#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr3 n SER 2 N 0.00 3.68 -4.48 1.61 7.64 -1.26 -4.96 113.62 115.86 1wr3 n SER 2 Ca 0.00 1.11 -0.43 0.00 1.01 0.00 0.00 58.87 60.56 1wr3 n SER 2 Cb 0.00 -1.55 -0.05 0.00 -1.01 0.00 0.00 64.21 61.60 1wr3 n SER 2 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1wr3 s PRO 3 N 0.19 3.23 0.00 1.43 0.04 -1.26 -4.92 135.00 133.72 1wr3 s PRO 3 Ca 0.70 -0.57 0.28 0.00 0.04 0.00 0.00 61.00 61.45 1wr3 s PRO 3 Cb -0.54 -4.08 1.65 0.00 0.04 0.00 0.00 34.50 31.57 1wr3 s PRO 3 CO 0.42 -1.39 2.06 -0.35 0.04 0.00 0.00 177.00 177.78 1wr3 n PRO 4 N 6.92 1.01 -4.89 0.56 -0.04 -1.26 -4.70 135.00 132.60 1wr3 n PRO 4 Ca -0.02 -0.02 -0.33 0.00 -0.04 0.00 0.00 63.50 63.10 1wr3 n PRO 4 Cb 0.46 -1.43 -0.16 0.00 -0.04 0.00 0.00 33.50 32.33 1wr3 n PRO 4 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1wr3 s LEU 5 N -1.87 2.43 0.81 1.53 2.96 -1.26 -5.10 118.68 118.18 1wr3 s LEU 5 Ca 0.42 -0.44 -0.10 0.00 -0.22 0.00 0.00 54.13 53.78 1wr3 s LEU 5 Cb 0.19 -1.53 0.08 0.00 0.50 0.00 0.00 46.19 45.43 1wr3 s LEU 5 CO 0.32 0.15 1.10 -2.84 -1.32 0.00 0.00 176.35 173.76 1wr3 s PRO 6 N 0.44 1.95 0.11 0.98 0.02 -1.26 -4.93 135.00 132.30 1wr3 s PRO 6 Ca -0.13 1.22 -0.31 0.00 0.02 0.00 0.00 61.00 61.80 1wr3 s PRO 6 Cb -0.17 -1.86 -0.09 0.00 0.02 0.00 0.00 34.50 32.41 1wr3 s PRO 6 CO 0.06 -1.88 1.65 -2.14 -0.33 0.00 0.00 177.00 174.35 1wr3 s PRO 7 N -4.86 4.20 0.00 5.54 0.02 -1.26 -2.11 135.00 136.53 1wr3 s PRO 7 Ca 0.62 2.37 0.00 0.00 0.02 0.00 0.00 61.00 64.02 1wr3 s PRO 7 Cb -0.18 -3.45 0.00 0.00 0.02 0.00 0.00 34.50 30.89 1wr3 s PRO 7 CO 0.56 -0.71 0.00 0.41 -0.33 0.00 0.00 177.00 176.94 1wr3 n GLY 8 N 3.94 2.24 3.67 0.52 0.00 -1.26 -4.95 105.19 109.35 1wr3 n GLY 8 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1wr3 n GLY 8 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wr3 s TRP 9 N -2.43 3.40 -0.13 1.61 0.52 -0.90 0.76 118.94 121.77 1wr3 s TRP 9 Ca 0.00 0.99 -0.02 0.00 0.02 0.00 0.00 56.10 57.09 1wr3 s TRP 9 Cb 0.00 -2.81 -0.02 0.00 -1.15 0.00 0.00 33.47 29.49 1wr3 s TRP 9 CO 0.00 -0.14 -0.08 -2.00 0.02 0.00 0.00 176.95 174.75 1wr3 s GLU 10 N 1.77 3.45 -0.35 4.98 2.12 0.14 -4.88 118.70 125.93 1wr3 s GLU 10 Ca 0.30 -0.60 -0.25 0.00 0.36 0.00 0.00 54.97 54.79 1wr3 s GLU 10 Cb -0.16 -2.75 0.01 0.00 0.26 0.00 0.00 34.13 31.49 1wr3 s GLU 10 CO 0.11 0.27 0.86 -2.00 -0.54 0.00 0.00 175.26 173.96 1wr3 s GLU 11 N 0.25 3.86 -0.03 4.30 2.12 -1.26 0.11 118.70 128.05 1wr3 s GLU 11 Ca -0.06 0.53 0.02 0.00 0.36 0.00 0.00 54.97 55.82 1wr3 s GLU 11 Cb -0.15 -3.78 0.00 0.00 0.26 0.00 0.00 34.13 30.47 1wr3 s GLU 11 CO 0.04 -0.85 -0.09 0.15 -0.54 0.00 0.00 175.26 173.98 1wr3 s LYS 12 N 3.24 0.95 -0.07 4.30 1.02 0.17 -4.99 119.74 124.35 1wr3 s LYS 12 Ca 0.35 -0.30 -0.20 0.00 0.02 0.00 0.00 55.97 55.84 1wr3 s LYS 12 Cb -0.13 -0.89 -0.04 0.00 -0.52 0.00 0.00 37.83 36.25 1wr3 s LYS 12 CO 0.16 0.11 0.57 0.08 -0.92 0.00 0.00 175.35 175.35 1wr3 s VAL 13 N 0.21 5.08 0.01 3.17 1.01 -1.26 -0.24 120.40 128.37 1wr3 s VAL 13 Ca -0.03 1.16 -0.05 0.00 0.00 0.00 0.00 61.98 63.06 1wr3 s VAL 13 Cb -0.09 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 1wr3 s VAL 13 CO 0.00 0.33 1.04 -2.24 0.00 0.00 0.00 175.10 174.23 1wr3 h ASP 14 N 6.43 -0.15 0.00 3.32 2.03 -1.92 -3.47 116.42 122.66 1wr3 h ASP 14 Ca -0.42 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 1wr3 h ASP 14 Cb 1.19 0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 1wr3 h ASP 14 CO 0.74 -0.10 0.00 0.59 -1.03 0.00 0.00 179.24 179.43 1wr3 n ASN 15 N -2.49 0.00 -0.09 4.15 3.02 -1.26 -4.96 115.26 113.63 1wr3 n ASN 15 Ca -0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.42 1wr3 n ASN 15 Cb 0.07 0.35 -0.15 0.00 -0.61 0.00 0.00 39.78 39.44 1wr3 n ASN 15 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wr3 n LEU 16 N -2.32 0.57 0.00 3.41 -0.00 -1.26 -4.98 117.00 112.42 1wr3 n LEU 16 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 56.01 56.05 1wr3 n LEU 16 Cb 0.00 0.23 0.00 0.00 -0.00 0.00 0.00 43.42 43.65 1wr3 n LEU 16 CO 0.00 0.55 0.00 0.61 -0.00 0.00 0.00 177.39 178.55 1wr3 n GLY 17 N 1.80 0.00 3.39 1.47 0.00 -1.26 -5.07 105.19 105.52 1wr3 n GLY 17 Ca -0.33 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.24 1wr3 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wr3 s ARG 18 N 0.00 3.91 -0.25 1.61 0.52 -1.26 -4.94 118.95 118.54 1wr3 s ARG 18 Ca 0.00 -2.59 -0.28 0.00 -0.52 0.00 0.00 55.73 52.34 1wr3 s ARG 18 Cb 0.00 -4.73 -0.04 0.00 0.52 0.00 0.00 34.95 30.70 1wr3 s ARG 18 CO 0.00 -1.49 2.13 0.99 0.02 0.00 0.00 175.30 176.95 1wr3 s THR 19 N 0.57 3.11 0.43 0.02 2.01 -1.26 -3.40 115.64 117.12 1wr3 s THR 19 Ca 0.31 0.11 0.07 0.00 0.31 0.00 0.00 61.69 62.49 1wr3 s THR 19 Cb -0.07 -3.15 -0.05 0.00 0.01 0.00 0.00 72.50 69.24 1wr3 s THR 19 CO -0.06 -0.10 0.14 -0.72 -0.69 0.00 0.00 174.62 173.19 1wr3 s TYR 20 N 8.09 2.46 -0.18 4.92 1.13 0.67 -4.79 117.35 129.65 1wr3 s TYR 20 Ca 0.96 -0.66 0.01 0.00 -1.41 0.00 0.00 57.07 55.97 1wr3 s TYR 20 Cb -0.30 -1.89 0.02 0.00 -1.10 0.00 0.00 41.96 38.69 1wr3 s TYR 20 CO 0.35 0.20 -0.18 0.71 -2.51 0.00 0.00 175.55 174.12 1wr3 s TYR 21 N -2.66 2.66 -0.27 -3.49 2.02 -0.74 -0.65 117.35 114.22 1wr3 s TYR 21 Ca 0.36 -1.60 -0.06 0.00 -0.37 0.00 0.00 57.07 55.41 1wr3 s TYR 21 Cb 0.05 -1.84 0.00 0.00 -0.40 0.00 0.00 41.96 39.77 1wr3 s TYR 21 CO 0.20 -0.78 0.04 0.54 -1.57 0.00 0.00 175.55 173.97 1wr3 s VAL 22 N 1.33 3.75 0.31 0.71 0.11 0.12 -3.04 120.40 123.67 1wr3 s VAL 22 Ca 0.04 -0.65 -0.29 0.00 -2.93 0.00 0.00 61.98 58.15 1wr3 s VAL 22 Cb -0.13 -2.87 -0.10 0.00 -1.53 0.00 0.00 36.38 31.74 1wr3 s VAL 22 CO -0.12 0.18 1.24 0.21 -3.33 0.00 0.00 175.10 173.29 1wr3 s ASN 23 N 1.48 6.93 0.09 3.54 3.84 -0.98 0.24 114.94 130.08 1wr3 s ASN 23 Ca 0.03 2.54 0.23 0.00 0.21 0.00 0.00 52.86 55.87 1wr3 s ASN 23 Cb -0.16 -2.64 0.02 0.00 -0.55 0.00 0.00 41.25 37.92 1wr3 s ASN 23 CO 0.01 -0.41 1.00 1.41 -2.79 0.00 0.00 177.10 176.31 1wr3 n HIS 24 N 1.02 0.46 -0.00 0.43 8.25 0.23 -1.64 115.22 123.96 1wr3 n HIS 24 Ca -0.00 0.13 -0.01 0.00 -0.26 0.00 0.00 57.72 57.58 1wr3 n HIS 24 Cb 0.43 -0.61 -0.01 0.00 1.12 0.00 0.00 29.99 30.92 1wr3 n HIS 24 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 1wr3 h ASN 25 N 0.00 -0.07 0.94 0.41 2.35 -1.92 -3.37 115.58 113.92 1wr3 h ASN 25 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1wr3 h ASN 25 Cb 0.84 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.23 1wr3 h ASN 25 CO 0.00 0.32 -0.84 -1.13 -1.65 0.00 0.00 177.43 174.12 1wr3 h ASN 26 N -0.81 0.00 -5.56 5.81 -0.73 -1.95 -3.48 115.58 108.85 1wr3 h ASN 26 Ca -0.01 -0.10 -0.29 0.00 1.87 0.00 0.00 56.30 57.77 1wr3 h ASN 26 Cb 0.06 0.00 0.18 0.00 0.27 0.00 0.00 38.32 38.84 1wr3 h ASN 26 CO 0.01 0.05 -0.81 0.54 -0.37 0.00 0.00 177.43 176.85 1wr3 n ARG 27 N -2.44 -4.53 -3.09 6.67 5.12 -0.65 -4.98 116.66 112.76 1wr3 n ARG 27 Ca 0.01 0.86 -0.43 0.00 -1.93 0.00 0.00 57.85 56.36 1wr3 n ARG 27 Cb 0.50 -5.84 -0.06 0.00 -1.16 0.00 0.00 32.46 25.90 1wr3 n ARG 27 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1wr3 s SER 28 N -3.90 6.26 -1.16 0.55 0.01 -1.21 -4.83 113.70 109.42 1wr3 s SER 28 Ca 0.22 -0.69 -0.05 0.00 1.31 0.00 0.00 55.95 56.74 1wr3 s SER 28 Cb -0.03 -2.32 0.24 0.00 0.21 0.00 0.00 66.02 64.12 1wr3 s SER 28 CO 0.74 -0.93 1.79 0.35 0.41 0.00 0.00 173.24 175.59 1wr3 n THR 29 N 5.77 5.19 -4.15 1.44 -2.24 -1.26 -2.33 114.28 116.70 1wr3 n THR 29 Ca -0.04 -5.28 -0.35 0.00 -2.27 0.00 0.00 64.05 56.11 1wr3 n THR 29 Cb 0.46 -2.06 -0.09 0.00 -2.10 0.00 0.00 70.33 66.54 1wr3 n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wr3 s GLN 30 N -1.93 3.56 0.00 -0.78 -2.07 -1.17 -4.91 119.66 112.36 1wr3 s GLN 30 Ca 0.38 -0.36 0.22 0.00 -1.82 0.00 0.00 55.36 53.79 1wr3 s GLN 30 Cb 0.11 -3.04 0.68 0.00 -1.09 0.00 0.00 33.01 29.66 1wr3 s GLN 30 CO 0.01 0.47 1.52 -2.67 -1.32 0.00 0.00 175.29 173.30 1wr3 n TRP 31 N 2.90 0.24 0.02 9.60 2.14 -1.26 -1.80 117.44 129.28 1wr3 n TRP 31 Ca -0.18 -0.12 0.07 0.00 2.07 0.00 0.00 57.50 59.35 1wr3 n TRP 31 Cb 0.53 0.00 0.26 0.00 -0.81 0.00 0.00 31.31 31.29 1wr3 n TRP 31 CO 0.00 0.00 0.00 -2.39 2.07 0.00 0.00 177.69 177.37 1wr3 n HIS 32 N 0.62 1.03 -1.10 -2.67 1.44 -1.26 -4.79 115.22 108.49 1wr3 n HIS 32 Ca 0.17 -0.43 0.00 0.00 -2.01 0.00 0.00 57.72 55.45 1wr3 n HIS 32 Cb 0.41 -0.15 0.00 0.00 0.12 0.00 0.00 29.99 30.37 1wr3 n HIS 32 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 1wr3 n ARG 33 N 0.87 -3.16 -1.54 -1.40 0.63 -1.25 -4.63 116.66 106.18 1wr3 n ARG 33 Ca 0.19 2.34 -0.27 0.00 -0.92 0.00 0.00 57.85 59.19 1wr3 n ARG 33 Cb 0.64 -2.63 -0.08 0.00 0.45 0.00 0.00 32.46 30.84 1wr3 n ARG 33 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1wr3 n PRO 34 N -0.76 0.61 -2.46 -0.14 -0.04 -1.26 -4.88 135.00 126.08 1wr3 n PRO 34 Ca 0.00 -0.30 -0.42 0.00 -0.04 0.00 0.00 63.50 62.74 1wr3 n PRO 34 Cb 0.00 -3.00 -0.03 0.00 -0.04 0.00 0.00 33.50 30.44 1wr3 n PRO 34 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wr3 s SER 35 N 9.98 6.25 0.00 3.54 0.01 -1.26 -5.12 113.70 127.09 1wr3 s SER 35 Ca 1.05 0.24 0.00 0.00 1.31 0.00 0.00 55.95 58.55 1wr3 s SER 35 Cb -0.38 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.30 1wr3 s SER 35 CO 0.27 -1.62 0.05 0.18 0.41 0.00 0.00 173.24 172.52