#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 5.61 0.63 1.61 0.01 -1.26 -4.90 113.70 115.41 1wr4 s SER 2 Ca 0.00 2.58 0.40 0.00 1.31 0.00 0.00 55.95 60.23 1wr4 s SER 2 Cb 0.00 -2.62 2.15 0.00 0.21 0.00 0.00 66.02 65.75 1wr4 s SER 2 CO 0.00 -1.32 2.29 -0.65 0.41 0.00 0.00 173.24 173.97 1wr4 h PRO 3 N 1.67 0.00 0.00 12.44 0.11 -1.97 -3.46 132.00 140.78 1wr4 h PRO 3 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1wr4 h PRO 3 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1wr4 h PRO 3 CO 0.58 0.01 0.00 0.41 -0.21 0.00 0.00 178.00 178.79 1wr4 n GLY 4 N -0.96 -0.67 1.36 -0.55 0.00 -1.26 -5.13 105.19 97.99 1wr4 n GLY 4 Ca -0.02 -1.08 0.18 0.00 0.00 0.00 0.00 46.02 45.10 1wr4 n GLY 4 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wr4 n LEU 5 N 0.00 -0.76 -4.37 0.99 4.77 -1.26 -4.86 117.00 111.51 1wr4 n LEU 5 Ca 0.00 1.71 -0.29 0.00 -0.03 0.00 0.00 56.01 57.41 1wr4 n LEU 5 Cb 0.00 -4.29 0.26 0.00 -2.33 0.00 0.00 43.42 37.06 1wr4 n LEU 5 CO 0.00 -3.22 0.31 -2.65 -1.33 0.00 0.00 177.39 170.51 1wr4 n PRO 6 N -4.15 -2.95 0.00 3.23 -0.02 -1.26 -4.85 135.00 125.00 1wr4 n PRO 6 Ca -0.02 -0.84 0.02 0.00 -2.02 0.00 0.00 63.50 60.64 1wr4 n PRO 6 Cb 0.63 -2.03 0.13 0.00 -0.02 0.00 0.00 33.50 32.21 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 -4.66 0.00 0.00 2.55 7.64 -1.26 -2.00 113.62 115.89 1wr4 n SER 7 Ca 0.04 -0.94 0.00 0.00 1.01 0.00 0.00 58.87 58.98 1wr4 n SER 7 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 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 0.05 -1.30 3.49 0.23 0.00 -1.26 -5.03 105.19 101.37 1wr4 n GLY 8 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.08 2.90 -0.17 1.61 0.52 -0.85 -2.03 118.94 120.85 1wr4 s TRP 9 Ca 0.00 -0.27 0.01 0.00 0.02 0.00 0.00 56.10 55.86 1wr4 s TRP 9 Cb 0.00 -1.81 0.02 0.00 -1.15 0.00 0.00 33.47 30.53 1wr4 s TRP 9 CO 0.00 0.06 -0.21 -2.00 0.02 0.00 0.00 176.95 174.83 1wr4 s GLU 10 N -0.15 2.99 -0.29 4.98 2.12 -0.29 -4.54 118.70 123.51 1wr4 s GLU 10 Ca 0.01 -0.83 -0.25 0.00 0.36 0.00 0.00 54.97 54.26 1wr4 s GLU 10 Cb -0.13 -2.52 0.00 0.00 0.26 0.00 0.00 34.13 31.74 1wr4 s GLU 10 CO 0.03 -0.15 0.85 -1.83 -0.54 0.00 0.00 175.26 173.62 1wr4 s GLU 11 N 1.15 4.03 0.00 4.30 -1.05 -1.26 -0.11 118.70 125.76 1wr4 s GLU 11 Ca 0.01 0.76 0.00 0.00 -0.15 0.00 0.00 54.97 55.59 1wr4 s GLU 11 Cb -0.14 -3.71 0.00 0.00 -0.44 0.00 0.00 34.13 29.84 1wr4 s GLU 11 CO -0.10 -0.68 0.00 0.54 0.95 0.00 0.00 175.26 175.97 1wr4 n ARG 12 N 6.27 1.76 -3.81 -4.83 1.74 -0.60 -5.00 116.66 112.20 1wr4 n ARG 12 Ca 0.06 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.00 1wr4 n ARG 12 Cb 0.48 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.77 1wr4 n ARG 12 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1wr4 s LYS 13 N -2.00 -0.02 0.77 5.56 0.00 -1.26 -3.45 119.74 119.34 1wr4 s LYS 13 Ca 0.00 0.12 -0.11 0.00 0.00 0.00 0.00 55.97 55.97 1wr4 s LYS 13 Cb 0.00 -0.15 0.05 0.00 0.00 0.00 0.00 37.83 37.73 1wr4 s LYS 13 CO 0.00 -0.10 1.10 0.34 0.00 0.00 0.00 175.35 176.69 1wr4 s ASP 14 N 0.64 4.82 0.58 0.03 -1.08 0.09 -4.87 116.67 116.88 1wr4 s ASP 14 Ca -0.05 1.23 0.34 0.00 -0.52 0.00 0.00 52.55 53.54 1wr4 s ASP 14 Cb -0.08 -1.98 1.76 0.00 -1.46 0.00 0.00 42.92 41.16 1wr4 s ASP 14 CO -0.02 -1.75 2.17 0.00 0.52 0.00 0.00 175.17 176.08 1wr4 h ALA 15 N -0.94 1.19 -0.54 3.66 0.00 -2.01 0.03 119.26 120.64 1wr4 h ALA 15 Ca -0.46 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1wr4 h ALA 15 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1wr4 h ALA 15 CO 0.61 0.07 0.00 0.36 0.00 0.00 0.00 179.25 180.28 1wr4 n LYS 16 N -3.43 3.29 -2.72 0.00 2.85 -1.26 -4.92 118.16 111.97 1wr4 n LYS 16 Ca -0.02 -2.38 -0.08 0.00 -1.05 0.00 0.00 58.31 54.78 1wr4 n LYS 16 Cb 0.18 -1.79 0.03 0.00 -0.65 0.00 0.00 35.03 32.80 1wr4 n LYS 16 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1wr4 n GLY 17 N 1.00 0.23 3.72 2.58 0.00 -0.00 -5.04 105.19 107.67 1wr4 n GLY 17 Ca 0.21 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.96 2.95 -0.34 1.61 1.81 -1.24 -4.86 118.95 113.92 1wr4 s ARG 18 Ca 0.10 -0.50 -0.13 0.00 -1.72 0.00 0.00 55.73 53.49 1wr4 s ARG 18 Cb -0.04 -2.78 -0.02 0.00 -0.45 0.00 0.00 34.95 31.66 1wr4 s ARG 18 CO 0.29 0.66 0.24 0.99 -0.68 0.00 0.00 175.30 176.79 1wr4 s THR 19 N -1.06 5.23 0.14 0.02 2.01 -1.26 -0.73 115.64 119.99 1wr4 s THR 19 Ca 0.19 -0.25 0.03 0.00 0.31 0.00 0.00 61.69 61.96 1wr4 s THR 19 Cb -0.12 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 1wr4 s THR 19 CO 0.09 -0.02 -0.05 -0.72 -0.69 0.00 0.00 174.62 173.23 1wr4 s TYR 20 N 1.71 1.15 -0.16 4.92 1.13 -1.22 -4.90 117.35 119.98 1wr4 s TYR 20 Ca 0.06 -0.90 0.00 0.00 -1.41 0.00 0.00 57.07 54.83 1wr4 s TYR 20 Cb -0.17 -0.64 -0.00 0.00 -1.10 0.00 0.00 41.96 40.05 1wr4 s TYR 20 CO 0.10 -0.09 -0.16 0.71 -2.51 0.00 0.00 175.55 173.61 1wr4 s TYR 21 N -3.52 2.78 -0.28 -3.49 2.02 0.13 -1.56 117.35 113.43 1wr4 s TYR 21 Ca 0.18 -1.08 0.02 0.00 -0.37 0.00 0.00 57.07 55.82 1wr4 s TYR 21 Cb 0.05 -1.89 0.06 0.00 -0.40 0.00 0.00 41.96 39.78 1wr4 s TYR 21 CO 0.00 -0.50 -0.07 0.54 -1.57 0.00 0.00 175.55 173.96 1wr4 s VAL 22 N 0.85 2.37 -0.32 0.71 0.11 0.84 -0.47 120.40 124.48 1wr4 s VAL 22 Ca -0.05 -1.66 -0.28 0.00 -2.93 0.00 0.00 61.98 57.06 1wr4 s VAL 22 Cb -0.15 -2.43 0.02 0.00 -1.53 0.00 0.00 36.38 32.29 1wr4 s VAL 22 CO -0.01 -0.11 1.04 0.21 -3.33 0.00 0.00 175.10 172.90 1wr4 s ASN 23 N 1.13 6.89 0.18 3.54 3.84 0.85 -1.14 114.94 130.22 1wr4 s ASN 23 Ca -0.06 0.98 0.24 0.00 0.21 0.00 0.00 52.86 54.23 1wr4 s ASN 23 Cb -0.20 -2.53 0.37 0.00 -0.55 0.00 0.00 41.25 38.35 1wr4 s ASN 23 CO -0.04 -0.86 1.38 0.45 -2.79 0.00 0.00 177.10 175.24 1wr4 h HIS 24 N 8.12 0.00 0.02 0.43 3.86 -1.71 0.13 115.15 126.01 1wr4 h HIS 24 Ca -0.21 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.76 1wr4 h HIS 24 Cb 1.06 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.54 1wr4 h HIS 24 CO 0.83 0.00 -1.00 -0.91 0.86 0.00 0.00 177.93 177.70 1wr4 h ASN 25 N 0.00 0.55 -0.01 2.45 4.21 -1.91 -3.31 115.58 117.56 1wr4 h ASN 25 Ca 0.00 -0.47 0.00 0.00 1.21 0.00 0.00 56.30 57.04 1wr4 h ASN 25 Cb 0.81 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.84 1wr4 h ASN 25 CO 0.00 1.28 -0.10 -3.20 -1.29 0.00 0.00 177.43 174.12 1wr4 n ASN 26 N -3.72 1.31 -3.48 5.81 2.85 -1.24 -5.01 115.26 111.77 1wr4 n ASN 26 Ca -0.07 -1.15 -0.19 0.00 -0.11 0.00 0.00 54.58 53.05 1wr4 n ASN 26 Cb 0.87 0.28 0.07 0.00 1.24 0.00 0.00 39.78 42.24 1wr4 n ASN 26 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1wr4 n ARG 27 N 0.00 -4.89 -4.82 1.20 1.74 0.28 -5.01 116.66 105.16 1wr4 n ARG 27 Ca 0.04 0.77 -0.33 0.00 -0.77 0.00 0.00 57.85 57.56 1wr4 n ARG 27 Cb 0.18 -5.57 -0.15 0.00 -1.02 0.00 0.00 32.46 25.91 1wr4 n ARG 27 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1wr4 s THR 28 N -3.46 2.97 -0.40 0.55 -4.23 -0.26 -4.95 115.64 105.86 1wr4 s THR 28 Ca 0.13 -0.69 -0.07 0.00 -1.18 0.00 0.00 61.69 59.87 1wr4 s THR 28 Cb -0.02 -2.24 0.07 0.00 1.34 0.00 0.00 72.50 71.66 1wr4 s THR 28 CO 0.76 0.53 0.21 0.42 -0.54 0.00 0.00 174.62 176.00 1wr4 s THR 29 N 0.32 3.95 0.11 3.99 -4.23 -1.26 -0.11 115.64 118.42 1wr4 s THR 29 Ca -0.11 -1.44 0.07 0.00 -1.18 0.00 0.00 61.69 59.03 1wr4 s THR 29 Cb -0.16 -3.41 -0.04 0.00 1.34 0.00 0.00 72.50 70.23 1wr4 s THR 29 CO 0.06 -0.45 -0.17 0.28 -0.54 0.00 0.00 174.62 173.81 1wr4 s THR 30 N 1.37 1.47 -2.23 3.99 -1.32 0.38 -5.00 115.64 114.31 1wr4 s THR 30 Ca 0.02 -1.62 0.22 0.00 -1.21 0.00 0.00 61.69 59.10 1wr4 s THR 30 Cb -0.22 -1.50 0.05 0.00 -1.51 0.00 0.00 72.50 69.33 1wr4 s THR 30 CO 0.01 -0.27 1.10 0.79 -2.21 0.00 0.00 174.62 174.04 1wr4 n TRP 31 N 0.79 0.00 -2.47 9.09 7.02 -1.26 0.20 117.44 130.80 1wr4 n TRP 31 Ca -0.17 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 55.90 1wr4 n TRP 31 Cb 0.55 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.41 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 -2.20 3.68 -0.39 -0.99 2.01 -1.26 -4.84 115.64 111.64 1wr4 s THR 32 Ca 0.20 1.51 -0.29 0.00 0.31 0.00 0.00 61.69 63.43 1wr4 s THR 32 Cb 0.18 -3.96 0.01 0.00 0.01 0.00 0.00 72.50 68.73 1wr4 s THR 32 CO 0.45 0.29 1.40 -0.13 -0.69 0.00 0.00 174.62 175.94 1wr4 s ARG 33 N -0.67 3.63 -0.72 4.92 3.00 -1.26 -4.81 118.95 123.04 1wr4 s ARG 33 Ca 0.49 0.99 -0.24 0.00 0.00 0.00 0.00 55.73 56.96 1wr4 s ARG 33 Cb -0.31 -4.00 0.06 0.00 0.00 0.00 0.00 34.95 30.69 1wr4 s ARG 33 CO 0.37 -1.50 1.12 -1.25 0.00 0.00 0.00 175.30 174.04 1wr4 s PRO 34 N 4.82 3.18 0.00 3.54 0.04 -1.26 -4.78 135.00 140.54 1wr4 s PRO 34 Ca 0.61 -0.64 0.18 0.00 0.04 0.00 0.00 61.00 61.18 1wr4 s PRO 34 Cb -0.14 -4.28 0.10 0.00 0.04 0.00 0.00 34.50 30.21 1wr4 s PRO 34 CO 0.31 -1.97 1.02 -0.89 0.04 0.00 0.00 177.00 175.51 1wr4 n ILE 35 N 6.13 0.00 -0.94 0.56 2.08 -1.26 -4.60 119.36 121.34 1wr4 n ILE 35 Ca 0.02 -0.45 0.00 0.00 0.56 0.00 0.00 62.75 62.88 1wr4 n ILE 35 Cb 0.47 1.32 0.00 0.00 -0.75 0.00 0.00 39.64 40.69 1wr4 n ILE 35 CO 0.00 0.00 0.00 0.80 0.56 0.00 0.00 176.55 177.91