#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 0.14 0.19 1.61 0.01 -1.26 -4.98 113.70 109.40 1wr3 s SER 2 Ca 0.00 -0.22 -0.12 0.00 1.31 0.00 0.00 55.95 56.92 1wr3 s SER 2 Cb 0.00 0.04 0.20 0.00 0.21 0.00 0.00 66.02 66.47 1wr3 s SER 2 CO 0.00 -0.13 1.73 -0.65 0.41 0.00 0.00 173.24 174.61 1wr3 h PRO 3 N 5.50 0.29 -7.28 12.44 0.11 -1.85 -3.33 132.00 137.88 1wr3 h PRO 3 Ca -0.28 -0.02 -0.50 0.00 0.11 0.00 0.00 66.00 65.32 1wr3 h PRO 3 Cb 1.21 -0.07 0.05 0.00 0.11 0.00 0.00 31.00 32.31 1wr3 h PRO 3 CO 0.47 0.19 0.39 -2.14 -0.21 0.00 0.00 178.00 176.70 1wr3 s PRO 4 N -6.13 3.53 -0.16 1.05 0.02 -1.26 -4.58 135.00 127.47 1wr3 s PRO 4 Ca -0.13 0.92 -0.29 0.00 0.02 0.00 0.00 61.00 61.53 1wr3 s PRO 4 Cb 0.15 -2.07 -0.05 0.00 0.02 0.00 0.00 34.50 32.55 1wr3 s PRO 4 CO 0.73 -0.62 1.99 -1.17 -0.33 0.00 0.00 177.00 177.59 1wr3 s LEU 5 N -4.81 3.82 0.76 -5.54 2.96 -1.26 -4.96 118.68 109.64 1wr3 s LEU 5 Ca 0.58 2.00 -0.11 0.00 -0.22 0.00 0.00 54.13 56.39 1wr3 s LEU 5 Cb -0.12 -3.52 0.05 0.00 0.50 0.00 0.00 46.19 43.09 1wr3 s LEU 5 CO 0.45 -1.54 1.08 -2.84 -1.32 0.00 0.00 176.35 172.18 1wr3 s PRO 6 N 5.41 2.40 0.37 0.98 0.02 -1.26 -4.96 135.00 137.97 1wr3 s PRO 6 Ca 0.89 1.07 -0.28 0.00 0.02 0.00 0.00 61.00 62.71 1wr3 s PRO 6 Cb -0.33 -1.92 -0.11 0.00 0.02 0.00 0.00 34.50 32.16 1wr3 s PRO 6 CO 0.35 -1.52 1.46 -2.30 -0.33 0.00 0.00 177.00 174.67 1wr3 n PRO 7 N -3.43 2.61 -0.09 5.54 -0.02 -1.26 -2.37 135.00 135.97 1wr3 n PRO 7 Ca 0.08 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 1wr3 n PRO 7 Cb 0.53 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 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 0.50 0.76 3.81 -1.23 0.00 -1.26 -4.98 105.19 102.79 1wr3 n GLY 8 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.37 3.49 -0.01 1.61 0.52 -1.00 0.66 118.94 121.84 1wr3 s TRP 9 Ca 0.00 0.42 0.02 0.00 0.02 0.00 0.00 56.10 56.55 1wr3 s TRP 9 Cb 0.00 -2.00 0.00 0.00 -1.15 0.00 0.00 33.47 30.32 1wr3 s TRP 9 CO 0.00 0.56 -0.05 -2.00 0.02 0.00 0.00 176.95 175.48 1wr3 s GLU 10 N -0.55 0.47 -0.41 4.98 2.12 0.17 -4.93 118.70 120.56 1wr3 s GLU 10 Ca 0.12 -0.17 -0.29 0.00 0.36 0.00 0.00 54.97 54.99 1wr3 s GLU 10 Cb -0.12 -0.47 0.02 0.00 0.26 0.00 0.00 34.13 33.82 1wr3 s GLU 10 CO 0.02 0.08 1.16 -2.00 -0.54 0.00 0.00 175.26 173.99 1wr3 s GLU 11 N 0.04 3.83 -0.06 4.30 2.12 -1.26 0.34 118.70 128.01 1wr3 s GLU 11 Ca -0.00 0.81 0.03 0.00 0.36 0.00 0.00 54.97 56.18 1wr3 s GLU 11 Cb -0.04 -3.87 0.01 0.00 0.26 0.00 0.00 34.13 30.49 1wr3 s GLU 11 CO -0.00 -1.23 -0.15 0.15 -0.54 0.00 0.00 175.26 173.48 1wr3 s LYS 12 N 4.24 1.86 -0.11 4.30 1.02 0.12 -4.95 119.74 126.21 1wr3 s LYS 12 Ca 0.49 -0.53 -0.14 0.00 0.02 0.00 0.00 55.97 55.81 1wr3 s LYS 12 Cb -0.10 -1.54 -0.05 0.00 -0.52 0.00 0.00 37.83 35.62 1wr3 s LYS 12 CO 0.26 0.13 0.33 0.08 -0.92 0.00 0.00 175.35 175.23 1wr3 s VAL 13 N 0.38 5.24 0.43 3.17 1.01 -1.26 -0.08 120.40 129.29 1wr3 s VAL 13 Ca -0.11 0.64 -0.12 0.00 0.00 0.00 0.00 61.98 62.39 1wr3 s VAL 13 Cb -0.14 -3.65 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 1wr3 s VAL 13 CO 0.04 0.45 0.82 -0.62 0.00 0.00 0.00 175.10 175.79 1wr3 s ASP 14 N -0.05 6.55 0.00 3.32 2.15 -0.24 -4.93 116.67 123.47 1wr3 s ASP 14 Ca 0.19 1.25 0.12 0.00 0.43 0.00 0.00 52.55 54.54 1wr3 s ASP 14 Cb -0.14 -2.37 0.53 0.00 -0.30 0.00 0.00 42.92 40.64 1wr3 s ASP 14 CO 0.07 -0.44 1.37 -0.46 -0.17 0.00 0.00 175.17 175.54 1wr3 n ASN 15 N -1.35 0.00 0.00 -0.34 6.94 -1.26 -0.03 115.26 119.22 1wr3 n ASN 15 Ca 0.03 0.43 0.14 0.00 -0.02 0.00 0.00 54.58 55.16 1wr3 n ASN 15 Cb 0.54 -0.46 0.64 0.00 -2.36 0.00 0.00 39.78 38.14 1wr3 n ASN 15 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 1wr3 n LEU 16 N -1.46 0.00 -0.01 -4.53 7.94 -1.26 -4.90 117.00 112.78 1wr3 n LEU 16 Ca 0.03 0.44 0.00 0.00 -1.11 0.00 0.00 56.01 55.38 1wr3 n LEU 16 Cb 0.13 -0.44 0.00 0.00 0.53 0.00 0.00 43.42 43.64 1wr3 n LEU 16 CO 0.11 -0.01 0.00 0.61 -1.11 0.00 0.00 177.39 176.99 1wr3 n GLY 17 N 1.36 1.39 3.21 -3.96 0.00 0.95 -5.06 105.19 103.08 1wr3 n GLY 17 Ca 0.09 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.05 2.39 -0.72 1.61 1.81 -1.16 -4.92 118.95 115.92 1wr3 s ARG 18 Ca 0.00 -1.52 -0.26 0.00 -1.72 0.00 0.00 55.73 52.23 1wr3 s ARG 18 Cb 0.00 -3.61 -0.04 0.00 -0.45 0.00 0.00 34.95 30.85 1wr3 s ARG 18 CO 0.00 -0.92 1.95 0.99 -0.68 0.00 0.00 175.30 176.64 1wr3 s THR 19 N 1.31 3.35 0.46 0.02 2.01 -1.26 -1.08 115.64 120.46 1wr3 s THR 19 Ca 0.03 -0.03 0.08 0.00 0.31 0.00 0.00 61.69 62.08 1wr3 s THR 19 Cb -0.22 -3.87 0.02 0.00 0.01 0.00 0.00 72.50 68.44 1wr3 s THR 19 CO -0.00 -0.84 0.58 -0.72 -0.69 0.00 0.00 174.62 172.95 1wr3 s TYR 20 N 9.88 2.39 -0.24 4.92 1.13 0.88 -4.80 117.35 131.51 1wr3 s TYR 20 Ca 0.71 -0.52 0.01 0.00 -1.41 0.00 0.00 57.07 55.86 1wr3 s TYR 20 Cb -0.11 -2.28 0.04 0.00 -1.10 0.00 0.00 41.96 38.52 1wr3 s TYR 20 CO 0.12 -0.55 -0.11 0.71 -2.51 0.00 0.00 175.55 173.22 1wr3 s TYR 21 N -2.47 3.10 -0.15 -3.49 1.51 0.18 0.12 117.35 116.14 1wr3 s TYR 21 Ca 0.54 -1.90 -0.06 0.00 -1.01 0.00 0.00 57.07 54.64 1wr3 s TYR 21 Cb -0.07 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 1wr3 s TYR 21 CO 0.33 -0.81 0.07 0.54 -1.11 0.00 0.00 175.55 174.57 1wr3 s VAL 22 N 1.22 4.87 0.36 0.71 0.11 0.15 -2.75 120.40 125.08 1wr3 s VAL 22 Ca -0.03 -0.01 -0.13 0.00 -2.93 0.00 0.00 61.98 58.88 1wr3 s VAL 22 Cb -0.17 -3.16 -0.08 0.00 -1.53 0.00 0.00 36.38 31.44 1wr3 s VAL 22 CO -0.06 0.52 0.75 0.21 -3.33 0.00 0.00 175.10 173.18 1wr3 s ASN 23 N -0.12 6.67 -0.11 3.54 3.84 0.33 0.44 114.94 129.53 1wr3 s ASN 23 Ca 0.07 1.22 0.15 0.00 0.21 0.00 0.00 52.86 54.51 1wr3 s ASN 23 Cb -0.12 -2.35 -0.22 0.00 -0.55 0.00 0.00 41.25 38.01 1wr3 s ASN 23 CO 0.01 -0.29 0.17 1.41 -2.79 0.00 0.00 177.10 175.62 1wr3 n HIS 24 N -0.76 0.00 -0.09 0.43 8.25 0.21 -2.56 115.22 120.71 1wr3 n HIS 24 Ca 0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.37 1wr3 n HIS 24 Cb 0.53 -0.63 -0.15 0.00 1.12 0.00 0.00 29.99 30.86 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 -2.40 0.75 -0.04 0.41 0.23 -1.26 -4.39 115.26 108.55 1wr3 n ASN 25 Ca -0.17 0.03 0.02 0.00 -0.53 0.00 0.00 54.58 53.93 1wr3 n ASN 25 Cb 0.80 0.39 -0.14 0.00 -2.08 0.00 0.00 39.78 38.75 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 -2.96 0.70 -3.56 0.53 2.85 -1.26 -5.03 115.26 106.53 1wr3 n ASN 26 Ca -0.34 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 53.94 1wr3 n ASN 26 Cb 1.10 1.47 0.06 0.00 1.24 0.00 0.00 39.78 43.65 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 -2.36 -5.81 -3.06 1.20 5.12 -1.06 -4.97 116.66 105.72 1wr3 n ARG 27 Ca -0.14 0.74 -0.38 0.00 -1.93 0.00 0.00 57.85 56.14 1wr3 n ARG 27 Cb 0.73 -5.54 -0.06 0.00 -1.16 0.00 0.00 32.46 26.44 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 -4.35 7.22 -0.61 0.55 0.01 -1.26 -4.74 113.70 110.52 1wr3 s SER 28 Ca 0.01 1.52 0.05 0.00 1.31 0.00 0.00 55.95 58.83 1wr3 s SER 28 Cb -0.00 -2.45 0.17 0.00 0.21 0.00 0.00 66.02 63.94 1wr3 s SER 28 CO 0.77 0.14 0.45 0.35 0.41 0.00 0.00 173.24 175.36 1wr3 n THR 29 N 1.23 0.70 -4.19 1.44 -2.24 -1.26 -0.51 114.28 109.46 1wr3 n THR 29 Ca -0.05 -4.40 -0.33 0.00 -2.27 0.00 0.00 64.05 57.00 1wr3 n THR 29 Cb 0.50 -2.01 -0.08 0.00 -2.10 0.00 0.00 70.33 66.64 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 -0.99 2.99 -0.31 -0.78 1.03 -1.11 -4.90 119.66 115.58 1wr3 s GLN 30 Ca 0.28 -0.49 0.10 0.00 0.04 0.00 0.00 55.36 55.29 1wr3 s GLN 30 Cb -0.01 -2.81 0.72 0.00 0.03 0.00 0.00 33.01 30.94 1wr3 s GLN 30 CO -0.18 0.66 1.76 0.91 -2.54 0.00 0.00 175.29 175.90 1wr3 n TRP 31 N 1.44 2.28 0.23 9.60 7.02 -1.26 0.50 117.44 137.24 1wr3 n TRP 31 Ca -0.15 -1.21 0.03 0.00 -1.02 0.00 0.00 57.50 55.15 1wr3 n TRP 31 Cb 0.53 -0.65 0.01 0.00 -2.42 0.00 0.00 31.31 28.78 1wr3 n TRP 31 CO 0.00 0.00 0.00 -2.39 -2.02 0.00 0.00 177.69 173.28 1wr3 n HIS 32 N -0.24 0.00 -1.13 -5.99 1.44 -1.26 -4.83 115.22 103.20 1wr3 n HIS 32 Ca 0.39 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.10 1wr3 n HIS 32 Cb 1.34 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.45 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 -0.06 -3.21 -1.59 -1.40 0.63 -1.26 -4.74 116.66 105.03 1wr3 n ARG 33 Ca 0.03 2.35 -0.42 0.00 -0.92 0.00 0.00 57.85 58.88 1wr3 n ARG 33 Cb 0.12 -2.61 -0.03 0.00 0.45 0.00 0.00 32.46 30.39 1wr3 n ARG 33 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1wr3 n PRO 34 N -0.30 1.76 -3.82 -0.14 -0.02 -1.26 -4.92 135.00 126.30 1wr3 n PRO 34 Ca 0.00 0.42 -0.15 0.00 -2.02 0.00 0.00 63.50 61.76 1wr3 n PRO 34 Cb 0.00 -3.26 -0.05 0.00 -0.02 0.00 0.00 33.50 30.17 1wr3 n PRO 34 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1wr3 n SER 35 N 12.48 -0.92 -0.03 2.55 3.41 -1.25 -4.35 113.62 125.51 1wr3 n SER 35 Ca 0.32 -2.79 0.00 0.00 -0.26 0.00 0.00 58.87 56.14 1wr3 n SER 35 Cb 0.46 1.86 0.00 0.00 -0.26 0.00 0.00 64.21 66.27 1wr3 n SER 35 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06