#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr3 s SER 2 N 0.00 5.07 0.43 1.61 0.01 -1.26 -4.18 113.70 115.39 1wr3 s SER 2 Ca 0.00 -0.75 -0.22 0.00 1.31 0.00 0.00 55.95 56.29 1wr3 s SER 2 Cb 0.00 -1.86 -0.09 0.00 0.21 0.00 0.00 66.02 64.28 1wr3 s SER 2 CO 0.00 -0.19 1.02 -2.16 0.41 0.00 0.00 173.24 172.31 1wr3 s PRO 3 N 1.48 4.06 0.00 12.44 0.04 -1.26 -5.03 135.00 146.73 1wr3 s PRO 3 Ca 0.02 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1wr3 s PRO 3 Cb -0.17 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1wr3 s PRO 3 CO 0.02 -0.20 0.68 -2.30 0.04 0.00 0.00 177.00 175.24 1wr3 n PRO 4 N -0.50 0.00 -3.47 0.56 -0.02 -1.26 -4.92 135.00 125.39 1wr3 n PRO 4 Ca 0.07 0.41 0.01 0.00 -2.02 0.00 0.00 63.50 61.96 1wr3 n PRO 4 Cb 0.52 -1.28 -0.05 0.00 -0.02 0.00 0.00 33.50 32.67 1wr3 n PRO 4 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1wr3 s LEU 5 N -3.46 -0.55 0.80 2.45 2.96 -1.26 -4.98 118.68 114.64 1wr3 s LEU 5 Ca 0.00 0.79 -0.12 0.00 -0.22 0.00 0.00 54.13 54.57 1wr3 s LEU 5 Cb 0.00 1.67 0.08 0.00 0.50 0.00 0.00 46.19 48.43 1wr3 s LEU 5 CO 0.00 -0.11 1.15 -2.84 -1.32 0.00 0.00 176.35 173.23 1wr3 s PRO 6 N 2.15 1.85 0.54 0.98 0.02 -1.26 -4.92 135.00 134.35 1wr3 s PRO 6 Ca -0.04 1.52 0.32 0.00 0.02 0.00 0.00 61.00 62.82 1wr3 s PRO 6 Cb -0.05 -1.82 1.39 0.00 0.02 0.00 0.00 34.50 34.04 1wr3 s PRO 6 CO -0.17 -2.01 2.00 -1.00 -0.33 0.00 0.00 177.00 175.50 1wr3 h PRO 7 N -0.99 0.00 -1.13 5.54 0.13 -2.03 -2.69 132.00 130.82 1wr3 h PRO 7 Ca -0.45 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.22 1wr3 h PRO 7 Cb 1.27 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.17 1wr3 h PRO 7 CO 0.48 0.06 0.58 0.41 -0.23 0.00 0.00 178.00 179.30 1wr3 n GLY 8 N -0.13 4.50 3.33 1.56 0.00 -1.26 -4.90 105.19 108.29 1wr3 n GLY 8 Ca -0.00 -1.31 -0.24 0.00 0.00 0.00 0.00 46.02 44.47 1wr3 n GLY 8 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wr3 s TRP 9 N -2.69 1.92 -0.04 1.61 0.52 -1.02 0.12 118.94 119.36 1wr3 s TRP 9 Ca 0.46 -0.42 0.01 0.00 0.02 0.00 0.00 56.10 56.17 1wr3 s TRP 9 Cb 0.37 -1.01 0.02 0.00 -1.15 0.00 0.00 33.47 31.70 1wr3 s TRP 9 CO 0.03 0.29 -0.03 -2.00 0.02 0.00 0.00 176.95 175.27 1wr3 s GLU 10 N -2.27 0.69 -0.44 4.98 2.12 0.20 -4.94 118.70 119.04 1wr3 s GLU 10 Ca 0.12 -0.05 -0.21 0.00 0.36 0.00 0.00 54.97 55.19 1wr3 s GLU 10 Cb -0.09 -0.77 0.02 0.00 0.26 0.00 0.00 34.13 33.56 1wr3 s GLU 10 CO 0.06 -0.11 0.66 -2.00 -0.54 0.00 0.00 175.26 173.32 1wr3 s GLU 11 N 1.03 3.31 -0.00 4.30 2.12 -1.26 -0.31 118.70 127.88 1wr3 s GLU 11 Ca -0.09 -0.33 0.03 0.00 0.36 0.00 0.00 54.97 54.94 1wr3 s GLU 11 Cb -0.14 -3.94 -0.01 0.00 0.26 0.00 0.00 34.13 30.30 1wr3 s GLU 11 CO -0.01 -1.01 -0.10 0.15 -0.54 0.00 0.00 175.26 173.75 1wr3 s LYS 12 N 2.86 0.82 -0.26 4.30 1.02 0.46 -4.99 119.74 123.95 1wr3 s LYS 12 Ca 0.23 -0.40 -0.14 0.00 0.02 0.00 0.00 55.97 55.69 1wr3 s LYS 12 Cb -0.14 -0.79 -0.04 0.00 -0.52 0.00 0.00 37.83 36.34 1wr3 s LYS 12 CO 0.19 0.21 0.32 0.08 -0.92 0.00 0.00 175.35 175.24 1wr3 s VAL 13 N -0.31 5.22 1.01 3.17 1.01 -1.26 0.34 120.40 129.58 1wr3 s VAL 13 Ca 0.03 0.49 -0.16 0.00 0.00 0.00 0.00 61.98 62.34 1wr3 s VAL 13 Cb -0.04 -3.65 0.21 0.00 0.00 0.00 0.00 36.38 32.89 1wr3 s VAL 13 CO -0.00 0.21 1.23 -0.62 0.00 0.00 0.00 175.10 175.92 1wr3 s ASP 14 N 1.49 2.63 0.41 3.32 -1.08 -0.82 -4.85 116.67 117.77 1wr3 s ASP 14 Ca 0.14 0.49 0.20 0.00 -0.52 0.00 0.00 52.55 52.86 1wr3 s ASP 14 Cb -0.15 -0.69 1.15 0.00 -1.46 0.00 0.00 42.92 41.77 1wr3 s ASP 14 CO 0.09 -3.05 1.76 -1.13 0.52 0.00 0.00 175.17 173.36 1wr3 h ASN 15 N -1.85 0.41 -0.71 -0.34 -1.24 -1.98 0.34 115.58 110.20 1wr3 h ASN 15 Ca -0.45 0.09 -0.34 0.00 0.71 0.00 0.00 56.30 56.30 1wr3 h ASN 15 Cb 1.27 0.02 -0.20 0.00 0.73 0.00 0.00 38.32 40.14 1wr3 h ASN 15 CO 0.42 0.06 0.33 0.18 -1.29 0.00 0.00 177.43 177.12 1wr3 n LEU 16 N -4.62 5.65 -0.41 0.34 4.32 -1.26 -4.91 117.00 116.11 1wr3 n LEU 16 Ca 0.26 -3.59 -0.05 0.00 -0.02 0.00 0.00 56.01 52.61 1wr3 n LEU 16 Cb 0.94 -0.75 -0.02 0.00 -1.62 0.00 0.00 43.42 41.97 1wr3 n LEU 16 CO 0.25 1.07 -0.05 0.61 -1.22 0.00 0.00 177.39 178.06 1wr3 n GLY 17 N -0.97 0.79 3.49 -0.72 0.00 0.11 -4.97 105.19 102.91 1wr3 n GLY 17 Ca 0.47 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 1wr3 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wr3 s ARG 18 N -2.41 3.23 -0.61 1.61 3.00 -1.25 -4.85 118.95 117.66 1wr3 s ARG 18 Ca 0.00 -0.56 -0.27 0.00 0.00 0.00 0.00 55.73 54.90 1wr3 s ARG 18 Cb 0.00 -4.06 -0.02 0.00 0.00 0.00 0.00 34.95 30.87 1wr3 s ARG 18 CO 0.00 -1.31 1.83 0.99 0.00 0.00 0.00 175.30 176.81 1wr3 s THR 19 N 3.21 3.38 0.31 0.02 2.01 -1.26 -1.95 115.64 121.35 1wr3 s THR 19 Ca 0.22 0.22 0.07 0.00 0.31 0.00 0.00 61.69 62.52 1wr3 s THR 19 Cb -0.16 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.34 1wr3 s THR 19 CO 0.16 -0.94 0.27 -0.72 -0.69 0.00 0.00 174.62 172.69 1wr3 s TYR 20 N 8.85 2.98 -0.27 4.92 1.13 0.15 -4.66 117.35 130.45 1wr3 s TYR 20 Ca 0.66 -0.23 0.01 0.00 -1.41 0.00 0.00 57.07 56.10 1wr3 s TYR 20 Cb -0.13 -1.67 0.07 0.00 -1.10 0.00 0.00 41.96 39.14 1wr3 s TYR 20 CO 0.21 0.29 -0.02 0.71 -2.51 0.00 0.00 175.55 174.23 1wr3 s TYR 21 N -2.24 2.64 -0.30 -3.49 1.51 0.10 -0.40 117.35 115.17 1wr3 s TYR 21 Ca 0.38 -2.05 -0.16 0.00 -1.01 0.00 0.00 57.07 54.24 1wr3 s TYR 21 Cb -0.07 -1.89 -0.02 0.00 -0.11 0.00 0.00 41.96 39.87 1wr3 s TYR 21 CO 0.26 -0.83 0.41 0.54 -1.11 0.00 0.00 175.55 174.82 1wr3 s VAL 22 N 1.30 5.13 0.32 0.71 0.11 0.58 -3.10 120.40 125.46 1wr3 s VAL 22 Ca -0.01 0.44 -0.28 0.00 -2.93 0.00 0.00 61.98 59.21 1wr3 s VAL 22 Cb -0.19 -3.78 -0.09 0.00 -1.53 0.00 0.00 36.38 30.78 1wr3 s VAL 22 CO -0.09 0.03 1.14 0.21 -3.33 0.00 0.00 175.10 173.06 1wr3 s ASN 23 N 1.68 6.98 0.00 3.54 3.84 0.24 -0.63 114.94 130.59 1wr3 s ASN 23 Ca 0.15 2.34 0.23 0.00 0.21 0.00 0.00 52.86 55.79 1wr3 s ASN 23 Cb -0.16 -2.62 0.13 0.00 -0.55 0.00 0.00 41.25 38.05 1wr3 s ASN 23 CO 0.11 -0.35 1.18 1.41 -2.79 0.00 0.00 177.10 176.66 1wr3 n HIS 24 N 0.77 0.00 0.00 0.43 8.25 0.33 -2.67 115.22 122.33 1wr3 n HIS 24 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1wr3 n HIS 24 Cb 0.45 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.55 1wr3 n HIS 24 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1wr3 n ASN 25 N 0.12 0.00 0.14 0.41 3.02 -1.26 -4.59 115.26 113.10 1wr3 n ASN 25 Ca 0.10 0.07 0.12 0.00 -0.03 0.00 0.00 54.58 54.84 1wr3 n ASN 25 Cb 0.47 -0.48 0.22 0.00 -0.61 0.00 0.00 39.78 39.38 1wr3 n ASN 25 CO 0.00 0.00 0.00 -1.13 -2.62 0.00 0.00 177.26 173.51 1wr3 h ASN 26 N 0.00 0.00 -2.32 6.41 -0.73 -1.94 -3.47 115.58 113.52 1wr3 h ASN 26 Ca 0.00 -0.04 -0.20 0.00 1.87 0.00 0.00 56.30 57.93 1wr3 h ASN 26 Cb 0.00 0.00 0.03 0.00 0.27 0.00 0.00 38.32 38.62 1wr3 h ASN 26 CO 0.00 0.02 -0.29 0.54 -0.37 0.00 0.00 177.43 177.33 1wr3 n ARG 27 N -2.60 -2.22 -1.97 6.67 5.12 -1.09 -4.97 116.66 115.59 1wr3 n ARG 27 Ca 0.04 0.45 -0.43 0.00 -1.93 0.00 0.00 57.85 55.98 1wr3 n ARG 27 Cb 0.49 -4.37 -0.03 0.00 -1.16 0.00 0.00 32.46 27.39 1wr3 n ARG 27 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1wr3 s SER 28 N -2.82 6.37 -0.94 0.55 0.01 -1.25 -4.69 113.70 110.93 1wr3 s SER 28 Ca 0.13 1.97 -0.03 0.00 1.31 0.00 0.00 55.95 59.33 1wr3 s SER 28 Cb -0.06 -2.53 0.24 0.00 0.21 0.00 0.00 66.02 63.88 1wr3 s SER 28 CO 0.16 -1.21 0.88 0.35 0.41 0.00 0.00 173.24 173.83 1wr3 n THR 29 N 6.17 3.38 -4.09 1.44 -2.24 -1.26 -0.59 114.28 117.09 1wr3 n THR 29 Ca 0.20 -5.20 -0.25 0.00 -2.27 0.00 0.00 64.05 56.52 1wr3 n THR 29 Cb 0.44 -2.40 -0.05 0.00 -2.10 0.00 0.00 70.33 66.22 1wr3 n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wr3 s GLN 30 N -1.46 2.90 -0.35 -0.78 1.03 -1.18 -4.90 119.66 114.93 1wr3 s GLN 30 Ca 0.29 -0.92 0.07 0.00 0.04 0.00 0.00 55.36 54.83 1wr3 s GLN 30 Cb -0.06 -2.62 0.51 0.00 0.03 0.00 0.00 33.01 30.87 1wr3 s GLN 30 CO -0.11 0.46 1.54 0.91 -2.54 0.00 0.00 175.29 175.55 1wr3 n TRP 31 N -0.57 1.73 -0.11 9.60 7.02 -1.26 0.03 117.44 133.88 1wr3 n TRP 31 Ca -0.08 -1.87 0.00 0.00 -1.02 0.00 0.00 57.50 54.53 1wr3 n TRP 31 Cb 0.56 -0.62 0.00 0.00 -2.42 0.00 0.00 31.31 28.82 1wr3 n TRP 31 CO 0.00 0.00 0.00 -2.39 -2.02 0.00 0.00 177.69 173.28 1wr3 n HIS 32 N -1.06 0.00 -1.02 -5.99 1.44 -1.26 -4.88 115.22 102.46 1wr3 n HIS 32 Ca 0.41 -0.09 0.00 0.00 -2.01 0.00 0.00 57.72 56.03 1wr3 n HIS 32 Cb 1.06 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 31.16 1wr3 n HIS 32 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 1wr3 n ARG 33 N -0.09 -2.89 -1.92 -1.40 0.63 -1.26 -4.71 116.66 105.02 1wr3 n ARG 33 Ca 0.00 2.12 -0.27 0.00 -0.92 0.00 0.00 57.85 58.78 1wr3 n ARG 33 Cb 0.08 -2.37 -0.05 0.00 0.45 0.00 0.00 32.46 30.57 1wr3 n ARG 33 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1wr3 s PRO 34 N -3.92 2.35 0.70 -0.14 0.04 -1.26 -4.96 135.00 127.82 1wr3 s PRO 34 Ca 0.00 0.14 0.02 0.00 0.04 0.00 0.00 61.00 61.20 1wr3 s PRO 34 Cb 0.00 -4.85 0.13 0.00 0.04 0.00 0.00 34.50 29.82 1wr3 s PRO 34 CO 0.00 -3.46 0.96 -1.13 0.04 0.00 0.00 177.00 173.42 1wr3 n SER 35 N 14.77 1.54 -0.06 6.66 3.41 -1.26 -4.73 113.62 133.96 1wr3 n SER 35 Ca 0.37 -2.24 0.16 0.00 -0.26 0.00 0.00 58.87 56.90 1wr3 n SER 35 Cb 0.48 -0.60 0.90 0.00 -0.26 0.00 0.00 64.21 64.73 1wr3 n SER 35 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77