#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knm n ILE 7 N 0.00 1.48 -2.43 8.89 -5.35 -1.26 -4.85 119.36 115.84 3knm n ILE 7 Ca 0.00 -0.64 -0.42 0.00 -0.27 0.00 0.00 62.75 61.41 3knm n ILE 7 Cb 0.00 -1.21 -0.03 0.00 -1.74 0.00 0.00 39.64 36.66 3knm n ILE 7 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3knm s LYS 8 N -2.52 4.32 -0.11 6.28 1.02 -1.26 -2.83 119.74 124.65 3knm s LYS 8 Ca -0.28 1.69 -0.05 0.00 0.02 0.00 0.00 55.97 57.35 3knm s LYS 8 Cb 0.08 -3.60 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 3knm s LYS 8 CO 0.66 -0.51 0.09 -0.51 -0.92 0.00 0.00 175.35 174.16 3knm s LEU 9 N 2.47 4.08 -0.39 3.17 1.02 -0.44 -4.97 118.68 123.62 3knm s LEU 9 Ca 0.56 0.34 -0.23 0.00 0.02 0.00 0.00 54.13 54.83 3knm s LEU 9 Cb -0.25 -1.98 0.01 0.00 0.02 0.00 0.00 46.19 44.00 3knm s LEU 9 CO 0.21 0.39 0.76 -0.76 0.02 0.00 0.00 176.35 176.97 3knm s LEU 10 N -0.95 4.20 0.15 1.79 1.02 -1.26 -2.74 118.68 120.88 3knm s LEU 10 Ca 0.14 0.16 -0.08 0.00 0.02 0.00 0.00 54.13 54.37 3knm s LEU 10 Cb -0.12 -2.96 -0.01 0.00 0.02 0.00 0.00 46.19 43.12 3knm s LEU 10 CO 0.03 -0.77 0.25 -1.48 0.02 0.00 0.00 176.35 174.40 3knm s LEU 11 N 3.09 1.11 0.04 1.79 -0.00 -0.49 -4.99 118.68 119.23 3knm s LEU 11 Ca 0.30 -0.85 -0.05 0.00 -0.00 0.00 0.00 54.13 53.52 3knm s LEU 11 Cb -0.13 1.09 -0.01 0.00 -0.00 0.00 0.00 46.19 47.14 3knm s LEU 11 CO 0.18 -0.85 0.10 -1.83 -0.00 0.00 0.00 176.35 173.95 3knm s GLU 12 N -3.95 0.61 0.44 1.48 1.03 -1.22 0.31 118.70 117.40 3knm s GLU 12 Ca 0.15 -0.79 0.00 0.00 0.03 0.00 0.00 54.97 54.37 3knm s GLU 12 Cb 0.04 0.24 -0.01 0.00 -0.80 0.00 0.00 34.13 33.60 3knm s GLU 12 CO -0.02 -0.15 0.66 0.00 -1.33 0.00 0.00 175.26 174.42 3knm s THR 14 N -2.53 2.74 0.00 0.00 -1.32 -1.26 -1.56 115.64 111.71 3knm s THR 14 Ca 0.47 -1.91 0.00 0.00 -1.21 0.00 0.00 61.69 59.05 3knm s THR 14 Cb -0.10 -2.35 0.00 0.00 -1.51 0.00 0.00 72.50 68.54 3knm s THR 14 CO 0.38 -0.15 0.84 1.21 -2.21 0.00 0.00 174.62 174.69 3knm n GLU 15 N 0.06 0.55 -0.91 7.08 2.13 -1.20 -2.95 120.64 125.39 3knm n GLU 15 Ca -0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.71 3knm n GLU 15 Cb 0.56 -1.23 0.00 0.00 0.27 0.00 0.00 31.44 31.04 3knm n GLU 15 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3knm n LYS 17 N 0.62 0.00 -3.68 0.00 0.00 -1.26 -4.87 118.16 108.98 3knm n LYS 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3knm n LYS 17 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.11 3knm n LYS 17 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3knm n ARG 18 N -0.27 -0.23 0.00 1.64 1.85 -1.26 -5.12 116.66 113.28 3knm n ARG 18 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3knm n ARG 18 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3knm n ARG 18 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 3knm n ARG 19 N 0.00 0.00 -0.08 2.89 -4.01 -1.26 -4.13 116.66 110.07 3knm n ARG 19 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 3knm n ARG 19 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 3knm n ARG 19 CO 0.00 0.00 0.00 -1.71 -3.04 0.00 0.00 177.63 172.88 3knm n ASN 20 N 0.00 0.00 -3.61 2.89 4.05 -1.26 -3.27 115.26 114.07 3knm n ASN 20 Ca 0.00 0.00 -0.04 0.00 0.45 0.00 0.00 54.58 54.99 3knm n ASN 20 Cb 0.00 -0.54 -0.02 0.00 1.23 0.00 0.00 39.78 40.44 3knm n ASN 20 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 3knm s TYR 21 N -1.09 -0.10 0.00 1.20 4.12 -1.25 -4.36 117.35 115.87 3knm s TYR 21 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 57.07 57.16 3knm s TYR 21 Cb 0.00 0.51 0.00 0.00 -1.52 0.00 0.00 41.96 40.95 3knm s TYR 21 CO 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 175.55 175.41 3knm n ALA 22 N -0.05 0.00 0.00 3.71 0.00 -0.60 -4.90 120.51 118.66 3knm n ALA 22 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3knm n ALA 22 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 3knm n ALA 22 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3knm n THR 23 N 0.00 0.00 -3.71 0.00 -2.24 -1.26 -4.88 114.28 102.19 3knm n THR 23 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3knm n THR 23 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3knm n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3knm n GLU 24 N 0.00 2.23 -3.21 -0.78 -0.58 0.92 -4.92 120.64 114.30 3knm n GLU 24 Ca 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3knm n GLU 24 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 3knm n GLU 24 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 3knm s LYS 25 N -1.13 0.50 0.87 3.49 -2.85 -1.25 -1.39 119.74 117.97 3knm s LYS 25 Ca 0.00 0.78 -0.13 0.00 -1.00 0.00 0.00 55.97 55.62 3knm s LYS 25 Cb 0.00 0.20 0.12 0.00 -2.06 0.00 0.00 37.83 36.09 3knm s LYS 25 CO 0.00 -0.70 1.21 1.21 0.10 0.00 0.00 175.35 177.17 3knm s ASN 26 N 2.75 3.96 -0.23 0.03 3.84 -1.11 -4.86 114.94 119.32 3knm s ASN 26 Ca 0.17 0.66 0.13 0.00 0.21 0.00 0.00 52.86 54.03 3knm s ASN 26 Cb -0.14 -1.03 0.46 0.00 -0.55 0.00 0.00 41.25 39.98 3knm s ASN 26 CO -0.21 -2.24 1.18 0.29 -2.79 0.00 0.00 177.10 173.34 3knm n LYS 27 N -3.51 2.39 0.00 0.43 4.76 -1.26 -1.33 118.16 119.64 3knm n LYS 27 Ca 0.10 -3.61 0.00 0.00 -2.87 0.00 0.00 58.31 51.93 3knm n LYS 27 Cb 0.60 -1.76 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 3knm n LYS 27 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 3knm n ARG 28 N -0.68 0.00 0.05 1.97 0.63 -1.13 -0.88 116.66 116.62 3knm n ARG 28 Ca 0.27 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 57.18 3knm n ARG 28 Cb 0.88 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.78 3knm n ARG 28 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 3knm h ASN 29 N 0.00 -0.12 -2.70 6.15 -0.26 -1.95 -3.35 115.58 113.34 3knm h ASN 29 Ca 0.00 0.00 -0.40 0.00 -0.56 0.00 0.00 56.30 55.35 3knm h ASN 29 Cb 0.00 0.03 0.21 0.00 -1.06 0.00 0.00 38.32 37.50 3knm h ASN 29 CO 0.00 -0.02 -0.39 0.35 -1.06 0.00 0.00 177.43 176.31 3knm n THR 30 N -2.77 0.00 0.00 2.81 -2.24 -0.06 -4.26 114.28 107.76 3knm n THR 30 Ca -0.02 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3knm n THR 30 Cb 0.06 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 3knm n THR 30 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3knm n PRO 31 N -4.01 0.00 0.00 -0.78 -0.02 -1.26 -4.74 135.00 124.19 3knm n PRO 31 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3knm n PRO 31 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 3knm n PRO 31 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3knm n ASN 32 N 0.00 0.00 -2.71 2.55 5.15 -1.26 -4.59 115.26 114.40 3knm n ASN 32 Ca 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.97 3knm n ASN 32 Cb 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.24 3knm n ASN 32 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3knm n LYS 33 N 0.00 -1.75 0.00 1.20 4.76 -1.26 -4.55 118.16 116.57 3knm n LYS 33 Ca 0.00 1.45 0.00 0.00 -2.87 0.00 0.00 58.31 56.89 3knm n LYS 33 Cb 0.00 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 31.56 3knm n LYS 33 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3knm n LEU 34 N 2.25 0.00 0.00 -0.35 4.77 -1.26 -4.68 117.00 117.73 3knm n LEU 34 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3knm n LEU 34 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3knm n LEU 34 CO 0.06 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.33 3knm n GLU 35 N 0.00 0.00 -3.66 3.23 4.07 -1.26 -4.96 120.64 118.06 3knm n GLU 35 Ca 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.04 3knm n GLU 35 Cb 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.31 3knm n GLU 35 CO 0.00 0.00 0.00 -0.48 -0.06 0.00 0.00 177.13 176.59 3knm s LEU 36 N 0.00 -0.80 0.46 4.31 2.34 -1.26 -4.08 118.68 119.64 3knm s LEU 36 Ca 0.00 1.32 0.03 0.00 0.06 0.00 0.00 54.13 55.54 3knm s LEU 36 Cb 0.00 1.97 -0.01 0.00 -0.56 0.00 0.00 46.19 47.58 3knm s LEU 36 CO 0.00 -0.22 0.11 -0.13 -1.06 0.00 0.00 176.35 175.05 3knm s ARG 37 N 2.20 2.07 -0.21 1.48 1.81 -1.22 -5.05 118.95 120.03 3knm s ARG 37 Ca -0.07 -2.30 -0.04 0.00 -1.72 0.00 0.00 55.73 51.61 3knm s ARG 37 Cb -0.09 -0.79 -0.01 0.00 -0.45 0.00 0.00 34.95 33.61 3knm s ARG 37 CO -0.17 -0.52 -0.05 0.15 -0.68 0.00 0.00 175.30 174.03 3knm s LYS 38 N -3.71 3.37 -0.08 3.54 1.02 -1.25 -3.68 119.74 118.94 3knm s LYS 38 Ca 0.16 -0.63 -0.17 0.00 0.02 0.00 0.00 55.97 55.35 3knm s LYS 38 Cb 0.01 -2.98 0.04 0.00 -0.52 0.00 0.00 37.83 34.38 3knm s LYS 38 CO 0.11 -0.17 0.40 -0.47 -0.92 0.00 0.00 175.35 174.30 3knm s TYR 39 N 1.41 -0.36 0.67 3.18 5.04 -1.02 -5.01 117.35 121.25 3knm s TYR 39 Ca 0.05 0.74 -0.17 0.00 -2.44 0.00 0.00 57.07 55.25 3knm s TYR 39 Cb -0.14 0.16 0.00 0.00 0.35 0.00 0.00 41.96 42.33 3knm s TYR 39 CO -0.03 -0.34 1.24 0.00 -1.34 0.00 0.00 175.55 175.08 3knm n PRO 41 N -2.13 0.00 0.00 0.00 -0.04 -1.26 -4.84 135.00 126.73 3knm n PRO 41 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 3knm n PRO 41 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 3knm n PRO 41 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 3knm n TRP 42 N 0.00 0.00 -3.29 0.54 -0.00 -1.26 -4.99 117.44 108.44 3knm n TRP 42 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.50 57.17 3knm n TRP 42 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.26 3knm n TRP 42 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3knm n ARG 44 N 1.12 0.00 -3.73 0.00 5.12 -1.26 -4.93 116.66 112.98 3knm n ARG 44 Ca 0.28 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 56.06 3knm n ARG 44 Cb 0.38 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.59 3knm n ARG 44 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3knm s LYS 45 N 0.00 0.65 0.00 5.56 -0.14 -1.26 -4.65 119.74 119.90 3knm s LYS 45 Ca 0.00 0.07 0.00 0.00 -1.36 0.00 0.00 55.97 54.68 3knm s LYS 45 Cb 0.00 0.30 0.00 0.00 -1.68 0.00 0.00 37.83 36.45 3knm s LYS 45 CO 0.00 -0.16 0.00 0.72 -0.76 0.00 0.00 175.35 175.15 3knm n HIS 46 N 1.68 0.00 -3.09 3.18 8.25 -1.26 -4.87 115.22 119.10 3knm n HIS 46 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 3knm n HIS 46 Cb 0.56 -0.93 0.00 0.00 1.12 0.00 0.00 29.99 30.75 3knm n HIS 46 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3knm n THR 47 N 1.62 0.00 0.00 1.59 -2.24 -1.16 -4.91 114.28 109.18 3knm n THR 47 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3knm n THR 47 Cb 0.32 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 3knm n THR 47 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3knm n VAL 48 N -0.02 0.00 0.00 2.28 0.31 -1.26 -2.44 118.33 117.20 3knm n VAL 48 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 3knm n VAL 48 Cb 0.00 -0.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 3knm n VAL 48 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3knm n HIS 49 N 0.00 0.00 0.00 3.52 8.25 -1.21 -2.77 115.22 123.01 3knm n HIS 49 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3knm n HIS 49 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3knm n HIS 49 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3knm n ARG 50 N 0.82 0.16 0.04 -0.41 5.12 -1.15 -3.41 116.66 117.82 3knm n ARG 50 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3knm n ARG 50 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3knm n ARG 50 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 3knm n GLU 51 N 0.00 0.00 -1.78 5.56 2.13 -1.26 -4.13 120.64 121.16 3knm n GLU 51 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3knm n GLU 51 Cb 0.00 -0.40 0.00 0.00 0.27 0.00 0.00 31.44 31.31 3knm n GLU 51 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3knm n VAL 52 N -3.21 -3.95 0.00 6.31 0.31 -1.26 -3.37 118.33 113.17 3knm n VAL 52 Ca 0.00 1.70 0.00 0.00 -0.01 0.00 0.00 64.34 66.03 3knm n VAL 52 Cb 0.20 -2.25 0.00 0.00 -0.91 0.00 0.00 33.84 30.87 3knm n VAL 52 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68