#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr4 h SER 2 N 0.00 0.09 0.00 1.61 0.02 -1.92 -3.44 113.55 109.92 1wr4 h SER 2 Ca 0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1wr4 h SER 2 Cb 0.00 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1wr4 h SER 2 CO 0.00 0.18 0.00 -2.65 -1.14 0.00 0.00 176.83 173.22 1wr4 n PRO 3 N -4.98 1.94 0.16 3.45 -0.02 -1.26 -4.98 135.00 129.31 1wr4 n PRO 3 Ca -0.06 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.35 1wr4 n PRO 3 Cb 0.08 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.53 1wr4 n PRO 3 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1wr4 h GLY 4 N 0.00 -0.46 -3.29 -1.23 0.00 -2.02 -3.47 103.07 92.59 1wr4 h GLY 4 Ca 0.00 0.17 -0.47 0.00 0.00 0.00 0.00 47.33 47.03 1wr4 h GLY 4 CO 0.00 -0.17 -0.76 1.08 0.00 0.00 0.00 176.54 176.69 1wr4 s LEU 5 N -7.41 2.44 0.71 3.11 1.43 -1.26 -4.88 118.68 112.82 1wr4 s LEU 5 Ca -0.06 -0.87 -0.16 0.00 -1.03 0.00 0.00 54.13 52.01 1wr4 s LEU 5 Cb 0.01 -0.69 0.00 0.00 0.03 0.00 0.00 46.19 45.54 1wr4 s LEU 5 CO 0.19 -0.10 0.99 -2.65 0.23 0.00 0.00 176.35 175.02 1wr4 n PRO 6 N 0.27 0.56 -1.69 1.29 -0.02 -1.26 -4.77 135.00 129.38 1wr4 n PRO 6 Ca -0.13 0.25 -0.21 0.00 -2.02 0.00 0.00 63.50 61.38 1wr4 n PRO 6 Cb 0.58 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.76 1wr4 n PRO 6 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1wr4 s SER 7 N -1.61 4.30 0.00 2.55 0.01 -1.26 -0.93 113.70 116.76 1wr4 s SER 7 Ca 0.74 0.10 0.00 0.00 1.31 0.00 0.00 55.95 58.11 1wr4 s SER 7 Cb -0.35 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.34 1wr4 s SER 7 CO 0.49 -3.41 0.00 0.61 0.41 0.00 0.00 173.24 171.35 1wr4 n GLY 8 N 6.62 0.77 3.84 3.44 0.00 -1.26 -5.03 105.19 113.57 1wr4 n GLY 8 Ca 0.42 0.00 -0.37 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 0.00 3.60 -0.08 1.61 0.52 -0.11 -0.26 118.94 124.22 1wr4 s TRP 9 Ca 0.00 0.64 0.02 0.00 0.02 0.00 0.00 56.10 56.78 1wr4 s TRP 9 Cb 0.00 -2.09 0.01 0.00 -1.15 0.00 0.00 33.47 30.24 1wr4 s TRP 9 CO 0.00 0.62 -0.14 -2.00 0.02 0.00 0.00 176.95 175.45 1wr4 s GLU 10 N -0.74 1.97 -0.43 4.98 2.12 -0.31 -4.73 118.70 121.56 1wr4 s GLU 10 Ca 0.17 -0.49 -0.21 0.00 0.36 0.00 0.00 54.97 54.80 1wr4 s GLU 10 Cb -0.13 -1.65 0.02 0.00 0.26 0.00 0.00 34.13 32.63 1wr4 s GLU 10 CO 0.06 -0.00 0.66 -1.83 -0.54 0.00 0.00 175.26 173.61 1wr4 s GLU 11 N 0.80 3.32 0.39 4.30 -1.05 -1.26 -0.08 118.70 125.12 1wr4 s GLU 11 Ca -0.11 -0.31 0.07 0.00 -0.15 0.00 0.00 54.97 54.47 1wr4 s GLU 11 Cb -0.16 -3.94 -0.00 0.00 -0.44 0.00 0.00 34.13 29.59 1wr4 s GLU 11 CO 0.02 -1.01 0.51 1.03 0.95 0.00 0.00 175.26 176.76 1wr4 s ARG 12 N 2.88 2.90 -0.34 -4.83 0.52 0.86 -4.89 118.95 116.05 1wr4 s ARG 12 Ca 0.24 -1.19 0.01 0.00 -0.52 0.00 0.00 55.73 54.27 1wr4 s ARG 12 Cb -0.14 -2.74 0.11 0.00 0.52 0.00 0.00 34.95 32.70 1wr4 s ARG 12 CO 0.19 -0.14 0.11 0.15 0.02 0.00 0.00 175.30 175.64 1wr4 s LYS 13 N -4.26 1.04 0.09 3.54 3.01 -1.26 -0.97 119.74 120.92 1wr4 s LYS 13 Ca 0.51 -1.47 -0.29 0.00 -1.01 0.00 0.00 55.97 53.70 1wr4 s LYS 13 Cb -0.09 -2.40 -0.05 0.00 -1.01 0.00 0.00 37.83 34.27 1wr4 s LYS 13 CO 0.32 -1.01 0.94 0.34 0.51 0.00 0.00 175.35 176.45 1wr4 s ASP 14 N 1.18 7.44 0.86 2.83 2.15 0.77 -4.33 116.67 127.58 1wr4 s ASP 14 Ca 0.12 1.73 0.00 0.00 0.43 0.00 0.00 52.55 54.82 1wr4 s ASP 14 Cb -0.19 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 1wr4 s ASP 14 CO -0.16 -0.08 0.00 0.00 -0.17 0.00 0.00 175.17 174.76 1wr4 n ALA 15 N 2.92 0.00 1.24 3.66 0.00 -1.26 -1.06 120.51 126.01 1wr4 n ALA 15 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.60 1wr4 n ALA 15 Cb 0.50 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.49 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 0.42 0.00 0.00 2.85 -1.26 -4.83 118.16 115.34 1wr4 n LYS 16 Ca 0.00 -0.14 0.00 0.00 -1.05 0.00 0.00 58.31 57.12 1wr4 n LYS 16 Cb 0.00 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.88 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 1.37 1.97 3.62 2.58 0.00 -0.52 -5.08 105.19 109.12 1wr4 n GLY 17 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.04 3.68 -0.08 1.61 0.52 -0.23 -4.63 118.95 119.78 1wr4 s ARG 18 Ca 0.00 1.32 -0.30 0.00 -0.52 0.00 0.00 55.73 56.24 1wr4 s ARG 18 Cb 0.00 -4.03 -0.03 0.00 0.52 0.00 0.00 34.95 31.42 1wr4 s ARG 18 CO 0.00 -1.44 1.17 0.99 0.02 0.00 0.00 175.30 176.05 1wr4 s THR 19 N 5.39 4.34 0.13 0.02 2.01 -1.25 -0.16 115.64 126.12 1wr4 s THR 19 Ca 0.67 1.65 0.04 0.00 0.31 0.00 0.00 61.69 64.36 1wr4 s THR 19 Cb -0.19 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 1wr4 s THR 19 CO 0.30 -0.02 -0.10 -0.72 -0.69 0.00 0.00 174.62 173.39 1wr4 s TYR 20 N 2.32 1.16 -0.23 4.92 1.13 -0.15 -4.95 117.35 121.56 1wr4 s TYR 20 Ca 0.54 -0.76 -0.06 0.00 -1.41 0.00 0.00 57.07 55.39 1wr4 s TYR 20 Cb -0.23 -0.61 -0.02 0.00 -1.10 0.00 0.00 41.96 40.00 1wr4 s TYR 20 CO 0.20 0.03 0.02 0.71 -2.51 0.00 0.00 175.55 173.99 1wr4 s TYR 21 N -3.16 3.03 -0.29 -3.49 2.02 0.30 -0.10 117.35 115.67 1wr4 s TYR 21 Ca 0.13 -0.59 -0.00 0.00 -0.37 0.00 0.00 57.07 56.24 1wr4 s TYR 21 Cb 0.02 -2.15 0.06 0.00 -0.40 0.00 0.00 41.96 39.48 1wr4 s TYR 21 CO -0.00 -0.38 -0.02 0.54 -1.57 0.00 0.00 175.55 174.11 1wr4 s VAL 22 N 1.40 2.74 0.04 0.71 0.11 0.89 -0.24 120.40 126.05 1wr4 s VAL 22 Ca 0.05 -1.51 -0.30 0.00 -2.93 0.00 0.00 61.98 57.29 1wr4 s VAL 22 Cb -0.15 -2.61 -0.04 0.00 -1.53 0.00 0.00 36.38 32.05 1wr4 s VAL 22 CO 0.01 -0.12 1.01 0.21 -3.33 0.00 0.00 175.10 172.88 1wr4 s ASN 23 N 1.22 7.36 0.00 3.54 3.84 0.10 -1.16 114.94 129.84 1wr4 s ASN 23 Ca -0.05 1.75 0.24 0.00 0.21 0.00 0.00 52.86 55.01 1wr4 s ASN 23 Cb -0.20 -2.58 0.29 0.00 -0.55 0.00 0.00 41.25 38.22 1wr4 s ASN 23 CO -0.03 -0.24 1.27 1.41 -2.79 0.00 0.00 177.10 176.72 1wr4 n HIS 24 N 3.58 0.00 -0.09 0.43 8.25 0.65 -1.19 115.22 126.84 1wr4 n HIS 24 Ca 0.05 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.37 1wr4 n HIS 24 Cb 0.50 -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 0.09 0.64 0.00 0.00 176.34 177.07 1wr4 n ASN 25 N -1.06 1.85 -0.18 0.41 4.13 -1.26 -4.37 115.26 114.78 1wr4 n ASN 25 Ca 0.07 0.51 0.13 0.00 1.68 0.00 0.00 54.58 56.97 1wr4 n ASN 25 Cb 0.36 -0.90 0.38 0.00 -1.54 0.00 0.00 39.78 38.07 1wr4 n ASN 25 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1wr4 n ASN 26 N -4.50 0.85 -2.69 6.41 5.15 -1.26 -4.93 115.26 114.28 1wr4 n ASN 26 Ca -0.22 -0.70 -0.21 0.00 -0.60 0.00 0.00 54.58 52.85 1wr4 n ASN 26 Cb 0.51 0.13 0.01 0.00 -0.53 0.00 0.00 39.78 39.90 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 -0.87 -3.07 -3.01 1.20 5.12 -0.33 -4.95 116.66 110.76 1wr4 n ARG 27 Ca 0.11 0.92 -0.41 0.00 -1.93 0.00 0.00 57.85 56.54 1wr4 n ARG 27 Cb 0.34 -5.66 -0.05 0.00 -1.16 0.00 0.00 32.46 25.93 1wr4 n ARG 27 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1wr4 s THR 28 N -3.06 4.96 -0.50 0.55 -4.23 -1.06 -4.84 115.64 107.47 1wr4 s THR 28 Ca 0.14 1.42 -0.08 0.00 -1.18 0.00 0.00 61.69 61.99 1wr4 s THR 28 Cb -0.06 -4.04 0.13 0.00 1.34 0.00 0.00 72.50 69.86 1wr4 s THR 28 CO 0.17 0.09 0.35 -0.89 -0.54 0.00 0.00 174.62 173.80 1wr4 s THR 29 N 1.88 4.05 0.03 3.99 2.01 -1.26 0.01 115.64 126.35 1wr4 s THR 29 Ca 0.34 -2.01 0.07 0.00 0.31 0.00 0.00 61.69 60.41 1wr4 s THR 29 Cb -0.16 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 1wr4 s THR 29 CO 0.12 -0.79 -0.21 0.28 -0.69 0.00 0.00 174.62 173.33 1wr4 s THR 30 N 1.10 2.54 -0.68 -0.82 -1.32 0.66 -4.97 115.64 112.15 1wr4 s THR 30 Ca 0.08 -1.19 -0.01 0.00 -1.21 0.00 0.00 61.69 59.36 1wr4 s THR 30 Cb -0.24 -2.02 0.43 0.00 -1.51 0.00 0.00 72.50 69.16 1wr4 s THR 30 CO -0.02 0.40 1.97 0.79 -2.21 0.00 0.00 174.62 175.55 1wr4 n TRP 31 N 1.80 3.16 -3.98 9.09 7.02 -1.26 -0.54 117.44 132.74 1wr4 n TRP 31 Ca -0.16 -2.84 -0.09 0.00 -1.02 0.00 0.00 57.50 53.38 1wr4 n TRP 31 Cb 0.52 -1.32 -0.11 0.00 -2.42 0.00 0.00 31.31 27.99 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 -4.88 0.12 -0.24 -0.99 -1.32 -1.26 -5.02 115.64 102.05 1wr4 s THR 32 Ca 0.61 -0.98 -0.29 0.00 -1.21 0.00 0.00 61.69 59.82 1wr4 s THR 32 Cb 0.49 -0.41 -0.00 0.00 -1.51 0.00 0.00 72.50 71.06 1wr4 s THR 32 CO -0.10 -0.54 1.27 -0.13 -2.21 0.00 0.00 174.62 172.92 1wr4 s ARG 33 N -1.71 4.07 -0.06 7.08 1.81 -1.26 -4.79 118.95 124.09 1wr4 s ARG 33 Ca -0.13 1.43 -0.35 0.00 -1.72 0.00 0.00 55.73 54.96 1wr4 s ARG 33 Cb -0.08 -3.82 -0.13 0.00 -0.45 0.00 0.00 34.95 30.48 1wr4 s ARG 33 CO -0.02 -0.92 1.79 -2.30 -0.68 0.00 0.00 175.30 173.18 1wr4 n PRO 34 N 6.96 2.03 -0.92 3.54 -0.02 -1.26 -4.84 135.00 140.49 1wr4 n PRO 34 Ca 0.14 0.74 -0.16 0.00 -2.02 0.00 0.00 63.50 62.20 1wr4 n PRO 34 Cb 0.46 -2.55 0.02 0.00 -0.02 0.00 0.00 33.50 31.41 1wr4 n PRO 34 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1wr4 n ILE 35 N 4.68 2.77 -1.73 4.25 -6.64 -1.26 -4.69 119.36 116.74 1wr4 n ILE 35 Ca 0.22 -1.68 0.00 0.00 -1.77 0.00 0.00 62.75 59.52 1wr4 n ILE 35 Cb 0.27 -1.38 0.00 0.00 -1.44 0.00 0.00 39.64 37.09 1wr4 n ILE 35 CO 0.00 0.00 0.00 1.15 -1.77 0.00 0.00 176.55 175.93