#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kit n LYS 2 N 0.00 0.00 0.00 0.03 4.76 -1.26 -4.98 118.16 116.71 3kit n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3kit n LYS 2 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3kit n LYS 2 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3kit n GLU 3 N 0.00 0.00 0.00 1.97 -0.58 -1.26 -4.39 120.64 116.38 3kit n GLU 3 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3kit n GLU 3 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3kit n GLU 3 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kit n GLY 4 N 0.00 0.00 2.48 0.62 0.00 -1.26 -5.06 105.19 101.96 3kit n GLY 4 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 3kit n GLY 4 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kit n ILE 5 N 0.00 0.49 -3.27 -0.61 -0.00 -1.26 -5.14 119.36 109.56 3kit n ILE 5 Ca 0.00 -1.64 -0.13 0.00 -0.00 0.00 0.00 62.75 60.98 3kit n ILE 5 Cb 0.00 1.07 0.03 0.00 -0.00 0.00 0.00 39.64 40.74 3kit n ILE 5 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 3kit n HIS 6 N -0.87 -2.00 -0.05 4.28 8.25 -1.26 -5.04 115.22 118.52 3kit n HIS 6 Ca -0.07 -1.33 -0.13 0.00 -0.26 0.00 0.00 57.72 55.92 3kit n HIS 6 Cb 0.85 -0.31 -0.01 0.00 1.12 0.00 0.00 29.99 31.64 3kit n HIS 6 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3kit h PRO 7 N 0.00 0.79 0.00 -0.41 0.11 -2.00 -3.48 132.00 127.01 3kit h PRO 7 Ca -0.18 -0.50 0.00 0.00 0.11 0.00 0.00 66.00 65.43 3kit h PRO 7 Cb 0.76 0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3kit h PRO 7 CO 0.27 1.13 0.00 1.17 -0.21 0.00 0.00 178.00 180.36 3kit n LYS 8 N -3.99 0.00 -1.70 1.05 4.81 -1.26 -4.98 118.16 112.08 3kit n LYS 8 Ca -0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.39 3kit n LYS 8 Cb 0.63 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.67 3kit n LYS 8 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3kit n LEU 9 N 0.00 -2.90 -4.40 3.14 -0.00 -1.25 -5.10 117.00 106.50 3kit n LEU 9 Ca 0.00 0.33 -0.28 0.00 -0.00 0.00 0.00 56.01 56.07 3kit n LEU 9 Cb 0.00 -1.41 -0.12 0.00 -0.00 0.00 0.00 43.42 41.89 3kit n LEU 9 CO 0.00 -0.64 -0.55 -0.69 -0.00 0.00 0.00 177.39 175.51 3kit s VAL 10 N -0.20 2.26 0.33 1.96 1.01 -1.16 -4.87 120.40 119.73 3kit s VAL 10 Ca -0.03 -1.88 -0.29 0.00 0.00 0.00 0.00 61.98 59.79 3kit s VAL 10 Cb 0.00 -2.03 -0.11 0.00 0.00 0.00 0.00 36.38 34.24 3kit s VAL 10 CO 0.14 -0.02 1.47 -2.16 0.00 0.00 0.00 175.10 174.53 3kit s PRO 11 N -2.36 4.18 0.26 2.72 0.04 -1.26 -1.46 135.00 137.12 3kit s PRO 11 Ca 0.17 2.47 0.02 0.00 0.04 0.00 0.00 61.00 63.70 3kit s PRO 11 Cb -0.09 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.40 3kit s PRO 11 CO 0.08 -0.48 0.20 0.00 0.04 0.00 0.00 177.00 176.84 3kit s ALA 12 N -0.72 1.43 -0.01 8.56 0.00 0.72 -4.41 121.76 127.33 3kit s ALA 12 Ca 0.55 -1.84 0.06 0.00 0.00 0.00 0.00 51.96 50.73 3kit s ALA 12 Cb -0.45 1.42 -0.01 0.00 0.00 0.00 0.00 23.12 24.08 3kit s ALA 12 CO 0.55 -0.63 -0.19 -0.98 0.00 0.00 0.00 175.76 174.52 3kit s ARG 13 N -3.84 1.50 -0.12 0.00 3.03 -0.98 -2.25 118.95 116.28 3kit s ARG 13 Ca 0.39 -0.68 -0.08 0.00 2.03 0.00 0.00 55.73 57.40 3kit s ARG 13 Cb 0.05 -1.46 -0.04 0.00 -1.03 0.00 0.00 34.95 32.47 3kit s ARG 13 CO 0.19 0.40 0.15 0.42 -1.13 0.00 0.00 175.30 175.33 3kit s ILE 14 N -0.46 5.48 -0.79 4.99 1.09 0.12 -3.03 121.20 128.60 3kit s ILE 14 Ca 0.07 0.24 0.00 0.00 -1.10 0.00 0.00 60.65 59.86 3kit s ILE 14 Cb -0.07 -3.42 0.19 0.00 -1.06 0.00 0.00 42.46 38.10 3kit s ILE 14 CO -0.01 0.60 0.63 -0.63 -0.10 0.00 0.00 174.94 175.44 3kit s ILE 15 N -0.93 3.77 0.14 2.92 -1.09 0.75 -3.00 121.20 123.76 3kit s ILE 15 Ca 0.15 -3.86 -0.02 0.00 -2.23 0.00 0.00 60.65 54.69 3kit s ILE 15 Cb -0.12 -3.40 0.04 0.00 -1.58 0.00 0.00 42.46 37.40 3kit s ILE 15 CO 0.04 -1.03 0.09 0.00 -1.23 0.00 0.00 174.94 172.81 3kit n GLY 17 N -0.33 -1.11 2.26 0.00 0.00 -1.04 -4.17 105.19 100.80 3kit n GLY 17 Ca 0.01 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 3kit n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kit n GLY 19 N -0.74 0.62 1.80 0.00 0.00 -1.26 -4.88 105.19 100.73 3kit n GLY 19 Ca 0.51 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.21 3kit n GLY 19 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kit n ASN 20 N 1.30 0.51 -4.12 1.61 4.05 -1.26 -4.46 115.26 112.89 3kit n ASN 20 Ca 0.00 0.57 -0.34 0.00 0.45 0.00 0.00 54.58 55.27 3kit n ASN 20 Cb 0.00 -0.43 -0.14 0.00 1.23 0.00 0.00 39.78 40.44 3kit n ASN 20 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 3kit s VAL 21 N 1.27 2.62 0.17 3.44 1.01 -1.26 -2.40 120.40 125.25 3kit s VAL 21 Ca 0.50 -1.58 -0.17 0.00 0.00 0.00 0.00 61.98 60.73 3kit s VAL 21 Cb -0.71 -2.56 -0.07 0.00 0.00 0.00 0.00 36.38 33.04 3kit s VAL 21 CO 0.38 -0.13 0.63 -0.63 0.00 0.00 0.00 175.10 175.35 3kit s ILE 22 N 1.16 4.72 -0.15 2.22 1.09 -1.16 -4.84 121.20 124.24 3kit s ILE 22 Ca -0.05 1.07 0.02 0.00 -1.10 0.00 0.00 60.65 60.58 3kit s ILE 22 Cb -0.20 -3.81 0.01 0.00 -1.06 0.00 0.00 42.46 37.40 3kit s ILE 22 CO -0.03 0.26 -0.21 -0.70 -0.10 0.00 0.00 174.94 174.16 3kit s GLU 23 N -1.87 3.04 0.00 2.79 2.12 -1.26 0.12 118.70 123.63 3kit s GLU 23 Ca 0.39 -0.83 0.00 0.00 0.36 0.00 0.00 54.97 54.89 3kit s GLU 23 Cb -0.16 -2.50 0.00 0.00 0.26 0.00 0.00 34.13 31.73 3kit s GLU 23 CO 0.20 -0.07 0.00 0.25 -0.54 0.00 0.00 175.26 175.10 3kit n THR 24 N 4.24 0.00 -4.24 -1.70 -2.24 -0.95 -5.05 114.28 104.34 3kit n THR 24 Ca -0.20 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.44 3kit n THR 24 Cb 0.51 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.64 3kit n THR 24 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3kit s TYR 25 N -0.08 1.28 0.00 4.78 1.51 -1.26 -0.20 117.35 123.38 3kit s TYR 25 Ca 0.00 -1.29 0.00 0.00 -1.01 0.00 0.00 57.07 54.77 3kit s TYR 25 Cb 0.00 -0.68 0.00 0.00 -0.11 0.00 0.00 41.96 41.17 3kit s TYR 25 CO 0.00 -0.51 0.00 -1.13 -1.11 0.00 0.00 175.55 172.80 3kit n SER 26 N -0.33 0.00 -3.15 2.29 3.41 -0.53 -4.76 113.62 110.54 3kit n SER 26 Ca 0.01 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.67 3kit n SER 26 Cb 0.66 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.60 3kit n SER 26 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3kit s THR 27 N 0.00 -0.24 0.00 6.66 -1.32 -1.26 -3.00 115.64 116.48 3kit s THR 27 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 3kit s THR 27 Cb 0.00 -0.82 0.00 0.00 -1.51 0.00 0.00 72.50 70.17 3kit s THR 27 CO 0.00 0.00 0.00 1.17 -2.21 0.00 0.00 174.62 173.58 3kit n LYS 28 N 5.39 0.00 0.00 7.08 3.00 -1.26 -4.89 118.16 127.48 3kit n LYS 28 Ca -0.04 0.21 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 3kit n LYS 28 Cb 0.55 -0.43 0.00 0.00 0.00 0.00 0.00 35.03 35.15 3kit n LYS 28 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 3kit n PRO 29 N 0.41 0.00 -3.18 1.64 -0.02 -1.26 -4.19 135.00 128.39 3kit n PRO 29 Ca 0.00 0.31 -0.46 0.00 -2.02 0.00 0.00 63.50 61.33 3kit n PRO 29 Cb 0.00 -1.68 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 3kit n PRO 29 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3kit s GLU 30 N -2.61 3.31 -0.15 -0.52 2.56 -1.26 -2.33 118.70 117.70 3kit s GLU 30 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 54.97 53.14 3kit s GLU 30 Cb 0.00 -4.43 0.02 0.00 2.00 0.00 0.00 34.13 31.72 3kit s GLU 30 CO 0.00 -1.47 -0.13 0.42 -0.56 0.00 0.00 175.26 173.53 3kit s ILE 31 N 1.69 1.47 -0.56 -3.70 1.09 -1.17 -5.05 121.20 114.97 3kit s ILE 31 Ca 0.16 -0.60 0.04 0.00 -1.10 0.00 0.00 60.65 59.14 3kit s ILE 31 Cb -0.17 -1.41 0.14 0.00 -1.06 0.00 0.00 42.46 39.95 3kit s ILE 31 CO -0.02 0.42 0.31 -0.72 -0.10 0.00 0.00 174.94 174.83 3kit s TYR 32 N 1.52 3.26 0.00 3.97 -0.85 -1.26 0.27 117.35 124.26 3kit s TYR 32 Ca 0.04 -3.18 0.00 0.00 -0.52 0.00 0.00 57.07 53.42 3kit s TYR 32 Cb -0.13 -2.83 0.00 0.00 0.38 0.00 0.00 41.96 39.38 3kit s TYR 32 CO -0.10 -0.72 0.00 0.28 -1.52 0.00 0.00 175.55 173.49 3kit n VAL 33 N 2.94 0.00 0.00 -3.49 0.31 0.24 -4.94 118.33 113.39 3kit n VAL 33 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 3kit n VAL 33 Cb 0.33 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 3kit n VAL 33 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kit n GLU 34 N -0.15 0.00 -3.62 5.55 4.71 -1.26 -4.27 120.64 121.60 3kit n GLU 34 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 3kit n GLU 34 Cb 0.00 -0.66 -0.05 0.00 -1.01 0.00 0.00 31.44 29.73 3kit n GLU 34 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3kit s VAL 35 N -1.74 -0.72 0.00 2.62 1.01 -1.26 -2.50 120.40 117.81 3kit s VAL 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3kit s VAL 35 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 3kit s VAL 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.10 3kit s SER 37 N 0.57 5.83 0.00 0.00 0.01 -1.26 -4.14 113.70 114.71 3kit s SER 37 Ca 0.00 1.80 0.00 0.00 1.31 0.00 0.00 55.95 59.06 3kit s SER 37 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 3kit s SER 37 CO 0.00 -1.13 0.00 1.17 0.41 0.00 0.00 173.24 173.69 3kit n LYS 38 N -2.02 0.00 -3.27 12.44 3.00 -1.26 -5.06 118.16 122.00 3kit n LYS 38 Ca 0.09 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.15 3kit n LYS 38 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.48 3kit n LYS 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3kit n HIS 40 N 2.06 0.00 -1.57 0.00 8.25 -1.26 -4.93 115.22 117.77 3kit n HIS 40 Ca 0.25 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.41 3kit n HIS 40 Cb 0.51 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.80 3kit n HIS 40 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3kit s PRO 41 N 0.00 0.33 0.20 -0.41 0.02 -1.26 -5.21 135.00 128.66 3kit s PRO 41 Ca 0.00 -0.08 -0.13 0.00 0.02 0.00 0.00 61.00 60.81 3kit s PRO 41 Cb 0.00 -1.78 0.05 0.00 0.02 0.00 0.00 34.50 32.79 3kit s PRO 41 CO 0.00 -2.68 0.66 1.97 -0.33 0.00 0.00 177.00 176.63 3kit n PHE 42 N -4.03 -1.53 0.00 6.54 1.16 -1.26 -5.16 117.46 113.18 3kit n PHE 42 Ca 0.12 -1.11 0.00 0.00 -1.87 0.00 0.00 57.45 54.59 3kit n PHE 42 Cb 0.59 0.55 0.00 0.00 -1.61 0.00 0.00 39.48 39.01 3kit n PHE 42 CO 0.00 0.00 0.00 2.48 -1.87 0.00 0.00 176.76 177.37 3kit n TYR 43 N -0.46 0.00 0.00 2.97 4.11 -1.26 -4.96 117.16 117.56 3kit n TYR 43 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.86 3kit n TYR 43 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.76 3kit n TYR 43 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 3kit n THR 44 N 0.00 0.00 -3.31 -3.48 -2.24 -1.26 -5.07 114.28 98.92 3kit n THR 44 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3kit n THR 44 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3kit n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kit n GLY 45 N 0.00 5.94 3.06 3.38 0.00 -1.26 -5.18 105.19 111.13 3kit n GLY 45 Ca 0.00 -1.84 -0.12 0.00 0.00 0.00 0.00 46.02 44.06 3kit n GLY 45 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kit s GLN 46 N 0.07 0.22 0.00 1.61 2.00 -1.26 -5.16 119.66 117.14 3kit s GLN 46 Ca 0.00 0.47 0.00 0.00 -2.00 0.00 0.00 55.36 53.83 3kit s GLN 46 Cb 0.00 -0.06 0.00 0.00 0.80 0.00 0.00 33.01 33.75 3kit s GLN 46 CO 0.00 -0.13 0.00 1.04 -0.50 0.00 0.00 175.29 175.70 3kit n GLN 47 N 3.92 3.57 0.00 1.67 1.13 -1.26 -5.19 117.38 121.22 3kit n GLN 47 Ca -0.22 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.84 3kit n GLN 47 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.89 3kit n GLN 47 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 3kit n ARG 48 N 0.00 -1.08 0.00 -1.09 0.63 -1.26 -5.20 116.66 108.66 3kit n ARG 48 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3kit n ARG 48 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3kit n ARG 48 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3kit n PHE 49 N -1.29 0.00 0.00 -0.14 3.01 -1.26 -4.98 117.46 112.80 3kit n PHE 49 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3kit n PHE 49 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 3kit n PHE 49 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3kit n VAL 50 N 1.68 0.00 0.00 -4.37 0.31 -1.26 -4.77 118.33 109.93 3kit n VAL 50 Ca 0.00 0.97 0.00 0.00 -0.01 0.00 0.00 64.34 65.30 3kit n VAL 50 Cb 0.00 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.22 3kit n VAL 50 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3kit n ASP 51 N -0.71 0.00 -4.45 4.52 3.85 -1.26 -4.85 116.55 113.65 3kit n ASP 51 Ca 0.00 0.00 -0.44 0.00 -0.71 0.00 0.00 54.79 53.64 3kit n ASP 51 Cb 0.00 -0.21 0.00 0.00 -1.35 0.00 0.00 41.12 39.57 3kit n ASP 51 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3kit n THR 52 N -0.62 4.14 -3.72 2.12 -2.24 -1.26 -4.89 114.28 107.82 3kit n THR 52 Ca 0.00 -4.46 -0.06 0.00 -2.27 0.00 0.00 64.05 57.26 3kit n THR 52 Cb 0.00 -2.43 -0.02 0.00 -2.10 0.00 0.00 70.33 65.79 3kit n THR 52 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3kit s GLU 53 N 2.41 1.30 -0.05 -0.78 -6.30 -1.26 -5.09 118.70 108.93 3kit s GLU 53 Ca 0.46 -0.68 0.07 0.00 -2.50 0.00 0.00 54.97 52.33 3kit s GLU 53 Cb 0.01 0.47 0.11 0.00 0.00 0.00 0.00 34.13 34.72 3kit s GLU 53 CO 0.03 -0.59 1.00 0.41 0.02 0.00 0.00 175.26 176.12 3kit n GLY 54 N -0.43 2.12 2.62 -1.50 0.00 -1.26 -4.88 105.19 101.85 3kit n GLY 54 Ca -0.07 -0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 3kit n GLY 54 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kit n ARG 55 N -0.63 2.36 -0.65 1.61 -4.01 -1.26 -4.84 116.66 109.24 3kit n ARG 55 Ca 0.06 -4.32 0.05 0.00 -1.04 0.00 0.00 57.85 52.61 3kit n ARG 55 Cb 0.59 -2.03 0.30 0.00 -3.04 0.00 0.00 32.46 28.28 3kit n ARG 55 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 3kit n VAL 56 N 0.11 2.51 -1.28 8.89 0.31 -1.26 -5.29 118.33 122.32 3kit n VAL 56 Ca 0.29 -1.81 0.00 0.00 -0.01 0.00 0.00 64.34 62.81 3kit n VAL 56 Cb 0.48 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 3kit n VAL 56 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72