#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 6.49 0.00 1.61 1.04 -1.26 -4.90 113.70 116.68 1wr4 s SER 2 Ca 0.00 2.37 0.00 0.00 0.48 0.00 0.00 55.95 58.80 1wr4 s SER 2 Cb 0.00 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1wr4 s SER 2 CO 0.00 -0.70 1.49 -0.81 0.98 0.00 0.00 173.24 174.21 1wr4 n PRO 3 N 0.06 0.83 0.00 4.02 -0.04 -1.26 -4.80 135.00 133.81 1wr4 n PRO 3 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1wr4 n PRO 3 Cb 0.46 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 1wr4 n PRO 3 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wr4 n GLY 4 N 1.37 1.45 3.07 0.55 0.00 -1.26 -4.79 105.19 105.57 1wr4 n GLY 4 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 2.33 1.02 0.99 1.43 -1.26 -5.10 118.68 118.09 1wr4 s LEU 5 Ca 0.00 -0.81 -0.14 0.00 -1.03 0.00 0.00 54.13 52.15 1wr4 s LEU 5 Cb 0.00 0.23 0.10 0.00 0.03 0.00 0.00 46.19 46.56 1wr4 s LEU 5 CO 0.00 -0.52 0.48 -2.65 0.23 0.00 0.00 176.35 173.89 1wr4 n PRO 6 N 0.56 -0.94 -1.55 1.29 -0.02 -1.26 -4.76 135.00 128.31 1wr4 n PRO 6 Ca -0.17 -0.24 -0.24 0.00 -2.02 0.00 0.00 63.50 60.83 1wr4 n PRO 6 Cb 0.59 -1.93 -0.05 0.00 -0.02 0.00 0.00 33.50 32.09 1wr4 n PRO 6 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1wr4 n SER 7 N -2.30 2.01 0.00 2.55 3.41 -1.26 -1.11 113.62 116.92 1wr4 n SER 7 Ca 0.05 -1.02 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 1wr4 n SER 7 Cb 0.56 -1.62 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 1wr4 n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wr4 n GLY 8 N 6.43 1.56 3.75 5.00 0.00 -1.26 -4.85 105.19 115.82 1wr4 n GLY 8 Ca 0.43 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.16 3.69 -0.06 1.61 0.52 -0.27 -0.64 118.94 122.63 1wr4 s TRP 9 Ca 0.00 1.28 0.04 0.00 0.02 0.00 0.00 56.10 57.43 1wr4 s TRP 9 Cb 0.00 -2.68 0.00 0.00 -1.15 0.00 0.00 33.47 29.64 1wr4 s TRP 9 CO 0.00 0.31 -0.17 -2.00 0.02 0.00 0.00 176.95 175.11 1wr4 s GLU 10 N -0.08 1.98 -0.30 4.98 2.12 -0.02 -4.70 118.70 122.69 1wr4 s GLU 10 Ca 0.34 -0.59 -0.22 0.00 0.36 0.00 0.00 54.97 54.85 1wr4 s GLU 10 Cb -0.19 -1.64 -0.01 0.00 0.26 0.00 0.00 34.13 32.56 1wr4 s GLU 10 CO 0.19 0.16 0.71 -1.83 -0.54 0.00 0.00 175.26 173.95 1wr4 s GLU 11 N 0.29 3.97 0.41 4.30 4.04 -1.26 -0.13 118.70 130.31 1wr4 s GLU 11 Ca -0.10 0.48 0.01 0.00 0.04 0.00 0.00 54.97 55.40 1wr4 s GLU 11 Cb -0.14 -3.71 -0.00 0.00 0.02 0.00 0.00 34.13 30.29 1wr4 s GLU 11 CO 0.04 -0.59 0.02 -2.13 -1.84 0.00 0.00 175.26 170.75 1wr4 n ARG 12 N 6.00 0.93 -3.76 -4.83 0.63 0.25 -4.97 116.66 110.91 1wr4 n ARG 12 Ca 0.01 -3.04 -0.15 0.00 -0.92 0.00 0.00 57.85 53.75 1wr4 n ARG 12 Cb 0.48 0.94 -0.16 0.00 0.45 0.00 0.00 32.46 34.17 1wr4 n ARG 12 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1wr4 s LYS 13 N -3.48 -0.03 0.89 -0.14 1.02 -1.26 -1.02 119.74 115.72 1wr4 s LYS 13 Ca 0.03 0.23 -0.13 0.00 0.02 0.00 0.00 55.97 56.11 1wr4 s LYS 13 Cb 0.00 -0.26 0.16 0.00 -0.52 0.00 0.00 37.83 37.21 1wr4 s LYS 13 CO 0.02 -0.18 1.24 0.34 -0.92 0.00 0.00 175.35 175.85 1wr4 s ASP 14 N 1.17 3.62 0.64 2.83 2.15 -0.82 -4.87 116.67 121.38 1wr4 s ASP 14 Ca -0.08 0.30 0.42 0.00 0.43 0.00 0.00 52.55 53.62 1wr4 s ASP 14 Cb -0.13 -0.50 2.20 0.00 -0.30 0.00 0.00 42.92 44.19 1wr4 s ASP 14 CO -0.03 -2.41 2.28 0.00 -0.17 0.00 0.00 175.17 174.84 1wr4 h ALA 15 N -1.34 1.00 0.00 3.66 0.00 -2.02 0.12 119.26 120.68 1wr4 h ALA 15 Ca -0.44 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 1wr4 h ALA 15 Cb 1.26 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1wr4 h ALA 15 CO 0.45 0.00 -0.48 0.87 0.00 0.00 0.00 179.25 180.08 1wr4 h LYS 16 N 0.00 0.00 0.00 0.00 1.57 -2.05 -3.47 116.57 112.62 1wr4 h LYS 16 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wr4 h LYS 16 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1wr4 h LYS 16 CO 0.00 0.48 0.00 0.41 -0.57 0.00 0.00 179.45 179.77 1wr4 n GLY 17 N 0.18 2.30 3.77 3.86 0.00 0.43 -5.09 105.19 110.65 1wr4 n GLY 17 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.27 3.99 0.12 1.61 0.52 -1.26 -4.65 118.95 119.01 1wr4 s ARG 18 Ca 0.00 1.87 -0.24 0.00 -0.52 0.00 0.00 55.73 56.83 1wr4 s ARG 18 Cb 0.00 -2.64 -0.07 0.00 0.52 0.00 0.00 34.95 32.76 1wr4 s ARG 18 CO 0.00 -0.38 0.74 0.99 0.02 0.00 0.00 175.30 176.67 1wr4 s THR 19 N -1.42 4.53 0.10 0.02 2.01 -1.26 -1.94 115.64 117.68 1wr4 s THR 19 Ca 0.58 1.60 -0.02 0.00 0.31 0.00 0.00 61.69 64.16 1wr4 s THR 19 Cb -0.31 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.07 1wr4 s THR 19 CO 0.39 0.49 0.05 -0.72 -0.69 0.00 0.00 174.62 174.14 1wr4 s TYR 20 N -0.84 0.63 -0.22 4.92 1.13 -0.19 -4.97 117.35 117.81 1wr4 s TYR 20 Ca 0.35 -1.08 -0.04 0.00 -1.41 0.00 0.00 57.07 54.89 1wr4 s TYR 20 Cb -0.22 -0.38 -0.01 0.00 -1.10 0.00 0.00 41.96 40.25 1wr4 s TYR 20 CO 0.24 -0.48 -0.04 0.71 -2.51 0.00 0.00 175.55 173.47 1wr4 s TYR 21 N -3.98 2.96 -0.29 -3.49 2.02 -0.11 -0.59 117.35 113.87 1wr4 s TYR 21 Ca 0.15 -0.93 -0.06 0.00 -0.37 0.00 0.00 57.07 55.86 1wr4 s TYR 21 Cb 0.07 -2.10 0.01 0.00 -0.40 0.00 0.00 41.96 39.55 1wr4 s TYR 21 CO -0.04 -0.54 0.07 0.54 -1.57 0.00 0.00 175.55 174.01 1wr4 s VAL 22 N 1.45 3.82 -0.38 0.71 0.11 0.81 -0.32 120.40 126.61 1wr4 s VAL 22 Ca 0.05 -0.77 -0.22 0.00 -2.93 0.00 0.00 61.98 58.11 1wr4 s VAL 22 Cb -0.14 -2.99 0.01 0.00 -1.53 0.00 0.00 36.38 31.73 1wr4 s VAL 22 CO -0.03 0.07 0.73 0.21 -3.33 0.00 0.00 175.10 172.75 1wr4 s ASN 23 N 1.47 6.49 0.26 3.54 3.84 0.17 -0.84 114.94 129.86 1wr4 s ASN 23 Ca 0.02 0.20 0.25 0.00 0.21 0.00 0.00 52.86 53.54 1wr4 s ASN 23 Cb -0.17 -2.37 0.65 0.00 -0.55 0.00 0.00 41.25 38.81 1wr4 s ASN 23 CO 0.02 -0.72 1.69 0.45 -2.79 0.00 0.00 177.10 175.75 1wr4 h HIS 24 N 8.56 0.00 0.05 0.43 3.86 -1.17 0.20 115.15 127.09 1wr4 h HIS 24 Ca -0.25 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.67 1wr4 h HIS 24 Cb 1.10 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.54 1wr4 h HIS 24 CO 0.78 0.00 -1.52 -0.97 0.86 0.00 0.00 177.93 177.08 1wr4 h ASN 25 N 0.00 0.18 0.00 2.45 -0.73 -1.89 -3.35 115.58 112.24 1wr4 h ASN 25 Ca 0.00 -0.28 0.00 0.00 1.87 0.00 0.00 56.30 57.89 1wr4 h ASN 25 Cb 0.81 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.34 1wr4 h ASN 25 CO 0.00 1.24 -0.89 -3.20 -0.37 0.00 0.00 177.43 174.20 1wr4 n ASN 26 N -3.29 0.82 -2.55 1.15 5.15 -1.21 -4.99 115.26 110.33 1wr4 n ASN 26 Ca -0.14 -0.81 -0.17 0.00 -0.60 0.00 0.00 54.58 52.86 1wr4 n ASN 26 Cb 1.03 1.08 0.04 0.00 -0.53 0.00 0.00 39.78 41.40 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 -1.47 -4.77 -5.02 1.20 0.63 0.64 -5.02 116.66 102.85 1wr4 n ARG 27 Ca 0.03 0.65 -0.28 0.00 -0.92 0.00 0.00 57.85 57.33 1wr4 n ARG 27 Cb 0.28 -5.05 -0.15 0.00 0.45 0.00 0.00 32.46 27.99 1wr4 n ARG 27 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1wr4 s THR 28 N -3.12 1.80 -0.53 5.15 2.01 -0.80 -4.97 115.64 115.18 1wr4 s THR 28 Ca 0.33 -1.05 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 1wr4 s THR 28 Cb -0.14 -1.51 0.14 0.00 0.01 0.00 0.00 72.50 70.99 1wr4 s THR 28 CO 0.41 0.44 0.31 -0.89 -0.69 0.00 0.00 174.62 174.20 1wr4 s THR 29 N -0.60 3.24 0.04 -0.82 2.01 -1.26 0.42 115.64 118.67 1wr4 s THR 29 Ca 0.09 -2.77 -0.05 0.00 0.31 0.00 0.00 61.69 59.26 1wr4 s THR 29 Cb -0.09 -3.18 -0.05 0.00 0.01 0.00 0.00 72.50 69.19 1wr4 s THR 29 CO -0.00 -0.79 0.28 0.28 -0.69 0.00 0.00 174.62 173.69 1wr4 s THR 30 N 0.25 5.29 -1.41 -0.82 -1.32 0.56 -4.94 115.64 113.26 1wr4 s THR 30 Ca 0.14 0.05 0.15 0.00 -1.21 0.00 0.00 61.69 60.82 1wr4 s THR 30 Cb -0.22 -3.59 0.38 0.00 -1.51 0.00 0.00 72.50 67.57 1wr4 s THR 30 CO -0.03 0.27 1.30 0.79 -2.21 0.00 0.00 174.62 174.74 1wr4 n TRP 31 N 0.79 0.55 -4.17 9.09 7.02 -1.26 -0.94 117.44 128.52 1wr4 n TRP 31 Ca -0.09 -0.42 -0.23 0.00 -1.02 0.00 0.00 57.50 55.75 1wr4 n TRP 31 Cb 0.52 -0.01 -0.06 0.00 -2.42 0.00 0.00 31.31 29.34 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 -1.05 3.63 -0.15 -0.99 -1.32 -1.26 -4.95 115.64 109.55 1wr4 s THR 32 Ca 0.30 -1.69 -0.29 0.00 -1.21 0.00 0.00 61.69 58.80 1wr4 s THR 32 Cb 0.16 -3.05 -0.01 0.00 -1.51 0.00 0.00 72.50 68.09 1wr4 s THR 32 CO 0.22 -0.31 1.16 -0.13 -2.21 0.00 0.00 174.62 173.35 1wr4 s ARG 33 N -3.78 4.29 1.12 7.08 3.00 -1.26 -4.78 118.95 124.61 1wr4 s ARG 33 Ca 0.34 1.56 -0.13 0.00 0.00 0.00 0.00 55.73 57.49 1wr4 s ARG 33 Cb -0.06 -3.66 0.25 0.00 0.00 0.00 0.00 34.95 31.48 1wr4 s ARG 33 CO 0.22 -0.59 1.05 -2.14 0.00 0.00 0.00 175.30 173.85 1wr4 s PRO 34 N 2.99 -0.55 -1.48 3.54 0.02 -1.26 -4.86 135.00 133.39 1wr4 s PRO 34 Ca 0.51 0.58 -0.13 0.00 0.02 0.00 0.00 61.00 61.99 1wr4 s PRO 34 Cb -0.20 -1.62 0.03 0.00 0.02 0.00 0.00 34.50 32.73 1wr4 s PRO 34 CO 0.14 -3.41 2.34 0.44 -0.33 0.00 0.00 177.00 176.19 1wr4 n ILE 35 N -4.66 3.71 1.46 2.83 -6.64 -1.26 -5.10 119.36 109.70 1wr4 n ILE 35 Ca 0.04 -3.05 0.14 0.00 -1.77 0.00 0.00 62.75 58.11 1wr4 n ILE 35 Cb 0.56 -2.58 0.49 0.00 -1.44 0.00 0.00 39.64 36.67 1wr4 n ILE 35 CO 0.00 0.00 0.00 0.80 -1.77 0.00 0.00 176.55 175.58