#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr4 s SER 2 N 0.00 0.86 0.00 1.61 0.01 -1.26 -5.14 113.70 109.78 1wr4 s SER 2 Ca 0.00 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 56.98 1wr4 s SER 2 Cb 0.00 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.18 1wr4 s SER 2 CO 0.00 -0.01 0.00 -2.65 0.41 0.00 0.00 173.24 170.99 1wr4 n PRO 3 N 2.37 0.00 -1.99 12.44 -0.02 -1.26 -5.04 135.00 141.50 1wr4 n PRO 3 Ca -0.16 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.30 1wr4 n PRO 3 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.05 1wr4 n PRO 3 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wr4 n GLY 4 N 4.57 -2.14 3.93 -1.23 0.00 -1.26 -5.06 105.19 104.01 1wr4 n GLY 4 Ca 0.00 0.23 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 1wr4 n GLY 4 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wr4 s LEU 5 N -1.14 4.25 1.10 0.99 1.43 -1.26 -5.10 118.68 118.94 1wr4 s LEU 5 Ca 0.05 0.07 -0.15 0.00 -1.03 0.00 0.00 54.13 53.07 1wr4 s LEU 5 Cb -0.01 -2.80 0.15 0.00 0.03 0.00 0.00 46.19 43.55 1wr4 s LEU 5 CO 0.30 -0.00 0.44 -2.65 0.23 0.00 0.00 176.35 174.67 1wr4 n PRO 6 N -0.94 -1.56 0.00 1.29 -0.02 -1.26 -4.83 135.00 127.68 1wr4 n PRO 6 Ca -0.08 -0.43 0.04 0.00 -2.02 0.00 0.00 63.50 61.01 1wr4 n PRO 6 Cb 0.56 -1.91 0.17 0.00 -0.02 0.00 0.00 33.50 32.30 1wr4 n PRO 6 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1wr4 n SER 7 N -2.74 0.00 -0.27 2.55 7.64 -1.26 -1.65 113.62 117.89 1wr4 n SER 7 Ca 0.03 0.37 0.04 0.00 1.01 0.00 0.00 58.87 60.32 1wr4 n SER 7 Cb 0.58 -0.41 0.03 0.00 -1.01 0.00 0.00 64.21 63.39 1wr4 n SER 7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wr4 n GLY 8 N -0.71 -0.68 3.51 0.23 0.00 -1.26 -4.98 105.19 101.29 1wr4 n GLY 8 Ca 0.02 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1wr4 n GLY 8 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wr4 s TRP 9 N -0.66 3.01 -0.10 1.61 0.52 -0.66 -0.37 118.94 122.29 1wr4 s TRP 9 Ca 0.08 -0.27 0.01 0.00 0.02 0.00 0.00 56.10 55.94 1wr4 s TRP 9 Cb 0.06 -1.92 -0.02 0.00 -1.15 0.00 0.00 33.47 30.44 1wr4 s TRP 9 CO 0.10 0.01 -0.14 -2.00 0.02 0.00 0.00 176.95 174.94 1wr4 s GLU 10 N 0.21 3.10 -0.28 4.98 2.12 0.53 -4.56 118.70 124.80 1wr4 s GLU 10 Ca -0.03 -0.69 -0.23 0.00 0.36 0.00 0.00 54.97 54.38 1wr4 s GLU 10 Cb -0.14 -2.54 -0.01 0.00 0.26 0.00 0.00 34.13 31.70 1wr4 s GLU 10 CO 0.03 0.34 0.75 -1.83 -0.54 0.00 0.00 175.26 174.01 1wr4 s GLU 11 N 0.00 4.04 0.49 4.30 -1.05 -1.26 -0.23 118.70 124.99 1wr4 s GLU 11 Ca -0.04 0.64 0.05 0.00 -0.15 0.00 0.00 54.97 55.47 1wr4 s GLU 11 Cb -0.14 -3.69 -0.01 0.00 -0.44 0.00 0.00 34.13 29.85 1wr4 s GLU 11 CO 0.04 -0.57 0.21 1.03 0.95 0.00 0.00 175.26 176.91 1wr4 s ARG 12 N 2.80 2.22 -0.02 -4.83 0.52 0.45 -4.96 118.95 115.13 1wr4 s ARG 12 Ca 0.31 -2.07 -0.00 0.00 -0.52 0.00 0.00 55.73 53.44 1wr4 s ARG 12 Cb -0.15 -1.89 0.02 0.00 0.52 0.00 0.00 34.95 33.46 1wr4 s ARG 12 CO 0.10 -0.37 0.03 -1.59 0.02 0.00 0.00 175.30 173.50 1wr4 s LYS 13 N -4.03 -0.02 -0.14 3.54 0.00 -1.26 -1.30 119.74 116.53 1wr4 s LYS 13 Ca 0.28 0.16 0.02 0.00 0.00 0.00 0.00 55.97 56.43 1wr4 s LYS 13 Cb 0.01 -0.19 0.25 0.00 0.00 0.00 0.00 37.83 37.90 1wr4 s LYS 13 CO 0.16 -0.13 1.25 -3.47 0.00 0.00 0.00 175.35 173.16 1wr4 n ASP 14 N 3.93 3.15 0.00 0.03 2.03 0.49 -4.86 116.55 121.32 1wr4 n ASP 14 Ca -0.24 -2.52 0.00 0.00 0.52 0.00 0.00 54.79 52.55 1wr4 n ASP 14 Cb 0.52 -0.61 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 1wr4 n ASP 14 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wr4 n ALA 15 N -0.02 0.00 -0.54 -1.67 0.00 -1.26 -4.66 120.51 112.36 1wr4 n ALA 15 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.48 1wr4 n ALA 15 Cb 0.85 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.36 1wr4 n ALA 15 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wr4 n LYS 16 N 0.00 1.74 -0.92 0.00 5.02 -1.26 -4.76 118.16 117.98 1wr4 n LYS 16 Ca 0.00 -1.58 0.00 0.00 -2.02 0.00 0.00 58.31 54.71 1wr4 n LYS 16 Cb 0.00 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 1wr4 n LYS 16 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wr4 n GLY 17 N -0.00 0.46 3.52 0.72 0.00 -1.26 -4.94 105.19 103.69 1wr4 n GLY 17 Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 1wr4 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wr4 s ARG 18 N -0.56 3.23 -0.22 1.61 3.00 -1.26 -4.93 118.95 119.82 1wr4 s ARG 18 Ca 0.00 -0.36 -0.20 0.00 0.00 0.00 0.00 55.73 55.17 1wr4 s ARG 18 Cb 0.00 -4.15 -0.03 0.00 0.00 0.00 0.00 34.95 30.77 1wr4 s ARG 18 CO 0.00 -1.88 0.59 0.99 0.00 0.00 0.00 175.30 175.00 1wr4 s THR 19 N 4.82 5.04 0.16 0.02 2.01 -1.26 -0.38 115.64 126.05 1wr4 s THR 19 Ca 0.31 1.07 0.06 0.00 0.31 0.00 0.00 61.69 63.44 1wr4 s THR 19 Cb -0.11 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1wr4 s THR 19 CO 0.16 0.10 -0.13 -0.72 -0.69 0.00 0.00 174.62 173.34 1wr4 s TYR 20 N 2.05 1.46 -0.28 4.92 1.13 -0.42 -4.92 117.35 121.29 1wr4 s TYR 20 Ca 0.26 -0.64 -0.08 0.00 -1.41 0.00 0.00 57.07 55.20 1wr4 s TYR 20 Cb -0.16 -0.72 -0.02 0.00 -1.10 0.00 0.00 41.96 39.97 1wr4 s TYR 20 CO 0.09 0.19 0.10 0.71 -2.51 0.00 0.00 175.55 174.14 1wr4 s TYR 21 N -2.86 3.13 -0.28 -3.49 2.02 0.77 -0.41 117.35 116.22 1wr4 s TYR 21 Ca 0.16 -0.55 -0.05 0.00 -0.37 0.00 0.00 57.07 56.27 1wr4 s TYR 21 Cb -0.01 -2.28 0.02 0.00 -0.40 0.00 0.00 41.96 39.29 1wr4 s TYR 21 CO 0.03 -0.42 0.03 0.54 -1.57 0.00 0.00 175.55 174.16 1wr4 s VAL 22 N 1.60 3.55 -0.12 0.71 0.11 0.68 -0.10 120.40 126.82 1wr4 s VAL 22 Ca 0.05 -0.84 -0.25 0.00 -2.93 0.00 0.00 61.98 58.01 1wr4 s VAL 22 Cb -0.16 -2.83 -0.02 0.00 -1.53 0.00 0.00 36.38 31.84 1wr4 s VAL 22 CO 0.05 0.11 0.82 0.21 -3.33 0.00 0.00 175.10 172.95 1wr4 s ASN 23 N 1.43 7.02 0.08 3.54 3.84 -0.17 -0.35 114.94 130.33 1wr4 s ASN 23 Ca 0.01 1.24 0.26 0.00 0.21 0.00 0.00 52.86 54.59 1wr4 s ASN 23 Cb -0.17 -2.46 0.70 0.00 -0.55 0.00 0.00 41.25 38.77 1wr4 s ASN 23 CO -0.00 -0.30 1.59 1.41 -2.79 0.00 0.00 177.10 177.01 1wr4 n HIS 24 N 4.66 0.37 -0.06 0.43 8.25 0.50 -0.82 115.22 128.56 1wr4 n HIS 24 Ca 0.03 0.11 -0.03 0.00 -0.26 0.00 0.00 57.72 57.57 1wr4 n HIS 24 Cb 0.50 -0.59 -0.01 0.00 1.12 0.00 0.00 29.99 31.01 1wr4 n HIS 24 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 1wr4 h ASN 25 N 0.00 0.00 0.95 0.41 2.35 -1.93 -3.38 115.58 113.98 1wr4 h ASN 25 Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1wr4 h ASN 25 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 1wr4 h ASN 25 CO 0.00 0.63 -0.62 -1.13 -1.65 0.00 0.00 177.43 174.67 1wr4 h ASN 26 N -1.00 0.00 -2.52 5.81 -1.24 -1.93 -3.47 115.58 111.23 1wr4 h ASN 26 Ca -0.01 -0.17 -0.22 0.00 0.71 0.00 0.00 56.30 56.61 1wr4 h ASN 26 Cb 0.24 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.32 1wr4 h ASN 26 CO -0.01 0.09 -0.32 0.54 -1.29 0.00 0.00 177.43 176.44 1wr4 n ARG 27 N -2.21 -2.46 -3.08 6.67 1.74 -0.00 -5.01 116.66 112.31 1wr4 n ARG 27 Ca 0.03 0.49 -0.39 0.00 -0.77 0.00 0.00 57.85 57.21 1wr4 n ARG 27 Cb 0.45 -4.48 -0.05 0.00 -1.02 0.00 0.00 32.46 27.36 1wr4 n ARG 27 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1wr4 s THR 28 N -2.84 4.82 -0.73 0.55 -4.23 -1.13 -4.87 115.64 107.20 1wr4 s THR 28 Ca 0.15 1.46 -0.11 0.00 -1.18 0.00 0.00 61.69 62.01 1wr4 s THR 28 Cb -0.06 -4.04 0.19 0.00 1.34 0.00 0.00 72.50 69.93 1wr4 s THR 28 CO 0.18 0.38 0.64 0.42 -0.54 0.00 0.00 174.62 175.70 1wr4 s THR 29 N -0.06 5.02 -0.23 3.99 -4.23 -1.26 -1.00 115.64 117.87 1wr4 s THR 29 Ca 0.35 -2.47 -0.07 0.00 -1.18 0.00 0.00 61.69 58.33 1wr4 s THR 29 Cb -0.19 -4.16 -0.03 0.00 1.34 0.00 0.00 72.50 69.46 1wr4 s THR 29 CO 0.20 -0.96 0.06 -0.89 -0.54 0.00 0.00 174.62 172.49 1wr4 s THR 30 N 0.30 4.38 -0.58 3.99 2.01 0.86 -4.95 115.64 121.64 1wr4 s THR 30 Ca 0.16 -0.16 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 1wr4 s THR 30 Cb -0.15 -3.03 0.39 0.00 0.01 0.00 0.00 72.50 69.72 1wr4 s THR 30 CO -0.06 0.37 2.04 0.79 -0.69 0.00 0.00 174.62 177.06 1wr4 n TRP 31 N 4.60 2.81 -3.90 4.92 7.02 -1.26 -0.17 117.44 131.45 1wr4 n TRP 31 Ca -0.16 -2.77 -0.08 0.00 -1.02 0.00 0.00 57.50 53.46 1wr4 n TRP 31 Cb 0.52 -1.33 -0.02 0.00 -2.42 0.00 0.00 31.31 28.05 1wr4 n TRP 31 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1wr4 s THR 32 N -4.19 0.00 0.16 -0.99 -1.32 -1.26 -4.99 115.64 103.04 1wr4 s THR 32 Ca 0.56 -1.16 -0.30 0.00 -1.21 0.00 0.00 61.69 59.59 1wr4 s THR 32 Cb 0.44 -2.26 -0.07 0.00 -1.51 0.00 0.00 72.50 69.10 1wr4 s THR 32 CO -0.01 0.00 1.16 -0.13 -2.21 0.00 0.00 174.62 173.43 1wr4 s ARG 33 N -3.60 4.52 0.81 7.08 1.81 -1.26 -4.75 118.95 123.56 1wr4 s ARG 33 Ca 0.16 1.79 -0.11 0.00 -1.72 0.00 0.00 55.73 55.86 1wr4 s ARG 33 Cb -0.04 -3.28 0.17 0.00 -0.45 0.00 0.00 34.95 31.35 1wr4 s ARG 33 CO 0.09 -0.06 0.38 -2.30 -0.68 0.00 0.00 175.30 172.74 1wr4 n PRO 34 N 2.72 -1.62 -3.61 3.54 -0.02 -1.26 -4.15 135.00 130.60 1wr4 n PRO 34 Ca 0.05 -0.64 -0.23 0.00 -2.02 0.00 0.00 63.50 60.65 1wr4 n PRO 34 Cb 0.46 -1.15 0.07 0.00 -0.02 0.00 0.00 33.50 32.86 1wr4 n PRO 34 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1wr4 n ILE 35 N -4.16 -3.72 -1.01 4.25 2.08 -1.26 -5.22 119.36 110.32 1wr4 n ILE 35 Ca 0.06 -0.16 0.00 0.00 0.56 0.00 0.00 62.75 63.21 1wr4 n ILE 35 Cb 0.27 -4.07 0.00 0.00 -0.75 0.00 0.00 39.64 35.08 1wr4 n ILE 35 CO 0.00 0.00 0.00 0.80 0.56 0.00 0.00 176.55 177.91