#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ct4 s ASP 7 N 0.00 3.88 -0.20 4.52 2.15 -1.26 -5.01 116.67 120.74 1ct4 s ASP 7 Ca 0.00 -0.42 0.15 0.00 0.43 0.00 0.00 52.55 52.72 1ct4 s ASP 7 Cb 0.00 -1.61 0.72 0.00 -0.30 0.00 0.00 42.92 41.74 1ct4 s ASP 7 CO 0.00 0.09 1.64 0.00 -0.17 0.00 0.00 175.17 176.73 1ct4 h SER 9 N 3.39 0.13 -0.03 0.00 0.87 -1.98 -2.18 113.55 113.75 1ct4 h SER 9 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1ct4 h SER 9 Cb 1.76 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.68 1ct4 h SER 9 CO 0.38 0.25 0.00 1.21 -0.53 0.00 0.00 176.83 178.14 1ct4 n GLU 10 N -4.34 1.10 -3.95 2.24 2.13 -1.26 -4.84 120.64 111.71 1ct4 n GLU 10 Ca -0.01 -0.12 -0.23 0.00 0.66 0.00 0.00 57.16 57.46 1ct4 n GLU 10 Cb 0.22 -1.16 -0.05 0.00 0.27 0.00 0.00 31.44 30.71 1ct4 n GLU 10 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1ct4 s TYR 11 N -1.72 2.72 0.72 4.31 1.51 -0.82 -4.66 117.35 119.42 1ct4 s TYR 11 Ca 0.02 -0.42 -0.09 0.00 -1.01 0.00 0.00 57.07 55.57 1ct4 s TYR 11 Cb 0.01 -1.82 0.05 0.00 -0.11 0.00 0.00 41.96 40.10 1ct4 s TYR 11 CO 0.01 0.20 1.05 -1.25 -1.11 0.00 0.00 175.55 174.46 1ct4 s PRO 12 N -3.93 2.30 -0.01 -1.71 0.04 -1.26 -5.06 135.00 125.36 1ct4 s PRO 12 Ca 0.41 -0.04 0.07 0.00 0.04 0.00 0.00 61.00 61.48 1ct4 s PRO 12 Cb -0.02 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 1ct4 s PRO 12 CO 0.24 -1.24 -0.23 0.15 0.04 0.00 0.00 177.00 175.96 1ct4 s LYS 13 N -5.32 1.83 0.51 4.56 1.02 -1.26 -5.04 119.74 116.05 1ct4 s LYS 13 Ca 0.60 -0.84 0.34 0.00 0.02 0.00 0.00 55.97 56.08 1ct4 s LYS 13 Cb -0.11 -1.79 1.54 0.00 -0.52 0.00 0.00 37.83 36.95 1ct4 s LYS 13 CO 0.47 0.49 2.01 -1.00 -0.92 0.00 0.00 175.35 176.39 1ct4 h PRO 14 N 5.50 0.00 -3.14 -1.68 0.13 -2.02 -3.45 132.00 127.34 1ct4 h PRO 14 Ca -0.41 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.65 1ct4 h PRO 14 Cb 1.13 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.11 1ct4 h PRO 14 CO 0.47 0.00 -0.10 0.00 -0.23 0.00 0.00 178.00 178.14 1ct4 s ALA 15 N -3.71 -0.97 0.04 -0.56 0.00 -1.26 -5.17 121.76 110.13 1ct4 s ALA 15 Ca 0.00 0.20 0.04 0.00 0.00 0.00 0.00 51.96 52.20 1ct4 s ALA 15 Cb 0.10 0.44 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 1ct4 s ALA 15 CO 0.46 -0.51 -0.12 0.00 0.00 0.00 0.00 175.76 175.60 1ct4 s THR 17 N -0.90 3.25 -0.48 0.00 -4.23 -1.26 -4.98 115.64 107.04 1ct4 s THR 17 Ca -0.01 0.41 0.04 0.00 -1.18 0.00 0.00 61.69 60.95 1ct4 s THR 17 Cb -0.08 -3.03 0.42 0.00 1.34 0.00 0.00 72.50 71.14 1ct4 s THR 17 CO 0.01 -0.53 1.26 1.33 -0.54 0.00 0.00 174.62 176.14 1ct4 n VAL 18 N -3.49 2.57 -2.55 2.29 0.24 -1.26 -4.93 118.33 111.21 1ct4 n VAL 18 Ca 0.08 -4.73 -0.28 0.00 -2.04 0.00 0.00 64.34 57.36 1ct4 n VAL 18 Cb 0.55 -1.25 -0.00 0.00 -1.47 0.00 0.00 33.84 31.66 1ct4 n VAL 18 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1ct4 s GLU 19 N -3.62 3.58 -0.34 7.34 1.03 -1.26 -5.06 118.70 120.37 1ct4 s GLU 19 Ca 0.49 0.32 -0.09 0.00 0.03 0.00 0.00 54.97 55.73 1ct4 s GLU 19 Cb 0.41 -2.33 0.02 0.00 -0.80 0.00 0.00 34.13 31.43 1ct4 s GLU 19 CO -0.19 -0.24 0.14 -0.47 -1.33 0.00 0.00 175.26 173.17 1ct4 s TYR 20 N -2.76 3.22 -0.45 4.83 5.04 -1.26 -4.53 117.35 121.44 1ct4 s TYR 20 Ca 0.49 -1.06 0.05 0.00 -2.44 0.00 0.00 57.07 54.11 1ct4 s TYR 20 Cb -0.10 -2.34 0.18 0.00 0.35 0.00 0.00 41.96 40.04 1ct4 s TYR 20 CO 0.45 -0.64 0.49 1.03 -1.34 0.00 0.00 175.55 175.54 1ct4 s ARG 21 N 1.50 0.94 0.59 4.97 0.52 0.45 -5.03 118.95 122.88 1ct4 s ARG 21 Ca 0.01 -1.59 -0.20 0.00 -0.52 0.00 0.00 55.73 53.44 1ct4 s ARG 21 Cb -0.19 -0.83 -0.03 0.00 0.52 0.00 0.00 34.95 34.42 1ct4 s ARG 21 CO 0.05 -1.35 1.32 -1.25 0.02 0.00 0.00 175.30 174.09 1ct4 s PRO 22 N 0.51 2.92 0.05 3.54 0.04 -1.19 -3.91 135.00 136.96 1ct4 s PRO 22 Ca 0.30 2.12 0.04 0.00 0.04 0.00 0.00 61.00 63.51 1ct4 s PRO 22 Cb 0.00 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 1ct4 s PRO 22 CO -0.12 -1.33 -0.12 -0.51 0.04 0.00 0.00 177.00 174.95 1ct4 s LEU 23 N -3.88 2.22 -0.28 -3.56 1.43 -0.22 -0.97 118.68 113.43 1ct4 s LEU 23 Ca 0.76 -0.52 -0.08 0.00 -1.03 0.00 0.00 54.13 53.27 1ct4 s LEU 23 Cb -0.38 -0.46 -0.01 0.00 0.03 0.00 0.00 46.19 45.37 1ct4 s LEU 23 CO 0.43 -0.06 0.09 0.00 0.23 0.00 0.00 176.35 177.05 1ct4 s GLY 25 N 1.57 1.62 0.00 0.00 0.00 -0.76 -0.19 107.32 109.56 1ct4 s GLY 25 Ca 0.05 -0.67 0.12 0.00 0.00 0.00 0.00 44.72 44.22 1ct4 s GLY 25 CO 0.04 -0.35 1.33 -1.14 0.00 0.00 0.00 173.10 172.98 1ct4 n SER 26 N -2.70 0.00 -1.05 1.64 3.41 0.41 -1.14 113.62 114.19 1ct4 n SER 26 Ca 0.05 0.32 0.09 0.00 -0.26 0.00 0.00 58.87 59.07 1ct4 n SER 26 Cb 0.58 -0.40 0.25 0.00 -0.26 0.00 0.00 64.21 64.38 1ct4 n SER 26 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ct4 n ASP 27 N -1.40 3.03 -0.80 4.04 5.68 -1.26 -4.91 116.55 120.93 1ct4 n ASP 27 Ca 0.04 -2.03 -0.10 0.00 -0.50 0.00 0.00 54.79 52.19 1ct4 n ASP 27 Cb 0.12 -0.38 -0.04 0.00 -1.14 0.00 0.00 41.12 39.67 1ct4 n ASP 27 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1ct4 n ASN 28 N 1.09 -4.85 -4.75 -1.12 5.03 -0.30 -4.99 115.26 105.38 1ct4 n ASN 28 Ca 0.19 0.26 -0.35 0.00 0.87 0.00 0.00 54.58 55.54 1ct4 n ASN 28 Cb 0.49 -3.27 -0.08 0.00 -1.02 0.00 0.00 39.78 35.89 1ct4 n ASN 28 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1ct4 s LYS 29 N -2.71 3.80 -0.19 3.52 2.20 -1.25 -4.89 119.74 120.21 1ct4 s LYS 29 Ca 0.00 -0.24 -0.29 0.00 -0.36 0.00 0.00 55.97 55.08 1ct4 s LYS 29 Cb 0.00 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 1ct4 s LYS 29 CO 0.00 0.47 1.02 0.99 -0.36 0.00 0.00 175.35 177.47 1ct4 s THR 30 N -0.17 4.72 -0.16 3.43 2.01 -1.26 -1.82 115.64 122.39 1ct4 s THR 30 Ca 0.09 2.01 -0.13 0.00 0.31 0.00 0.00 61.69 63.97 1ct4 s THR 30 Cb -0.12 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.04 1ct4 s THR 30 CO 0.01 -0.12 0.28 -0.31 -0.69 0.00 0.00 174.62 173.79 1ct4 s TYR 31 N 2.80 3.47 0.48 4.92 1.51 0.96 -4.94 117.35 126.54 1ct4 s TYR 31 Ca 0.45 0.59 0.18 0.00 -1.01 0.00 0.00 57.07 57.27 1ct4 s TYR 31 Cb -0.16 -2.32 1.18 0.00 -0.11 0.00 0.00 41.96 40.56 1ct4 s TYR 31 CO 0.10 0.27 2.01 0.78 -1.11 0.00 0.00 175.55 177.60 1ct4 h GLY 32 N 6.57 0.30 -1.86 0.71 0.00 -1.88 -0.56 103.07 106.35 1ct4 h GLY 32 Ca -0.42 -0.09 0.11 0.00 0.00 0.00 0.00 47.33 46.93 1ct4 h GLY 32 CO 0.75 0.05 0.39 0.54 0.00 0.00 0.00 176.54 178.27 1ct4 s ASN 33 N -6.37 -0.13 0.29 0.19 2.20 -1.25 -0.41 114.94 109.46 1ct4 s ASN 33 Ca -0.06 -0.66 -0.02 0.00 -0.94 0.00 0.00 52.86 51.18 1ct4 s ASN 33 Cb 0.19 0.63 0.42 0.00 -2.00 0.00 0.00 41.25 40.49 1ct4 s ASN 33 CO 0.73 -1.20 1.94 0.11 -2.94 0.00 0.00 177.10 175.75 1ct4 h LYS 34 N 2.00 1.07 -0.45 3.55 1.57 -1.89 -1.41 116.57 121.01 1ct4 h LYS 34 Ca -0.25 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.40 1ct4 h LYS 34 Cb 1.24 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 1ct4 h LYS 34 CO 0.30 0.74 0.11 0.00 -0.57 0.00 0.00 179.45 180.03 1ct4 h ASN 36 N 0.59 0.66 -0.01 0.00 2.35 -1.85 -1.88 115.58 115.44 1ct4 h ASN 36 Ca 0.14 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1ct4 h ASN 36 Cb 0.31 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 1ct4 h ASN 36 CO 0.00 0.65 0.01 0.15 -1.65 0.00 0.00 177.43 176.59 1ct4 h PHE 37 N 0.64 0.01 -0.39 1.19 3.57 -1.03 -2.32 116.94 118.61 1ct4 h PHE 37 Ca 0.16 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 1ct4 h PHE 37 Cb 0.19 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 1ct4 h PHE 37 CO 0.00 0.08 0.06 0.00 -2.23 0.00 0.00 178.31 176.22 1ct4 h ASN 39 N 0.57 0.70 -0.56 0.00 2.35 -1.22 -2.11 115.58 115.32 1ct4 h ASN 39 Ca 0.13 -0.23 -0.11 0.00 -0.55 0.00 0.00 56.30 55.54 1ct4 h ASN 39 Cb 0.27 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1ct4 h ASN 39 CO 0.00 0.89 -0.07 0.00 -1.65 0.00 0.00 177.43 176.61 1ct4 h ALA 40 N 1.17 0.77 -0.64 -0.83 0.00 -0.82 -0.60 119.26 118.30 1ct4 h ALA 40 Ca 0.09 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1ct4 h ALA 40 Cb 0.67 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1ct4 h ALA 40 CO 0.05 0.66 0.39 0.28 0.00 0.00 0.00 179.25 180.63 1ct4 h VAL 41 N 0.93 1.06 -0.50 0.00 2.07 -0.77 -0.53 116.25 118.51 1ct4 h VAL 41 Ca 0.15 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 1ct4 h VAL 41 Cb 0.63 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1ct4 h VAL 41 CO 0.04 0.14 0.03 0.58 0.02 0.00 0.00 177.57 178.38 1ct4 h VAL 42 N 0.76 1.26 0.00 2.57 2.07 -1.14 -1.36 116.25 120.41 1ct4 h VAL 42 Ca 0.26 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1ct4 h VAL 42 Cb 0.05 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1ct4 h VAL 42 CO -0.12 0.36 -0.11 -0.08 0.02 0.00 0.00 177.57 177.64 1ct4 h GLU 43 N 0.72 0.00 -0.21 1.57 4.81 -0.53 0.18 114.58 121.12 1ct4 h GLU 43 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1ct4 h GLU 43 Cb 0.47 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1ct4 h GLU 43 CO 0.02 0.11 0.00 -1.13 -0.73 0.00 0.00 179.01 177.28 1ct4 n SER 44 N -3.92 1.74 -3.51 1.04 3.41 -0.26 -4.91 113.62 107.21 1ct4 n SER 44 Ca -0.02 -1.78 -0.24 0.00 -0.26 0.00 0.00 58.87 56.57 1ct4 n SER 44 Cb 0.21 -0.14 0.07 0.00 -0.26 0.00 0.00 64.21 64.08 1ct4 n SER 44 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ct4 n ASN 45 N 0.39 -6.20 0.00 4.04 5.15 0.05 -2.63 115.26 116.05 1ct4 n ASN 45 Ca 0.15 -0.51 0.00 0.00 -0.60 0.00 0.00 54.58 53.63 1ct4 n ASN 45 Cb 0.33 -4.91 0.00 0.00 -0.53 0.00 0.00 39.78 34.67 1ct4 n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ct4 n GLY 46 N -1.88 0.49 0.09 8.20 0.00 -0.55 -4.94 105.19 106.59 1ct4 n GLY 46 Ca -0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 46.02 45.72 1ct4 n GLY 46 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ct4 h THR 47 N 0.00 0.80 -3.57 2.61 1.35 -1.70 -3.46 112.91 108.94 1ct4 h THR 47 Ca 0.00 -2.41 -0.52 0.00 -0.55 0.00 0.00 66.41 62.93 1ct4 h THR 47 Cb 0.00 2.30 -0.02 0.00 -1.73 0.00 0.00 68.15 68.69 1ct4 h THR 47 CO 0.00 0.45 0.30 -0.22 -0.25 0.00 0.00 175.52 175.80 1ct4 s LEU 48 N -6.07 4.53 0.30 3.87 2.96 -1.26 -5.04 118.68 117.96 1ct4 s LEU 48 Ca -0.02 1.74 0.03 0.00 -0.22 0.00 0.00 54.13 55.66 1ct4 s LEU 48 Cb 0.08 -3.49 -0.06 0.00 0.50 0.00 0.00 46.19 43.23 1ct4 s LEU 48 CO 0.81 0.03 0.06 0.42 -1.32 0.00 0.00 176.35 176.35 1ct4 s THR 49 N -0.41 1.00 -0.14 3.68 -4.23 -1.26 -4.83 115.64 109.46 1ct4 s THR 49 Ca 0.43 -2.01 -0.25 0.00 -1.18 0.00 0.00 61.69 58.69 1ct4 s THR 49 Cb -0.23 -2.71 -0.02 0.00 1.34 0.00 0.00 72.50 70.88 1ct4 s THR 49 CO 0.29 -0.03 0.79 -0.22 -0.54 0.00 0.00 174.62 174.90 1ct4 s LEU 50 N -3.42 4.22 -0.17 4.79 2.96 -1.26 -0.44 118.68 125.34 1ct4 s LEU 50 Ca 0.36 1.17 -0.20 0.00 -0.22 0.00 0.00 54.13 55.23 1ct4 s LEU 50 Cb 0.08 -3.18 -0.18 0.00 0.50 0.00 0.00 46.19 43.42 1ct4 s LEU 50 CO 0.14 -0.31 0.30 -1.28 -1.32 0.00 0.00 176.35 173.88 1ct4 h SER 51 N 7.19 0.00 -5.00 3.68 0.87 -0.81 -3.45 113.55 116.02 1ct4 h SER 51 Ca -0.33 -0.54 0.18 0.00 -1.23 0.00 0.00 61.79 59.87 1ct4 h SER 51 Cb 1.15 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.99 1ct4 h SER 51 CO 0.81 1.19 0.57 -1.38 -0.53 0.00 0.00 176.83 177.48 1ct4 s HIS 52 N -2.25 -0.20 0.41 2.24 -3.43 -1.06 -5.03 115.29 105.96 1ct4 s HIS 52 Ca -0.22 0.02 -0.18 0.00 -0.80 0.00 0.00 55.06 53.87 1ct4 s HIS 52 Cb 0.03 0.58 -0.10 0.00 -1.43 0.00 0.00 32.58 31.65 1ct4 s HIS 52 CO 0.53 -0.58 0.88 -0.06 -2.00 0.00 0.00 174.74 173.51 1ct4 s PHE 53 N -3.02 3.36 0.00 0.38 0.08 -1.26 -0.64 117.98 116.87 1ct4 s PHE 53 Ca 0.09 1.44 0.00 0.00 0.12 0.00 0.00 56.93 58.58 1ct4 s PHE 53 Cb -0.00 -2.72 0.00 0.00 -0.57 0.00 0.00 43.02 39.72 1ct4 s PHE 53 CO -0.04 -0.09 0.00 0.41 -0.10 0.00 0.00 175.22 175.41 1ct4 n GLY 54 N -0.73 -2.91 3.75 4.36 0.00 -0.14 -4.75 105.19 104.78 1ct4 n GLY 54 Ca 0.06 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.90 1ct4 n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ct4 s LYS 55 N -0.64 2.64 0.00 1.61 1.02 -1.26 -2.05 119.74 121.05 1ct4 s LYS 55 Ca 0.00 1.56 0.26 0.00 0.02 0.00 0.00 55.97 57.81 1ct4 s LYS 55 Cb 0.00 -1.92 1.54 0.00 -0.52 0.00 0.00 37.83 36.94 1ct4 s LYS 55 CO 0.00 -1.41 1.90 0.00 -0.92 0.00 0.00 175.35 174.92