#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 7.04 0.00 1.61 0.01 -1.26 -4.91 113.70 116.19 1wr4 s SER 2 Ca 0.00 2.39 -0.03 0.00 1.31 0.00 0.00 55.95 59.62 1wr4 s SER 2 Cb 0.00 -2.63 -0.12 0.00 0.21 0.00 0.00 66.02 63.48 1wr4 s SER 2 CO 0.00 -0.32 2.59 -2.65 0.41 0.00 0.00 173.24 173.27 1wr4 n PRO 3 N 0.93 1.37 -3.54 12.44 -0.02 -1.26 -4.76 135.00 140.15 1wr4 n PRO 3 Ca -0.00 -0.45 -0.12 0.00 -2.02 0.00 0.00 63.50 60.91 1wr4 n PRO 3 Cb 0.44 -1.49 -0.05 0.00 -0.02 0.00 0.00 33.50 32.38 1wr4 n PRO 3 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1wr4 s GLY 4 N 2.04 -0.39 0.26 -1.23 0.00 -1.26 -5.18 107.32 101.56 1wr4 s GLY 4 Ca 0.30 1.60 0.03 0.00 0.00 0.00 0.00 44.72 46.65 1wr4 s GLY 4 CO 0.00 0.85 0.42 1.08 0.00 0.00 0.00 173.10 175.45 1wr4 s LEU 5 N -1.45 4.21 0.00 0.66 1.43 -1.26 -5.11 118.68 117.16 1wr4 s LEU 5 Ca -0.03 0.24 -0.23 0.00 -1.03 0.00 0.00 54.13 53.09 1wr4 s LEU 5 Cb -0.00 -3.05 0.36 0.00 0.03 0.00 0.00 46.19 43.53 1wr4 s LEU 5 CO 0.01 -0.13 0.86 -2.65 0.23 0.00 0.00 176.35 174.67 1wr4 n PRO 6 N -1.36 -4.64 -1.56 1.29 -0.02 -1.26 -4.78 135.00 122.66 1wr4 n PRO 6 Ca -0.07 -1.43 -0.39 0.00 -2.02 0.00 0.00 63.50 59.59 1wr4 n PRO 6 Cb 0.56 -1.80 -0.03 0.00 -0.02 0.00 0.00 33.50 32.20 1wr4 n PRO 6 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1wr4 n SER 7 N -5.65 2.63 0.00 2.55 7.64 -1.26 -1.64 113.62 117.89 1wr4 n SER 7 Ca 0.13 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1wr4 n SER 7 Cb 0.58 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 1wr4 n SER 7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wr4 n GLY 8 N 5.96 0.76 3.73 0.23 0.00 -1.26 -4.85 105.19 109.75 1wr4 n GLY 8 Ca 0.35 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.20 3.53 0.03 1.61 0.52 -0.65 -0.46 118.94 121.33 1wr4 s TRP 9 Ca 0.00 0.92 0.04 0.00 0.02 0.00 0.00 56.10 57.08 1wr4 s TRP 9 Cb 0.00 -2.55 -0.02 0.00 -1.15 0.00 0.00 33.47 29.76 1wr4 s TRP 9 CO 0.00 0.20 -0.12 -2.00 0.02 0.00 0.00 176.95 175.06 1wr4 s GLU 10 N 0.49 0.78 -0.12 4.98 2.12 -0.45 -4.68 118.70 121.81 1wr4 s GLU 10 Ca 0.26 -0.68 -0.09 0.00 0.36 0.00 0.00 54.97 54.83 1wr4 s GLU 10 Cb -0.15 -0.73 -0.04 0.00 0.26 0.00 0.00 34.13 33.46 1wr4 s GLU 10 CO 0.11 0.18 0.18 -2.00 -0.54 0.00 0.00 175.26 173.19 1wr4 s GLU 11 N -1.09 3.69 0.39 4.30 2.12 -1.26 0.90 118.70 127.74 1wr4 s GLU 11 Ca -0.01 -0.07 0.04 0.00 0.36 0.00 0.00 54.97 55.29 1wr4 s GLU 11 Cb -0.07 -3.25 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 1wr4 s GLU 11 CO 0.01 0.65 0.14 1.03 -0.54 0.00 0.00 175.26 176.54 1wr4 s ARG 12 N -0.69 1.89 -0.02 4.30 0.52 -0.14 -4.94 118.95 119.88 1wr4 s ARG 12 Ca 0.15 -2.14 0.01 0.00 -0.52 0.00 0.00 55.73 53.23 1wr4 s ARG 12 Cb -0.12 -0.54 0.01 0.00 0.52 0.00 0.00 34.95 34.82 1wr4 s ARG 12 CO 0.04 -0.47 -0.04 -1.59 0.02 0.00 0.00 175.30 173.26 1wr4 s LYS 13 N -3.71 0.49 0.80 3.54 -2.85 -1.26 -1.99 119.74 114.76 1wr4 s LYS 13 Ca 0.26 -0.12 -0.10 0.00 -1.00 0.00 0.00 55.97 55.01 1wr4 s LYS 13 Cb 0.03 -0.52 0.08 0.00 -2.06 0.00 0.00 37.83 35.36 1wr4 s LYS 13 CO 0.15 0.02 1.10 0.34 0.10 0.00 0.00 175.35 177.07 1wr4 s ASP 14 N 0.34 4.16 0.54 0.03 -1.08 0.12 -4.82 116.67 115.95 1wr4 s ASP 14 Ca -0.04 1.90 0.22 0.00 -0.52 0.00 0.00 52.55 54.12 1wr4 s ASP 14 Cb -0.07 -2.53 1.40 0.00 -1.46 0.00 0.00 42.92 40.26 1wr4 s ASP 14 CO -0.00 -2.27 2.08 0.00 0.52 0.00 0.00 175.17 175.50 1wr4 h ALA 15 N -1.29 2.18 -0.10 3.66 0.00 -2.01 0.31 119.26 122.02 1wr4 h ALA 15 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1wr4 h ALA 15 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1wr4 h ALA 15 CO 0.49 -0.34 0.00 1.63 0.00 0.00 0.00 179.25 181.03 1wr4 n LYS 16 N -4.34 1.43 -1.52 0.00 5.02 -1.26 -4.88 118.16 112.62 1wr4 n LYS 16 Ca 0.03 -0.65 0.00 0.00 -2.02 0.00 0.00 58.31 55.67 1wr4 n LYS 16 Cb 0.36 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1wr4 n LYS 16 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wr4 n GLY 17 N 0.99 0.92 3.71 0.72 0.00 0.11 -5.06 105.19 106.58 1wr4 n GLY 17 Ca 0.15 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.21 4.23 -0.18 1.61 0.52 -1.21 -4.82 118.95 115.89 1wr4 s ARG 18 Ca 0.00 0.12 -0.19 0.00 -0.52 0.00 0.00 55.73 55.14 1wr4 s ARG 18 Cb 0.00 -3.46 -0.03 0.00 0.52 0.00 0.00 34.95 31.98 1wr4 s ARG 18 CO 0.00 0.15 0.54 0.99 0.02 0.00 0.00 175.30 177.00 1wr4 s THR 19 N 0.73 5.10 0.09 0.02 2.01 -1.26 0.14 115.64 122.47 1wr4 s THR 19 Ca 0.17 1.03 -0.01 0.00 0.31 0.00 0.00 61.69 63.19 1wr4 s THR 19 Cb -0.14 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1wr4 s THR 19 CO 0.05 0.19 0.01 -0.72 -0.69 0.00 0.00 174.62 173.46 1wr4 s TYR 20 N 1.50 0.70 -0.16 4.92 1.13 -0.84 -4.92 117.35 119.67 1wr4 s TYR 20 Ca 0.26 -1.15 -0.01 0.00 -1.41 0.00 0.00 57.07 54.75 1wr4 s TYR 20 Cb -0.16 -0.44 -0.01 0.00 -1.10 0.00 0.00 41.96 40.26 1wr4 s TYR 20 CO 0.10 -0.45 -0.10 0.71 -2.51 0.00 0.00 175.55 173.30 1wr4 s TYR 21 N -3.98 2.86 -0.28 -3.49 2.02 0.85 -0.97 117.35 114.36 1wr4 s TYR 21 Ca 0.16 -0.81 -0.00 0.00 -0.37 0.00 0.00 57.07 56.04 1wr4 s TYR 21 Cb 0.08 -1.94 0.05 0.00 -0.40 0.00 0.00 41.96 39.75 1wr4 s TYR 21 CO -0.04 -0.37 -0.04 0.54 -1.57 0.00 0.00 175.55 174.08 1wr4 s VAL 22 N 0.80 2.75 -0.29 0.71 0.11 0.26 -0.10 120.40 124.64 1wr4 s VAL 22 Ca -0.04 -1.43 -0.27 0.00 -2.93 0.00 0.00 61.98 57.31 1wr4 s VAL 22 Cb -0.15 -2.58 0.01 0.00 -1.53 0.00 0.00 36.38 32.13 1wr4 s VAL 22 CO 0.01 -0.06 0.98 0.21 -3.33 0.00 0.00 175.10 172.91 1wr4 s ASN 23 N 1.22 6.91 0.38 3.54 3.84 0.82 -1.34 114.94 130.30 1wr4 s ASN 23 Ca -0.06 1.05 0.20 0.00 0.21 0.00 0.00 52.86 54.26 1wr4 s ASN 23 Cb -0.20 -2.50 0.37 0.00 -0.55 0.00 0.00 41.25 38.38 1wr4 s ASN 23 CO -0.02 -0.73 1.60 0.45 -2.79 0.00 0.00 177.10 175.60 1wr4 h HIS 24 N 7.89 0.00 0.15 0.43 3.86 -1.08 0.16 115.15 126.57 1wr4 h HIS 24 Ca -0.21 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.77 1wr4 h HIS 24 Cb 1.07 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.56 1wr4 h HIS 24 CO 0.79 0.25 -1.08 -0.97 0.86 0.00 0.00 177.93 177.78 1wr4 h ASN 25 N 0.00 0.50 -0.46 2.45 -1.24 -1.89 -3.32 115.58 111.61 1wr4 h ASN 25 Ca -0.00 -0.92 0.00 0.00 0.71 0.00 0.00 56.30 56.09 1wr4 h ASN 25 Cb 1.10 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.98 1wr4 h ASN 25 CO 0.03 1.50 0.00 -3.20 -1.29 0.00 0.00 177.43 174.48 1wr4 n ASN 26 N -4.01 3.57 -3.53 1.15 5.15 -1.24 -4.95 115.26 111.40 1wr4 n ASN 26 Ca -0.17 -1.99 -0.24 0.00 -0.60 0.00 0.00 54.58 51.57 1wr4 n ASN 26 Cb 0.89 -0.30 -0.02 0.00 -0.53 0.00 0.00 39.78 39.81 1wr4 n ASN 26 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 1wr4 n ARG 27 N 1.51 -2.69 -3.69 1.20 1.85 0.52 -4.92 116.66 110.44 1wr4 n ARG 27 Ca 0.20 0.31 -0.37 0.00 -1.00 0.00 0.00 57.85 56.99 1wr4 n ARG 27 Cb 0.61 -4.95 -0.11 0.00 -1.05 0.00 0.00 32.46 26.95 1wr4 n ARG 27 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1wr4 s THR 28 N -2.86 5.05 -0.86 8.89 -4.23 -0.86 -4.89 115.64 115.87 1wr4 s THR 28 Ca 0.45 0.08 -0.09 0.00 -1.18 0.00 0.00 61.69 60.95 1wr4 s THR 28 Cb -0.25 -3.37 0.22 0.00 1.34 0.00 0.00 72.50 70.44 1wr4 s THR 28 CO 0.55 0.32 0.77 -0.89 -0.54 0.00 0.00 174.62 174.83 1wr4 s THR 29 N 1.40 5.08 0.13 3.99 2.01 -1.26 -0.13 115.64 126.87 1wr4 s THR 29 Ca 0.07 -3.01 0.00 0.00 0.31 0.00 0.00 61.69 59.06 1wr4 s THR 29 Cb -0.15 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 1wr4 s THR 29 CO 0.07 -1.04 0.29 0.28 -0.69 0.00 0.00 174.62 173.53 1wr4 s THR 30 N -0.44 5.30 -0.27 -0.82 -1.32 0.86 -4.90 115.64 114.05 1wr4 s THR 30 Ca 0.22 -0.47 0.12 0.00 -1.21 0.00 0.00 61.69 60.35 1wr4 s THR 30 Cb -0.12 -3.70 0.61 0.00 -1.51 0.00 0.00 72.50 67.78 1wr4 s THR 30 CO -0.08 -0.03 1.59 0.79 -2.21 0.00 0.00 174.62 174.68 1wr4 n TRP 31 N -0.28 1.59 -4.39 9.09 7.02 -1.26 -0.11 117.44 129.10 1wr4 n TRP 31 Ca -0.05 -1.22 -0.21 0.00 -1.02 0.00 0.00 57.50 55.00 1wr4 n TRP 31 Cb 0.53 -0.52 -0.10 0.00 -2.42 0.00 0.00 31.31 28.80 1wr4 n TRP 31 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1wr4 s THR 32 N -3.02 2.04 -0.36 -0.99 -1.32 -1.26 -4.95 115.64 105.79 1wr4 s THR 32 Ca 0.48 -2.25 -0.29 0.00 -1.21 0.00 0.00 61.69 58.42 1wr4 s THR 32 Cb 0.40 -2.12 0.02 0.00 -1.51 0.00 0.00 72.50 69.29 1wr4 s THR 32 CO 0.08 -0.48 1.15 -0.60 -2.21 0.00 0.00 174.62 172.57 1wr4 s ARG 33 N -3.47 3.93 -0.39 7.08 6.06 -1.26 -4.75 118.95 126.15 1wr4 s ARG 33 Ca 0.24 0.98 -0.27 0.00 -2.50 0.00 0.00 55.73 54.18 1wr4 s ARG 33 Cb -0.03 -3.82 -0.05 0.00 0.06 0.00 0.00 34.95 31.11 1wr4 s ARG 33 CO 0.10 -1.09 2.15 -2.14 -2.50 0.00 0.00 175.30 171.82 1wr4 s PRO 34 N 4.00 2.74 -0.97 5.12 0.02 -1.26 -4.92 135.00 139.73 1wr4 s PRO 34 Ca 0.49 1.48 -0.21 0.00 0.02 0.00 0.00 61.00 62.78 1wr4 s PRO 34 Cb -0.12 -4.41 0.09 0.00 0.02 0.00 0.00 34.50 30.08 1wr4 s PRO 34 CO 0.22 -2.56 1.27 0.42 -0.33 0.00 0.00 177.00 176.02 1wr4 s ILE 35 N 9.49 4.36 -2.43 2.83 -1.09 -1.26 -4.86 121.20 128.25 1wr4 s ILE 35 Ca 0.90 -1.21 0.29 0.00 -2.23 0.00 0.00 60.65 58.40 1wr4 s ILE 35 Cb -0.22 -4.91 0.60 0.00 -1.58 0.00 0.00 42.46 36.36 1wr4 s ILE 35 CO 0.29 -1.70 1.82 0.80 -1.23 0.00 0.00 174.94 174.92