#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr4 s SER 2 N 0.00 4.44 0.37 1.61 0.01 -1.26 -5.10 113.70 113.78 1wr4 s SER 2 Ca 0.00 -0.89 -0.27 0.00 1.31 0.00 0.00 55.95 56.10 1wr4 s SER 2 Cb 0.00 -1.69 -0.09 0.00 0.21 0.00 0.00 66.02 64.45 1wr4 s SER 2 CO 0.00 -0.14 1.25 -2.84 0.41 0.00 0.00 173.24 171.91 1wr4 s PRO 3 N 1.34 4.17 0.00 12.44 0.02 -1.26 -3.98 135.00 147.72 1wr4 s PRO 3 Ca -0.00 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.07 1wr4 s PRO 3 Cb -0.17 -2.87 0.00 0.00 0.02 0.00 0.00 34.50 31.48 1wr4 s PRO 3 CO -0.03 -0.29 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 1wr4 n GLY 4 N 0.75 1.06 3.70 0.52 0.00 -1.26 -5.10 105.19 104.86 1wr4 n GLY 4 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1wr4 n GLY 4 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wr4 s LEU 5 N 0.00 4.31 0.96 0.99 1.02 -1.26 -4.94 118.68 119.77 1wr4 s LEU 5 Ca 0.00 1.80 -0.13 0.00 0.02 0.00 0.00 54.13 55.83 1wr4 s LEU 5 Cb 0.00 -3.56 0.06 0.00 0.02 0.00 0.00 46.19 42.70 1wr4 s LEU 5 CO 0.00 -0.49 0.48 -2.65 0.02 0.00 0.00 176.35 173.70 1wr4 n PRO 6 N 4.68 -0.45 -1.75 1.29 -0.02 -1.26 -4.79 135.00 132.70 1wr4 n PRO 6 Ca 0.09 -0.09 -0.39 0.00 -2.02 0.00 0.00 63.50 61.09 1wr4 n PRO 6 Cb 0.47 -1.91 -0.03 0.00 -0.02 0.00 0.00 33.50 32.01 1wr4 n PRO 6 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1wr4 s SER 7 N -2.09 5.07 0.00 2.55 0.01 -1.26 -0.89 113.70 117.09 1wr4 s SER 7 Ca 0.58 1.12 0.00 0.00 1.31 0.00 0.00 55.95 58.96 1wr4 s SER 7 Cb -0.21 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.51 1wr4 s SER 7 CO 0.66 -2.39 0.00 0.61 0.41 0.00 0.00 173.24 172.54 1wr4 n GLY 8 N 5.79 1.53 3.80 3.44 0.00 -1.26 -4.92 105.19 113.57 1wr4 n GLY 8 Ca 0.29 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.93 1wr4 n GLY 8 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wr4 s TRP 9 N -1.02 3.79 0.04 1.61 0.52 -0.07 -0.29 118.94 123.52 1wr4 s TRP 9 Ca 0.00 1.43 0.02 0.00 0.02 0.00 0.00 56.10 57.57 1wr4 s TRP 9 Cb 0.00 -2.62 -0.02 0.00 -1.15 0.00 0.00 33.47 29.67 1wr4 s TRP 9 CO 0.00 0.48 -0.07 -2.00 0.02 0.00 0.00 176.95 175.38 1wr4 s GLU 10 N -1.41 0.50 0.01 4.98 2.12 -0.31 -4.79 118.70 119.80 1wr4 s GLU 10 Ca 0.36 -0.75 0.01 0.00 0.36 0.00 0.00 54.97 54.95 1wr4 s GLU 10 Cb -0.20 -0.24 -0.04 0.00 0.26 0.00 0.00 34.13 33.92 1wr4 s GLU 10 CO 0.22 0.04 0.03 -1.83 -0.54 0.00 0.00 175.26 173.18 1wr4 s GLU 11 N -1.60 2.88 0.18 4.30 4.04 -1.26 0.77 118.70 128.01 1wr4 s GLU 11 Ca -0.10 -0.58 0.01 0.00 0.04 0.00 0.00 54.97 54.34 1wr4 s GLU 11 Cb -0.10 -2.74 -0.00 0.00 0.02 0.00 0.00 34.13 31.31 1wr4 s GLU 11 CO 0.00 0.63 0.22 0.54 -1.84 0.00 0.00 175.26 174.80 1wr4 n ARG 12 N 1.23 0.31 -4.03 -4.83 1.74 0.36 -4.90 116.66 106.54 1wr4 n ARG 12 Ca -0.13 -1.60 -0.09 0.00 -0.77 0.00 0.00 57.85 55.26 1wr4 n ARG 12 Cb 0.53 1.44 -0.11 0.00 -1.02 0.00 0.00 32.46 33.30 1wr4 n ARG 12 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1wr4 s LYS 13 N -2.54 0.44 -0.14 5.56 1.02 -1.26 -1.27 119.74 121.56 1wr4 s LYS 13 Ca 0.18 -0.82 0.08 0.00 0.02 0.00 0.00 55.97 55.43 1wr4 s LYS 13 Cb 0.00 0.06 0.48 0.00 -0.52 0.00 0.00 37.83 37.85 1wr4 s LYS 13 CO 0.13 -0.05 1.22 -0.40 -0.92 0.00 0.00 175.35 175.33 1wr4 n ASP 14 N 1.13 3.74 0.00 2.83 5.75 -0.38 -4.87 116.55 124.74 1wr4 n ASP 14 Ca -0.21 -2.54 0.00 0.00 -0.01 0.00 0.00 54.79 52.04 1wr4 n ASP 14 Cb 0.57 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 1wr4 n ASP 14 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wr4 n ALA 15 N 0.36 0.00 -1.47 2.12 0.00 -1.26 -4.77 120.51 115.49 1wr4 n ALA 15 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.24 1wr4 n ALA 15 Cb 0.80 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.32 1wr4 n ALA 15 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wr4 n LYS 16 N -0.39 2.73 0.00 0.00 4.01 -1.26 -4.85 118.16 118.39 1wr4 n LYS 16 Ca 0.00 -3.36 0.00 0.00 -0.51 0.00 0.00 58.31 54.44 1wr4 n LYS 16 Cb 0.00 -2.29 0.00 0.00 -0.51 0.00 0.00 35.03 32.23 1wr4 n LYS 16 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wr4 n GLY 17 N -0.84 2.38 3.68 0.72 0.00 -1.26 -4.96 105.19 104.91 1wr4 n GLY 17 Ca 0.61 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 46.19 1wr4 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wr4 s ARG 18 N 0.00 4.17 -0.30 1.61 3.00 -1.26 -4.86 118.95 121.31 1wr4 s ARG 18 Ca 0.00 2.44 -0.10 0.00 0.00 0.00 0.00 55.73 58.08 1wr4 s ARG 18 Cb 0.00 -3.83 -0.02 0.00 0.00 0.00 0.00 34.95 31.11 1wr4 s ARG 18 CO 0.00 -0.84 0.15 0.99 0.00 0.00 0.00 175.30 175.60 1wr4 s THR 19 N 3.43 4.68 0.20 0.02 2.01 -1.26 -1.25 115.64 123.46 1wr4 s THR 19 Ca 0.79 -0.30 0.11 0.00 0.31 0.00 0.00 61.69 62.61 1wr4 s THR 19 Cb -0.41 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1wr4 s THR 19 CO 0.35 0.13 -0.23 -0.72 -0.69 0.00 0.00 174.62 173.46 1wr4 s TYR 20 N 1.64 2.27 -0.24 4.92 1.13 -0.40 -4.85 117.35 121.82 1wr4 s TYR 20 Ca 0.05 -0.36 -0.07 0.00 -1.41 0.00 0.00 57.07 55.28 1wr4 s TYR 20 Cb -0.17 -1.12 -0.03 0.00 -1.10 0.00 0.00 41.96 39.55 1wr4 s TYR 20 CO 0.07 0.50 0.07 0.71 -2.51 0.00 0.00 175.55 174.38 1wr4 s TYR 21 N -1.73 3.10 -0.29 -3.49 1.51 0.12 -0.49 117.35 116.08 1wr4 s TYR 21 Ca 0.21 -0.37 -0.01 0.00 -1.01 0.00 0.00 57.07 55.89 1wr4 s TYR 21 Cb -0.08 -2.22 0.05 0.00 -0.11 0.00 0.00 41.96 39.60 1wr4 s TYR 21 CO 0.10 -0.30 -0.02 0.54 -1.11 0.00 0.00 175.55 174.76 1wr4 s VAL 22 N 1.47 2.90 -0.22 0.71 0.11 0.23 0.55 120.40 126.16 1wr4 s VAL 22 Ca 0.06 -1.33 -0.20 0.00 -2.93 0.00 0.00 61.98 57.57 1wr4 s VAL 22 Cb -0.15 -2.64 -0.02 0.00 -1.53 0.00 0.00 36.38 32.04 1wr4 s VAL 22 CO 0.04 -0.04 0.61 0.21 -3.33 0.00 0.00 175.10 172.58 1wr4 s ASN 23 N 1.26 6.62 0.06 3.54 3.84 0.12 -1.16 114.94 129.22 1wr4 s ASN 23 Ca -0.05 0.76 0.17 0.00 0.21 0.00 0.00 52.86 53.95 1wr4 s ASN 23 Cb -0.19 -2.33 -0.13 0.00 -0.55 0.00 0.00 41.25 38.04 1wr4 s ASN 23 CO -0.02 -0.28 0.83 0.45 -2.79 0.00 0.00 177.10 175.28 1wr4 h HIS 24 N 7.61 0.00 -0.01 0.43 3.86 -0.93 0.13 115.15 126.25 1wr4 h HIS 24 Ca -0.30 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.72 1wr4 h HIS 24 Cb 1.14 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.60 1wr4 h HIS 24 CO 0.72 0.59 -0.83 -2.95 0.86 0.00 0.00 177.93 176.32 1wr4 h ASN 25 N 0.00 0.23 -0.01 2.45 -1.07 -1.90 -3.22 115.58 112.05 1wr4 h ASN 25 Ca -0.16 -0.18 0.00 0.00 0.07 0.00 0.00 56.30 56.03 1wr4 h ASN 25 Cb 1.59 -0.07 0.00 0.00 -2.07 0.00 0.00 38.32 37.77 1wr4 h ASN 25 CO 0.05 0.96 -0.02 -3.20 0.07 0.00 0.00 177.43 175.28 1wr4 n ASN 26 N -3.68 1.84 -3.59 6.14 5.15 -1.26 -5.00 115.26 114.86 1wr4 n ASN 26 Ca -0.03 -1.42 -0.21 0.00 -0.60 0.00 0.00 54.58 52.31 1wr4 n ASN 26 Cb 0.77 0.05 0.07 0.00 -0.53 0.00 0.00 39.78 40.15 1wr4 n ASN 26 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1wr4 n ARG 27 N 0.52 -6.58 -4.53 1.20 0.00 -0.43 -4.99 116.66 101.85 1wr4 n ARG 27 Ca 0.06 0.77 -0.31 0.00 -0.00 0.00 0.00 57.85 58.37 1wr4 n ARG 27 Cb 0.27 -5.70 -0.11 0.00 0.00 0.00 0.00 32.46 26.92 1wr4 n ARG 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1wr4 s THR 28 N -3.40 3.29 -0.35 5.15 2.01 0.33 -4.95 115.64 117.72 1wr4 s THR 28 Ca 0.25 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.32 1wr4 s THR 28 Cb -0.12 -2.42 0.10 0.00 0.01 0.00 0.00 72.50 70.07 1wr4 s THR 28 CO 0.76 0.36 0.07 0.42 -0.69 0.00 0.00 174.62 175.53 1wr4 s THR 29 N -0.98 2.47 -0.14 -0.82 -4.23 -1.26 0.16 115.64 110.84 1wr4 s THR 29 Ca 0.16 -2.23 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 1wr4 s THR 29 Cb -0.11 -2.77 -0.01 0.00 1.34 0.00 0.00 72.50 70.96 1wr4 s THR 29 CO 0.07 -0.57 -0.15 -0.89 -0.54 0.00 0.00 174.62 172.54 1wr4 s THR 30 N 0.96 2.73 -1.15 3.99 2.01 0.19 -4.97 115.64 119.40 1wr4 s THR 30 Ca 0.09 -0.76 -0.03 0.00 0.31 0.00 0.00 61.69 61.30 1wr4 s THR 30 Cb -0.20 -2.14 0.22 0.00 0.01 0.00 0.00 72.50 70.39 1wr4 s THR 30 CO -0.07 0.52 2.12 0.79 -0.69 0.00 0.00 174.62 177.29 1wr4 n TRP 31 N 3.85 2.66 -3.60 4.92 7.02 -1.26 0.15 117.44 131.19 1wr4 n TRP 31 Ca -0.19 -2.67 -0.11 0.00 -1.02 0.00 0.00 57.50 53.52 1wr4 n TRP 31 Cb 0.52 -1.51 -0.06 0.00 -2.42 0.00 0.00 31.31 27.84 1wr4 n TRP 31 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1wr4 s THR 32 N -2.78 0.00 -0.15 -0.99 2.01 -1.26 -5.00 115.64 107.47 1wr4 s THR 32 Ca 0.47 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 62.18 1wr4 s THR 32 Cb 0.20 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 1wr4 s THR 32 CO -0.12 0.00 1.59 -0.13 -0.69 0.00 0.00 174.62 175.26 1wr4 s ARG 33 N -0.49 4.00 0.27 4.92 3.00 -1.26 -4.72 118.95 124.67 1wr4 s ARG 33 Ca -0.00 1.87 -0.30 0.00 0.00 0.00 0.00 55.73 57.30 1wr4 s ARG 33 Cb -0.03 -3.98 -0.11 0.00 0.00 0.00 0.00 34.95 30.83 1wr4 s ARG 33 CO -0.01 -1.05 1.55 -1.25 0.00 0.00 0.00 175.30 174.54 1wr4 s PRO 34 N 4.28 4.18 -0.01 3.54 0.04 -1.26 -4.91 135.00 140.86 1wr4 s PRO 34 Ca 0.70 2.48 0.18 0.00 0.04 0.00 0.00 61.00 64.40 1wr4 s PRO 34 Cb -0.28 -3.06 -0.22 0.00 0.04 0.00 0.00 34.50 30.98 1wr4 s PRO 34 CO 0.27 -0.57 0.66 0.44 0.04 0.00 0.00 177.00 177.85 1wr4 n ILE 35 N 2.40 0.00 -0.25 0.56 -5.35 -1.26 -4.84 119.36 110.62 1wr4 n ILE 35 Ca 0.08 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 1wr4 n ILE 35 Cb 0.38 0.74 0.00 0.00 -1.74 0.00 0.00 39.64 39.02 1wr4 n ILE 35 CO 0.00 0.00 0.00 0.80 -1.76 0.00 0.00 176.55 175.59