#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 5.75 1.11 1.61 1.04 -1.26 -5.09 113.70 116.86 1wr4 s SER 2 Ca 0.00 -1.45 -0.11 0.00 0.48 0.00 0.00 55.95 54.87 1wr4 s SER 2 Cb 0.00 -2.03 0.16 0.00 0.10 0.00 0.00 66.02 64.25 1wr4 s SER 2 CO 0.00 -0.56 0.62 -2.65 0.98 0.00 0.00 173.24 171.63 1wr4 n PRO 3 N 4.98 -1.88 -1.05 4.02 -0.02 -1.26 -4.86 135.00 134.93 1wr4 n PRO 3 Ca -0.11 -0.99 -0.22 0.00 -2.02 0.00 0.00 63.50 60.17 1wr4 n PRO 3 Cb 0.43 -0.86 -0.10 0.00 -0.02 0.00 0.00 33.50 32.95 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 -1.12 3.39 3.15 -1.23 0.00 -1.26 -4.83 105.19 103.29 1wr4 n GLY 4 Ca 0.08 -1.24 -0.15 0.00 0.00 0.00 0.00 46.02 44.71 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 0.07 2.34 0.63 0.99 1.43 -1.26 -5.04 118.68 117.84 1wr4 s LEU 5 Ca 0.63 -0.71 -0.17 0.00 -1.03 0.00 0.00 54.13 52.85 1wr4 s LEU 5 Cb 0.24 -0.32 -0.05 0.00 0.03 0.00 0.00 46.19 46.09 1wr4 s LEU 5 CO -0.02 -0.21 0.81 -2.65 0.23 0.00 0.00 176.35 174.51 1wr4 n PRO 6 N 0.92 0.66 -1.56 1.29 -0.02 -1.26 -4.79 135.00 130.25 1wr4 n PRO 6 Ca -0.19 0.27 -0.22 0.00 -2.02 0.00 0.00 63.50 61.34 1wr4 n PRO 6 Cb 0.56 -2.04 -0.05 0.00 -0.02 0.00 0.00 33.50 31.95 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 -0.61 2.01 0.00 2.55 7.64 -1.26 -0.69 113.62 123.25 1wr4 n SER 7 Ca 0.13 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.89 1wr4 n SER 7 Cb 0.48 -1.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.04 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 6.50 0.96 3.83 0.23 0.00 -1.26 -4.94 105.19 110.51 1wr4 n GLY 8 Ca 0.43 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.03 3.71 -0.06 1.61 0.52 0.13 -0.25 118.94 124.57 1wr4 s TRP 9 Ca 0.00 0.98 0.02 0.00 0.02 0.00 0.00 56.10 57.13 1wr4 s TRP 9 Cb 0.00 -2.31 0.01 0.00 -1.15 0.00 0.00 33.47 30.02 1wr4 s TRP 9 CO 0.00 0.61 -0.13 -2.00 0.02 0.00 0.00 176.95 175.45 1wr4 s GLU 10 N -0.94 1.69 -0.12 4.98 2.12 0.24 -4.76 118.70 121.91 1wr4 s GLU 10 Ca 0.24 -0.43 -0.26 0.00 0.36 0.00 0.00 54.97 54.88 1wr4 s GLU 10 Cb -0.17 -1.41 -0.02 0.00 0.26 0.00 0.00 34.13 32.80 1wr4 s GLU 10 CO 0.13 0.06 0.83 -1.83 -0.54 0.00 0.00 175.26 173.90 1wr4 s GLU 11 N 0.57 4.38 0.27 4.30 4.04 -1.26 -0.41 118.70 130.58 1wr4 s GLU 11 Ca -0.13 1.06 0.03 0.00 0.04 0.00 0.00 54.97 55.96 1wr4 s GLU 11 Cb -0.15 -3.52 -0.04 0.00 0.02 0.00 0.00 34.13 30.44 1wr4 s GLU 11 CO 0.04 -0.19 0.18 1.03 -1.84 0.00 0.00 175.26 174.47 1wr4 s ARG 12 N 1.64 1.47 -0.11 -4.83 0.52 -0.18 -4.99 118.95 112.48 1wr4 s ARG 12 Ca 0.40 -1.82 -0.02 0.00 -0.52 0.00 0.00 55.73 53.77 1wr4 s ARG 12 Cb -0.18 0.16 0.04 0.00 0.52 0.00 0.00 34.95 35.49 1wr4 s ARG 12 CO 0.16 -0.47 0.02 -1.59 0.02 0.00 0.00 175.30 173.44 1wr4 s LYS 13 N -3.86 0.52 0.11 3.54 0.00 -1.26 -0.75 119.74 118.04 1wr4 s LYS 13 Ca 0.38 -0.04 0.01 0.00 0.00 0.00 0.00 55.97 56.32 1wr4 s LYS 13 Cb 0.05 -1.36 -0.04 0.00 0.00 0.00 0.00 37.83 36.49 1wr4 s LYS 13 CO 0.18 -0.44 0.26 0.34 0.00 0.00 0.00 175.35 175.69 1wr4 s ASP 14 N 1.97 6.36 1.00 0.03 2.15 0.47 -4.67 116.67 123.97 1wr4 s ASP 14 Ca 0.03 0.25 0.00 0.00 0.43 0.00 0.00 52.55 53.25 1wr4 s ASP 14 Cb -0.14 -1.95 0.00 0.00 -0.30 0.00 0.00 42.92 40.53 1wr4 s ASP 14 CO -0.06 0.10 0.00 0.00 -0.17 0.00 0.00 175.17 175.04 1wr4 n ALA 15 N -0.15 0.00 -2.57 3.66 0.00 -1.26 -1.19 120.51 119.00 1wr4 n ALA 15 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.10 1wr4 n ALA 15 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 1wr4 n ALA 15 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1wr4 n LYS 16 N 0.00 3.40 -1.13 0.00 2.85 -1.26 -4.84 118.16 117.19 1wr4 n LYS 16 Ca 0.00 -4.53 0.00 0.00 -1.05 0.00 0.00 58.31 52.73 1wr4 n LYS 16 Cb 0.00 -2.26 0.00 0.00 -0.65 0.00 0.00 35.03 32.12 1wr4 n LYS 16 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1wr4 n GLY 17 N -0.40 0.50 3.61 2.58 0.00 -1.10 -4.99 105.19 105.38 1wr4 n GLY 17 Ca 0.38 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.30 3.67 -0.13 1.61 1.81 -0.33 -4.79 118.95 118.49 1wr4 s ARG 18 Ca 0.00 0.87 -0.28 0.00 -1.72 0.00 0.00 55.73 54.59 1wr4 s ARG 18 Cb 0.00 -3.96 -0.01 0.00 -0.45 0.00 0.00 34.95 30.52 1wr4 s ARG 18 CO 0.00 -1.44 0.95 0.99 -0.68 0.00 0.00 175.30 175.12 1wr4 s THR 19 N 4.96 4.81 0.19 0.02 2.01 -1.26 -0.40 115.64 125.98 1wr4 s THR 19 Ca 0.56 1.91 0.00 0.00 0.31 0.00 0.00 61.69 64.48 1wr4 s THR 19 Cb -0.12 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 1wr4 s THR 19 CO 0.31 0.00 0.07 -0.72 -0.69 0.00 0.00 174.62 173.59 1wr4 s TYR 20 N 2.11 1.20 -0.20 4.92 1.13 0.07 -4.95 117.35 121.63 1wr4 s TYR 20 Ca 0.45 -1.19 -0.03 0.00 -1.41 0.00 0.00 57.07 54.90 1wr4 s TYR 20 Cb -0.17 -0.67 -0.00 0.00 -1.10 0.00 0.00 41.96 40.01 1wr4 s TYR 20 CO 0.15 -0.40 -0.08 0.71 -2.51 0.00 0.00 175.55 173.42 1wr4 s TYR 21 N -3.88 2.91 -0.25 -3.49 2.02 0.10 -1.01 117.35 113.77 1wr4 s TYR 21 Ca 0.31 -1.04 -0.04 0.00 -0.37 0.00 0.00 57.07 55.93 1wr4 s TYR 21 Cb 0.07 -2.05 0.00 0.00 -0.40 0.00 0.00 41.96 39.59 1wr4 s TYR 21 CO 0.08 -0.56 -0.02 0.54 -1.57 0.00 0.00 175.55 174.02 1wr4 s VAL 22 N 1.33 3.40 -0.16 0.71 0.11 0.45 -0.27 120.40 125.97 1wr4 s VAL 22 Ca 0.04 -0.67 -0.19 0.00 -2.93 0.00 0.00 61.98 58.23 1wr4 s VAL 22 Cb -0.14 -2.64 -0.03 0.00 -1.53 0.00 0.00 36.38 32.03 1wr4 s VAL 22 CO -0.04 0.28 0.53 0.21 -3.33 0.00 0.00 175.10 172.76 1wr4 s ASN 23 N 1.45 6.65 0.00 3.54 3.84 0.02 -0.59 114.94 129.85 1wr4 s ASN 23 Ca 0.04 0.78 0.23 0.00 0.21 0.00 0.00 52.86 54.12 1wr4 s ASN 23 Cb -0.16 -2.31 0.20 0.00 -0.55 0.00 0.00 41.25 38.44 1wr4 s ASN 23 CO -0.02 -0.13 1.20 1.41 -2.79 0.00 0.00 177.10 176.77 1wr4 n HIS 24 N 4.38 0.00 -0.07 0.43 8.25 0.65 -1.26 115.22 127.60 1wr4 n HIS 24 Ca -0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.31 1wr4 n HIS 24 Cb 0.51 -0.11 -0.07 0.00 1.12 0.00 0.00 29.99 31.43 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 0.43 0.00 0.36 0.41 2.35 -1.93 -3.38 115.58 113.83 1wr4 h ASN 25 Ca 0.00 -0.47 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 1wr4 h ASN 25 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1wr4 h ASN 25 CO 0.00 0.92 -0.50 -3.20 -1.65 0.00 0.00 177.43 173.00 1wr4 n ASN 26 N -4.62 0.74 -3.33 5.81 5.15 -1.26 -4.98 115.26 112.77 1wr4 n ASN 26 Ca -0.11 -0.54 -0.18 0.00 -0.60 0.00 0.00 54.58 53.15 1wr4 n ASN 26 Cb 0.35 0.32 0.07 0.00 -0.53 0.00 0.00 39.78 39.99 1wr4 n ASN 26 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1wr4 n ARG 27 N -1.24 -2.30 -4.60 1.20 1.74 -0.39 -5.02 116.66 106.04 1wr4 n ARG 27 Ca 0.07 0.80 -0.23 0.00 -0.77 0.00 0.00 57.85 57.73 1wr4 n ARG 27 Cb 0.34 -5.57 -0.14 0.00 -1.02 0.00 0.00 32.46 26.07 1wr4 n ARG 27 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1wr4 s THR 28 N -3.40 1.27 -0.47 0.55 2.01 -0.85 -4.96 115.64 109.78 1wr4 s THR 28 Ca 0.44 -0.86 -0.10 0.00 0.31 0.00 0.00 61.69 61.48 1wr4 s THR 28 Cb -0.07 -1.09 0.11 0.00 0.01 0.00 0.00 72.50 71.46 1wr4 s THR 28 CO 0.76 0.22 0.36 0.42 -0.69 0.00 0.00 174.62 175.69 1wr4 s THR 29 N -0.58 4.39 -0.07 -0.82 -4.23 -1.26 -0.80 115.64 112.27 1wr4 s THR 29 Ca 0.05 -1.66 0.01 0.00 -1.18 0.00 0.00 61.69 58.91 1wr4 s THR 29 Cb -0.07 -3.84 -0.03 0.00 1.34 0.00 0.00 72.50 69.90 1wr4 s THR 29 CO 0.00 -0.74 -0.09 -0.89 -0.54 0.00 0.00 174.62 172.36 1wr4 s THR 30 N 1.42 3.47 -0.37 3.99 2.01 0.63 -4.97 115.64 121.82 1wr4 s THR 30 Ca 0.05 -0.56 0.06 0.00 0.31 0.00 0.00 61.69 61.55 1wr4 s THR 30 Cb -0.26 -2.41 0.53 0.00 0.01 0.00 0.00 72.50 70.36 1wr4 s THR 30 CO 0.00 0.59 1.58 0.79 -0.69 0.00 0.00 174.62 176.90 1wr4 n TRP 31 N 2.41 1.89 -4.18 4.92 7.02 -1.26 0.03 117.44 128.26 1wr4 n TRP 31 Ca -0.18 -1.90 -0.11 0.00 -1.02 0.00 0.00 57.50 54.29 1wr4 n TRP 31 Cb 0.53 -0.67 -0.10 0.00 -2.42 0.00 0.00 31.31 28.64 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 -3.60 0.41 -0.29 -0.99 -1.32 -1.26 -4.99 115.64 103.60 1wr4 s THR 32 Ca 0.50 -1.93 -0.29 0.00 -1.21 0.00 0.00 61.69 58.76 1wr4 s THR 32 Cb 0.43 -1.99 -0.00 0.00 -1.51 0.00 0.00 72.50 69.43 1wr4 s THR 32 CO 0.02 -0.56 1.31 -0.13 -2.21 0.00 0.00 174.62 173.05 1wr4 s ARG 33 N -3.96 3.93 0.00 7.08 1.81 -1.26 -4.80 118.95 121.74 1wr4 s ARG 33 Ca 0.21 1.28 -0.30 0.00 -1.72 0.00 0.00 55.73 55.20 1wr4 s ARG 33 Cb 0.07 -3.88 -0.04 0.00 -0.45 0.00 0.00 34.95 30.64 1wr4 s ARG 33 CO 0.01 -1.10 1.21 -2.14 -0.68 0.00 0.00 175.30 172.60 1wr4 s PRO 34 N 4.15 4.38 -0.01 3.54 0.02 -1.26 -4.91 135.00 140.92 1wr4 s PRO 34 Ca 0.57 1.74 0.16 0.00 0.02 0.00 0.00 61.00 63.48 1wr4 s PRO 34 Cb -0.17 -3.47 0.46 0.00 0.02 0.00 0.00 34.50 31.34 1wr4 s PRO 34 CO 0.23 -0.37 1.38 0.44 -0.33 0.00 0.00 177.00 178.35 1wr4 n ILE 35 N 4.31 1.06 -1.52 2.83 -5.35 -1.26 -4.76 119.36 114.67 1wr4 n ILE 35 Ca 0.10 -1.03 0.00 0.00 -0.27 0.00 0.00 62.75 61.55 1wr4 n ILE 35 Cb 0.46 0.47 0.00 0.00 -1.74 0.00 0.00 39.64 38.83 1wr4 n ILE 35 CO 0.00 0.00 0.00 0.80 -1.76 0.00 0.00 176.55 175.59