#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 7.18 -0.90 1.61 0.01 -1.26 -4.96 113.70 115.38 1wr4 s SER 2 Ca 0.00 1.41 -0.24 0.00 1.31 0.00 0.00 55.95 58.43 1wr4 s SER 2 Cb 0.00 -2.45 -0.16 0.00 0.21 0.00 0.00 66.02 63.63 1wr4 s SER 2 CO 0.00 0.08 1.91 -2.65 0.41 0.00 0.00 173.24 172.99 1wr4 n PRO 3 N 2.54 1.27 -1.86 12.44 -0.02 -1.26 -4.70 135.00 143.40 1wr4 n PRO 3 Ca -0.04 -2.02 -0.33 0.00 -2.02 0.00 0.00 63.50 59.08 1wr4 n PRO 3 Cb 0.50 -3.32 0.04 0.00 -0.02 0.00 0.00 33.50 30.70 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 5.27 5.89 3.89 -1.23 0.00 -1.26 -5.00 105.19 112.75 1wr4 n GLY 4 Ca 0.47 -2.52 -0.22 0.00 0.00 0.00 0.00 46.02 43.75 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 -3.81 3.18 1.04 0.99 1.43 -1.26 -5.12 118.68 115.12 1wr4 s LEU 5 Ca 0.55 -0.90 -0.11 0.00 -1.03 0.00 0.00 54.13 52.64 1wr4 s LEU 5 Cb 0.45 -1.77 0.21 0.00 0.03 0.00 0.00 46.19 45.11 1wr4 s LEU 5 CO -0.17 -0.82 1.09 -2.84 0.23 0.00 0.00 176.35 173.84 1wr4 s PRO 6 N -4.21 0.06 0.36 1.29 0.02 -1.26 -4.87 135.00 126.40 1wr4 s PRO 6 Ca 0.45 1.27 0.13 0.00 0.02 0.00 0.00 61.00 62.87 1wr4 s PRO 6 Cb -0.03 -1.64 0.95 0.00 0.02 0.00 0.00 34.50 33.80 1wr4 s PRO 6 CO 0.27 -3.20 1.80 0.77 -0.33 0.00 0.00 177.00 176.31 1wr4 h SER 7 N -2.27 0.58 -0.40 2.53 0.02 -2.00 -1.41 113.55 110.60 1wr4 h SER 7 Ca -0.51 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1wr4 h SER 7 Cb 1.30 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1wr4 h SER 7 CO 0.45 0.19 0.00 0.61 -1.14 0.00 0.00 176.83 176.93 1wr4 n GLY 8 N -1.43 1.79 3.78 -3.77 0.00 -1.26 -4.93 105.19 99.37 1wr4 n GLY 8 Ca 0.23 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.32 3.29 -0.03 1.61 0.52 -0.53 -2.28 118.94 120.20 1wr4 s TRP 9 Ca 0.36 0.22 0.00 0.00 0.02 0.00 0.00 56.10 56.71 1wr4 s TRP 9 Cb 0.21 -1.76 0.03 0.00 -1.15 0.00 0.00 33.47 30.80 1wr4 s TRP 9 CO 0.29 0.55 -0.00 -2.00 0.02 0.00 0.00 176.95 175.80 1wr4 s GLU 10 N -1.59 0.37 -0.32 4.98 2.12 -0.86 -4.61 118.70 118.80 1wr4 s GLU 10 Ca 0.21 0.06 -0.24 0.00 0.36 0.00 0.00 54.97 55.37 1wr4 s GLU 10 Cb -0.12 -0.55 0.00 0.00 0.26 0.00 0.00 34.13 33.72 1wr4 s GLU 10 CO 0.12 -0.14 0.81 -1.83 -0.54 0.00 0.00 175.26 173.68 1wr4 s GLU 11 N 1.08 3.94 0.02 4.30 -1.05 -1.26 -0.75 118.70 124.98 1wr4 s GLU 11 Ca -0.09 0.59 0.00 0.00 -0.15 0.00 0.00 54.97 55.32 1wr4 s GLU 11 Cb -0.14 -3.74 -0.00 0.00 -0.44 0.00 0.00 34.13 29.81 1wr4 s GLU 11 CO -0.02 -0.73 0.00 0.54 0.95 0.00 0.00 175.26 176.01 1wr4 n ARG 12 N 6.30 1.59 -4.74 -4.83 1.74 0.18 -4.89 116.66 112.01 1wr4 n ARG 12 Ca 0.04 -0.14 -0.31 0.00 -0.77 0.00 0.00 57.85 56.68 1wr4 n ARG 12 Cb 0.48 0.05 -0.17 0.00 -1.02 0.00 0.00 32.46 31.80 1wr4 n ARG 12 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1wr4 s LYS 13 N -2.07 2.69 0.09 5.56 2.20 -1.26 -2.16 119.74 124.79 1wr4 s LYS 13 Ca 0.00 -0.74 -0.27 0.00 -0.36 0.00 0.00 55.97 54.60 1wr4 s LYS 13 Cb 0.00 -2.16 -0.14 0.00 -1.51 0.00 0.00 37.83 34.02 1wr4 s LYS 13 CO 0.00 0.02 1.68 0.22 -0.36 0.00 0.00 175.35 176.91 1wr4 h ASP 14 N 7.17 -0.42 0.00 1.43 3.58 -1.11 -3.47 116.42 123.59 1wr4 h ASP 14 Ca -0.29 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.20 1wr4 h ASP 14 Cb 1.20 0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.38 1wr4 h ASP 14 CO 0.51 -0.26 0.00 0.00 -2.88 0.00 0.00 179.24 176.60 1wr4 n ALA 15 N -2.35 0.00 -1.03 -0.78 0.00 -1.26 -4.97 120.51 110.12 1wr4 n ALA 15 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.11 1wr4 n ALA 15 Cb 0.20 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.74 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 2.21 0.00 0.00 5.02 -1.26 -4.79 118.16 119.33 1wr4 n LYS 16 Ca 0.00 -2.47 0.00 0.00 -2.02 0.00 0.00 58.31 53.82 1wr4 n LYS 16 Cb 0.00 -1.97 0.00 0.00 -0.02 0.00 0.00 35.03 33.04 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 -0.46 2.86 3.77 0.72 0.00 -1.26 -4.98 105.19 105.84 1wr4 n GLY 17 Ca 0.48 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.06 4.14 -0.25 1.61 0.52 -1.26 -4.80 118.95 118.85 1wr4 s ARG 18 Ca 0.00 2.53 -0.13 0.00 -0.52 0.00 0.00 55.73 57.61 1wr4 s ARG 18 Cb 0.00 -3.00 -0.04 0.00 0.52 0.00 0.00 34.95 32.43 1wr4 s ARG 18 CO 0.00 -0.53 0.30 0.99 0.02 0.00 0.00 175.30 176.08 1wr4 s THR 19 N -0.72 5.25 0.08 0.02 2.01 -1.26 -0.52 115.64 120.49 1wr4 s THR 19 Ca 0.56 0.44 0.04 0.00 0.31 0.00 0.00 61.69 63.03 1wr4 s THR 19 Cb -0.46 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 1wr4 s THR 19 CO 0.57 0.24 -0.10 -0.72 -0.69 0.00 0.00 174.62 173.91 1wr4 s TYR 20 N 1.62 0.99 -0.24 4.92 1.13 -0.92 -4.92 117.35 119.94 1wr4 s TYR 20 Ca 0.13 -0.59 -0.05 0.00 -1.41 0.00 0.00 57.07 55.14 1wr4 s TYR 20 Cb -0.15 -0.56 -0.01 0.00 -1.10 0.00 0.00 41.96 40.14 1wr4 s TYR 20 CO 0.08 -0.02 0.01 0.71 -2.51 0.00 0.00 175.55 173.83 1wr4 s TYR 21 N -2.02 3.03 -0.25 -3.49 2.02 0.97 -0.64 117.35 116.96 1wr4 s TYR 21 Ca 0.01 -0.76 -0.02 0.00 -0.37 0.00 0.00 57.07 55.93 1wr4 s TYR 21 Cb -0.06 -2.17 0.02 0.00 -0.40 0.00 0.00 41.96 39.36 1wr4 s TYR 21 CO 0.00 -0.48 -0.05 0.54 -1.57 0.00 0.00 175.55 173.99 1wr4 s VAL 22 N 1.53 2.93 -0.43 0.71 0.11 0.07 0.14 120.40 125.46 1wr4 s VAL 22 Ca 0.06 -1.00 -0.25 0.00 -2.93 0.00 0.00 61.98 57.86 1wr4 s VAL 22 Cb -0.15 -2.49 0.02 0.00 -1.53 0.00 0.00 36.38 32.24 1wr4 s VAL 22 CO -0.00 0.20 0.89 0.21 -3.33 0.00 0.00 175.10 173.07 1wr4 s ASN 23 N 1.33 6.52 0.02 3.54 3.84 0.20 -2.02 114.94 128.37 1wr4 s ASN 23 Ca 0.00 0.19 0.28 0.00 0.21 0.00 0.00 52.86 53.55 1wr4 s ASN 23 Cb -0.17 -2.44 1.11 0.00 -0.55 0.00 0.00 41.25 39.21 1wr4 s ASN 23 CO -0.04 -0.97 1.85 1.41 -2.79 0.00 0.00 177.10 176.56 1wr4 n HIS 24 N 6.96 0.07 -0.09 0.43 8.25 -0.97 -0.85 115.22 129.02 1wr4 n HIS 24 Ca 0.05 0.02 -0.13 0.00 -0.26 0.00 0.00 57.72 57.40 1wr4 n HIS 24 Cb 0.48 -0.50 -0.07 0.00 1.12 0.00 0.00 29.99 31.02 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 0.35 0.41 4.21 -1.91 -3.36 115.58 115.28 1wr4 h ASN 25 Ca 0.00 -0.26 0.00 0.00 1.21 0.00 0.00 56.30 57.25 1wr4 h ASN 25 Cb 0.52 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.72 1wr4 h ASN 25 CO 0.00 1.13 -0.09 -3.20 -1.29 0.00 0.00 177.43 173.98 1wr4 n ASN 26 N -4.53 0.42 -3.50 5.81 5.15 -1.25 -4.94 115.26 112.43 1wr4 n ASN 26 Ca -0.20 -0.58 -0.19 0.00 -0.60 0.00 0.00 54.58 53.02 1wr4 n ASN 26 Cb 0.47 -0.09 0.06 0.00 -0.53 0.00 0.00 39.78 39.70 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 -0.96 -4.91 -5.11 1.20 1.74 -0.03 -5.00 116.66 103.58 1wr4 n ARG 27 Ca 0.15 0.75 -0.30 0.00 -0.77 0.00 0.00 57.85 57.69 1wr4 n ARG 27 Cb 0.27 -5.53 -0.16 0.00 -1.02 0.00 0.00 32.46 26.01 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 -3.47 1.84 -0.45 0.55 2.01 -0.64 -4.97 115.64 110.50 1wr4 s THR 28 Ca 0.12 -0.94 -0.12 0.00 0.31 0.00 0.00 61.69 61.06 1wr4 s THR 28 Cb -0.02 -1.56 0.09 0.00 0.01 0.00 0.00 72.50 71.01 1wr4 s THR 28 CO 0.77 0.52 0.33 0.42 -0.69 0.00 0.00 174.62 175.96 1wr4 s THR 29 N -0.05 4.61 -0.12 -0.82 -4.23 -1.26 -0.63 115.64 113.14 1wr4 s THR 29 Ca -0.05 -1.35 0.02 0.00 -1.18 0.00 0.00 61.69 59.13 1wr4 s THR 29 Cb -0.13 -3.83 -0.01 0.00 1.34 0.00 0.00 72.50 69.87 1wr4 s THR 29 CO 0.04 -0.59 -0.18 -0.89 -0.54 0.00 0.00 174.62 172.46 1wr4 s THR 30 N 1.50 2.57 -0.66 3.99 2.01 0.12 -4.98 115.64 120.19 1wr4 s THR 30 Ca 0.04 -0.83 -0.02 0.00 0.31 0.00 0.00 61.69 61.19 1wr4 s THR 30 Cb -0.24 -2.05 0.45 0.00 0.01 0.00 0.00 72.50 70.67 1wr4 s THR 30 CO 0.03 0.54 2.03 0.79 -0.69 0.00 0.00 174.62 177.31 1wr4 n TRP 31 N 3.63 3.23 -3.88 4.92 7.02 -1.26 -0.02 117.44 131.07 1wr4 n TRP 31 Ca -0.19 -3.01 -0.11 0.00 -1.02 0.00 0.00 57.50 53.17 1wr4 n TRP 31 Cb 0.53 -1.44 -0.10 0.00 -2.42 0.00 0.00 31.31 27.88 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 -4.81 0.10 -0.23 -0.99 -1.32 -1.26 -4.96 115.64 102.16 1wr4 s THR 32 Ca 0.65 -0.80 -0.29 0.00 -1.21 0.00 0.00 61.69 60.04 1wr4 s THR 32 Cb 0.51 -0.59 -0.03 0.00 -1.51 0.00 0.00 72.50 70.88 1wr4 s THR 32 CO -0.01 -0.44 1.66 -0.13 -2.21 0.00 0.00 174.62 173.49 1wr4 s ARG 33 N -1.79 3.72 -0.87 7.08 1.81 -1.26 -4.81 118.95 122.83 1wr4 s ARG 33 Ca -0.12 1.64 -0.09 0.00 -1.72 0.00 0.00 55.73 55.45 1wr4 s ARG 33 Cb -0.05 -4.07 -0.07 0.00 -0.45 0.00 0.00 34.95 30.31 1wr4 s ARG 33 CO -0.00 -1.39 2.04 -2.30 -0.68 0.00 0.00 175.30 172.97 1wr4 n PRO 34 N 7.80 1.92 -2.82 3.54 -0.02 -1.26 -4.68 135.00 139.49 1wr4 n PRO 34 Ca 0.20 -1.51 -0.38 0.00 -2.02 0.00 0.00 63.50 59.78 1wr4 n PRO 34 Cb 0.45 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 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 4.59 5.25 0.11 4.25 2.08 -1.26 -4.93 119.36 129.46 1wr4 n ILE 35 Ca 0.44 -5.87 0.01 0.00 0.56 0.00 0.00 62.75 57.90 1wr4 n ILE 35 Cb 0.18 -1.68 0.01 0.00 -0.75 0.00 0.00 39.64 37.41 1wr4 n ILE 35 CO 0.00 0.00 0.00 0.80 0.56 0.00 0.00 176.55 177.91