#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 0.65 -0.05 0.00 2.20 -1.26 -5.09 119.74 116.19 1kx5 s LYS 2 Ca 0.00 1.06 -0.08 0.00 -0.36 0.00 0.00 55.97 56.59 1kx5 s LYS 2 Cb 0.00 0.16 -0.03 0.00 -1.51 0.00 0.00 37.83 36.45 1kx5 s LYS 2 CO 0.00 -0.13 -0.16 0.43 -0.36 0.00 0.00 175.35 175.13 1kx5 n SER 3 N 3.91 1.25 -4.52 1.43 7.64 -1.26 -5.04 113.62 117.03 1kx5 n SER 3 Ca -0.19 0.20 -0.28 0.00 1.01 0.00 0.00 58.87 59.61 1kx5 n SER 3 Cb 0.58 -0.52 0.24 0.00 -1.01 0.00 0.00 64.21 63.50 1kx5 n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kx5 s ALA 4 N -2.57 -0.20 0.00 -0.43 0.00 -1.26 -4.78 121.76 112.53 1kx5 s ALA 4 Ca -0.14 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.71 1kx5 s ALA 4 Cb 0.02 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1kx5 s ALA 4 CO 0.20 -3.67 0.00 -2.30 0.00 0.00 0.00 175.76 169.99 1kx5 n PRO 5 N -4.80 0.00 -4.72 0.00 -0.02 -1.26 -5.11 135.00 119.09 1kx5 n PRO 5 Ca 0.04 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.20 1kx5 n PRO 5 Cb 0.54 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.95 1kx5 n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kx5 s ALA 6 N -4.00 3.92 0.00 3.55 0.00 -1.26 -4.89 121.76 119.07 1kx5 s ALA 6 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1kx5 s ALA 6 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1kx5 s ALA 6 CO 0.00 -0.09 0.00 -0.35 0.00 0.00 0.00 175.76 175.32 1kx5 n PRO 7 N -1.21 0.00 0.00 0.00 -0.04 -1.26 -5.06 135.00 127.44 1kx5 n PRO 7 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1kx5 n PRO 7 Cb 0.66 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.12 1kx5 n PRO 7 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1kx5 n LYS 8 N 0.00 0.00 -0.02 0.54 4.81 -1.26 -4.91 118.16 117.32 1kx5 n LYS 8 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1kx5 n LYS 8 Cb 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.05 1kx5 n LYS 8 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1kx5 n LYS 9 N 0.00 0.00 -0.33 1.64 4.76 -1.26 -0.48 118.16 122.49 1kx5 n LYS 9 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1kx5 n LYS 9 Cb 0.00 -0.02 0.00 0.00 -1.84 0.00 0.00 35.03 33.17 1kx5 n LYS 9 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1kx5 n GLY 10 N 0.08 0.76 0.00 0.72 0.00 -1.26 -5.12 105.19 100.37 1kx5 n GLY 10 Ca 0.01 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1kx5 n GLY 10 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kx5 n SER 11 N -0.26 0.00 -1.38 1.61 3.41 0.37 -4.91 113.62 112.47 1kx5 n SER 11 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1kx5 n SER 11 Cb 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1kx5 n SER 11 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1kx5 n LYS 12 N 0.00 -3.59 -2.81 4.33 4.76 -1.26 -3.41 118.16 116.18 1kx5 n LYS 12 Ca 0.00 2.64 -0.01 0.00 -2.87 0.00 0.00 58.31 58.08 1kx5 n LYS 12 Cb 0.00 -2.80 -0.01 0.00 -1.84 0.00 0.00 35.03 30.39 1kx5 n LYS 12 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1kx5 n LYS 13 N 0.67 -2.96 -3.88 1.97 4.76 -1.25 -2.83 118.16 114.65 1kx5 n LYS 13 Ca 0.00 2.44 -0.30 0.00 -2.87 0.00 0.00 58.31 57.58 1kx5 n LYS 13 Cb 0.00 -4.31 -0.15 0.00 -1.84 0.00 0.00 35.03 28.73 1kx5 n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1kx5 s ALA 14 N -1.31 2.27 0.00 7.82 0.00 -1.26 -4.47 121.76 124.82 1kx5 s ALA 14 Ca -0.04 -2.16 0.00 0.00 0.00 0.00 0.00 51.96 49.76 1kx5 s ALA 14 Cb 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.31 1kx5 s ALA 14 CO 0.60 -1.69 0.00 0.28 0.00 0.00 0.00 175.76 174.95 1kx5 n VAL 15 N 4.49 0.00 0.00 0.00 0.31 -1.26 -4.49 118.33 117.38 1kx5 n VAL 15 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1kx5 n VAL 15 Cb 0.42 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 1kx5 n VAL 15 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1kx5 n THR 16 N 0.00 0.00 -1.85 2.52 -1.04 -1.26 -5.12 114.28 107.53 1kx5 n THR 16 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1kx5 n THR 16 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1kx5 n THR 16 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1kx5 n LYS 17 N 0.00 -0.47 -4.11 -2.82 2.85 -1.26 -4.93 118.16 107.42 1kx5 n LYS 17 Ca 0.00 0.58 -0.15 0.00 -1.05 0.00 0.00 58.31 57.68 1kx5 n LYS 17 Cb 0.00 -0.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.74 1kx5 n LYS 17 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1kx5 s THR 18 N -0.25 0.34 0.00 0.58 -4.23 -1.26 -4.95 115.64 105.88 1kx5 s THR 18 Ca 0.00 -0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.33 1kx5 s THR 18 Cb 0.00 -0.30 0.00 0.00 1.34 0.00 0.00 72.50 73.54 1kx5 s THR 18 CO 0.00 0.10 0.00 0.00 -0.54 0.00 0.00 174.62 174.18 1kx5 n GLN 19 N 3.03 0.00 -4.17 3.99 1.13 -1.26 -5.05 117.38 115.05 1kx5 n GLN 19 Ca -0.13 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.82 1kx5 n GLN 19 Cb 0.58 -0.39 -0.10 0.00 0.11 0.00 0.00 30.24 30.44 1kx5 n GLN 19 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1kx5 s LYS 20 N 0.00 0.87 0.17 -1.09 2.20 -1.26 -5.07 119.74 115.57 1kx5 s LYS 20 Ca 0.00 -1.37 0.00 0.00 -0.36 0.00 0.00 55.97 54.24 1kx5 s LYS 20 Cb 0.00 -0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.17 1kx5 s LYS 20 CO 0.00 -0.06 0.00 1.63 -0.36 0.00 0.00 175.35 176.56 1kx5 n LYS 21 N -0.07 -4.56 -3.16 4.03 5.02 -1.26 -4.89 118.16 113.27 1kx5 n LYS 21 Ca -0.11 3.32 -0.44 0.00 -2.02 0.00 0.00 58.31 59.07 1kx5 n LYS 21 Cb 0.61 -3.47 -0.06 0.00 -0.02 0.00 0.00 35.03 32.09 1kx5 n LYS 21 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1kx5 s ASP 22 N -0.46 6.23 0.18 4.39 -0.00 -1.26 -5.02 116.67 120.74 1kx5 s ASP 22 Ca 0.00 -0.84 -0.24 0.00 -0.00 0.00 0.00 52.55 51.47 1kx5 s ASP 22 Cb 0.00 -2.29 0.05 0.00 -0.00 0.00 0.00 42.92 40.68 1kx5 s ASP 22 CO 0.00 -0.86 0.91 -0.83 -0.00 0.00 0.00 175.17 174.39 1kx5 s GLY 23 N 2.57 -0.18 -0.65 0.21 0.00 -1.26 -5.06 107.32 102.95 1kx5 s GLY 23 Ca 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 44.72 44.87 1kx5 s GLY 23 CO 0.13 0.04 0.60 0.28 0.00 0.00 0.00 173.10 174.15 1kx5 n LYS 24 N -0.48 -1.23 -2.17 2.90 4.01 -1.26 -4.85 118.16 115.08 1kx5 n LYS 24 Ca -0.06 1.14 -0.41 0.00 -0.51 0.00 0.00 58.31 58.47 1kx5 n LYS 24 Cb 0.60 -4.90 -0.03 0.00 -0.51 0.00 0.00 35.03 30.20 1kx5 n LYS 24 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1kx5 s LYS 25 N -3.28 3.14 -0.12 1.97 3.01 -1.26 -3.78 119.74 119.42 1kx5 s LYS 25 Ca 0.09 0.84 -0.10 0.00 -1.01 0.00 0.00 55.97 55.79 1kx5 s LYS 25 Cb -0.01 -4.21 0.02 0.00 -1.01 0.00 0.00 37.83 32.61 1kx5 s LYS 25 CO 0.59 -2.11 0.17 -2.13 0.51 0.00 0.00 175.35 172.39 1kx5 n ARG 26 N 8.68 -0.56 0.00 1.68 0.63 -1.13 -4.31 116.66 121.65 1kx5 n ARG 26 Ca 0.18 0.54 0.00 0.00 -0.92 0.00 0.00 57.85 57.65 1kx5 n ARG 26 Cb 0.49 -0.73 0.00 0.00 0.45 0.00 0.00 32.46 32.67 1kx5 n ARG 26 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1kx5 n ARG 27 N 0.35 0.00 -2.51 -0.14 3.00 -1.22 -4.89 116.66 111.26 1kx5 n ARG 27 Ca -0.02 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.45 1kx5 n ARG 27 Cb 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.71 1kx5 n ARG 27 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1kx5 s LYS 28 N 0.00 4.35 0.16 -0.14 2.20 -1.26 -4.97 119.74 120.08 1kx5 s LYS 28 Ca 0.00 1.64 -0.30 0.00 -0.36 0.00 0.00 55.97 56.95 1kx5 s LYS 28 Cb 0.00 -2.81 -0.08 0.00 -1.51 0.00 0.00 37.83 33.43 1kx5 s LYS 28 CO 0.00 -0.01 1.24 0.95 -0.36 0.00 0.00 175.35 177.17 1kx5 s THR 29 N -1.44 3.55 0.17 3.43 -4.23 -1.26 -4.93 115.64 110.92 1kx5 s THR 29 Ca 0.52 1.24 -0.31 0.00 -1.18 0.00 0.00 61.69 61.97 1kx5 s THR 29 Cb -0.26 -3.79 -0.09 0.00 1.34 0.00 0.00 72.50 69.69 1kx5 s THR 29 CO 0.33 0.17 1.48 0.00 -0.54 0.00 0.00 174.62 176.06 1kx5 s ARG 30 N 0.14 4.27 -0.37 3.99 1.70 -1.26 -4.99 118.95 122.42 1kx5 s ARG 30 Ca 0.56 2.25 -0.09 0.00 -0.47 0.00 0.00 55.73 57.98 1kx5 s ARG 30 Cb -0.33 -3.17 0.04 0.00 -0.57 0.00 0.00 34.95 30.92 1kx5 s ARG 30 CO 0.35 -0.50 0.19 0.21 -1.08 0.00 0.00 175.30 174.47 1kx5 s LYS 31 N 0.73 2.70 0.62 3.89 2.47 -1.26 -5.09 119.74 123.81 1kx5 s LYS 31 Ca 0.65 -1.20 -0.10 0.00 -1.56 0.00 0.00 55.97 53.76 1kx5 s LYS 31 Cb -0.41 -3.66 -0.02 0.00 -1.46 0.00 0.00 37.83 32.28 1kx5 s LYS 31 CO 0.34 -0.75 1.01 -1.83 0.16 0.00 0.00 175.35 174.27 1kx5 s GLU 32 N 1.48 3.32 0.24 4.03 -1.05 -1.26 -5.09 118.70 120.37 1kx5 s GLU 32 Ca 0.01 0.53 -0.18 0.00 -0.15 0.00 0.00 54.97 55.18 1kx5 s GLU 32 Cb -0.20 -2.12 0.02 0.00 -0.44 0.00 0.00 34.13 31.39 1kx5 s GLU 32 CO 0.04 -0.67 0.60 -1.54 0.95 0.00 0.00 175.26 174.64 1kx5 s SER 33 N -4.23 -0.23 0.00 0.83 1.04 -1.26 -5.02 113.70 104.83 1kx5 s SER 33 Ca 0.55 -0.63 0.27 0.00 0.48 0.00 0.00 55.95 56.62 1kx5 s SER 33 Cb -0.11 0.64 1.07 0.00 0.10 0.00 0.00 66.02 67.73 1kx5 s SER 33 CO 0.51 -1.20 1.75 -1.22 0.98 0.00 0.00 173.24 174.07 1kx5 n TYR 34 N -0.40 0.02 -0.30 5.02 4.02 -1.26 -4.58 117.16 119.68 1kx5 n TYR 34 Ca -0.06 -0.01 0.09 0.00 -0.01 0.00 0.00 57.90 57.91 1kx5 n TYR 34 Cb 0.61 0.00 0.21 0.00 -0.02 0.00 0.00 39.34 40.14 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 4.29 0.93 0.00 -0.72 0.00 -1.95 0.80 119.26 122.61 1kx5 h ALA 35 Ca 0.00 0.29 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 1kx5 h ALA 35 Cb 0.46 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1kx5 h ALA 35 CO 0.00 -0.47 -0.32 -0.84 0.00 0.00 0.00 179.25 177.62 1kx5 h ILE 36 N 0.06 1.13 0.14 0.00 3.07 -1.99 0.36 117.51 120.28 1kx5 h ILE 36 Ca 0.49 -1.13 -0.24 0.00 1.55 0.00 0.00 64.86 65.53 1kx5 h ILE 36 Cb 0.92 1.62 0.03 0.00 -0.27 0.00 0.00 36.82 39.12 1kx5 h ILE 36 CO -0.79 0.31 -1.03 1.88 -1.05 0.00 0.00 178.15 177.46 1kx5 h TYR 37 N 0.00 0.78 -0.78 0.16 -1.99 -1.47 -1.94 116.97 111.74 1kx5 h TYR 37 Ca -0.00 -0.52 0.04 0.00 2.00 0.00 0.00 58.73 60.25 1kx5 h TYR 37 Cb 0.60 -0.05 -0.05 0.00 2.00 0.00 0.00 36.73 39.23 1kx5 h TYR 37 CO 0.00 1.38 0.48 0.28 -0.00 0.00 0.00 178.16 180.30 1kx5 h VAL 38 N -0.05 1.07 -0.78 -2.88 2.07 -0.66 -1.63 116.25 113.40 1kx5 h VAL 38 Ca -0.17 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 1kx5 h VAL 38 Cb 1.77 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 1kx5 h VAL 38 CO 0.20 0.17 0.40 0.22 0.02 0.00 0.00 177.57 178.58 1kx5 h TYR 39 N 0.91 1.09 -0.77 1.57 3.20 -0.90 -0.45 116.97 121.62 1kx5 h TYR 39 Ca 0.33 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.16 1kx5 h TYR 39 Cb 0.09 -0.34 -0.04 0.00 1.54 0.00 0.00 36.73 37.98 1kx5 h TYR 39 CO -0.04 0.78 0.50 0.87 -1.64 0.00 0.00 178.16 178.63 1kx5 h LYS 40 N 1.09 1.03 -0.29 1.82 1.57 -0.81 -2.17 116.57 118.81 1kx5 h LYS 40 Ca 0.27 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.83 1kx5 h LYS 40 Cb 0.07 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 1kx5 h LYS 40 CO -0.04 0.70 -0.39 0.28 -0.57 0.00 0.00 179.45 179.42 1kx5 h VAL 41 N 1.05 1.29 -0.58 0.50 2.07 -0.94 -2.80 116.25 116.85 1kx5 h VAL 41 Ca 0.28 -1.58 0.09 0.00 0.82 0.00 0.00 66.70 66.31 1kx5 h VAL 41 Cb -0.10 1.61 -0.07 0.00 -1.52 0.00 0.00 31.29 31.22 1kx5 h VAL 41 CO -0.06 0.51 0.21 0.25 0.02 0.00 0.00 177.57 178.50 1kx5 h LEU 42 N 0.53 0.20 -1.62 2.57 5.85 -0.83 -0.96 115.31 121.06 1kx5 h LEU 42 Ca 0.03 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1kx5 h LEU 42 Cb 0.98 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1kx5 h LEU 42 CO 0.09 0.13 -0.20 0.11 -0.34 0.00 0.00 178.44 178.23 1kx5 h LYS 43 N 0.39 0.00 -0.38 1.25 1.79 -1.31 0.32 116.57 118.63 1kx5 h LYS 43 Ca 0.29 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.60 1kx5 h LYS 43 Cb 0.35 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 1kx5 h LYS 43 CO -0.29 0.20 -0.39 1.96 -1.08 0.00 0.00 179.45 179.85 1kx5 h GLN 44 N 0.00 0.94 0.04 3.15 4.20 -0.93 -2.96 115.11 119.54 1kx5 h GLN 44 Ca -0.00 -0.50 -0.30 0.00 0.06 0.00 0.00 58.65 57.91 1kx5 h GLN 44 Cb 0.36 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 1kx5 h GLN 44 CO 0.03 1.15 -1.72 -0.39 -0.67 0.00 0.00 178.83 177.23 1kx5 h VAL 45 N 0.76 0.87 -2.26 -0.54 -1.51 -0.92 -3.41 116.25 109.24 1kx5 h VAL 45 Ca 0.06 -2.67 -0.57 0.00 -1.23 0.00 0.00 66.70 62.29 1kx5 h VAL 45 Cb 0.98 2.48 -0.38 0.00 -2.13 0.00 0.00 31.29 32.25 1kx5 h VAL 45 CO 0.10 0.62 -0.99 1.41 -1.23 0.00 0.00 177.57 177.48 1kx5 n HIS 46 N -3.18 -0.93 -0.37 5.19 8.25 0.11 -5.02 115.22 119.26 1kx5 n HIS 46 Ca -0.19 -3.29 0.27 0.00 -0.26 0.00 0.00 57.72 54.25 1kx5 n HIS 46 Cb 1.04 0.20 0.54 0.00 1.12 0.00 0.00 29.99 32.90 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 5.33 0.28 -0.39 -0.41 0.11 -1.67 -1.73 132.00 133.51 1kx5 h PRO 47 Ca 0.23 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.32 1kx5 h PRO 47 Cb 0.91 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1kx5 h PRO 47 CO 0.38 0.18 0.00 -0.25 -0.21 0.00 0.00 178.00 178.10 1kx5 n ASP 48 N -4.74 4.67 -4.58 -2.05 8.00 -1.26 -4.89 116.55 111.69 1kx5 n ASP 48 Ca 0.31 -2.99 -0.34 0.00 0.71 0.00 0.00 54.79 52.47 1kx5 n ASP 48 Cb 1.08 -0.61 -0.11 0.00 -0.02 0.00 0.00 41.12 41.46 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 -2.81 4.14 0.27 -3.53 2.01 -0.65 -5.11 115.64 109.95 1kx5 s THR 49 Ca 0.48 -0.28 0.04 0.00 0.31 0.00 0.00 61.69 62.23 1kx5 s THR 49 Cb 0.37 -2.79 0.04 0.00 0.01 0.00 0.00 72.50 70.13 1kx5 s THR 49 CO 0.12 0.53 0.33 0.61 -0.69 0.00 0.00 174.62 175.52 1kx5 n GLY 50 N 3.03 2.19 3.15 4.40 0.00 -1.26 -4.83 105.19 111.87 1kx5 n GLY 50 Ca -0.18 -2.19 -0.12 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.86 -0.02 0.73 -0.61 2.07 -1.26 -5.16 121.20 116.09 1kx5 s ILE 51 Ca 0.25 0.07 -0.11 0.00 -1.41 0.00 0.00 60.65 59.46 1kx5 s ILE 51 Cb -0.02 -0.44 0.03 0.00 0.13 0.00 0.00 42.46 42.16 1kx5 s ILE 51 CO 0.16 0.03 1.07 -0.94 -1.91 0.00 0.00 174.94 173.35 1kx5 s SER 52 N 0.79 5.01 0.42 4.50 1.04 -1.26 -4.83 113.70 119.36 1kx5 s SER 52 Ca -0.05 1.60 0.11 0.00 0.48 0.00 0.00 55.95 58.09 1kx5 s SER 52 Cb -0.06 -2.41 0.89 0.00 0.10 0.00 0.00 66.02 64.54 1kx5 s SER 52 CO -0.05 -1.68 1.97 0.77 0.98 0.00 0.00 173.24 175.22 1kx5 h SER 53 N -0.88 0.15 -0.29 7.02 4.64 -2.01 0.51 113.55 122.69 1kx5 h SER 53 Ca -0.44 -0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 60.71 1kx5 h SER 53 Cb 1.23 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 1kx5 h SER 53 CO 0.56 0.29 -0.33 0.11 -0.87 0.00 0.00 176.83 176.59 1kx5 h LYS 54 N 0.16 0.82 -0.25 4.77 1.57 -1.99 0.83 116.57 122.47 1kx5 h LYS 54 Ca 0.03 -0.39 -0.14 0.00 -1.87 0.00 0.00 60.65 58.28 1kx5 h LYS 54 Cb 0.30 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1kx5 h LYS 54 CO 0.02 1.02 -0.43 0.00 -0.57 0.00 0.00 179.45 179.49 1kx5 h ALA 55 N 0.94 0.78 -0.37 3.86 0.00 -1.83 -1.48 119.26 121.15 1kx5 h ALA 55 Ca 0.07 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 1kx5 h ALA 55 Cb 0.88 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1kx5 h ALA 55 CO 0.08 0.66 -0.15 1.98 0.00 0.00 0.00 179.25 181.82 1kx5 h MET 56 N 0.51 0.67 -0.62 0.00 1.85 -0.59 -0.33 114.93 116.41 1kx5 h MET 56 Ca 0.04 -0.22 -0.08 0.00 -0.61 0.00 0.00 59.70 58.83 1kx5 h MET 56 Cb 0.95 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 32.90 1kx5 h MET 56 CO 0.09 0.78 0.09 1.03 -0.40 0.00 0.00 176.91 178.49 1kx5 h SER 57 N 0.60 0.97 -0.24 1.39 0.87 -0.53 -0.32 113.55 116.30 1kx5 h SER 57 Ca 0.10 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1kx5 h SER 57 Cb 0.59 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1kx5 h SER 57 CO 0.04 0.98 0.15 0.40 -0.53 0.00 0.00 176.83 177.88 1kx5 h ILE 58 N 0.95 1.08 -0.57 2.23 1.08 -0.79 -2.06 117.51 119.43 1kx5 h ILE 58 Ca 0.19 -0.17 -0.01 0.00 -0.39 0.00 0.00 64.86 64.47 1kx5 h ILE 58 Cb 0.43 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 34.91 1kx5 h ILE 58 CO 0.01 0.08 0.30 0.24 -0.69 0.00 0.00 178.15 178.09 1kx5 h MET 59 N 0.32 0.79 -0.60 2.37 2.86 -0.53 -0.07 114.93 120.08 1kx5 h MET 59 Ca 0.09 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 1kx5 h MET 59 Cb -0.01 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 1kx5 h MET 59 CO -0.02 0.60 0.08 -0.97 1.06 0.00 0.00 176.91 177.66 1kx5 h ASN 60 N 0.80 0.96 -0.65 1.22 -1.24 -0.85 -0.51 115.58 115.32 1kx5 h ASN 60 Ca 0.20 -0.27 -0.05 0.00 0.71 0.00 0.00 56.30 56.89 1kx5 h ASN 60 Cb 0.05 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 38.81 1kx5 h ASN 60 CO -0.03 0.99 0.19 0.28 -1.29 0.00 0.00 177.43 177.57 1kx5 h SER 61 N 0.90 0.95 0.27 1.15 0.02 -0.78 -1.72 113.55 114.34 1kx5 h SER 61 Ca 0.18 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1kx5 h SER 61 Cb 0.45 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1kx5 h SER 61 CO 0.01 0.92 -0.13 0.15 -1.14 0.00 0.00 176.83 176.64 1kx5 h PHE 62 N 0.94 -0.33 -0.58 3.45 3.57 -0.69 0.46 116.94 123.76 1kx5 h PHE 62 Ca 0.21 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.73 1kx5 h PHE 62 Cb 0.31 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 1kx5 h PHE 62 CO 0.02 -0.12 0.35 0.28 -2.23 0.00 0.00 178.31 176.61 1kx5 h VAL 63 N -0.48 1.06 -0.60 1.41 2.07 -1.05 -1.25 116.25 117.41 1kx5 h VAL 63 Ca -0.04 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 1kx5 h VAL 63 Cb 0.36 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1kx5 h VAL 63 CO 0.06 0.13 0.18 0.78 0.02 0.00 0.00 177.57 178.74 1kx5 h ASN 64 N 0.69 0.84 -0.03 0.57 2.35 -1.17 -0.74 115.58 118.09 1kx5 h ASN 64 Ca 0.24 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1kx5 h ASN 64 Cb 0.03 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 1kx5 h ASN 64 CO -0.11 0.79 0.00 -0.78 -1.65 0.00 0.00 177.43 175.69 1kx5 h ASP 65 N 0.88 0.05 -0.65 5.81 3.58 -0.46 -1.19 116.42 124.44 1kx5 h ASP 65 Ca 0.20 -0.28 -0.07 0.00 0.42 0.00 0.00 57.03 57.30 1kx5 h ASP 65 Cb 0.26 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 1kx5 h ASP 65 CO -0.01 0.32 0.14 0.58 -2.88 0.00 0.00 179.24 177.38 1kx5 h VAL 66 N -0.22 1.26 0.02 2.25 2.07 -1.18 0.12 116.25 120.57 1kx5 h VAL 66 Ca 0.01 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.57 1kx5 h VAL 66 Cb 0.29 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1kx5 h VAL 66 CO 0.00 0.37 -0.17 0.15 0.02 0.00 0.00 177.57 177.94 1kx5 h PHE 67 N 1.02 -0.44 -0.89 1.57 3.57 -1.05 0.02 116.94 120.73 1kx5 h PHE 67 Ca 0.21 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 1kx5 h PHE 67 Cb 0.39 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.29 1kx5 h PHE 67 CO 0.03 -0.25 0.48 0.93 -2.23 0.00 0.00 178.31 177.27 1kx5 h GLU 68 N -0.29 1.26 -0.15 1.11 5.08 -0.83 0.83 114.58 121.59 1kx5 h GLU 68 Ca 0.05 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1kx5 h GLU 68 Cb 0.35 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1kx5 h GLU 68 CO -0.15 0.92 0.02 0.00 -1.00 0.00 0.00 179.01 178.81 1kx5 h ARG 69 N 1.26 0.25 -0.23 2.33 3.08 -0.40 -0.07 114.38 120.59 1kx5 h ARG 69 Ca 0.31 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 1kx5 h ARG 69 Cb 0.04 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1kx5 h ARG 69 CO -0.05 0.43 0.07 0.82 -1.07 0.00 0.00 179.97 180.16 1kx5 h ILE 70 N 0.03 1.20 -0.68 2.04 2.04 -0.86 -1.82 117.51 119.46 1kx5 h ILE 70 Ca 0.05 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 1kx5 h ILE 70 Cb 0.30 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1kx5 h ILE 70 CO 0.00 0.20 0.31 0.00 0.00 0.00 0.00 178.15 178.67 1kx5 h ALA 71 N 0.89 1.27 -0.36 1.87 0.00 -0.79 -0.38 119.26 121.76 1kx5 h ALA 71 Ca 0.07 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1kx5 h ALA 71 Cb 0.25 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1kx5 h ALA 71 CO -0.00 0.56 0.06 0.78 0.00 0.00 0.00 179.25 180.65 1kx5 h GLY 72 N 1.04 0.63 0.98 0.00 0.00 -0.92 -0.13 103.07 104.67 1kx5 h GLY 72 Ca 0.24 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1kx5 h GLY 72 CO -0.03 0.39 0.27 0.83 0.00 0.00 0.00 176.54 177.99 1kx5 h GLU 73 N 0.43 0.74 -0.77 4.80 4.39 -0.99 -1.66 114.58 121.52 1kx5 h GLU 73 Ca 0.11 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1kx5 h GLU 73 Cb 0.35 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 1kx5 h GLU 73 CO 0.01 0.60 0.42 0.00 -1.16 0.00 0.00 179.01 178.88 1kx5 h ALA 74 N 1.10 0.99 0.02 3.43 0.00 -0.90 -0.37 119.26 123.53 1kx5 h ALA 74 Ca 0.18 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1kx5 h ALA 74 Cb 0.09 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1kx5 h ALA 74 CO -0.03 0.50 -0.13 1.03 0.00 0.00 0.00 179.25 180.62 1kx5 h SER 75 N 1.07 -0.38 -0.39 0.00 0.87 -0.70 -0.17 113.55 113.86 1kx5 h SER 75 Ca 0.27 0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.90 1kx5 h SER 75 Cb 0.03 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 1kx5 h SER 75 CO -0.04 -0.19 0.24 0.03 -0.53 0.00 0.00 176.83 176.34 1kx5 h ARG 76 N -0.23 0.48 -0.19 2.24 3.08 -1.10 -0.83 114.38 117.82 1kx5 h ARG 76 Ca 0.04 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.10 1kx5 h ARG 76 Cb 0.28 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 1kx5 h ARG 76 CO -0.12 0.32 -0.06 -0.07 -1.07 0.00 0.00 179.97 178.97 1kx5 h LEU 77 N 0.49 -0.22 -0.38 3.04 3.38 -0.82 0.19 115.31 121.00 1kx5 h LEU 77 Ca 0.15 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.20 1kx5 h LEU 77 Cb -0.03 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1kx5 h LEU 77 CO -0.05 -0.08 0.20 0.00 0.09 0.00 0.00 178.44 178.60 1kx5 h ALA 78 N 1.16 0.47 -0.60 1.53 0.00 -0.70 -2.30 119.26 118.83 1kx5 h ALA 78 Ca 0.10 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1kx5 h ALA 78 Cb 0.17 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1kx5 h ALA 78 CO -0.21 -0.16 0.20 0.45 0.00 0.00 0.00 179.25 179.53 1kx5 h HIS 79 N 0.40 0.94 -0.24 0.00 3.86 -0.75 0.90 115.15 120.27 1kx5 h HIS 79 Ca 0.16 -0.09 0.04 0.00 -1.16 0.00 0.00 60.37 59.32 1kx5 h HIS 79 Cb 0.05 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.23 1kx5 h HIS 79 CO -0.09 0.78 0.16 1.88 0.86 0.00 0.00 177.93 181.52 1kx5 h TYR 80 N 0.84 0.14 -0.70 2.45 0.99 -0.41 -0.93 116.97 119.36 1kx5 h TYR 80 Ca 0.19 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.93 1kx5 h TYR 80 Cb 0.26 -0.05 0.00 0.00 1.00 0.00 0.00 36.73 37.95 1kx5 h TYR 80 CO 0.02 0.08 0.00 0.09 -0.00 0.00 0.00 178.16 178.35 1kx5 n ASN 81 N -4.49 4.25 -3.80 3.88 3.02 -0.88 -4.96 115.26 112.28 1kx5 n ASN 81 Ca 0.02 -2.17 -0.25 0.00 -0.03 0.00 0.00 54.58 52.15 1kx5 n ASN 81 Cb 0.21 -0.52 0.03 0.00 -0.61 0.00 0.00 39.78 38.89 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 1.44 -5.20 -4.99 3.52 4.01 -0.35 -4.99 118.16 111.60 1kx5 n LYS 82 Ca 0.25 0.61 -0.32 0.00 -0.51 0.00 0.00 58.31 58.33 1kx5 n LYS 82 Cb 0.72 -5.31 -0.14 0.00 -0.51 0.00 0.00 35.03 29.80 1kx5 n LYS 82 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1kx5 s ARG 83 N -6.27 2.45 0.00 1.97 1.81 0.22 -5.02 118.95 114.12 1kx5 s ARG 83 Ca 0.29 -0.75 0.23 0.00 -1.72 0.00 0.00 55.73 53.78 1kx5 s ARG 83 Cb -0.15 -2.31 0.44 0.00 -0.45 0.00 0.00 34.95 32.49 1kx5 s ARG 83 CO 0.82 0.59 1.41 -1.13 -0.68 0.00 0.00 175.30 176.31 1kx5 n SER 84 N 2.40 3.46 -4.19 0.23 3.41 -1.26 -4.22 113.62 113.44 1kx5 n SER 84 Ca -0.17 -1.99 -0.32 0.00 -0.26 0.00 0.00 58.87 56.13 1kx5 n SER 84 Cb 0.52 -0.25 -0.17 0.00 -0.26 0.00 0.00 64.21 64.05 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 -1.50 2.00 -0.34 6.66 2.01 -1.26 -5.08 115.64 118.13 1kx5 s THR 85 Ca 0.39 -0.98 -0.18 0.00 0.31 0.00 0.00 61.69 61.23 1kx5 s THR 85 Cb 0.23 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.99 1kx5 s THR 85 CO 0.32 0.55 0.51 -0.63 -0.69 0.00 0.00 174.62 174.68 1kx5 s ILE 86 N 0.49 5.02 0.55 1.82 1.01 -1.26 -4.94 121.20 123.90 1kx5 s ILE 86 Ca -0.15 0.40 0.06 0.00 0.00 0.00 0.00 60.65 60.96 1kx5 s ILE 86 Cb -0.17 -3.95 0.05 0.00 0.01 0.00 0.00 42.46 38.40 1kx5 s ILE 86 CO 0.06 -0.18 0.49 0.42 0.00 0.00 0.00 174.94 175.73 1kx5 s THR 87 N 2.38 1.75 0.44 2.92 -4.23 -1.26 -4.98 115.64 112.67 1kx5 s THR 87 Ca 0.19 -1.38 0.40 0.00 -1.18 0.00 0.00 61.69 59.72 1kx5 s THR 87 Cb -0.15 -2.14 0.42 0.00 1.34 0.00 0.00 72.50 71.97 1kx5 s THR 87 CO 0.13 0.00 2.22 0.77 -0.54 0.00 0.00 174.62 177.20 1kx5 h SER 88 N 0.62 0.00 0.05 3.99 4.64 -1.99 -1.41 113.55 119.45 1kx5 h SER 88 Ca -0.35 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.81 1kx5 h SER 88 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 1kx5 h SER 88 CO 0.54 0.00 -0.56 -0.09 -0.87 0.00 0.00 176.83 175.85 1kx5 h ARG 89 N 0.00 0.53 -0.12 4.77 2.43 -1.99 0.34 114.38 120.35 1kx5 h ARG 89 Ca 0.00 -0.34 -0.17 0.00 -0.81 0.00 0.00 59.98 58.66 1kx5 h ARG 89 Cb 0.18 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1kx5 h ARG 89 CO 0.00 0.95 -0.64 0.93 -1.51 0.00 0.00 179.97 179.69 1kx5 h GLU 90 N 0.41 0.45 -0.28 0.20 3.07 -1.66 -1.95 114.58 114.81 1kx5 h GLU 90 Ca 0.01 -0.32 -0.04 0.00 -0.50 0.00 0.00 59.36 58.51 1kx5 h GLU 90 Cb 1.10 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.05 1kx5 h GLU 90 CO 0.10 0.94 0.02 0.82 -1.40 0.00 0.00 179.01 179.50 1kx5 h ILE 91 N 0.32 1.24 -0.40 3.13 1.08 -1.18 -0.85 117.51 120.87 1kx5 h ILE 91 Ca -0.01 -0.85 0.02 0.00 -0.39 0.00 0.00 64.86 63.62 1kx5 h ILE 91 Cb 1.20 1.26 -0.03 0.00 -3.07 0.00 0.00 36.82 36.18 1kx5 h ILE 91 CO 0.11 0.27 0.23 -0.61 -0.69 0.00 0.00 178.15 177.46 1kx5 h GLN 92 N 0.28 0.45 -0.55 2.37 4.15 -0.86 0.74 115.11 121.68 1kx5 h GLN 92 Ca 0.08 -0.03 -0.12 0.00 0.77 0.00 0.00 58.65 59.36 1kx5 h GLN 92 Cb 0.38 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 1kx5 h GLN 92 CO 0.01 0.30 -0.10 1.15 -1.93 0.00 0.00 178.83 178.25 1kx5 h THR 93 N 0.46 1.27 -0.95 2.39 2.02 -1.30 -1.56 112.91 115.24 1kx5 h THR 93 Ca 0.16 -1.27 0.03 0.00 0.77 0.00 0.00 66.41 66.10 1kx5 h THR 93 Cb 0.03 0.95 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 1kx5 h THR 93 CO -0.09 0.45 0.62 0.00 0.37 0.00 0.00 175.52 176.88 1kx5 h ALA 94 N 0.93 1.38 -0.54 6.16 0.00 -0.65 -0.83 119.26 125.70 1kx5 h ALA 94 Ca 0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1kx5 h ALA 94 Cb 0.68 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1kx5 h ALA 94 CO 0.05 0.54 0.22 0.28 0.00 0.00 0.00 179.25 180.34 1kx5 h VAL 95 N 1.22 1.22 -0.31 0.00 2.07 -0.52 0.94 116.25 120.86 1kx5 h VAL 95 Ca 0.37 -0.66 -0.08 0.00 0.82 0.00 0.00 66.70 67.15 1kx5 h VAL 95 Cb -0.02 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1kx5 h VAL 95 CO -0.11 0.25 -0.15 0.03 0.02 0.00 0.00 177.57 177.62 1kx5 h ARG 96 N 0.73 0.54 -0.25 1.57 3.08 -0.46 -0.27 114.38 119.32 1kx5 h ARG 96 Ca 0.18 -0.17 -0.17 0.00 0.07 0.00 0.00 59.98 59.89 1kx5 h ARG 96 Cb 0.19 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1kx5 h ARG 96 CO -0.02 0.68 -0.49 -0.07 -1.07 0.00 0.00 179.97 179.00 1kx5 h LEU 97 N 0.50 0.87 0.16 3.04 3.38 -0.87 -3.37 115.31 119.02 1kx5 h LEU 97 Ca 0.09 -0.54 -0.32 0.00 0.09 0.00 0.00 57.88 57.20 1kx5 h LEU 97 Cb 0.54 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.05 1kx5 h LEU 97 CO 0.03 1.25 -1.56 0.25 0.09 0.00 0.00 178.44 178.50 1kx5 h LEU 98 N 0.52 0.53 -9.88 1.67 5.85 -0.64 -3.47 115.31 109.88 1kx5 h LEU 98 Ca 0.01 -0.69 -0.56 0.00 0.84 0.00 0.00 57.88 57.48 1kx5 h LEU 98 Cb 1.10 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 1kx5 h LEU 98 CO 0.11 1.57 -0.13 -0.76 -0.34 0.00 0.00 178.44 178.89 1kx5 s LEU 99 N -7.18 4.29 0.49 2.25 1.43 -0.13 -5.06 118.68 114.77 1kx5 s LEU 99 Ca -0.10 0.97 -0.20 0.00 -1.03 0.00 0.00 54.13 53.77 1kx5 s LEU 99 Cb 0.06 -3.35 -0.09 0.00 0.03 0.00 0.00 46.19 42.85 1kx5 s LEU 99 CO 0.87 0.06 1.02 -2.16 0.23 0.00 0.00 176.35 176.37 1kx5 s PRO 100 N -2.23 3.85 0.00 1.29 0.04 -1.26 -4.50 135.00 132.19 1kx5 s PRO 100 Ca 0.40 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1kx5 s PRO 100 Cb -0.14 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1kx5 s PRO 100 CO 0.20 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.27 1kx5 n GLY 101 N -0.45 0.00 0.32 0.56 0.00 -1.26 -1.67 105.19 102.70 1kx5 n GLY 101 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.11 1kx5 n GLY 101 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1kx5 h GLU 102 N 0.00 0.85 -0.39 1.61 4.39 -1.99 -1.91 114.58 117.14 1kx5 h GLU 102 Ca 0.00 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1kx5 h GLU 102 Cb 0.00 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 1kx5 h GLU 102 CO 0.00 0.64 0.15 -0.07 -1.16 0.00 0.00 179.01 178.57 1kx5 h LEU 103 N 0.85 0.54 -0.81 1.33 3.38 -1.68 -1.40 115.31 117.52 1kx5 h LEU 103 Ca 0.22 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1kx5 h LEU 103 Cb 0.05 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1kx5 h LEU 103 CO -0.03 0.56 0.35 0.00 0.09 0.00 0.00 178.44 179.41 1kx5 h ALA 104 N 1.00 1.05 -0.29 1.53 0.00 -1.00 0.06 119.26 121.61 1kx5 h ALA 104 Ca 0.13 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1kx5 h ALA 104 Cb 0.19 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1kx5 h ALA 104 CO -0.01 0.65 0.14 0.87 0.00 0.00 0.00 179.25 180.89 1kx5 h LYS 105 N 1.16 0.29 -0.07 0.00 1.57 -1.06 0.16 116.57 118.62 1kx5 h LYS 105 Ca 0.27 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.86 1kx5 h LYS 105 Cb 0.17 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1kx5 h LYS 105 CO -0.03 0.19 -0.72 0.45 -0.57 0.00 0.00 179.45 178.77 1kx5 h HIS 106 N 0.29 0.51 -0.39 -1.35 3.86 -1.14 -2.52 115.15 114.41 1kx5 h HIS 106 Ca 0.12 -0.23 -0.03 0.00 -1.16 0.00 0.00 60.37 59.07 1kx5 h HIS 106 Cb 0.04 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 1kx5 h HIS 106 CO -0.10 0.98 0.13 0.00 0.86 0.00 0.00 177.93 179.80 1kx5 h ALA 107 N 0.96 0.52 -0.60 2.45 0.00 -0.65 -1.62 119.26 120.31 1kx5 h ALA 107 Ca -0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1kx5 h ALA 107 Cb 1.29 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1kx5 h ALA 107 CO 0.12 0.15 0.37 0.28 0.00 0.00 0.00 179.25 180.17 1kx5 h VAL 108 N 0.49 1.18 -0.10 0.00 2.07 -0.68 0.33 116.25 119.53 1kx5 h VAL 108 Ca 0.13 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.27 1kx5 h VAL 108 Cb 0.24 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1kx5 h VAL 108 CO -0.01 0.18 0.03 -1.28 0.02 0.00 0.00 177.57 176.52 1kx5 h SER 109 N 0.82 0.03 -0.68 0.57 0.87 -1.27 0.07 113.55 113.97 1kx5 h SER 109 Ca 0.22 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.72 1kx5 h SER 109 Cb -0.02 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 1kx5 h SER 109 CO -0.04 0.03 0.16 -0.33 -0.53 0.00 0.00 176.83 176.12 1kx5 h GLU 110 N 0.08 1.09 -0.42 2.24 4.39 -1.14 -0.46 114.58 120.36 1kx5 h GLU 110 Ca 0.04 -0.27 -0.06 0.00 0.34 0.00 0.00 59.36 59.42 1kx5 h GLU 110 Cb 0.02 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 1kx5 h GLU 110 CO -0.05 0.98 0.05 0.78 -1.16 0.00 0.00 179.01 179.61 1kx5 h GLY 111 N 1.02 0.77 0.86 -3.84 0.00 -0.71 -1.07 103.07 100.11 1kx5 h GLY 111 Ca 0.21 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1kx5 h GLY 111 CO 0.00 0.49 0.05 -0.84 0.00 0.00 0.00 176.54 176.25 1kx5 h THR 112 N 0.57 1.20 -0.80 4.70 2.02 -0.87 -1.76 112.91 117.97 1kx5 h THR 112 Ca 0.13 -0.64 0.07 0.00 0.77 0.00 0.00 66.41 66.73 1kx5 h THR 112 Cb 0.41 1.25 -0.06 0.00 -1.74 0.00 0.00 68.15 68.01 1kx5 h THR 112 CO 0.01 0.20 0.48 0.50 0.37 0.00 0.00 175.52 177.08 1kx5 h LYS 113 N 0.14 0.83 -0.55 6.66 3.64 -1.04 -0.37 116.57 125.89 1kx5 h LYS 113 Ca 0.06 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 1kx5 h LYS 113 Cb 0.26 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1kx5 h LYS 113 CO 0.00 0.55 0.01 0.00 -2.27 0.00 0.00 179.45 177.74 1kx5 h ALA 114 N 1.39 0.74 -0.41 5.00 0.00 -0.89 -1.69 119.26 123.39 1kx5 h ALA 114 Ca 0.35 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1kx5 h ALA 114 Cb 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1kx5 h ALA 114 CO -0.19 0.56 -0.26 0.28 0.00 0.00 0.00 179.25 179.64 1kx5 h VAL 115 N 0.85 1.28 -0.69 0.00 2.07 -0.88 -0.13 116.25 118.75 1kx5 h VAL 115 Ca 0.16 -1.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 1kx5 h VAL 115 Cb 0.53 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1kx5 h VAL 115 CO 0.03 0.48 0.39 0.74 0.02 0.00 0.00 177.57 179.22 1kx5 h THR 116 N 0.73 1.21 0.13 2.57 2.02 -0.99 -1.29 112.91 117.28 1kx5 h THR 116 Ca 0.08 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 1kx5 h THR 116 Cb 0.84 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1kx5 h THR 116 CO 0.07 0.23 -0.06 0.50 0.37 0.00 0.00 175.52 176.63 1kx5 h LYS 117 N 0.94 -0.17 -0.91 6.66 3.64 -1.17 -2.21 116.57 123.34 1kx5 h LYS 117 Ca 0.24 0.01 0.18 0.00 -1.27 0.00 0.00 60.65 59.82 1kx5 h LYS 117 Cb 0.02 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 31.78 1kx5 h LYS 117 CO -0.04 0.05 0.48 -0.92 -2.27 0.00 0.00 179.45 176.75 1kx5 h TYR 118 N -0.37 0.83 -0.00 1.91 3.20 -0.82 -0.03 116.97 121.69 1kx5 h TYR 118 Ca -0.02 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1kx5 h TYR 118 Cb 0.30 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.34 1kx5 h TYR 118 CO -0.01 0.13 -0.11 0.25 -1.64 0.00 0.00 178.16 176.78 1kx5 n THR 119 N -4.89 0.00 1.34 1.81 -2.24 -0.50 -3.30 114.28 106.49 1kx5 n THR 119 Ca 0.21 -0.03 0.14 0.00 -2.27 0.00 0.00 64.05 62.09 1kx5 n THR 119 Cb 0.55 -0.21 0.49 0.00 -2.10 0.00 0.00 70.33 69.06 1kx5 n THR 119 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1kx5 n SER 120 N -1.15 0.84 -4.82 3.42 3.41 -0.03 -4.87 113.62 110.41 1kx5 n SER 120 Ca 0.13 -0.82 -0.32 0.00 -0.26 0.00 0.00 58.87 57.59 1kx5 n SER 120 Cb 0.28 0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.21 1kx5 n SER 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kx5 s ALA 121 N -2.44 3.70 0.00 7.33 0.00 -1.21 -5.09 121.76 124.06 1kx5 s ALA 121 Ca 0.28 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1kx5 s ALA 121 Cb 0.20 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.67 1kx5 s ALA 121 CO 0.48 0.73 0.00 1.63 0.00 0.00 0.00 175.76 178.60