#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr3 s SER 2 N 0.00 6.87 -0.11 1.61 1.04 -1.26 -4.93 113.70 116.92 1wr3 s SER 2 Ca 0.00 2.05 -0.33 0.00 0.48 0.00 0.00 55.95 58.15 1wr3 s SER 2 Cb 0.00 -2.56 -0.11 0.00 0.10 0.00 0.00 66.02 63.45 1wr3 s SER 2 CO 0.00 -0.71 1.95 -2.65 0.98 0.00 0.00 173.24 172.80 1wr3 n PRO 3 N 5.49 2.13 0.23 4.02 -0.02 -1.26 -4.85 135.00 140.74 1wr3 n PRO 3 Ca 0.13 0.76 0.15 0.00 -2.02 0.00 0.00 63.50 62.52 1wr3 n PRO 3 Cb 0.44 -2.71 0.51 0.00 -0.02 0.00 0.00 33.50 31.72 1wr3 n PRO 3 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1wr3 h PRO 4 N 10.11 0.00 -4.92 0.52 0.11 -2.04 -3.42 132.00 132.36 1wr3 h PRO 4 Ca -0.46 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.00 1wr3 h PRO 4 Cb 1.27 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.21 1wr3 h PRO 4 CO 0.96 0.00 -0.42 -1.17 -0.21 0.00 0.00 178.00 177.16 1wr3 s LEU 5 N -5.81 4.20 0.59 2.35 2.96 -1.26 -5.04 118.68 116.68 1wr3 s LEU 5 Ca 0.04 -0.08 -0.20 0.00 -0.22 0.00 0.00 54.13 53.67 1wr3 s LEU 5 Cb 0.08 -2.22 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 1wr3 s LEU 5 CO 0.56 -0.16 1.27 -2.84 -1.32 0.00 0.00 176.35 173.85 1wr3 s PRO 6 N 1.85 2.93 -0.15 0.98 0.02 -1.26 -4.91 135.00 134.47 1wr3 s PRO 6 Ca 0.09 2.00 -0.29 0.00 0.02 0.00 0.00 61.00 62.82 1wr3 s PRO 6 Cb -0.16 -2.01 -0.06 0.00 0.02 0.00 0.00 34.50 32.29 1wr3 s PRO 6 CO 0.11 -1.28 2.06 -2.14 -0.33 0.00 0.00 177.00 175.41 1wr3 s PRO 7 N -3.20 3.50 0.00 5.54 0.02 -1.26 -2.19 135.00 137.42 1wr3 s PRO 7 Ca 0.77 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.91 1wr3 s PRO 7 Cb -0.35 -4.27 0.00 0.00 0.02 0.00 0.00 34.50 29.90 1wr3 s PRO 7 CO 0.39 -1.68 0.00 0.41 -0.33 0.00 0.00 177.00 175.79 1wr3 n GLY 8 N 5.27 1.31 3.82 0.52 0.00 -1.26 -4.97 105.19 109.88 1wr3 n GLY 8 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.51 3.75 -0.08 1.61 0.52 -0.93 0.29 118.94 123.59 1wr3 s TRP 9 Ca 0.00 1.28 0.01 0.00 0.02 0.00 0.00 56.10 57.41 1wr3 s TRP 9 Cb 0.00 -2.52 0.02 0.00 -1.15 0.00 0.00 33.47 29.82 1wr3 s TRP 9 CO 0.00 0.50 -0.09 -1.21 0.02 0.00 0.00 176.95 176.18 1wr3 s GLU 10 N -1.46 1.44 -0.44 4.98 2.02 0.24 -4.90 118.70 120.58 1wr3 s GLU 10 Ca 0.34 -0.28 -0.28 0.00 0.02 0.00 0.00 54.97 54.78 1wr3 s GLU 10 Cb -0.18 -1.36 0.03 0.00 0.10 0.00 0.00 34.13 32.71 1wr3 s GLU 10 CO 0.20 -0.12 1.05 -2.00 0.02 0.00 0.00 175.26 174.41 1wr3 s GLU 11 N 1.16 3.74 0.04 1.61 2.12 -1.26 -0.55 118.70 125.57 1wr3 s GLU 11 Ca -0.06 0.54 0.04 0.00 0.36 0.00 0.00 54.97 55.84 1wr3 s GLU 11 Cb -0.14 -3.87 -0.02 0.00 0.26 0.00 0.00 34.13 30.35 1wr3 s GLU 11 CO -0.02 -1.21 -0.11 0.15 -0.54 0.00 0.00 175.26 173.53 1wr3 s LYS 12 N 4.03 0.69 -0.07 4.30 1.02 0.16 -4.97 119.74 124.90 1wr3 s LYS 12 Ca 0.43 -0.74 -0.13 0.00 0.02 0.00 0.00 55.97 55.56 1wr3 s LYS 12 Cb -0.09 -0.61 -0.05 0.00 -0.52 0.00 0.00 37.83 36.56 1wr3 s LYS 12 CO 0.26 0.14 0.32 0.08 -0.92 0.00 0.00 175.35 175.23 1wr3 s VAL 13 N -1.06 5.21 0.00 3.17 1.01 -1.26 0.31 120.40 127.77 1wr3 s VAL 13 Ca -0.04 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1wr3 s VAL 13 Cb -0.08 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1wr3 s VAL 13 CO 0.01 0.54 0.00 -0.90 0.00 0.00 0.00 175.10 174.75 1wr3 n ASP 14 N 2.32 0.00 0.03 3.32 5.75 -0.48 -4.90 116.55 122.60 1wr3 n ASP 14 Ca -0.15 -0.85 0.02 0.00 -0.01 0.00 0.00 54.79 53.80 1wr3 n ASP 14 Cb 0.53 0.00 0.36 0.00 -1.03 0.00 0.00 41.12 40.98 1wr3 n ASP 14 CO 0.00 0.00 0.00 -1.13 -0.11 0.00 0.00 177.20 175.96 1wr3 h ASN 15 N 0.00 0.41 0.00 -1.12 -1.24 -1.99 -3.17 115.58 108.48 1wr3 h ASN 15 Ca 0.00 -0.06 -0.00 0.00 0.71 0.00 0.00 56.30 56.95 1wr3 h ASN 15 Cb 0.00 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 38.94 1wr3 h ASN 15 CO 0.00 0.44 -0.00 -0.07 -1.29 0.00 0.00 177.43 176.51 1wr3 h LEU 16 N 0.44 -0.00 0.00 0.34 3.38 -2.04 -3.48 115.31 113.95 1wr3 h LEU 16 Ca 0.10 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.20 1wr3 h LEU 16 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1wr3 h LEU 16 CO 0.00 0.91 0.00 0.61 0.09 0.00 0.00 178.44 180.06 1wr3 n GLY 17 N 1.53 0.45 3.71 0.83 0.00 -1.20 -5.13 105.19 105.37 1wr3 n GLY 17 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 4.19 -0.69 1.61 0.52 -1.26 -4.82 118.95 118.50 1wr3 s ARG 18 Ca 0.00 -0.08 -0.27 0.00 -0.52 0.00 0.00 55.73 54.86 1wr3 s ARG 18 Cb 0.00 -3.46 0.03 0.00 0.52 0.00 0.00 34.95 32.05 1wr3 s ARG 18 CO 0.00 0.20 1.22 0.99 0.02 0.00 0.00 175.30 177.73 1wr3 s THR 19 N 0.62 3.86 0.30 0.02 2.01 -1.26 -1.38 115.64 119.81 1wr3 s THR 19 Ca 0.12 0.46 0.06 0.00 0.31 0.00 0.00 61.69 62.64 1wr3 s THR 19 Cb -0.12 -4.84 -0.02 0.00 0.01 0.00 0.00 72.50 67.52 1wr3 s THR 19 CO 0.02 -1.68 0.42 -0.72 -0.69 0.00 0.00 174.62 171.97 1wr3 s TYR 20 N 5.36 3.25 -0.30 4.92 1.13 0.15 -4.71 117.35 127.15 1wr3 s TYR 20 Ca 0.36 -0.14 -0.00 0.00 -1.41 0.00 0.00 57.07 55.88 1wr3 s TYR 20 Cb -0.09 -1.82 0.06 0.00 -1.10 0.00 0.00 41.96 39.01 1wr3 s TYR 20 CO 0.17 0.17 -0.01 0.71 -2.51 0.00 0.00 175.55 174.08 1wr3 s TYR 21 N -2.10 3.32 -0.31 -3.49 1.51 0.13 -0.67 117.35 115.75 1wr3 s TYR 21 Ca 0.40 -2.10 -0.10 0.00 -1.01 0.00 0.00 57.07 54.26 1wr3 s TYR 21 Cb -0.09 -2.19 -0.02 0.00 -0.11 0.00 0.00 41.96 39.55 1wr3 s TYR 21 CO 0.30 -0.85 0.17 0.54 -1.11 0.00 0.00 175.55 174.61 1wr3 s VAL 22 N 1.18 4.81 0.40 0.71 0.11 0.29 -3.03 120.40 124.87 1wr3 s VAL 22 Ca -0.04 -0.29 -0.25 0.00 -2.93 0.00 0.00 61.98 58.47 1wr3 s VAL 22 Cb -0.20 -3.42 -0.09 0.00 -1.53 0.00 0.00 36.38 31.14 1wr3 s VAL 22 CO -0.03 0.09 1.10 0.21 -3.33 0.00 0.00 175.10 173.15 1wr3 s ASN 23 N 1.65 6.65 0.00 3.54 3.84 -0.71 -0.59 114.94 129.32 1wr3 s ASN 23 Ca 0.05 2.18 0.14 0.00 0.21 0.00 0.00 52.86 55.45 1wr3 s ASN 23 Cb -0.17 -2.60 -0.10 0.00 -0.55 0.00 0.00 41.25 37.83 1wr3 s ASN 23 CO 0.07 -0.58 0.67 1.41 -2.79 0.00 0.00 177.10 175.89 1wr3 n HIS 24 N 0.02 0.00 -0.09 0.43 8.25 0.14 -2.36 115.22 121.61 1wr3 n HIS 24 Ca 0.05 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.33 1wr3 n HIS 24 Cb 0.48 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.46 1wr3 n HIS 24 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1wr3 n ASN 25 N -0.92 1.69 -0.12 0.41 0.23 -1.26 -4.45 115.26 110.84 1wr3 n ASN 25 Ca 0.04 -0.02 0.03 0.00 -0.53 0.00 0.00 54.58 54.10 1wr3 n ASN 25 Cb 0.25 -0.30 -0.01 0.00 -2.08 0.00 0.00 39.78 37.64 1wr3 n ASN 25 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1wr3 n ASN 26 N -3.23 0.86 -3.48 0.53 4.05 -1.26 -5.06 115.26 107.66 1wr3 n ASN 26 Ca -0.40 -0.93 -0.28 0.00 0.45 0.00 0.00 54.58 53.42 1wr3 n ASN 26 Cb 1.03 0.56 0.02 0.00 1.23 0.00 0.00 39.78 42.62 1wr3 n ASN 26 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1wr3 n ARG 27 N -0.47 -1.83 -4.76 1.20 1.74 -1.00 -4.99 116.66 106.55 1wr3 n ARG 27 Ca 0.02 1.32 -0.33 0.00 -0.77 0.00 0.00 57.85 58.09 1wr3 n ARG 27 Cb 0.13 -2.83 -0.14 0.00 -1.02 0.00 0.00 32.46 28.60 1wr3 n ARG 27 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1wr3 s SER 28 N -2.18 4.10 -0.86 0.55 0.01 -1.23 -4.85 113.70 109.24 1wr3 s SER 28 Ca 0.23 -0.28 0.01 0.00 1.31 0.00 0.00 55.95 57.22 1wr3 s SER 28 Cb -0.03 -1.47 0.27 0.00 0.21 0.00 0.00 66.02 65.00 1wr3 s SER 28 CO 0.86 0.21 1.09 0.35 0.41 0.00 0.00 173.24 176.16 1wr3 n THR 29 N 3.26 3.79 -4.23 1.44 -2.24 -1.26 -1.73 114.28 113.30 1wr3 n THR 29 Ca -0.18 -5.55 -0.33 0.00 -2.27 0.00 0.00 64.05 55.73 1wr3 n THR 29 Cb 0.53 -2.11 -0.08 0.00 -2.10 0.00 0.00 70.33 66.56 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 -2.54 2.87 -0.38 -0.78 1.03 -1.17 -4.88 119.66 113.81 1wr3 s GLN 30 Ca 0.35 -0.57 0.06 0.00 0.04 0.00 0.00 55.36 55.24 1wr3 s GLN 30 Cb 0.09 -2.73 0.54 0.00 0.03 0.00 0.00 33.01 30.94 1wr3 s GLN 30 CO 0.03 0.64 1.64 -2.67 -2.54 0.00 0.00 175.29 172.39 1wr3 n TRP 31 N 1.37 2.06 -0.09 9.60 2.14 -1.26 0.21 117.44 131.46 1wr3 n TRP 31 Ca -0.14 -1.92 0.00 0.00 2.07 0.00 0.00 57.50 57.51 1wr3 n TRP 31 Cb 0.53 -0.73 0.00 0.00 -0.81 0.00 0.00 31.31 30.30 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 -1.07 0.00 -1.21 -2.67 1.44 -1.26 -4.90 115.22 105.55 1wr3 n HIS 32 Ca 0.45 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.16 1wr3 n HIS 32 Cb 1.16 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.27 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 -0.14 -3.39 -1.65 -1.40 0.63 -1.26 -4.59 116.66 104.86 1wr3 n ARG 33 Ca 0.00 2.55 -0.29 0.00 -0.92 0.00 0.00 57.85 59.19 1wr3 n ARG 33 Cb 0.02 -2.95 -0.04 0.00 0.45 0.00 0.00 32.46 29.94 1wr3 n ARG 33 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1wr3 s PRO 34 N -4.49 2.04 -0.37 -0.14 0.02 -1.26 -4.90 135.00 125.90 1wr3 s PRO 34 Ca 0.00 0.94 0.03 0.00 0.02 0.00 0.00 61.00 61.99 1wr3 s PRO 34 Cb 0.00 -4.65 0.11 0.00 0.02 0.00 0.00 34.50 29.98 1wr3 s PRO 34 CO 0.00 -3.56 0.10 -1.12 -0.33 0.00 0.00 177.00 172.09 1wr3 s SER 35 N 11.08 4.49 0.00 2.53 0.01 -1.26 -5.08 113.70 125.46 1wr3 s SER 35 Ca 0.91 -2.23 0.09 0.00 1.31 0.00 0.00 55.95 56.03 1wr3 s SER 35 Cb -0.15 -1.45 0.07 0.00 0.21 0.00 0.00 66.02 64.70 1wr3 s SER 35 CO 0.18 -0.36 0.79 -0.11 0.41 0.00 0.00 173.24 174.16