.59 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 1kx5 h GLY 72 CO 0.03 0.55 0.04 -2.09 0.00 0.00 0.00 176.54 175.06 1kx5 h GLU 73 N 0.68 0.99 -0.60 4.80 4.57 -1.08 -1.97 114.58 121.96 1kx5 h GLU 73 Ca 0.15 -0.28 -0.10 0.00 -1.18 0.00 0.00 59.36 57.95 1kx5 h GLU 73 Cb 0.41 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1kx5 h GLU 73 CO 0.01 0.95 -0.00 0.00 -1.18 0.00 0.00 179.01 178.78 1kx5 h ALA 74 N 1.12 0.81 0.01 2.92 0.00 -0.73 -1.53 119.26 121.87 1kx5 h ALA 74 Ca 0.17 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1kx5 h ALA 74 Cb 0.48 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1kx5 h ALA 74 CO 0.02 0.66 -0.10 1.03 0.00 0.00 0.00 179.25 180.86 1kx5 h SER 75 N 0.97 -0.28 -0.59 0.00 0.87 -0.63 -1.77 113.55 112.13 1kx5 h SER 75 Ca 0.17 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 1kx5 h SER 75 Cb 0.57 0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.62 1kx5 h SER 75 CO 0.03 -0.14 0.29 0.03 -0.53 0.00 0.00 176.83 176.50 1kx5 h ARG 76 N -0.18 0.84 -0.27 2.24 3.08 -1.23 -1.02 114.38 117.85 1kx5 h ARG 76 Ca 0.03 -0.12 0.06 0.00 0.07 0.00 0.00 59.98 60.02 1kx5 h ARG 76 Cb 0.22 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 1kx5 h ARG 76 CO -0.09 0.68 -0.08 -0.07 -1.07 0.00 0.00 179.97 179.34 1kx5 h LEU 77 N 0.80 -0.28 -0.60 3.04 3.38 -1.12 0.26 115.31 120.79 1kx5 h LEU 77 Ca 0.20 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 1kx5 h LEU 77 Cb 0.11 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1kx5 h LEU 77 CO -0.03 -0.10 0.22 0.00 0.09 0.00 0.00 178.44 178.62 1kx5 h ALA 78 N 1.25 0.78 -0.37 1.53 0.00 -1.11 -2.14 119.26 119.20 1kx5 h ALA 78 Ca 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1kx5 h ALA 78 Cb 0.22 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1kx5 h ALA 78 CO -0.29 0.42 0.16 0.45 0.00 0.00 0.00 179.25 179.99 1kx5 h HIS 79 N 0.84 0.54 -0.81 0.00 3.86 -0.65 0.87 115.15 119.79 1kx5 h HIS 79 Ca 0.20 -0.03 0.09 0.00 -1.16 0.00 0.00 60.37 59.47 1kx5 h HIS 79 Cb 0.24 -0.16 -0.06 0.00 1.06 0.00 0.00 27.41 28.49 1kx5 h HIS 79 CO 0.01 0.47 0.53 1.88 0.86 0.00 0.00 177.93 181.69 1kx5 h TYR 80 N 0.45 0.82 -0.45 2.45 0.05 -0.34 -0.93 116.97 119.02 1kx5 h TYR 80 Ca 0.12 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.93 1kx5 h TYR 80 Cb 0.15 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 37.62 1kx5 h TYR 80 CO -0.01 0.39 0.00 0.09 -1.05 0.00 0.00 178.16 177.58 1kx5 n ASN 81 N -4.51 2.50 -3.53 3.88 3.02 -0.82 -4.94 115.26 110.86 1kx5 n ASN 81 Ca 0.13 -1.98 -0.19 0.00 -0.03 0.00 0.00 54.58 52.52 1kx5 n ASN 81 Cb 0.31 -0.30 0.07 0.00 -0.61 0.00 0.00 39.78 39.25 1kx5 n ASN 81 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1kx5 n LYS 82 N 0.87 -5.70 -5.07 3.52 5.02 -0.35 -5.00 118.16 111.44 1kx5 n LYS 82 Ca 0.16 0.76 -0.29 0.00 -2.02 0.00 0.00 58.31 56.92 1kx5 n LYS 82 Cb 0.40 -5.57 -0.16 0.00 -0.02 0.00 0.00 35.03 29.67 1kx5 n LYS 82 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1kx5 s ARG 83 N -5.57 2.20 0.00 1.97 1.81 0.21 -5.02 118.95 114.56 1kx5 s ARG 83 Ca 0.03 -0.77 0.24 0.00 -1.72 0.00 0.00 55.73 53.50 1kx5 s ARG 83 Cb -0.00 -1.89 0.69 0.00 -0.45 0.00 0.00 34.95 33.30 1kx5 s ARG 83 CO 0.76 0.32 1.53 -1.13 -0.68 0.00 0.00 175.30 176.11 1kx5 n SER 84 N 3.03 2.14 -4.30 0.23 3.41 -1.26 -4.20 113.62 112.66 1kx5 n SER 84 Ca -0.18 -1.74 -0.32 0.00 -0.26 0.00 0.00 58.87 56.37 1kx5 n SER 84 Cb 0.52 -0.08 -0.16 0.00 -0.26 0.00 0.00 64.21 64.23 1kx5 n SER 84 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1kx5 s THR 85 N -1.84 2.41 -0.36 6.66 2.01 -1.26 -5.09 115.64 118.17 1kx5 s THR 85 Ca 0.34 -0.92 -0.14 0.00 0.31 0.00 0.00 61.69 61.29 1kx5 s THR 85 Cb 0.20 -1.93 -0.01 0.00 0.01 0.00 0.00 72.50 70.77 1kx5 s THR 85 CO 0.30 0.56 0.26 -0.63 -0.69 0.00 0.00 174.62 174.42 1kx5 s ILE 86 N 0.05 5.27 0.55 1.82 1.01 -1.26 -4.89 121.20 123.75 1kx5 s ILE 86 Ca -0.08 -0.32 0.05 0.00 0.00 0.00 0.00 60.65 60.30 1kx5 s ILE 86 Cb -0.15 -3.78 0.04 0.00 0.01 0.00 0.00 42.46 38.58 1kx5 s ILE 86 CO 0.05 -0.09 0.40 0.42 0.00 0.00 0.00 174.94 175.72 1kx5 s THR 87 N 1.73 1.59 0.49 2.92 -4.23 -1.26 -5.00 115.64 111.87 1kx5 s THR 87 Ca 0.06 -1.50 0.20 0.00 -1.18 0.00 0.00 61.69 59.27 1kx5 s THR 87 Cb -0.18 -2.09 0.25 0.00 1.34 0.00 0.00 72.50 71.83 1kx5 s THR 87 CO 0.10 0.00 2.09 0.77 -0.54 0.00 0.00 174.62 177.05 1kx5 h SER 88 N 0.73 0.00 -0.84 3.99 4.64 -1.99 -2.13 113.55 117.94 1kx5 h SER 88 Ca -0.37 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.92 1kx5 h SER 88 Cb 1.31 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.36 1kx5 h SER 88 CO 0.57 0.10 0.39 -0.09 -0.87 0.00 0.00 176.83 176.93 1kx5 h ARG 89 N 0.00 1.22 -0.18 4.77 2.43 -1.99 0.22 114.38 120.85 1kx5 h ARG 89 Ca -0.00 -0.19 -0.14 0.00 -0.81 0.00 0.00 59.98 58.84 1kx5 h ARG 89 Cb 0.19 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1kx5 h ARG 89 CO 0.01 0.95 -0.48 0.93 -1.51 0.00 0.00 179.97 179.87 1kx5 h GLU 90 N 1.21 0.47 -0.53 0.20 3.07 -1.78 -1.64 114.58 115.59 1kx5 h GLU 90 Ca 0.29 -0.27 -0.07 0.00 -0.50 0.00 0.00 59.36 58.81 1kx5 h GLU 90 Cb 0.14 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 1kx5 h GLU 90 CO -0.03 0.85 0.05 0.82 -1.40 0.00 0.00 179.01 179.30 1kx5 h ILE 91 N 0.38 1.26 0.18 3.13 1.08 -1.15 0.26 117.51 122.66 1kx5 h ILE 91 Ca 0.02 -1.02 -0.01 0.00 -0.39 0.00 0.00 64.86 63.46 1kx5 h ILE 91 Cb 0.99 0.88 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 1kx5 h ILE 91 CO 0.09 0.37 -0.09 -0.61 -0.69 0.00 0.00 178.15 177.21 1kx5 h GLN 92 N 0.78 -0.24 -0.65 2.37 4.15 -0.79 0.50 115.11 121.23 1kx5 h GLN 92 Ca 0.16 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.57 1kx5 h GLN 92 Cb 0.47 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.18 1kx5 h GLN 92 CO 0.02 -0.05 0.32 1.15 -1.93 0.00 0.00 178.83 178.34 1kx5 h THR 93 N -0.39 1.21 -0.71 2.39 2.02 -1.27 -1.42 112.91 114.74 1kx5 h THR 93 Ca -0.03 -0.56 -0.07 0.00 0.77 0.00 0.00 66.41 66.52 1kx5 h THR 93 Cb 0.30 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1kx5 h THR 93 CO 0.04 0.24 0.16 0.00 0.37 0.00 0.00 175.52 176.33 1kx5 h ALA 94 N 1.45 0.93 -0.69 6.16 0.00 -0.64 -1.65 119.26 124.82 1kx5 h ALA 94 Ca 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1kx5 h ALA 94 Cb 0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1kx5 h ALA 94 CO -0.03 0.67 0.38 0.28 0.00 0.00 0.00 179.25 180.54 1kx5 h VAL 95 N 1.08 1.21 -0.31 0.00 2.07 -0.24 0.77 116.25 120.84 1kx5 h VAL 95 Ca 0.22 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 1kx5 h VAL 95 Cb 0.39 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1kx5 h VAL 95 CO 0.00 0.24 -0.07 0.03 0.02 0.00 0.00 177.57 177.80 1kx5 h ARG 96 N 0.94 0.50 0.06 1.57 3.08 -0.90 0.37 114.38 119.99 1kx5 h ARG 96 Ca 0.24 -0.12 -0.27 0.00 0.07 0.00 0.00 59.98 59.90 1kx5 h ARG 96 Cb 0.04 -0.06 0.02 0.00 0.08 0.00 0.00 29.97 30.05 1kx5 h ARG 96 CO -0.04 0.57 -1.10 -0.07 -1.07 0.00 0.00 179.97 178.26 1kx5 h LEU 97 N 0.47 0.73 0.15 3.04 3.38 -0.86 -3.38 115.31 118.84 1kx5 h LEU 97 Ca 0.09 -0.64 -0.33 0.00 0.09 0.00 0.00 57.88 57.10 1kx5 h LEU 97 Cb 0.41 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1kx5 h LEU 97 CO 0.02 1.45 -1.65 0.25 0.09 0.00 0.00 178.44 178.60 1kx5 h LEU 98 N 0.27 0.48 -9.78 1.67 5.85 -0.60 -3.47 115.31 109.73 1kx5 h LEU 98 Ca -0.14 -0.71 -0.59 0.00 0.84 0.00 0.00 57.88 57.29 1kx5 h LEU 98 Cb 1.77 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.59 1kx5 h LEU 98 CO 0.20 1.60 -0.20 -0.76 -0.34 0.00 0.00 178.44 178.94 1kx5 s LEU 99 N -7.09 4.39 0.55 2.25 1.43 0.10 -5.06 118.68 115.24 1kx5 s LEU 99 Ca -0.12 0.91 -0.20 0.00 -1.03 0.00 0.00 54.13 53.68 1kx5 s LEU 99 Cb 0.06 -2.93 -0.05 0.00 0.03 0.00 0.00 46.19 43.31 1kx5 s LEU 99 CO 0.85 0.20 1.24 -2.84 0.23 0.00 0.00 176.35 176.03 1kx5 s PRO 100 N -1.67 3.19 0.00 1.29 0.02 -1.26 -4.44 135.00 132.13 1kx5 s PRO 100 Ca 0.31 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.25 1kx5 s PRO 100 Cb -0.15 -2.12 0.00 0.00 0.02 0.00 0.00 34.50 32.25 1kx5 s PRO 100 CO 0.17 -1.05 0.00 0.41 -0.33 0.00 0.00 177.00 176.20 1kx5 n GLY 101 N 0.55 0.00 0.33 0.52 0.00 -1.26 -1.47 105.19 103.87 1kx5 n GLY 101 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 1kx5 n GLY 101 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1kx5 h GLU 102 N 0.00 1.03 -0.78 1.61 4.57 -2.00 -2.25 114.58 116.75 1kx5 h GLU 102 Ca 0.00 -0.14 0.02 0.00 -1.18 0.00 0.00 59.36 58.06 1kx5 h GLU 102 Cb 0.00 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.36 1kx5 h GLU 102 CO 0.00 0.80 0.51 1.25 -1.18 0.00 0.00 179.01 180.39 1kx5 h LEU 103 N 1.02 0.86 -0.51 1.64 5.85 -1.63 -2.43 115.31 120.12 1kx5 h LEU 103 Ca 0.25 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.91 1kx5 h LEU 103 Cb 0.11 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1kx5 h LEU 103 CO -0.03 0.61 0.13 0.00 -0.34 0.00 0.00 178.44 178.82 1kx5 h ALA 104 N 1.31 0.67 -0.07 1.25 0.00 -0.69 -0.24 119.26 121.48 1kx5 h ALA 104 Ca 0.30 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1kx5 h ALA 104 Cb -0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1kx5 h ALA 104 CO -0.09 0.35 -0.03 -0.22 0.00 0.00 0.00 179.25 179.26 1kx5 h LYS 105 N 0.69 -0.03 -0.32 0.00 3.64 -1.12 0.21 116.57 119.65 1kx5 h LYS 105 Ca 0.16 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.42 1kx5 h LYS 105 Cb 0.31 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1kx5 h LYS 105 CO -0.00 -0.02 -0.30 0.45 -2.27 0.00 0.00 179.45 177.31 1kx5 h HIS 106 N -0.03 0.78 -0.55 1.91 3.86 -1.42 -0.68 115.15 119.03 1kx5 h HIS 106 Ca 0.04 -0.20 -0.03 0.00 -1.16 0.00 0.00 60.37 59.02 1kx5 h HIS 106 Cb 0.08 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 1kx5 h HIS 106 CO -0.14 0.90 0.22 0.00 0.86 0.00 0.00 177.93 179.76 1kx5 h ALA 107 N 1.09 0.71 -0.66 2.45 0.00 -0.66 -0.04 119.26 122.14 1kx5 h ALA 107 Ca 0.07 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1kx5 h ALA 107 Cb 0.81 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1kx5 h ALA 107 CO 0.07 0.33 0.24 0.28 0.00 0.00 0.00 179.25 180.16 1kx5 h VAL 108 N 0.75 1.25 -0.61 0.00 2.07 -0.38 0.19 116.25 119.51 1kx5 h VAL 108 Ca 0.18 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1kx5 h VAL 108 Cb 0.20 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1kx5 h VAL 108 CO -0.01 0.31 0.20 -1.28 0.02 0.00 0.00 177.57 176.81 1kx5 h SER 109 N 0.95 0.84 -0.15 0.57 0.87 -0.75 -0.36 113.55 115.52 1kx5 h SER 109 Ca 0.22 -0.13 -0.19 0.00 -1.23 0.00 0.00 61.79 60.46 1kx5 h SER 109 Cb 0.25 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1kx5 h SER 109 CO -0.01 0.78 -0.64 -0.33 -0.53 0.00 0.00 176.83 176.10 1kx5 h GLU 110 N 0.88 0.69 -0.22 2.24 4.39 -0.65 -2.40 114.58 119.52 1kx5 h GLU 110 Ca 0.20 -0.55 -0.01 0.00 0.34 0.00 0.00 59.36 59.34 1kx5 h GLU 110 Cb 0.23 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1kx5 h GLU 110 CO -0.01 1.16 0.08 0.78 -1.16 0.00 0.00 179.01 179.87 1kx5 h GLY 111 N 0.38 0.35 1.51 -3.84 0.00 -0.72 -1.60 103.07 99.14 1kx5 h GLY 111 Ca -0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1kx5 h GLY 111 CO 0.13 0.18 0.21 -0.84 0.00 0.00 0.00 176.54 176.22 1kx5 h THR 112 N 0.19 1.16 -0.22 4.70 2.02 -1.12 -2.09 112.91 117.56 1kx5 h THR 112 Ca 0.07 -0.47 -0.06 0.00 0.77 0.00 0.00 66.41 66.72 1kx5 h THR 112 Cb 0.18 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1kx5 h THR 112 CO -0.01 0.19 -0.09 0.50 0.37 0.00 0.00 175.52 176.48 1kx5 h LYS 113 N 0.64 0.44 -0.62 6.66 3.64 -1.15 -2.02 116.57 124.17 1kx5 h LYS 113 Ca 0.16 -0.19 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 1kx5 h LYS 113 Cb 0.09 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1kx5 h LYS 113 CO -0.02 0.72 0.16 0.00 -2.27 0.00 0.00 179.45 178.04 1kx5 h ALA 114 N 0.71 1.12 -0.15 5.00 0.00 -1.02 -0.81 119.26 124.11 1kx5 h ALA 114 Ca 0.05 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 1kx5 h ALA 114 Cb 0.58 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1kx5 h ALA 114 CO 0.03 0.59 -0.50 0.28 0.00 0.00 0.00 179.25 179.65 1kx5 h VAL 115 N 0.92 1.33 0.22 0.00 2.07 -1.36 -0.21 116.25 119.22 1kx5 h VAL 115 Ca 0.20 -1.74 -0.01 0.00 0.82 0.00 0.00 66.70 65.97 1kx5 h VAL 115 Cb 0.31 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1kx5 h VAL 115 CO -0.00 0.53 -0.11 0.74 0.02 0.00 0.00 177.57 178.75 1kx5 h THR 116 N 0.33 0.84 0.12 2.57 2.02 -1.08 -0.79 112.91 116.92 1kx5 h THR 116 Ca 0.01 -0.79 0.01 0.00 0.77 0.00 0.00 66.41 66.41 1kx5 h THR 116 Cb 1.00 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.64 1kx5 h THR 116 CO 0.09 0.16 -0.37 0.50 0.37 0.00 0.00 175.52 176.27 1kx5 h LYS 117 N -0.72 -0.54 -0.94 6.66 1.63 -1.16 0.55 116.57 122.05 1kx5 h LYS 117 Ca -0.03 0.04 0.27 0.00 -0.85 0.00 0.00 60.65 60.08 1kx5 h LYS 117 Cb 0.49 0.12 -0.17 0.00 -0.60 0.00 0.00 32.23 32.08 1kx5 h LYS 117 CO 0.05 -0.36 0.16 -0.92 -3.45 0.00 0.00 179.45 174.93 1kx5 h TYR 118 N -0.56 0.19 0.73 1.91 3.20 -1.08 -1.17 116.97 120.19 1kx5 h TYR 118 Ca -0.01 0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 1kx5 h TYR 118 Cb 0.55 0.07 0.01 0.00 1.54 0.00 0.00 36.73 38.90 1kx5 h TYR 118 CO -0.38 -0.36 -0.35 1.15 -1.64 0.00 0.00 178.16 176.58 1kx5 h THR 119 N 0.08 0.00 0.00 1.81 2.02 -0.01 -2.50 112.91 114.30 1kx5 h THR 119 Ca 0.61 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.64 1kx5 h THR 119 Cb 1.29 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1kx5 h THR 119 CO -0.80 0.00 0.00 -1.20 0.37 0.00 0.00 175.52 173.89 1kx5 n SER 120 N -5.04 0.65 -4.48 4.18 7.64 0.08 -4.68 113.62 111.95 1kx5 n SER 120 Ca -0.12 -0.65 -0.33 0.00 1.01 0.00 0.00 58.87 58.78 1kx5 n SER 120 Cb 0.39 -0.16 -0.12 0.00 -1.01 0.00 0.00 64.21 63.30 1kx5 n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kx5 s ALA 121 N -0.16 2.89 0.00 -0.43 0.00 -0.80 -5.00 121.76 118.26 1kx5 s ALA 121 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1kx5 s ALA 121 Cb 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.73 1kx5 s ALA 121 CO 0.00 0.31 0.00 1.17 0.00 0.00 0.00 175.76 177.24