#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 4.91 -0.48 1.61 0.01 -1.26 -4.96 113.70 113.53 1wr4 s SER 2 Ca 0.00 -2.80 -0.27 0.00 1.31 0.00 0.00 55.95 54.19 1wr4 s SER 2 Cb 0.00 -1.77 -0.02 0.00 0.21 0.00 0.00 66.02 64.44 1wr4 s SER 2 CO 0.00 -0.34 1.83 -2.84 0.41 0.00 0.00 173.24 172.30 1wr4 s PRO 3 N 0.02 2.95 -0.79 12.44 0.02 -1.26 -2.33 135.00 146.05 1wr4 s PRO 3 Ca 0.16 1.00 0.00 0.00 0.02 0.00 0.00 61.00 62.18 1wr4 s PRO 3 Cb -0.22 -4.30 0.00 0.00 0.02 0.00 0.00 34.50 30.00 1wr4 s PRO 3 CO -0.03 -2.33 0.00 0.41 -0.33 0.00 0.00 177.00 174.73 1wr4 n GLY 4 N 5.56 0.38 3.06 0.52 0.00 -1.26 -4.93 105.19 108.52 1wr4 n GLY 4 Ca 0.22 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.27 2.37 1.00 0.99 1.43 -0.98 -5.00 118.68 116.22 1wr4 s LEU 5 Ca 0.00 -0.77 -0.12 0.00 -1.03 0.00 0.00 54.13 52.21 1wr4 s LEU 5 Cb 0.00 0.06 0.14 0.00 0.03 0.00 0.00 46.19 46.42 1wr4 s LEU 5 CO 0.00 -0.42 0.77 -2.65 0.23 0.00 0.00 176.35 174.29 1wr4 n PRO 6 N 0.79 -0.90 0.16 1.29 -0.02 -1.26 -4.73 135.00 130.33 1wr4 n PRO 6 Ca -0.18 -0.21 0.10 0.00 -2.02 0.00 0.00 63.50 61.18 1wr4 n PRO 6 Cb 0.58 -2.11 0.54 0.00 -0.02 0.00 0.00 33.50 32.49 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 -3.21 0.51 -0.44 2.55 7.64 -1.26 -1.18 113.62 118.23 1wr4 n SER 7 Ca 0.08 0.73 0.07 0.00 1.01 0.00 0.00 58.87 60.75 1wr4 n SER 7 Cb 0.54 -0.78 0.03 0.00 -1.01 0.00 0.00 64.21 62.99 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 -1.30 -0.08 3.74 0.23 0.00 -1.26 -4.96 105.19 101.56 1wr4 n GLY 8 Ca -0.01 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.35 3.31 -0.06 1.61 0.52 -0.32 -2.76 118.94 119.88 1wr4 s TRP 9 Ca 0.14 0.28 0.05 0.00 0.02 0.00 0.00 56.10 56.59 1wr4 s TRP 9 Cb 0.11 -1.87 -0.01 0.00 -1.15 0.00 0.00 33.47 30.55 1wr4 s TRP 9 CO 0.24 0.51 -0.23 -2.00 0.02 0.00 0.00 176.95 175.49 1wr4 s GLU 10 N -0.76 2.48 -0.26 4.98 2.12 -0.22 -4.69 118.70 122.36 1wr4 s GLU 10 Ca 0.12 -0.82 -0.18 0.00 0.36 0.00 0.00 54.97 54.45 1wr4 s GLU 10 Cb -0.12 -2.05 -0.03 0.00 0.26 0.00 0.00 34.13 32.20 1wr4 s GLU 10 CO 0.03 0.30 0.53 -1.83 -0.54 0.00 0.00 175.26 173.74 1wr4 s GLU 11 N 0.02 4.08 0.35 4.30 -1.05 -1.26 -0.07 118.70 125.06 1wr4 s GLU 11 Ca -0.07 0.35 0.09 0.00 -0.15 0.00 0.00 54.97 55.18 1wr4 s GLU 11 Cb -0.14 -3.65 -0.05 0.00 -0.44 0.00 0.00 34.13 29.84 1wr4 s GLU 11 CO 0.05 -0.35 0.04 1.03 0.95 0.00 0.00 175.26 176.98 1wr4 s ARG 12 N 2.31 2.11 -0.08 -4.83 1.81 0.18 -4.96 118.95 115.49 1wr4 s ARG 12 Ca 0.22 -1.76 0.02 0.00 -1.72 0.00 0.00 55.73 52.49 1wr4 s ARG 12 Cb -0.16 -1.94 -0.02 0.00 -0.45 0.00 0.00 34.95 32.38 1wr4 s ARG 12 CO 0.09 0.10 -0.14 0.15 -0.68 0.00 0.00 175.30 174.82 1wr4 s LYS 13 N -3.75 2.87 0.01 3.54 -0.14 -1.26 -0.69 119.74 120.31 1wr4 s LYS 13 Ca 0.36 -0.70 -0.25 0.00 -1.36 0.00 0.00 55.97 54.02 1wr4 s LYS 13 Cb 0.01 -2.48 -0.15 0.00 -1.68 0.00 0.00 37.83 33.53 1wr4 s LYS 13 CO 0.20 0.45 1.11 0.22 -0.76 0.00 0.00 175.35 176.57 1wr4 h ASP 14 N 5.92 -0.59 0.00 2.83 3.58 -0.49 -3.48 116.42 124.19 1wr4 h ASP 14 Ca -0.37 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.02 1wr4 h ASP 14 Cb 1.18 0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.38 1wr4 h ASP 14 CO 0.52 -0.21 0.00 0.00 -2.88 0.00 0.00 179.24 176.68 1wr4 n ALA 15 N -2.61 0.00 -1.62 -0.78 0.00 -1.26 -5.00 120.51 109.24 1wr4 n ALA 15 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.98 1wr4 n ALA 15 Cb 0.31 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.81 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 0.00 2.65 0.00 0.00 4.01 -1.26 -4.78 118.16 118.77 1wr4 n LYS 16 Ca 0.00 -3.23 0.00 0.00 -0.51 0.00 0.00 58.31 54.57 1wr4 n LYS 16 Cb 0.00 -2.23 0.00 0.00 -0.51 0.00 0.00 35.03 32.29 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 -0.50 2.96 3.65 0.72 0.00 -1.26 -4.97 105.19 105.79 1wr4 n GLY 17 Ca 0.55 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.11 4.00 -0.18 1.61 3.00 -1.26 -4.87 118.95 121.14 1wr4 s ARG 18 Ca 0.00 2.19 -0.08 0.00 0.00 0.00 0.00 55.73 57.84 1wr4 s ARG 18 Cb 0.00 -4.08 -0.04 0.00 0.00 0.00 0.00 34.95 30.83 1wr4 s ARG 18 CO 0.00 -1.08 0.08 0.99 0.00 0.00 0.00 175.30 175.29 1wr4 s THR 19 N 4.76 4.93 0.26 0.02 2.01 -1.26 0.30 115.64 126.66 1wr4 s THR 19 Ca 0.80 0.02 0.09 0.00 0.31 0.00 0.00 61.69 62.90 1wr4 s THR 19 Cb -0.34 -3.22 -0.05 0.00 0.01 0.00 0.00 72.50 68.89 1wr4 s THR 19 CO 0.33 0.47 -0.13 -0.72 -0.69 0.00 0.00 174.62 173.88 1wr4 s TYR 20 N 0.28 1.98 -0.26 4.92 1.13 0.13 -4.96 117.35 120.56 1wr4 s TYR 20 Ca 0.05 -0.54 -0.06 0.00 -1.41 0.00 0.00 57.07 55.10 1wr4 s TYR 20 Cb -0.12 -0.98 -0.01 0.00 -1.10 0.00 0.00 41.96 39.75 1wr4 s TYR 20 CO -0.00 0.45 0.05 0.71 -2.51 0.00 0.00 175.55 174.24 1wr4 s TYR 21 N -2.84 3.09 -0.24 -3.49 2.02 0.16 -0.64 117.35 115.40 1wr4 s TYR 21 Ca 0.27 -0.80 -0.01 0.00 -0.37 0.00 0.00 57.07 56.15 1wr4 s TYR 21 Cb -0.00 -2.22 0.02 0.00 -0.40 0.00 0.00 41.96 39.37 1wr4 s TYR 21 CO 0.11 -0.50 -0.07 0.54 -1.57 0.00 0.00 175.55 174.05 1wr4 s VAL 22 N 1.53 2.82 -0.47 0.71 0.11 0.90 0.30 120.40 126.29 1wr4 s VAL 22 Ca 0.04 -1.01 -0.22 0.00 -2.93 0.00 0.00 61.98 57.87 1wr4 s VAL 22 Cb -0.16 -2.41 0.03 0.00 -1.53 0.00 0.00 36.38 32.31 1wr4 s VAL 22 CO 0.02 0.23 0.74 0.21 -3.33 0.00 0.00 175.10 172.96 1wr4 s ASN 23 N 1.32 6.33 -0.26 3.54 3.84 -0.09 -1.05 114.94 128.57 1wr4 s ASN 23 Ca 0.01 -0.37 -0.00 0.00 0.21 0.00 0.00 52.86 52.70 1wr4 s ASN 23 Cb -0.16 -2.36 0.20 0.00 -0.55 0.00 0.00 41.25 38.38 1wr4 s ASN 23 CO -0.05 -0.92 1.93 1.41 -2.79 0.00 0.00 177.10 176.68 1wr4 n HIS 24 N 6.60 1.33 0.00 0.43 8.25 -1.11 -0.87 115.22 129.85 1wr4 n HIS 24 Ca -0.01 -1.74 0.00 0.00 -0.26 0.00 0.00 57.72 55.72 1wr4 n HIS 24 Cb 0.47 -0.85 0.00 0.00 1.12 0.00 0.00 29.99 30.74 1wr4 n HIS 24 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1wr4 n ASN 25 N 0.41 0.12 -0.10 0.41 5.15 -1.26 -4.79 115.26 115.20 1wr4 n ASN 25 Ca 0.26 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.36 1wr4 n ASN 25 Cb 0.62 0.00 0.20 0.00 -0.53 0.00 0.00 39.78 40.07 1wr4 n ASN 25 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1wr4 n ASN 26 N -2.36 0.83 -3.22 1.20 5.15 -1.24 -4.99 115.26 110.64 1wr4 n ASN 26 Ca 0.00 -0.64 -0.15 0.00 -0.60 0.00 0.00 54.58 53.19 1wr4 n ASN 26 Cb 0.07 0.37 0.07 0.00 -0.53 0.00 0.00 39.78 39.76 1wr4 n ASN 26 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1wr4 n ARG 27 N -1.17 -3.48 -4.28 1.20 5.12 -0.05 -5.04 116.66 108.96 1wr4 n ARG 27 Ca 0.07 0.82 -0.19 0.00 -1.93 0.00 0.00 57.85 56.62 1wr4 n ARG 27 Cb 0.35 -5.66 -0.11 0.00 -1.16 0.00 0.00 32.46 25.87 1wr4 n ARG 27 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 1wr4 s THR 28 N -3.36 1.54 -0.31 0.55 -1.32 -1.06 -4.98 115.64 106.69 1wr4 s THR 28 Ca 0.30 -1.84 0.03 0.00 -1.21 0.00 0.00 61.69 58.97 1wr4 s THR 28 Cb -0.04 -1.69 0.09 0.00 -1.51 0.00 0.00 72.50 69.35 1wr4 s THR 28 CO 0.70 -0.40 0.01 0.42 -2.21 0.00 0.00 174.62 173.15 1wr4 s THR 29 N -2.19 2.08 -0.04 5.08 -4.23 -1.26 -0.91 115.64 114.16 1wr4 s THR 29 Ca 0.13 -2.03 0.07 0.00 -1.18 0.00 0.00 61.69 58.67 1wr4 s THR 29 Cb -0.05 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 71.33 1wr4 s THR 29 CO 0.04 -0.44 -0.25 -0.89 -0.54 0.00 0.00 174.62 172.54 1wr4 s THR 30 N 1.04 2.04 -0.09 3.99 2.01 0.15 -4.98 115.64 119.80 1wr4 s THR 30 Ca 0.05 -1.07 0.20 0.00 0.31 0.00 0.00 61.69 61.18 1wr4 s THR 30 Cb -0.19 -1.71 -0.30 0.00 0.01 0.00 0.00 72.50 70.31 1wr4 s THR 30 CO -0.09 0.57 0.46 0.79 -0.69 0.00 0.00 174.62 175.66 1wr4 n TRP 31 N 2.78 0.00 -1.86 4.92 7.02 -1.26 0.36 117.44 129.41 1wr4 n TRP 31 Ca -0.17 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.01 1wr4 n TRP 31 Cb 0.52 -0.42 0.04 0.00 -2.42 0.00 0.00 31.31 29.02 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 -3.33 3.86 -0.18 -0.99 -1.32 -1.26 -4.83 115.64 107.59 1wr4 s THR 32 Ca -0.06 0.61 -0.29 0.00 -1.21 0.00 0.00 61.69 60.73 1wr4 s THR 32 Cb 0.13 -3.58 -0.00 0.00 -1.51 0.00 0.00 72.50 67.53 1wr4 s THR 32 CO 0.82 -0.79 1.12 -0.13 -2.21 0.00 0.00 174.62 173.43 1wr4 s ARG 33 N -5.29 4.27 0.07 7.08 3.00 -1.26 -4.87 118.95 121.96 1wr4 s ARG 33 Ca 0.57 1.49 -0.31 0.00 0.00 0.00 0.00 55.73 57.48 1wr4 s ARG 33 Cb -0.11 -3.67 -0.08 0.00 0.00 0.00 0.00 34.95 31.09 1wr4 s ARG 33 CO 0.53 -0.61 1.53 -2.14 0.00 0.00 0.00 175.30 174.61 1wr4 s PRO 34 N 3.11 4.24 -1.39 3.54 0.02 -1.26 -4.91 135.00 138.35 1wr4 s PRO 34 Ca 0.49 2.19 -0.11 0.00 0.02 0.00 0.00 61.00 63.59 1wr4 s PRO 34 Cb -0.18 -3.48 0.09 0.00 0.02 0.00 0.00 34.50 30.94 1wr4 s PRO 34 CO 0.11 -0.63 2.18 -0.89 -0.33 0.00 0.00 177.00 177.44 1wr4 n ILE 35 N 4.49 4.06 -0.79 2.83 2.08 -1.26 -4.96 119.36 125.80 1wr4 n ILE 35 Ca 0.14 -3.64 0.00 0.00 0.56 0.00 0.00 62.75 59.81 1wr4 n ILE 35 Cb 0.41 -2.46 0.00 0.00 -0.75 0.00 0.00 39.64 36.84 1wr4 n ILE 35 CO 0.00 0.00 0.00 0.80 0.56 0.00 0.00 176.55 177.91