#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 -0.82 0.08 1.61 0.01 -1.26 -5.14 113.70 108.18 1wr3 s SER 2 Ca 0.00 1.47 -0.32 0.00 1.31 0.00 0.00 55.95 58.41 1wr3 s SER 2 Cb 0.00 1.43 -0.11 0.00 0.21 0.00 0.00 66.02 67.55 1wr3 s SER 2 CO 0.00 -0.24 1.84 -2.65 0.41 0.00 0.00 173.24 172.59 1wr3 n PRO 3 N 3.32 2.62 0.26 12.44 -0.02 -1.26 -4.88 135.00 147.49 1wr3 n PRO 3 Ca -0.16 0.96 0.11 0.00 -2.02 0.00 0.00 63.50 62.38 1wr3 n PRO 3 Cb 0.57 -2.84 0.70 0.00 -0.02 0.00 0.00 33.50 31.91 1wr3 n PRO 3 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1wr3 h PRO 4 N 8.68 0.00 -4.90 0.52 0.13 -2.01 -3.38 132.00 131.03 1wr3 h PRO 4 Ca -0.47 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.00 1wr3 h PRO 4 Cb 1.24 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.14 1wr3 h PRO 4 CO 0.94 0.10 -0.61 -1.17 -0.23 0.00 0.00 178.00 177.03 1wr3 s LEU 5 N -7.95 3.61 0.52 1.56 2.96 -1.26 -4.92 118.68 113.19 1wr3 s LEU 5 Ca -0.04 -0.32 -0.22 0.00 -0.22 0.00 0.00 54.13 53.33 1wr3 s LEU 5 Cb 0.15 -1.93 -0.06 0.00 0.50 0.00 0.00 46.19 44.85 1wr3 s LEU 5 CO 0.62 -0.08 1.33 -2.84 -1.32 0.00 0.00 176.35 174.06 1wr3 s PRO 6 N 1.60 3.31 -0.32 0.98 0.02 -1.26 -4.87 135.00 134.46 1wr3 s PRO 6 Ca 0.06 2.17 -0.28 0.00 0.02 0.00 0.00 61.00 62.97 1wr3 s PRO 6 Cb -0.16 -2.33 -0.05 0.00 0.02 0.00 0.00 34.50 31.99 1wr3 s PRO 6 CO 0.04 -1.03 2.17 -2.14 -0.33 0.00 0.00 177.00 175.70 1wr3 s PRO 7 N -2.81 2.91 0.00 5.54 0.02 -1.26 -0.93 135.00 138.46 1wr3 s PRO 7 Ca 0.69 1.71 0.00 0.00 0.02 0.00 0.00 61.00 63.42 1wr3 s PRO 7 Cb -0.39 -4.39 0.00 0.00 0.02 0.00 0.00 34.50 29.74 1wr3 s PRO 7 CO 0.46 -2.36 0.00 0.41 -0.33 0.00 0.00 177.00 175.19 1wr3 n GLY 8 N 5.75 1.25 3.86 0.52 0.00 -1.26 -5.04 105.19 110.26 1wr3 n GLY 8 Ca 0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.75 3.66 -0.16 1.61 0.52 -0.11 0.67 118.94 124.38 1wr3 s TRP 9 Ca 0.00 0.83 0.01 0.00 0.02 0.00 0.00 56.10 56.96 1wr3 s TRP 9 Cb 0.00 -2.17 0.02 0.00 -1.15 0.00 0.00 33.47 30.16 1wr3 s TRP 9 CO 0.00 0.62 -0.19 -2.00 0.02 0.00 0.00 176.95 175.40 1wr3 s GLU 10 N -1.38 2.86 -0.53 4.98 2.12 0.40 -4.87 118.70 122.28 1wr3 s GLU 10 Ca 0.26 -0.78 -0.28 0.00 0.36 0.00 0.00 54.97 54.52 1wr3 s GLU 10 Cb -0.15 -2.44 0.02 0.00 0.26 0.00 0.00 34.13 31.81 1wr3 s GLU 10 CO 0.14 -0.16 1.36 -2.00 -0.54 0.00 0.00 175.26 174.06 1wr3 s GLU 11 N 1.20 3.40 -0.03 4.30 2.12 -1.26 -0.50 118.70 127.93 1wr3 s GLU 11 Ca 0.02 0.51 0.04 0.00 0.36 0.00 0.00 54.97 55.90 1wr3 s GLU 11 Cb -0.14 -4.08 -0.00 0.00 0.26 0.00 0.00 34.13 30.17 1wr3 s GLU 11 CO -0.10 -1.80 -0.15 0.15 -0.54 0.00 0.00 175.26 172.82 1wr3 s LYS 12 N 5.27 1.39 0.12 4.30 1.02 0.58 -4.97 119.74 127.44 1wr3 s LYS 12 Ca 0.52 -0.52 -0.28 0.00 0.02 0.00 0.00 55.97 55.72 1wr3 s LYS 12 Cb -0.10 -1.27 -0.07 0.00 -0.52 0.00 0.00 37.83 35.87 1wr3 s LYS 12 CO 0.27 0.25 0.86 0.08 -0.92 0.00 0.00 175.35 175.89 1wr3 s VAL 13 N -0.07 4.48 0.11 3.17 1.01 -1.26 0.15 120.40 127.97 1wr3 s VAL 13 Ca -0.00 1.87 -0.21 0.00 0.00 0.00 0.00 61.98 63.64 1wr3 s VAL 13 Cb -0.09 -4.23 -0.10 0.00 0.00 0.00 0.00 36.38 31.97 1wr3 s VAL 13 CO 0.01 0.40 1.75 -2.24 0.00 0.00 0.00 175.10 175.01 1wr3 h ASP 14 N 5.14 0.15 0.00 3.32 2.03 -1.85 -3.47 116.42 121.74 1wr3 h ASP 14 Ca -0.44 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 1wr3 h ASP 14 Cb 1.21 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 1wr3 h ASP 14 CO 0.70 0.13 0.00 -3.20 -1.03 0.00 0.00 179.24 175.84 1wr3 n ASN 15 N -4.99 0.00 -0.13 4.15 5.15 -1.26 -4.99 115.26 113.19 1wr3 n ASN 15 Ca -0.05 0.00 -0.23 0.00 -0.60 0.00 0.00 54.58 53.70 1wr3 n ASN 15 Cb 0.04 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.18 1wr3 n ASN 15 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1wr3 n LEU 16 N 0.00 2.52 0.00 1.20 7.94 -1.26 -4.99 117.00 122.40 1wr3 n LEU 16 Ca 0.00 0.09 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 1wr3 n LEU 16 Cb 0.00 -0.88 0.00 0.00 0.53 0.00 0.00 43.42 43.07 1wr3 n LEU 16 CO 0.00 0.77 0.00 0.61 -1.11 0.00 0.00 177.39 177.66 1wr3 n GLY 17 N 1.81 0.00 3.23 -3.96 0.00 -1.26 -5.08 105.19 99.93 1wr3 n GLY 17 Ca -0.49 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 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 3.25 -0.56 1.61 0.52 -1.26 -4.96 118.95 117.55 1wr3 s ARG 18 Ca 0.00 -2.58 -0.26 0.00 -0.52 0.00 0.00 55.73 52.37 1wr3 s ARG 18 Cb 0.00 -4.16 -0.04 0.00 0.52 0.00 0.00 34.95 31.27 1wr3 s ARG 18 CO 0.00 -1.25 2.06 0.99 0.02 0.00 0.00 175.30 177.13 1wr3 s THR 19 N -0.09 3.23 0.46 0.02 2.01 -1.26 -2.46 115.64 117.55 1wr3 s THR 19 Ca 0.19 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.36 1wr3 s THR 19 Cb -0.14 -3.59 0.01 0.00 0.01 0.00 0.00 72.50 68.80 1wr3 s THR 19 CO -0.07 -0.57 0.65 -0.72 -0.69 0.00 0.00 174.62 173.22 1wr3 s TYR 20 N 10.21 2.93 -0.32 4.92 1.13 0.12 -4.78 117.35 131.57 1wr3 s TYR 20 Ca 0.79 -0.14 0.03 0.00 -1.41 0.00 0.00 57.07 56.34 1wr3 s TYR 20 Cb -0.14 -2.46 0.09 0.00 -1.10 0.00 0.00 41.96 38.35 1wr3 s TYR 20 CO 0.23 -0.53 0.01 0.71 -2.51 0.00 0.00 175.55 173.46 1wr3 s TYR 21 N -2.51 3.46 -0.39 -3.49 2.02 0.76 -0.31 117.35 116.89 1wr3 s TYR 21 Ca 0.53 -2.71 -0.21 0.00 -0.37 0.00 0.00 57.07 54.32 1wr3 s TYR 21 Cb -0.10 -2.56 0.01 0.00 -0.40 0.00 0.00 41.96 38.91 1wr3 s TYR 21 CO 0.35 -0.92 0.64 0.54 -1.57 0.00 0.00 175.55 174.59 1wr3 s VAL 22 N 1.02 4.86 0.41 0.71 0.11 0.34 -3.11 120.40 124.73 1wr3 s VAL 22 Ca 0.06 0.40 -0.25 0.00 -2.93 0.00 0.00 61.98 59.25 1wr3 s VAL 22 Cb -0.19 -4.13 -0.08 0.00 -1.53 0.00 0.00 36.38 30.45 1wr3 s VAL 22 CO -0.08 -0.43 1.20 0.21 -3.33 0.00 0.00 175.10 172.67 1wr3 s ASN 23 N 1.89 6.42 0.00 3.54 3.84 0.23 -0.45 114.94 130.41 1wr3 s ASN 23 Ca 0.24 2.42 0.16 0.00 0.21 0.00 0.00 52.86 55.89 1wr3 s ASN 23 Cb -0.14 -2.62 0.29 0.00 -0.55 0.00 0.00 41.25 38.23 1wr3 s ASN 23 CO 0.17 -0.75 1.20 1.41 -2.79 0.00 0.00 177.10 176.33 1wr3 n HIS 24 N 0.03 0.33 -0.03 0.43 8.25 0.21 -2.76 115.22 121.68 1wr3 n HIS 24 Ca 0.04 -0.24 -0.03 0.00 -0.26 0.00 0.00 57.72 57.24 1wr3 n HIS 24 Cb 0.46 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.55 1wr3 n HIS 24 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1wr3 n ASN 25 N 0.97 0.81 -0.00 0.41 3.02 -1.26 -4.62 115.26 114.59 1wr3 n ASN 25 Ca 0.13 0.32 0.10 0.00 -0.03 0.00 0.00 54.58 55.11 1wr3 n ASN 25 Cb 0.46 -0.64 -0.13 0.00 -0.61 0.00 0.00 39.78 38.86 1wr3 n ASN 25 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1wr3 n ASN 26 N -3.32 0.73 -2.43 6.41 3.02 -1.26 -5.01 115.26 113.41 1wr3 n ASN 26 Ca -0.04 -0.72 -0.11 0.00 -0.03 0.00 0.00 54.58 53.67 1wr3 n ASN 26 Cb 0.16 1.25 0.05 0.00 -0.61 0.00 0.00 39.78 40.62 1wr3 n ASN 26 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1wr3 n ARG 27 N -1.70 -4.19 -2.59 3.52 1.74 -1.11 -5.01 116.66 107.31 1wr3 n ARG 27 Ca 0.02 0.51 -0.41 0.00 -0.77 0.00 0.00 57.85 57.19 1wr3 n ARG 27 Cb 0.39 -4.52 -0.04 0.00 -1.02 0.00 0.00 32.46 27.27 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 -3.65 7.33 -0.76 0.55 0.01 -1.25 -4.76 113.70 111.16 1wr3 s SER 28 Ca 0.09 1.93 0.03 0.00 1.31 0.00 0.00 55.95 59.31 1wr3 s SER 28 Cb -0.04 -2.59 0.23 0.00 0.21 0.00 0.00 66.02 63.83 1wr3 s SER 28 CO 0.44 -0.21 0.79 0.35 0.41 0.00 0.00 173.24 175.01 1wr3 n THR 29 N 2.94 2.69 -4.24 1.44 -2.24 -1.26 -0.60 114.28 113.00 1wr3 n THR 29 Ca 0.04 -5.21 -0.34 0.00 -2.27 0.00 0.00 64.05 56.27 1wr3 n THR 29 Cb 0.48 -2.17 -0.08 0.00 -2.10 0.00 0.00 70.33 66.45 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 -2.08 3.01 -0.02 -0.78 -2.07 -1.18 -4.86 119.66 111.67 1wr3 s GLN 30 Ca 0.33 -0.44 0.13 0.00 -1.82 0.00 0.00 55.36 53.56 1wr3 s GLN 30 Cb 0.05 -2.82 0.41 0.00 -1.09 0.00 0.00 33.01 29.56 1wr3 s GLN 30 CO -0.06 0.68 1.32 0.91 -1.32 0.00 0.00 175.29 176.83 1wr3 n TRP 31 N 1.75 0.70 -4.69 9.60 7.02 -1.26 -0.17 117.44 130.39 1wr3 n TRP 31 Ca -0.17 -0.32 -0.33 0.00 -1.02 0.00 0.00 57.50 55.66 1wr3 n TRP 31 Cb 0.53 -0.05 -0.14 0.00 -2.42 0.00 0.00 31.31 29.24 1wr3 n TRP 31 CO 0.00 0.00 0.00 -3.38 -2.02 0.00 0.00 177.69 172.29 1wr3 s HIS 32 N -1.49 2.86 -0.01 -5.99 -3.43 -1.26 -4.83 115.29 101.14 1wr3 s HIS 32 Ca 0.31 -0.48 -0.30 0.00 -0.80 0.00 0.00 55.06 53.79 1wr3 s HIS 32 Cb 0.17 -1.85 -0.03 0.00 -1.43 0.00 0.00 32.58 29.44 1wr3 s HIS 32 CO 0.19 -0.10 1.02 0.50 -2.00 0.00 0.00 174.74 174.34 1wr3 s ARG 33 N 0.19 4.52 -0.51 -0.38 3.52 -1.26 -4.89 118.95 120.15 1wr3 s ARG 33 Ca -0.06 1.46 -0.26 0.00 -0.13 0.00 0.00 55.73 56.74 1wr3 s ARG 33 Cb -0.15 -3.46 -0.07 0.00 -1.56 0.00 0.00 34.95 29.71 1wr3 s ARG 33 CO 0.04 -0.12 2.42 -1.25 -0.81 0.00 0.00 175.30 175.58 1wr3 s PRO 34 N 1.18 2.06 0.17 5.12 0.04 -1.26 -4.91 135.00 137.39 1wr3 s PRO 34 Ca 0.52 1.37 -0.31 0.00 0.04 0.00 0.00 61.00 62.62 1wr3 s PRO 34 Cb -0.22 -4.60 -0.09 0.00 0.04 0.00 0.00 34.50 29.63 1wr3 s PRO 34 CO 0.27 -3.36 1.47 -1.54 0.04 0.00 0.00 177.00 173.88 1wr3 s SER 35 N 12.20 6.70 0.00 6.66 1.04 -1.26 -4.95 113.70 134.09 1wr3 s SER 35 Ca 0.98 2.51 0.00 0.00 0.48 0.00 0.00 55.95 59.92 1wr3 s SER 35 Cb -0.17 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.35 1wr3 s SER 35 CO 0.25 -0.72 0.00 0.18 0.98 0.00 0.00 173.24 173.93