#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr4 h SER 2 N 0.00 -0.09 0.00 1.61 0.02 -1.95 -3.19 113.55 109.95 1wr4 h SER 2 Ca 0.00 0.03 -0.53 0.00 -0.84 0.00 0.00 61.79 60.45 1wr4 h SER 2 Cb 0.00 0.06 0.02 0.00 0.14 0.00 0.00 62.40 62.62 1wr4 h SER 2 CO 0.00 -0.03 2.96 -2.65 -1.14 0.00 0.00 176.83 175.97 1wr4 n PRO 3 N -5.14 2.51 0.00 3.45 -0.02 -1.26 -4.42 135.00 130.12 1wr4 n PRO 3 Ca -0.05 -1.83 0.00 0.00 -2.02 0.00 0.00 63.50 59.60 1wr4 n PRO 3 Cb 0.07 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 30.85 1wr4 n PRO 3 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wr4 n GLY 4 N 3.86 -0.51 3.75 -1.23 0.00 -1.21 -5.15 105.19 104.72 1wr4 n GLY 4 Ca 0.55 0.76 -0.42 0.00 0.00 0.00 0.00 46.02 46.92 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 4.44 -4.39 0.99 4.77 -1.26 -4.48 117.00 117.06 1wr4 n LEU 5 Ca 0.00 1.20 -0.31 0.00 -0.03 0.00 0.00 56.01 56.87 1wr4 n LEU 5 Cb 0.00 -1.59 0.20 0.00 -2.33 0.00 0.00 43.42 39.70 1wr4 n LEU 5 CO 0.00 0.05 -0.01 -2.65 -1.33 0.00 0.00 177.39 173.46 1wr4 n PRO 6 N 1.05 -1.73 -1.74 3.23 -0.02 -1.26 -4.80 135.00 129.74 1wr4 n PRO 6 Ca 0.04 -0.48 -0.29 0.00 -2.02 0.00 0.00 63.50 60.76 1wr4 n PRO 6 Cb 0.38 -1.94 -0.04 0.00 -0.02 0.00 0.00 33.50 31.87 1wr4 n PRO 6 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1wr4 s SER 7 N -2.13 4.56 0.00 2.55 1.04 -1.26 -1.55 113.70 116.91 1wr4 s SER 7 Ca 0.62 0.37 0.00 0.00 0.48 0.00 0.00 55.95 57.42 1wr4 s SER 7 Cb -0.19 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.40 1wr4 s SER 7 CO 0.65 -3.04 0.00 0.61 0.98 0.00 0.00 173.24 172.45 1wr4 n GLY 8 N 6.30 1.30 3.71 7.32 0.00 -1.26 -4.84 105.19 117.71 1wr4 n GLY 8 Ca 0.37 0.00 -0.40 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 -0.48 3.58 -0.09 1.61 0.52 -0.59 -0.92 118.94 122.57 1wr4 s TRP 9 Ca 0.00 1.28 0.04 0.00 0.02 0.00 0.00 56.10 57.44 1wr4 s TRP 9 Cb 0.00 -2.83 0.00 0.00 -1.15 0.00 0.00 33.47 29.49 1wr4 s TRP 9 CO 0.00 0.07 -0.20 -2.00 0.02 0.00 0.00 176.95 174.84 1wr4 s GLU 10 N 0.84 2.59 -0.26 4.98 2.12 -0.03 -4.73 118.70 124.22 1wr4 s GLU 10 Ca 0.39 -0.74 -0.22 0.00 0.36 0.00 0.00 54.97 54.75 1wr4 s GLU 10 Cb -0.18 -2.01 -0.01 0.00 0.26 0.00 0.00 34.13 32.19 1wr4 s GLU 10 CO 0.19 0.15 0.73 -1.83 -0.54 0.00 0.00 175.26 173.96 1wr4 s GLU 11 N 0.40 4.12 0.44 4.30 -1.05 -1.26 0.33 118.70 125.98 1wr4 s GLU 11 Ca -0.17 0.72 0.02 0.00 -0.15 0.00 0.00 54.97 55.40 1wr4 s GLU 11 Cb -0.17 -3.66 -0.01 0.00 -0.44 0.00 0.00 34.13 29.85 1wr4 s GLU 11 CO 0.07 -0.49 0.08 0.54 0.95 0.00 0.00 175.26 176.41 1wr4 n ARG 12 N 5.90 0.68 -3.97 -4.83 1.74 0.94 -4.96 116.66 112.15 1wr4 n ARG 12 Ca 0.03 -3.48 -0.09 0.00 -0.77 0.00 0.00 57.85 53.53 1wr4 n ARG 12 Cb 0.48 1.47 -0.11 0.00 -1.02 0.00 0.00 32.46 33.28 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 -3.64 0.36 0.41 5.56 1.02 -1.26 -0.48 119.74 121.71 1wr4 s LYS 13 Ca 0.12 -0.62 0.00 0.00 0.02 0.00 0.00 55.97 55.49 1wr4 s LYS 13 Cb 0.01 0.13 0.08 0.00 -0.52 0.00 0.00 37.83 37.53 1wr4 s LYS 13 CO 0.08 -0.06 0.56 -0.40 -0.92 0.00 0.00 175.35 174.60 1wr4 n ASP 14 N 1.47 0.80 0.27 2.83 5.75 -0.93 -4.89 116.55 121.85 1wr4 n ASP 14 Ca -0.23 -1.66 0.12 0.00 -0.01 0.00 0.00 54.79 53.01 1wr4 n ASP 14 Cb 0.55 -0.36 0.75 0.00 -1.03 0.00 0.00 41.12 41.04 1wr4 n ASP 14 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wr4 h ALA 15 N -0.47 1.48 -0.00 2.12 0.00 -2.02 0.41 119.26 120.77 1wr4 h ALA 15 Ca -0.18 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1wr4 h ALA 15 Cb 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1wr4 h ALA 15 CO 0.20 0.10 -0.34 1.63 0.00 0.00 0.00 179.25 180.85 1wr4 n LYS 16 N -3.88 0.18 -0.53 0.00 5.02 -1.26 -4.93 118.16 112.76 1wr4 n LYS 16 Ca -0.02 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1wr4 n LYS 16 Cb 0.18 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 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 1.46 0.75 3.67 0.72 0.00 0.13 -5.04 105.19 106.88 1wr4 n GLY 17 Ca 0.08 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.11 4.34 -0.06 1.61 1.81 -1.26 -4.75 118.95 119.54 1wr4 s ARG 18 Ca 0.00 1.26 -0.30 0.00 -1.72 0.00 0.00 55.73 54.98 1wr4 s ARG 18 Cb 0.00 -3.58 -0.04 0.00 -0.45 0.00 0.00 34.95 30.88 1wr4 s ARG 18 CO 0.00 -0.41 1.34 0.99 -0.68 0.00 0.00 175.30 176.53 1wr4 s THR 19 N 2.40 3.99 0.12 0.02 2.01 -1.26 -2.18 115.64 120.74 1wr4 s THR 19 Ca 0.44 1.30 0.06 0.00 0.31 0.00 0.00 61.69 63.80 1wr4 s THR 19 Cb -0.17 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1wr4 s THR 19 CO 0.13 -0.04 -0.13 -0.72 -0.69 0.00 0.00 174.62 173.17 1wr4 s TYR 20 N 2.75 1.36 -0.28 4.92 1.13 0.37 -4.87 117.35 122.73 1wr4 s TYR 20 Ca 0.60 -0.58 -0.08 0.00 -1.41 0.00 0.00 57.07 55.61 1wr4 s TYR 20 Cb -0.27 -0.71 -0.02 0.00 -1.10 0.00 0.00 41.96 39.86 1wr4 s TYR 20 CO 0.23 0.13 0.10 0.71 -2.51 0.00 0.00 175.55 174.20 1wr4 s TYR 21 N -2.24 3.13 -0.37 -3.49 2.02 0.15 -0.04 117.35 116.51 1wr4 s TYR 21 Ca 0.09 -0.56 -0.06 0.00 -0.37 0.00 0.00 57.07 56.17 1wr4 s TYR 21 Cb -0.04 -2.28 0.06 0.00 -0.40 0.00 0.00 41.96 39.30 1wr4 s TYR 21 CO 0.03 -0.43 0.15 0.54 -1.57 0.00 0.00 175.55 174.27 1wr4 s VAL 22 N 1.60 3.73 -0.41 0.71 0.11 0.15 -0.50 120.40 125.79 1wr4 s VAL 22 Ca 0.05 -1.37 -0.25 0.00 -2.93 0.00 0.00 61.98 57.47 1wr4 s VAL 22 Cb -0.16 -3.23 0.02 0.00 -1.53 0.00 0.00 36.38 31.48 1wr4 s VAL 22 CO 0.04 -0.34 0.91 0.21 -3.33 0.00 0.00 175.10 172.59 1wr4 s ASN 23 N 1.65 6.59 0.23 3.54 2.47 0.30 -0.86 114.94 128.85 1wr4 s ASN 23 Ca 0.01 0.36 0.24 0.00 0.42 0.00 0.00 52.86 53.89 1wr4 s ASN 23 Cb -0.21 -2.45 0.47 0.00 -1.45 0.00 0.00 41.25 37.61 1wr4 s ASN 23 CO 0.01 -0.92 1.51 0.45 -3.72 0.00 0.00 177.10 174.43 1wr4 h HIS 24 N 8.73 0.00 0.14 0.43 3.86 -1.30 -0.28 115.15 126.72 1wr4 h HIS 24 Ca -0.24 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.97 1wr4 h HIS 24 Cb 1.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.55 1wr4 h HIS 24 CO 0.84 0.00 -0.07 -0.97 0.86 0.00 0.00 177.93 178.60 1wr4 h ASN 25 N 0.00 -0.16 -0.58 2.45 -0.73 -1.89 -3.34 115.58 111.34 1wr4 h ASN 25 Ca 0.00 -0.39 -0.27 0.00 1.87 0.00 0.00 56.30 57.51 1wr4 h ASN 25 Cb 0.82 0.04 -0.16 0.00 0.27 0.00 0.00 38.32 39.30 1wr4 h ASN 25 CO 0.00 0.42 0.19 -3.20 -0.37 0.00 0.00 177.43 174.47 1wr4 n ASN 26 N -4.89 3.27 -4.08 1.15 5.15 -1.25 -4.96 115.26 109.65 1wr4 n ASN 26 Ca -0.08 -3.59 -0.30 0.00 -0.60 0.00 0.00 54.58 50.02 1wr4 n ASN 26 Cb 0.27 -0.70 -0.07 0.00 -0.53 0.00 0.00 39.78 38.75 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 -0.96 -0.84 -5.12 1.20 1.85 -0.74 -4.93 116.66 107.13 1wr4 n ARG 27 Ca 0.41 0.06 -0.30 0.00 -1.00 0.00 0.00 57.85 57.02 1wr4 n ARG 27 Cb 1.25 -2.93 -0.17 0.00 -1.05 0.00 0.00 32.46 29.57 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 -4.13 1.89 -0.31 8.89 -4.23 -0.19 -4.97 115.64 112.59 1wr4 s THR 28 Ca 0.07 -0.94 0.03 0.00 -1.18 0.00 0.00 61.69 59.67 1wr4 s THR 28 Cb -0.04 -1.62 0.08 0.00 1.34 0.00 0.00 72.50 72.26 1wr4 s THR 28 CO 0.87 0.52 -0.01 -0.89 -0.54 0.00 0.00 174.62 174.57 1wr4 s THR 29 N 0.18 2.29 0.07 3.99 2.01 -1.26 0.11 115.64 123.03 1wr4 s THR 29 Ca -0.12 -2.02 0.07 0.00 0.31 0.00 0.00 61.69 59.94 1wr4 s THR 29 Cb -0.16 -2.54 -0.03 0.00 0.01 0.00 0.00 72.50 69.78 1wr4 s THR 29 CO 0.06 -0.35 -0.19 0.28 -0.69 0.00 0.00 174.62 173.72 1wr4 s THR 30 N 1.00 1.57 -1.88 -0.82 -1.32 0.34 -4.98 115.64 109.55 1wr4 s THR 30 Ca 0.02 -1.36 0.22 0.00 -1.21 0.00 0.00 61.69 59.37 1wr4 s THR 30 Cb -0.20 -1.41 -0.04 0.00 -1.51 0.00 0.00 72.50 69.34 1wr4 s THR 30 CO -0.06 0.01 1.07 0.79 -2.21 0.00 0.00 174.62 174.21 1wr4 n TRP 31 N 1.42 0.00 -3.07 9.09 7.02 -1.26 0.34 117.44 130.98 1wr4 n TRP 31 Ca -0.19 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.08 1wr4 n TRP 31 Cb 0.54 -0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.44 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 -2.56 3.76 0.09 -0.99 -1.32 -1.26 -4.85 115.64 108.52 1wr4 s THR 32 Ca 0.17 -0.69 -0.31 0.00 -1.21 0.00 0.00 61.69 59.65 1wr4 s THR 32 Cb 0.18 -3.36 -0.07 0.00 -1.51 0.00 0.00 72.50 67.74 1wr4 s THR 32 CO 0.62 -0.22 1.29 -0.13 -2.21 0.00 0.00 174.62 173.97 1wr4 s ARG 33 N -4.47 4.38 0.57 7.08 3.00 -1.26 -4.79 118.95 123.46 1wr4 s ARG 33 Ca 0.49 1.92 -0.19 0.00 0.00 0.00 0.00 55.73 57.96 1wr4 s ARG 33 Cb -0.10 -3.29 -0.08 0.00 0.00 0.00 0.00 34.95 31.48 1wr4 s ARG 33 CO 0.36 -0.34 0.68 -2.30 0.00 0.00 0.00 175.30 173.70 1wr4 n PRO 34 N 3.88 0.66 -2.02 3.54 -0.02 -1.26 -4.83 135.00 134.95 1wr4 n PRO 34 Ca 0.10 0.26 -0.42 0.00 -2.02 0.00 0.00 63.50 61.41 1wr4 n PRO 34 Cb 0.44 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1wr4 n PRO 34 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1wr4 n ILE 35 N -1.62 3.72 -0.62 4.25 2.08 -1.26 -5.01 119.36 120.90 1wr4 n ILE 35 Ca 0.12 -3.50 0.00 0.00 0.56 0.00 0.00 62.75 59.93 1wr4 n ILE 35 Cb 0.47 -2.52 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