#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 6.37 0.86 1.61 0.01 -1.26 -5.09 113.70 116.20 1wr3 s SER 2 Ca 0.00 0.43 -0.13 0.00 1.31 0.00 0.00 55.95 57.56 1wr3 s SER 2 Cb 0.00 -2.10 0.06 0.00 0.21 0.00 0.00 66.02 64.18 1wr3 s SER 2 CO 0.00 0.29 0.79 -2.65 0.41 0.00 0.00 173.24 172.08 1wr3 n PRO 3 N 2.68 -0.08 -1.59 12.44 -0.02 -1.26 -4.84 135.00 142.33 1wr3 n PRO 3 Ca -0.17 0.04 -0.54 0.00 -2.02 0.00 0.00 63.50 60.81 1wr3 n PRO 3 Cb 0.53 -2.11 -0.06 0.00 -0.02 0.00 0.00 33.50 31.84 1wr3 n PRO 3 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1wr3 n PRO 4 N -2.44 0.97 -3.76 0.52 -0.04 -1.26 -4.96 135.00 124.03 1wr3 n PRO 4 Ca 0.10 0.35 -0.36 0.00 -0.04 0.00 0.00 63.50 63.55 1wr3 n PRO 4 Cb 0.52 -1.98 -0.07 0.00 -0.04 0.00 0.00 33.50 31.93 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 0.79 4.33 0.63 1.53 2.96 -1.26 -5.08 118.68 122.57 1wr3 s LEU 5 Ca 0.87 0.46 -0.18 0.00 -0.22 0.00 0.00 54.13 55.06 1wr3 s LEU 5 Cb -1.02 -2.16 -0.02 0.00 0.50 0.00 0.00 46.19 43.49 1wr3 s LEU 5 CO 0.51 0.31 1.26 -2.84 -1.32 0.00 0.00 176.35 174.26 1wr3 s PRO 6 N -0.49 2.73 -0.35 0.98 0.02 -1.26 -4.85 135.00 131.78 1wr3 s PRO 6 Ca 0.14 1.95 -0.29 0.00 0.02 0.00 0.00 61.00 62.82 1wr3 s PRO 6 Cb -0.12 -1.88 -0.08 0.00 0.02 0.00 0.00 34.50 32.44 1wr3 s PRO 6 CO 0.03 -1.43 2.28 -2.30 -0.33 0.00 0.00 177.00 175.25 1wr3 n PRO 7 N -1.78 1.45 0.00 5.54 -0.02 -1.26 -1.36 135.00 137.57 1wr3 n PRO 7 Ca 0.15 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1wr3 n PRO 7 Cb 0.49 -3.04 0.00 0.00 -0.02 0.00 0.00 33.50 30.93 1wr3 n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wr3 n GLY 8 N 6.05 1.70 3.74 -1.23 0.00 -1.26 -4.90 105.19 109.29 1wr3 n GLY 8 Ca 0.36 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.15 3.72 -0.02 1.61 0.52 -0.46 0.56 118.94 123.72 1wr3 s TRP 9 Ca 0.00 1.44 0.05 0.00 0.02 0.00 0.00 56.10 57.62 1wr3 s TRP 9 Cb 0.00 -2.81 -0.01 0.00 -1.15 0.00 0.00 33.47 29.50 1wr3 s TRP 9 CO 0.00 0.27 -0.19 -2.00 0.02 0.00 0.00 176.95 175.05 1wr3 s GLU 10 N -0.02 1.60 -0.34 4.98 2.12 0.19 -4.86 118.70 122.38 1wr3 s GLU 10 Ca 0.38 -0.66 -0.28 0.00 0.36 0.00 0.00 54.97 54.76 1wr3 s GLU 10 Cb -0.20 -1.51 0.02 0.00 0.26 0.00 0.00 34.13 32.70 1wr3 s GLU 10 CO 0.22 0.37 1.06 -2.00 -0.54 0.00 0.00 175.26 174.37 1wr3 s GLU 11 N -0.34 4.01 0.20 4.30 2.12 -1.26 -0.06 118.70 127.67 1wr3 s GLU 11 Ca 0.05 0.96 0.04 0.00 0.36 0.00 0.00 54.97 56.38 1wr3 s GLU 11 Cb -0.08 -3.76 -0.05 0.00 0.26 0.00 0.00 34.13 30.50 1wr3 s GLU 11 CO -0.00 -0.94 -0.06 0.15 -0.54 0.00 0.00 175.26 173.87 1wr3 s LYS 12 N 3.69 1.24 -0.05 4.30 1.02 0.27 -4.97 119.74 125.25 1wr3 s LYS 12 Ca 0.44 -1.59 0.06 0.00 0.02 0.00 0.00 55.97 54.91 1wr3 s LYS 12 Cb -0.12 -0.70 -0.01 0.00 -0.52 0.00 0.00 37.83 36.48 1wr3 s LYS 12 CO 0.17 0.01 -0.24 0.08 -0.92 0.00 0.00 175.35 174.45 1wr3 s VAL 13 N -3.31 1.93 0.27 3.17 1.01 -1.26 0.48 120.40 122.68 1wr3 s VAL 13 Ca 0.23 -1.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.16 1wr3 s VAL 13 Cb 0.04 -1.63 0.06 0.00 0.00 0.00 0.00 36.38 34.85 1wr3 s VAL 13 CO 0.06 0.54 0.37 -0.90 0.00 0.00 0.00 175.10 175.16 1wr3 n ASP 14 N 2.86 0.02 0.09 3.32 5.75 -1.09 -4.90 116.55 122.60 1wr3 n ASP 14 Ca -0.17 -1.13 0.03 0.00 -0.01 0.00 0.00 54.79 53.51 1wr3 n ASP 14 Cb 0.52 -0.28 0.43 0.00 -1.03 0.00 0.00 41.12 40.76 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 -0.49 0.29 0.01 -1.12 -1.24 -2.01 -3.07 115.58 107.95 1wr3 h ASN 15 Ca -0.12 -0.04 -0.00 0.00 0.71 0.00 0.00 56.30 56.86 1wr3 h ASN 15 Cb 0.33 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.30 1wr3 h ASN 15 CO 0.08 0.33 -0.01 0.25 -1.29 0.00 0.00 177.43 176.80 1wr3 h LEU 16 N 0.31 -0.01 0.00 0.34 7.12 -2.05 -3.48 115.31 117.53 1wr3 h LEU 16 Ca 0.07 -0.78 0.00 0.00 0.13 0.00 0.00 57.88 57.31 1wr3 h LEU 16 Cb 0.19 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.33 1wr3 h LEU 16 CO 0.00 0.84 0.00 0.61 -0.13 0.00 0.00 178.44 179.76 1wr3 n GLY 17 N 1.41 0.37 3.57 3.75 0.00 -1.16 -5.12 105.19 108.01 1wr3 n GLY 17 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 3.65 -0.70 1.61 0.52 -1.26 -4.81 118.95 117.96 1wr3 s ARG 18 Ca 0.00 0.01 -0.26 0.00 -0.52 0.00 0.00 55.73 54.96 1wr3 s ARG 18 Cb 0.00 -3.82 -0.03 0.00 0.52 0.00 0.00 34.95 31.62 1wr3 s ARG 18 CO 0.00 -0.74 1.93 0.99 0.02 0.00 0.00 175.30 177.49 1wr3 s THR 19 N 2.69 3.36 0.46 0.02 2.01 -1.26 -2.66 115.64 120.25 1wr3 s THR 19 Ca 0.24 0.02 0.08 0.00 0.31 0.00 0.00 61.69 62.33 1wr3 s THR 19 Cb -0.15 -3.89 0.02 0.00 0.01 0.00 0.00 72.50 68.49 1wr3 s THR 19 CO 0.15 -0.85 0.53 -0.72 -0.69 0.00 0.00 174.62 173.04 1wr3 s TYR 20 N 9.68 2.38 -0.32 4.92 1.13 0.18 -4.87 117.35 130.45 1wr3 s TYR 20 Ca 0.70 -0.54 -0.01 0.00 -1.41 0.00 0.00 57.07 55.81 1wr3 s TYR 20 Cb -0.11 -2.23 0.06 0.00 -1.10 0.00 0.00 41.96 38.58 1wr3 s TYR 20 CO 0.14 -0.47 0.03 0.71 -2.51 0.00 0.00 175.55 173.45 1wr3 s TYR 21 N -2.50 3.35 -0.45 -3.49 2.02 -0.20 -0.56 117.35 115.53 1wr3 s TYR 21 Ca 0.52 -2.09 -0.20 0.00 -0.37 0.00 0.00 57.07 54.94 1wr3 s TYR 21 Cb -0.06 -2.33 0.03 0.00 -0.40 0.00 0.00 41.96 39.20 1wr3 s TYR 21 CO 0.31 -0.85 0.60 0.54 -1.57 0.00 0.00 175.55 174.59 1wr3 s VAL 22 N 1.19 4.88 0.13 0.71 0.11 0.92 -3.30 120.40 125.04 1wr3 s VAL 22 Ca -0.02 -0.09 -0.31 0.00 -2.93 0.00 0.00 61.98 58.62 1wr3 s VAL 22 Cb -0.20 -4.19 -0.08 0.00 -1.53 0.00 0.00 36.38 30.37 1wr3 s VAL 22 CO -0.02 -0.61 1.43 0.21 -3.33 0.00 0.00 175.10 172.78 1wr3 s ASN 23 N 2.10 6.77 0.00 3.54 3.84 -0.82 -0.64 114.94 129.73 1wr3 s ASN 23 Ca 0.19 2.40 0.24 0.00 0.21 0.00 0.00 52.86 55.90 1wr3 s ASN 23 Cb -0.16 -2.59 0.35 0.00 -0.55 0.00 0.00 41.25 38.31 1wr3 s ASN 23 CO 0.17 -0.70 1.30 1.41 -2.79 0.00 0.00 177.10 176.49 1wr3 n HIS 24 N 3.96 0.00 0.00 0.43 8.25 0.19 -2.35 115.22 125.71 1wr3 n HIS 24 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1wr3 n HIS 24 Cb 0.41 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.42 1wr3 n HIS 24 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1wr3 n ASN 25 N -0.85 0.00 -1.19 0.41 2.85 -1.26 -4.48 115.26 110.74 1wr3 n ASN 25 Ca 0.09 0.10 0.11 0.00 -0.11 0.00 0.00 54.58 54.76 1wr3 n ASN 25 Cb 0.37 -0.07 0.28 0.00 1.24 0.00 0.00 39.78 41.60 1wr3 n ASN 25 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1wr3 n ASN 26 N -0.71 3.46 -3.70 1.20 5.15 -1.26 -4.94 115.26 114.45 1wr3 n ASN 26 Ca 0.00 -2.00 -0.28 0.00 -0.60 0.00 0.00 54.58 51.70 1wr3 n ASN 26 Cb 0.00 -0.42 0.02 0.00 -0.53 0.00 0.00 39.78 38.85 1wr3 n ASN 26 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1wr3 n ARG 27 N 1.40 -4.87 -1.94 1.20 5.12 -0.99 -4.90 116.66 111.67 1wr3 n ARG 27 Ca 0.22 0.59 -0.39 0.00 -1.93 0.00 0.00 57.85 56.34 1wr3 n ARG 27 Cb 0.55 -5.44 -0.03 0.00 -1.16 0.00 0.00 32.46 26.38 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 -3.09 5.32 -1.07 0.55 0.01 -1.25 -4.75 113.70 109.42 1wr3 s SER 28 Ca 0.57 0.77 -0.04 0.00 1.31 0.00 0.00 55.95 58.57 1wr3 s SER 28 Cb -0.29 -2.52 0.31 0.00 0.21 0.00 0.00 66.02 63.73 1wr3 s SER 28 CO 0.70 -2.25 1.51 0.35 0.41 0.00 0.00 173.24 173.96 1wr3 n THR 29 N 7.41 5.40 -4.10 1.44 -2.24 -1.26 -1.95 114.28 118.97 1wr3 n THR 29 Ca 0.24 -5.95 -0.31 0.00 -2.27 0.00 0.00 64.05 55.76 1wr3 n THR 29 Cb 0.51 -2.02 -0.07 0.00 -2.10 0.00 0.00 70.33 66.65 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 -2.96 2.84 0.01 -0.78 -2.07 -1.21 -4.92 119.66 110.56 1wr3 s GLN 30 Ca 0.32 -0.68 0.22 0.00 -1.82 0.00 0.00 55.36 53.40 1wr3 s GLN 30 Cb 0.06 -2.71 -0.19 0.00 -1.09 0.00 0.00 33.01 29.09 1wr3 s GLN 30 CO 0.09 0.58 0.79 -2.67 -1.32 0.00 0.00 175.29 172.76 1wr3 n TRP 31 N 0.71 0.08 1.81 9.60 2.14 -1.26 -1.03 117.44 129.49 1wr3 n TRP 31 Ca -0.10 0.02 0.02 0.00 2.07 0.00 0.00 57.50 59.51 1wr3 n TRP 31 Cb 0.52 -0.30 0.12 0.00 -0.81 0.00 0.00 31.31 30.83 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 -1.90 0.00 -0.52 -2.67 1.44 -1.26 -4.71 115.22 105.59 1wr3 n HIS 32 Ca 0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.72 1wr3 n HIS 32 Cb 0.44 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.55 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 -0.57 -1.48 -1.21 -1.40 0.63 -1.26 -4.68 116.66 106.68 1wr3 n ARG 33 Ca 0.03 1.08 -0.35 0.00 -0.92 0.00 0.00 57.85 57.69 1wr3 n ARG 33 Cb 0.01 -1.20 -0.02 0.00 0.45 0.00 0.00 32.46 31.70 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 -0.48 2.99 -0.57 -0.14 -0.04 -1.26 -4.72 135.00 130.78 1wr3 n PRO 34 Ca 0.00 -2.04 -0.02 0.00 -0.04 0.00 0.00 63.50 61.40 1wr3 n PRO 34 Cb 0.00 -2.79 -0.01 0.00 -0.04 0.00 0.00 33.50 30.66 1wr3 n PRO 34 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wr3 n SER 35 N 4.42 5.43 0.00 3.54 7.64 -1.26 -5.00 113.62 128.38 1wr3 n SER 35 Ca 0.64 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 58.05 1wr3 n SER 35 Cb 0.24 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 1wr3 n SER 35 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21