#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kit h LYS 2 N 0.00 -0.66 -6.47 0.03 1.79 -1.85 -3.40 116.57 106.01 3kit h LYS 2 Ca 0.00 0.04 -0.69 0.00 -2.18 0.00 0.00 60.65 57.82 3kit h LYS 2 Cb 0.00 0.15 -0.24 0.00 -1.58 0.00 0.00 32.23 30.56 3kit h LYS 2 CO 0.00 -0.44 -0.81 0.08 -1.08 0.00 0.00 179.45 177.20 3kit s VAL 3 N -5.75 2.75 -0.12 0.50 1.01 -1.26 -0.04 120.40 117.48 3kit s VAL 3 Ca -0.16 -0.97 -0.33 0.00 0.00 0.00 0.00 61.98 60.52 3kit s VAL 3 Cb 0.07 -2.08 0.13 0.00 0.00 0.00 0.00 36.38 34.50 3kit s VAL 3 CO 0.61 0.50 1.25 0.00 0.00 0.00 0.00 175.10 177.46 3kit s ARG 4 N -0.95 0.33 0.11 2.72 1.70 -1.23 -4.97 118.95 116.66 3kit s ARG 4 Ca 0.12 -0.15 -0.06 0.00 -0.47 0.00 0.00 55.73 55.17 3kit s ARG 4 Cb -0.10 0.13 -0.17 0.00 -0.57 0.00 0.00 34.95 34.24 3kit s ARG 4 CO 0.02 -0.15 1.24 0.00 -1.08 0.00 0.00 175.30 175.33 3kit h ALA 5 N 2.00 0.25 -2.80 7.88 0.00 -1.92 -2.38 119.26 122.28 3kit h ALA 5 Ca -0.17 -0.75 -0.71 0.00 0.00 0.00 0.00 54.91 53.27 3kit h ALA 5 Cb 1.18 0.01 -0.27 0.00 0.00 0.00 0.00 17.79 18.71 3kit h ALA 5 CO 0.25 0.82 -0.49 0.45 0.00 0.00 0.00 179.25 180.28 3kit s SER 6 N -7.16 5.66 -0.18 0.00 0.15 -1.26 -4.83 113.70 106.09 3kit s SER 6 Ca -0.06 -1.32 -0.03 0.00 0.70 0.00 0.00 55.95 55.24 3kit s SER 6 Cb 0.08 -2.00 -0.02 0.00 -1.71 0.00 0.00 66.02 62.37 3kit s SER 6 CO 0.88 -0.48 -0.05 -0.69 1.20 0.00 0.00 173.24 174.10 3kit s VAL 7 N 1.47 3.55 0.13 4.45 1.01 -1.26 -5.06 120.40 124.70 3kit s VAL 7 Ca 0.02 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.55 3kit s VAL 7 Cb -0.22 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3kit s VAL 7 CO 0.04 0.46 -0.00 -0.54 0.00 0.00 0.00 175.10 175.06 3kit s LYS 8 N 0.85 0.96 0.17 2.72 1.02 -1.26 -5.08 119.74 119.10 3kit s LYS 8 Ca -0.01 -1.44 -0.30 0.00 0.02 0.00 0.00 55.97 54.24 3kit s LYS 8 Cb -0.15 -0.08 -0.08 0.00 -0.52 0.00 0.00 37.83 37.01 3kit s LYS 8 CO 0.01 -0.14 1.24 1.03 -0.92 0.00 0.00 175.35 176.57 3kit s ARG 9 N -3.93 4.45 -0.15 1.68 0.52 -1.26 -4.96 118.95 115.29 3kit s ARG 9 Ca 0.20 1.91 -0.12 0.00 -0.52 0.00 0.00 55.73 57.20 3kit s ARG 9 Cb 0.06 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 32.25 3kit s ARG 9 CO 0.00 -0.17 -0.22 -0.89 0.02 0.00 0.00 175.30 174.04 3kit n ILE 10 N 2.83 1.44 -4.40 1.52 5.41 -1.26 -5.02 119.36 119.88 3kit n ILE 10 Ca 0.06 0.19 -0.27 0.00 1.00 0.00 0.00 62.75 63.72 3kit n ILE 10 Cb 0.44 -2.37 -0.09 0.00 -0.71 0.00 0.00 39.64 36.92 3kit n ILE 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kit h ASP 12 N 1.53 0.00 0.46 0.00 2.03 -2.04 -1.18 116.42 117.22 3kit h ASP 12 Ca -0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 3kit h ASP 12 Cb 1.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 3kit h ASP 12 CO 0.75 0.00 -0.19 0.29 -1.03 0.00 0.00 179.24 179.06 3kit n LYS 13 N -2.87 0.48 -2.46 4.15 5.02 -1.26 -4.87 118.16 116.35 3kit n LYS 13 Ca -0.02 -0.19 -0.42 0.00 -2.02 0.00 0.00 58.31 55.65 3kit n LYS 13 Cb 0.12 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 3kit n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kit s LYS 15 N 2.18 2.42 -0.78 0.00 1.02 -0.35 -4.93 119.74 119.31 3kit s LYS 15 Ca 0.56 -0.86 -0.07 0.00 0.02 0.00 0.00 55.97 55.62 3kit s LYS 15 Cb -0.25 -2.46 0.20 0.00 -0.52 0.00 0.00 37.83 34.81 3kit s LYS 15 CO 0.22 0.55 0.66 0.08 -0.92 0.00 0.00 175.35 175.94 3kit s VAL 16 N -1.18 4.60 0.54 3.17 1.01 -1.26 -1.38 120.40 125.90 3kit s VAL 16 Ca 0.22 -3.01 -0.07 0.00 0.00 0.00 0.00 61.98 59.11 3kit s VAL 16 Cb -0.11 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 3kit s VAL 16 CO 0.13 -0.99 0.89 -0.63 0.00 0.00 0.00 175.10 174.50 3kit s ILE 17 N -0.33 4.74 -0.35 2.22 -1.09 -1.18 -4.94 121.20 120.27 3kit s ILE 17 Ca 0.20 0.44 -0.00 0.00 -2.23 0.00 0.00 60.65 59.06 3kit s ILE 17 Cb -0.14 -3.84 0.12 0.00 -1.58 0.00 0.00 42.46 37.03 3kit s ILE 17 CO -0.07 -0.93 0.18 -0.60 -1.23 0.00 0.00 174.94 172.28 3kit s ARG 18 N -4.93 0.70 -0.08 2.79 3.52 -1.26 -1.39 118.95 118.30 3kit s ARG 18 Ca 0.51 -1.29 0.04 0.00 -0.13 0.00 0.00 55.73 54.86 3kit s ARG 18 Cb -0.11 -1.69 -0.00 0.00 -1.56 0.00 0.00 34.95 31.59 3kit s ARG 18 CO 0.48 -1.11 -0.22 -0.98 -0.81 0.00 0.00 175.30 172.66 3kit s ARG 19 N 1.21 2.66 -0.95 5.12 1.70 -0.80 -4.77 118.95 123.11 3kit s ARG 19 Ca 0.14 -0.81 -0.01 0.00 -0.47 0.00 0.00 55.73 54.58 3kit s ARG 19 Cb -0.21 -2.09 0.00 0.00 -0.57 0.00 0.00 34.95 32.08 3kit s ARG 19 CO -0.12 0.22 0.80 0.72 -1.08 0.00 0.00 175.30 175.84 3kit n HIS 20 N 3.38 -1.81 0.00 5.89 8.25 -1.26 -3.05 115.22 126.62 3kit n HIS 20 Ca -0.19 0.74 0.00 0.00 -0.26 0.00 0.00 57.72 58.01 3kit n HIS 20 Cb 0.53 -4.34 0.00 0.00 1.12 0.00 0.00 29.99 27.30 3kit n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kit n GLY 21 N -1.22 1.78 3.74 -1.41 0.00 -1.26 -4.98 105.19 101.84 3kit n GLY 21 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 3kit n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kit s ARG 22 N 0.00 2.74 -0.33 1.61 0.52 -1.17 -5.10 118.95 117.21 3kit s ARG 22 Ca 0.00 -0.79 -0.15 0.00 -0.52 0.00 0.00 55.73 54.27 3kit s ARG 22 Cb 0.00 -2.63 -0.02 0.00 0.52 0.00 0.00 34.95 32.83 3kit s ARG 22 CO 0.00 0.54 0.36 0.08 0.02 0.00 0.00 175.30 176.29 3kit s VAL 23 N -1.44 5.17 0.43 3.52 1.01 -1.26 -1.90 120.40 125.93 3kit s VAL 23 Ca 0.28 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.40 3kit s VAL 23 Cb -0.11 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 32.50 3kit s VAL 23 CO 0.21 -0.06 0.32 -1.22 0.00 0.00 0.00 175.10 174.35 3kit n TYR 24 N 5.36 -0.81 -3.45 5.22 4.02 -0.49 -1.03 117.16 125.99 3kit n TYR 24 Ca -0.09 -1.80 -0.17 0.00 -0.01 0.00 0.00 57.90 55.82 3kit n TYR 24 Cb 0.50 -0.35 -0.11 0.00 -0.02 0.00 0.00 39.34 39.35 3kit n TYR 24 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3kit s VAL 25 N -2.11 -0.37 0.26 -0.72 1.01 -1.16 -3.12 120.40 114.17 3kit s VAL 25 Ca 0.24 -0.25 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 3kit s VAL 25 Cb -0.02 -0.80 -0.06 0.00 0.00 0.00 0.00 36.38 35.50 3kit s VAL 25 CO 0.15 -0.29 0.54 -0.63 0.00 0.00 0.00 175.10 174.87 3kit s ILE 26 N 2.36 5.01 0.32 2.22 1.01 -0.48 -2.26 121.20 129.37 3kit s ILE 26 Ca 0.08 0.19 -0.14 0.00 0.00 0.00 0.00 60.65 60.78 3kit s ILE 26 Cb -0.15 -3.68 0.03 0.00 0.01 0.00 0.00 42.46 38.66 3kit s ILE 26 CO -0.20 -0.20 0.66 0.00 0.00 0.00 0.00 174.94 175.19 3kit h GLU 28 N 2.07 -0.14 -5.83 0.00 4.81 -1.99 -3.44 114.58 110.06 3kit h GLU 28 Ca -0.27 0.01 -0.59 0.00 -0.13 0.00 0.00 59.36 58.38 3kit h GLU 28 Cb 1.25 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.59 3kit h GLU 28 CO 0.35 0.37 -0.17 0.54 -0.73 0.00 0.00 179.01 179.37 3kit s ASN 29 N -5.62 6.73 0.17 1.04 2.20 -1.26 -5.02 114.94 113.18 3kit s ASN 29 Ca -0.14 0.86 -0.21 0.00 -0.94 0.00 0.00 52.86 52.43 3kit s ASN 29 Cb 0.00 -2.27 0.08 0.00 -2.00 0.00 0.00 41.25 37.06 3kit s ASN 29 CO 0.53 0.13 1.61 1.55 -2.94 0.00 0.00 177.10 177.98 3kit h PRO 30 N 5.93 -0.20 -1.25 3.55 0.13 -2.00 -2.93 132.00 135.22 3kit h PRO 30 Ca -0.45 0.01 0.42 0.00 -0.87 0.00 0.00 66.00 65.12 3kit h PRO 30 Cb 1.19 0.05 -0.11 0.00 0.13 0.00 0.00 31.00 32.25 3kit h PRO 30 CO 0.70 -0.13 0.82 1.63 -0.23 0.00 0.00 178.00 180.79 3kit n LYS 31 N -5.41 -0.03 -0.08 0.86 5.02 -1.26 0.14 118.16 117.40 3kit n LYS 31 Ca 0.02 1.07 0.08 0.00 -2.02 0.00 0.00 58.31 57.45 3kit n LYS 31 Cb 0.33 -2.14 0.31 0.00 -0.02 0.00 0.00 35.03 33.51 3kit n LYS 31 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3kit n HIS 32 N -4.35 0.20 -2.24 2.13 8.25 -1.10 -3.71 115.22 114.41 3kit n HIS 32 Ca 0.35 -0.10 -0.43 0.00 -0.26 0.00 0.00 57.72 57.28 3kit n HIS 32 Cb 1.40 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.49 3kit n HIS 32 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3kit s LYS 33 N -1.80 3.55 0.50 -0.41 2.20 0.37 -4.79 119.74 119.37 3kit s LYS 33 Ca 0.25 1.16 0.06 0.00 -0.36 0.00 0.00 55.97 57.08 3kit s LYS 33 Cb 0.13 -4.06 0.01 0.00 -1.51 0.00 0.00 37.83 32.40 3kit s LYS 33 CO 0.20 -1.59 0.34 -0.65 -0.36 0.00 0.00 175.35 173.29 3kit s GLN 34 N 5.05 2.29 -0.30 4.03 -0.21 -0.96 -3.64 119.66 125.92 3kit s GLN 34 Ca 0.67 -1.94 -0.06 0.00 0.02 0.00 0.00 55.36 54.05 3kit s GLN 34 Cb -0.17 -2.09 0.19 0.00 1.00 0.00 0.00 33.01 31.93 3kit s GLN 34 CO 0.32 -0.46 0.88 0.50 -2.12 0.00 0.00 175.29 174.41 3kit s ARG 35 N -4.18 0.30 0.02 2.91 3.52 0.94 -3.01 118.95 119.45 3kit s ARG 35 Ca 0.36 0.34 -0.30 0.00 -0.13 0.00 0.00 55.73 55.99 3kit s ARG 35 Cb -0.01 0.16 -0.08 0.00 -1.56 0.00 0.00 34.95 33.46 3kit s ARG 35 CO 0.21 -0.51 1.85 -1.14 -0.81 0.00 0.00 175.30 174.90 3kit s GLN 36 N 2.91 4.16 0.00 5.12 0.74 -0.20 -3.50 119.66 128.89 3kit s GLN 36 Ca 0.18 2.47 0.00 0.00 0.05 0.00 0.00 55.36 58.06 3kit s GLN 36 Cb -0.06 -4.05 0.00 0.00 1.10 0.00 0.00 33.01 30.00 3kit s GLN 36 CO -0.22 -0.91 0.00 0.41 -0.55 0.00 0.00 175.29 174.02