#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr3 h SER 2 N 0.00 -0.55 -2.90 1.61 0.02 -2.08 -3.39 113.55 106.25 1wr3 h SER 2 Ca 0.00 -0.01 -0.57 0.00 -0.84 0.00 0.00 61.79 60.37 1wr3 h SER 2 Cb 0.00 0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 1wr3 h SER 2 CO 0.00 -0.35 0.91 -2.84 -1.14 0.00 0.00 176.83 173.42 1wr3 s PRO 3 N -5.80 4.22 -0.50 3.45 0.02 -1.26 -4.94 135.00 130.19 1wr3 s PRO 3 Ca -0.16 1.67 -0.26 0.00 0.02 0.00 0.00 61.00 62.27 1wr3 s PRO 3 Cb 0.04 -3.78 -0.06 0.00 0.02 0.00 0.00 34.50 30.71 1wr3 s PRO 3 CO 0.61 -0.73 2.35 -2.14 -0.33 0.00 0.00 177.00 176.77 1wr3 s PRO 4 N 3.55 2.16 -0.18 5.54 0.02 -1.26 -4.90 135.00 139.93 1wr3 s PRO 4 Ca 0.56 1.35 -0.07 0.00 0.02 0.00 0.00 61.00 62.86 1wr3 s PRO 4 Cb -0.22 -4.56 0.08 0.00 0.02 0.00 0.00 34.50 29.82 1wr3 s PRO 4 CO 0.15 -3.21 0.39 -1.17 -0.33 0.00 0.00 177.00 172.83 1wr3 s LEU 5 N 11.86 -0.54 0.67 -5.54 2.96 -1.26 -4.88 118.68 121.95 1wr3 s LEU 5 Ca 0.95 0.90 -0.17 0.00 -0.22 0.00 0.00 54.13 55.59 1wr3 s LEU 5 Cb -0.17 1.21 0.00 0.00 0.50 0.00 0.00 46.19 47.74 1wr3 s LEU 5 CO 0.26 -0.23 1.25 -2.84 -1.32 0.00 0.00 176.35 173.47 1wr3 s PRO 6 N 2.50 2.44 -0.22 0.98 0.02 -1.26 -4.64 135.00 134.83 1wr3 s PRO 6 Ca -0.02 1.93 -0.28 0.00 0.02 0.00 0.00 61.00 62.65 1wr3 s PRO 6 Cb -0.12 -1.85 -0.05 0.00 0.02 0.00 0.00 34.50 32.50 1wr3 s PRO 6 CO -0.12 -1.65 2.23 -2.30 -0.33 0.00 0.00 177.00 174.83 1wr3 n PRO 7 N -2.17 1.96 0.00 5.54 -0.02 -1.26 -2.20 135.00 136.85 1wr3 n PRO 7 Ca 0.15 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1wr3 n PRO 7 Cb 0.49 -3.24 0.00 0.00 -0.02 0.00 0.00 33.50 30.73 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 5.78 1.28 3.69 -1.23 0.00 -1.26 -4.64 105.19 108.81 1wr3 n GLY 8 Ca 0.30 0.00 -0.42 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 -0.98 2.87 0.08 1.61 0.52 -0.94 0.51 118.94 122.62 1wr3 s TRP 9 Ca 0.00 0.82 0.08 0.00 0.02 0.00 0.00 56.10 57.02 1wr3 s TRP 9 Cb 0.00 -3.67 -0.04 0.00 -1.15 0.00 0.00 33.47 28.61 1wr3 s TRP 9 CO 0.00 -2.47 -0.19 -2.00 0.02 0.00 0.00 176.95 172.32 1wr3 s GLU 10 N 2.31 1.89 -0.26 4.98 2.12 0.10 -4.90 118.70 124.95 1wr3 s GLU 10 Ca 0.64 -1.10 -0.17 0.00 0.36 0.00 0.00 54.97 54.70 1wr3 s GLU 10 Cb -0.32 -2.13 -0.03 0.00 0.26 0.00 0.00 34.13 31.91 1wr3 s GLU 10 CO 0.27 0.51 0.48 -2.00 -0.54 0.00 0.00 175.26 173.97 1wr3 s GLU 11 N -1.80 4.06 0.01 4.30 2.12 -1.26 0.32 118.70 126.44 1wr3 s GLU 11 Ca 0.16 0.26 0.03 0.00 0.36 0.00 0.00 54.97 55.78 1wr3 s GLU 11 Cb -0.10 -3.65 -0.01 0.00 0.26 0.00 0.00 34.13 30.63 1wr3 s GLU 11 CO 0.08 -0.32 -0.08 0.21 -0.54 0.00 0.00 175.26 174.61 1wr3 s LYS 12 N 2.20 0.63 -0.10 4.30 2.20 0.62 -4.97 119.74 124.63 1wr3 s LYS 12 Ca 0.20 -0.38 -0.04 0.00 -0.36 0.00 0.00 55.97 55.39 1wr3 s LYS 12 Cb -0.16 -0.59 -0.04 0.00 -1.51 0.00 0.00 37.83 35.54 1wr3 s LYS 12 CO 0.09 0.16 0.05 0.08 -0.36 0.00 0.00 175.35 175.37 1wr3 s VAL 13 N -0.40 4.70 0.09 4.02 1.01 -1.26 0.59 120.40 129.15 1wr3 s VAL 13 Ca 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 1wr3 s VAL 13 Cb -0.04 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.34 1wr3 s VAL 13 CO -0.00 0.60 0.12 -0.90 0.00 0.00 0.00 175.10 174.92 1wr3 n ASP 14 N 2.18 0.11 0.20 3.32 5.75 -1.08 -4.93 116.55 122.09 1wr3 n ASP 14 Ca -0.19 -1.10 0.06 0.00 -0.01 0.00 0.00 54.79 53.54 1wr3 n ASP 14 Cb 0.54 -0.08 0.39 0.00 -1.03 0.00 0.00 41.12 40.94 1wr3 n ASP 14 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1wr3 h ASN 15 N -0.11 0.00 1.50 -1.12 7.08 -2.00 -2.91 115.58 118.03 1wr3 h ASN 15 Ca -0.04 0.00 -0.06 0.00 -3.08 0.00 0.00 56.30 53.12 1wr3 h ASN 15 Cb 0.14 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.37 1wr3 h ASN 15 CO 0.04 0.35 -0.51 -0.07 -2.08 0.00 0.00 177.43 175.15 1wr3 h LEU 16 N 0.00 0.00 0.00 6.14 3.38 -2.04 -3.47 115.31 119.31 1wr3 h LEU 16 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wr3 h LEU 16 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1wr3 h LEU 16 CO 0.05 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.46 1wr3 n GLY 17 N 1.20 1.84 3.48 0.83 0.00 -1.10 -5.08 105.19 106.36 1wr3 n GLY 17 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.67 3.22 -0.41 1.61 0.52 -1.26 -4.87 118.95 117.09 1wr3 s ARG 18 Ca 0.00 -0.83 -0.28 0.00 -0.52 0.00 0.00 55.73 54.10 1wr3 s ARG 18 Cb 0.00 -3.83 -0.02 0.00 0.52 0.00 0.00 34.95 31.62 1wr3 s ARG 18 CO 0.00 -0.58 1.82 0.99 0.02 0.00 0.00 175.30 177.56 1wr3 s THR 19 N 1.68 3.44 0.41 0.02 2.01 -1.26 -2.64 115.64 119.29 1wr3 s THR 19 Ca 0.05 0.41 0.07 0.00 0.31 0.00 0.00 61.69 62.53 1wr3 s THR 19 Cb -0.18 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 1wr3 s THR 19 CO 0.09 -0.53 0.15 -0.72 -0.69 0.00 0.00 174.62 172.93 1wr3 s TYR 20 N 7.59 2.60 -0.10 4.92 1.13 0.20 -4.72 117.35 128.97 1wr3 s TYR 20 Ca 0.77 -0.58 0.03 0.00 -1.41 0.00 0.00 57.07 55.88 1wr3 s TYR 20 Cb -0.19 -1.91 -0.01 0.00 -1.10 0.00 0.00 41.96 38.75 1wr3 s TYR 20 CO 0.30 0.23 -0.21 0.71 -2.51 0.00 0.00 175.55 174.07 1wr3 s TYR 21 N -2.60 2.60 -0.25 -3.49 2.02 0.05 -0.27 117.35 115.40 1wr3 s TYR 21 Ca 0.40 -0.89 -0.02 0.00 -0.37 0.00 0.00 57.07 56.20 1wr3 s TYR 21 Cb 0.04 -1.72 0.03 0.00 -0.40 0.00 0.00 41.96 39.91 1wr3 s TYR 21 CO 0.22 -0.33 -0.06 0.54 -1.57 0.00 0.00 175.55 174.35 1wr3 s VAL 22 N 0.23 2.86 0.28 0.71 0.11 0.15 -2.17 120.40 122.58 1wr3 s VAL 22 Ca -0.14 -1.06 -0.29 0.00 -2.93 0.00 0.00 61.98 57.56 1wr3 s VAL 22 Cb -0.17 -2.47 -0.10 0.00 -1.53 0.00 0.00 36.38 32.12 1wr3 s VAL 22 CO 0.07 0.18 1.30 0.21 -3.33 0.00 0.00 175.10 173.52 1wr3 s ASN 23 N 1.32 6.85 0.00 3.54 3.84 0.08 0.01 114.94 130.58 1wr3 s ASN 23 Ca -0.00 2.56 0.23 0.00 0.21 0.00 0.00 52.86 55.87 1wr3 s ASN 23 Cb -0.17 -2.63 0.17 0.00 -0.55 0.00 0.00 41.25 38.06 1wr3 s ASN 23 CO -0.04 -0.50 1.19 1.41 -2.79 0.00 0.00 177.10 176.37 1wr3 n HIS 24 N 1.45 0.00 -0.07 0.43 8.25 0.18 -1.80 115.22 123.67 1wr3 n HIS 24 Ca 0.02 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.42 1wr3 n HIS 24 Cb 0.42 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 31.46 1wr3 n HIS 24 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 1wr3 h ASN 25 N 1.70 0.00 -0.01 0.41 -0.73 -1.82 -3.41 115.58 111.71 1wr3 h ASN 25 Ca 0.00 -0.18 0.00 0.00 1.87 0.00 0.00 56.30 57.99 1wr3 h ASN 25 Cb 0.65 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.24 1wr3 h ASN 25 CO 0.00 0.78 -0.02 -3.20 -0.37 0.00 0.00 177.43 174.62 1wr3 n ASN 26 N -4.65 1.47 -3.48 1.15 2.85 -1.26 -5.02 115.26 106.30 1wr3 n ASN 26 Ca -0.08 -1.23 -0.19 0.00 -0.11 0.00 0.00 54.58 52.97 1wr3 n ASN 26 Cb 0.24 0.08 0.07 0.00 1.24 0.00 0.00 39.78 41.41 1wr3 n ASN 26 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1wr3 n ARG 27 N 0.26 -4.74 -3.32 1.20 1.74 -0.75 -5.00 116.66 106.06 1wr3 n ARG 27 Ca 0.04 0.76 -0.37 0.00 -0.77 0.00 0.00 57.85 57.51 1wr3 n ARG 27 Cb 0.16 -5.54 -0.06 0.00 -1.02 0.00 0.00 32.46 26.01 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 -4.07 6.92 -0.65 0.55 0.01 -1.25 -4.78 113.70 110.43 1wr3 s SER 28 Ca 0.14 1.16 0.05 0.00 1.31 0.00 0.00 55.95 58.61 1wr3 s SER 28 Cb -0.03 -2.32 0.18 0.00 0.21 0.00 0.00 66.02 64.06 1wr3 s SER 28 CO 0.77 0.17 0.50 0.35 0.41 0.00 0.00 173.24 175.44 1wr3 n THR 29 N 1.19 1.21 -4.27 1.44 -2.24 -1.26 -0.74 114.28 109.61 1wr3 n THR 29 Ca -0.07 -4.66 -0.35 0.00 -2.27 0.00 0.00 64.05 56.70 1wr3 n THR 29 Cb 0.51 -2.09 -0.09 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 -1.33 3.20 -0.25 -0.78 -2.07 -0.92 -4.90 119.66 112.61 1wr3 s GLN 30 Ca 0.28 -0.37 0.13 0.00 -1.82 0.00 0.00 55.36 53.58 1wr3 s GLN 30 Cb -0.00 -2.90 0.79 0.00 -1.09 0.00 0.00 33.01 29.80 1wr3 s GLN 30 CO -0.16 0.64 1.73 -2.67 -1.32 0.00 0.00 175.29 173.51 1wr3 n TRP 31 N 2.37 2.13 -0.11 9.60 2.14 -1.26 -0.77 117.44 131.53 1wr3 n TRP 31 Ca -0.18 -0.81 0.07 0.00 2.07 0.00 0.00 57.50 58.64 1wr3 n TRP 31 Cb 0.54 -0.55 0.17 0.00 -0.81 0.00 0.00 31.31 30.66 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 0.44 0.49 -0.95 -2.67 1.44 -1.26 -4.83 115.22 107.88 1wr3 n HIS 32 Ca 0.30 -0.43 0.00 0.00 -2.01 0.00 0.00 57.72 55.58 1wr3 n HIS 32 Cb 1.22 -0.02 0.00 0.00 0.12 0.00 0.00 29.99 31.31 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 0.74 -2.73 -1.98 -1.40 0.63 -1.26 -4.66 116.66 106.01 1wr3 n ARG 33 Ca 0.13 2.03 -0.42 0.00 -0.92 0.00 0.00 57.85 58.67 1wr3 n ARG 33 Cb 0.45 -2.28 0.00 0.00 0.45 0.00 0.00 32.46 31.08 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 -0.89 3.31 -4.26 -0.14 -0.05 -1.26 -4.92 135.00 126.80 1wr3 n PRO 34 Ca 0.00 -3.02 -0.15 0.00 -0.05 0.00 0.00 63.50 60.28 1wr3 n PRO 34 Cb 0.00 -3.07 -0.10 0.00 -0.05 0.00 0.00 33.50 30.28 1wr3 n PRO 34 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 175.50 173.91 1wr3 s SER 35 N 1.98 1.93 0.00 3.54 1.04 -1.26 -4.67 113.70 116.27 1wr3 s SER 35 Ca 0.45 -0.99 0.29 0.00 0.48 0.00 0.00 55.95 56.19 1wr3 s SER 35 Cb 0.13 -0.04 1.37 0.00 0.10 0.00 0.00 66.02 67.58 1wr3 s SER 35 CO -0.05 -0.28 1.92 0.18 0.98 0.00 0.00 173.24 175.99