#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 5.05 0.03 1.61 0.01 -1.26 -5.09 113.70 114.06 1wr4 s SER 2 Ca 0.00 -1.24 -0.30 0.00 1.31 0.00 0.00 55.95 55.71 1wr4 s SER 2 Cb 0.00 -1.77 -0.06 0.00 0.21 0.00 0.00 66.02 64.40 1wr4 s SER 2 CO 0.00 -0.29 1.32 -2.84 0.41 0.00 0.00 173.24 171.84 1wr4 s PRO 3 N 1.30 4.34 0.00 12.44 0.02 -1.26 -4.89 135.00 146.95 1wr4 s PRO 3 Ca -0.04 1.90 0.00 0.00 0.02 0.00 0.00 61.00 62.89 1wr4 s PRO 3 Cb -0.20 -3.45 0.00 0.00 0.02 0.00 0.00 34.50 30.88 1wr4 s PRO 3 CO 0.00 -0.45 0.00 0.41 -0.33 0.00 0.00 177.00 176.63 1wr4 n GLY 4 N 3.47 0.21 3.94 0.52 0.00 -1.26 -5.15 105.19 106.92 1wr4 n GLY 4 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.78 3.52 0.00 0.99 1.43 -1.26 -5.11 118.68 117.46 1wr4 s LEU 5 Ca 0.00 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 1wr4 s LEU 5 Cb 0.00 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.89 1wr4 s LEU 5 CO 0.00 -0.70 0.00 -2.65 0.23 0.00 0.00 176.35 173.23 1wr4 n PRO 6 N -1.69 -1.03 -0.04 1.29 -0.02 -1.26 -4.87 135.00 127.39 1wr4 n PRO 6 Ca 0.06 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.45 1wr4 n PRO 6 Cb 0.60 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.06 1wr4 n PRO 6 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1wr4 h SER 7 N -1.40 -0.07 -0.11 2.55 4.64 -2.01 -3.24 113.55 113.91 1wr4 h SER 7 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1wr4 h SER 7 Cb 0.00 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1wr4 h SER 7 CO 0.00 -0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 1wr4 n GLY 8 N -1.18 4.48 3.87 -0.77 0.00 -1.26 -5.00 105.19 105.33 1wr4 n GLY 8 Ca -0.03 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.78 3.58 -0.07 1.61 0.52 -1.22 -1.22 118.94 119.36 1wr4 s TRP 9 Ca 0.35 0.51 0.00 0.00 0.02 0.00 0.00 56.10 56.98 1wr4 s TRP 9 Cb 0.29 -1.93 0.02 0.00 -1.15 0.00 0.00 33.47 30.71 1wr4 s TRP 9 CO 0.05 0.73 -0.04 -2.00 0.02 0.00 0.00 176.95 175.71 1wr4 s GLU 10 N -1.06 0.94 -0.25 4.98 2.12 -0.76 -4.65 118.70 120.02 1wr4 s GLU 10 Ca 0.15 -0.09 -0.24 0.00 0.36 0.00 0.00 54.97 55.15 1wr4 s GLU 10 Cb -0.12 -1.04 -0.00 0.00 0.26 0.00 0.00 34.13 33.22 1wr4 s GLU 10 CO 0.05 -0.17 0.82 -1.83 -0.54 0.00 0.00 175.26 173.59 1wr4 s GLU 11 N 1.35 4.15 0.00 4.30 -1.05 -1.26 -0.51 118.70 125.68 1wr4 s GLU 11 Ca -0.04 0.89 0.00 0.00 -0.15 0.00 0.00 54.97 55.67 1wr4 s GLU 11 Cb -0.14 -3.66 0.00 0.00 -0.44 0.00 0.00 34.13 29.90 1wr4 s GLU 11 CO -0.03 -0.55 0.00 0.54 0.95 0.00 0.00 175.26 176.18 1wr4 n ARG 12 N 6.05 2.53 -4.09 -4.83 1.74 0.89 -4.92 116.66 114.02 1wr4 n ARG 12 Ca 0.05 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.99 1wr4 n ARG 12 Cb 0.48 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.80 1wr4 n ARG 12 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1wr4 s LYS 13 N -0.83 0.57 0.00 5.56 1.02 -1.26 -1.39 119.74 123.42 1wr4 s LYS 13 Ca 0.00 -0.74 0.00 0.00 0.02 0.00 0.00 55.97 55.25 1wr4 s LYS 13 Cb 0.00 -0.39 0.00 0.00 -0.52 0.00 0.00 37.83 36.92 1wr4 s LYS 13 CO 0.00 0.08 0.00 -0.40 -0.92 0.00 0.00 175.35 174.11 1wr4 n ASP 14 N 1.56 -0.08 0.33 2.83 5.75 -0.58 -4.86 116.55 121.50 1wr4 n ASP 14 Ca -0.22 -0.46 0.22 0.00 -0.01 0.00 0.00 54.79 54.32 1wr4 n ASP 14 Cb 0.55 0.00 1.13 0.00 -1.03 0.00 0.00 41.12 41.77 1wr4 n ASP 14 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wr4 h ALA 15 N -2.00 1.04 0.00 2.12 0.00 -2.02 -3.24 119.26 115.16 1wr4 h ALA 15 Ca 0.00 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 1wr4 h ALA 15 Cb 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1wr4 h ALA 15 CO 0.00 0.00 -1.90 1.63 0.00 0.00 0.00 179.25 178.99 1wr4 n LYS 16 N -3.14 0.37 0.00 0.00 4.76 -1.26 -5.03 118.16 113.86 1wr4 n LYS 16 Ca -0.03 0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 1wr4 n LYS 16 Cb 0.11 -1.12 0.00 0.00 -1.84 0.00 0.00 35.03 32.18 1wr4 n LYS 16 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wr4 n GLY 17 N 1.92 0.00 3.71 0.72 0.00 -1.22 -5.13 105.19 105.18 1wr4 n GLY 17 Ca -0.33 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1wr4 n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wr4 s ARG 18 N 0.00 4.48 -0.40 1.61 3.52 -1.26 -4.73 118.95 122.16 1wr4 s ARG 18 Ca 0.00 1.56 -0.29 0.00 -0.13 0.00 0.00 55.73 56.87 1wr4 s ARG 18 Cb 0.00 -3.45 0.02 0.00 -1.56 0.00 0.00 34.95 29.97 1wr4 s ARG 18 CO 0.00 -0.20 1.09 0.99 -0.81 0.00 0.00 175.30 176.37 1wr4 s THR 19 N 1.30 4.37 0.22 4.11 2.01 -1.26 -1.53 115.64 124.87 1wr4 s THR 19 Ca 0.54 1.41 0.11 0.00 0.31 0.00 0.00 61.69 64.06 1wr4 s THR 19 Cb -0.24 -4.50 -0.05 0.00 0.01 0.00 0.00 72.50 67.73 1wr4 s THR 19 CO 0.26 -0.75 -0.21 -0.72 -0.69 0.00 0.00 174.62 172.51 1wr4 s TYR 20 N 4.02 2.21 -0.23 4.92 1.13 -0.49 -4.94 117.35 123.97 1wr4 s TYR 20 Ca 0.46 -0.37 -0.07 0.00 -1.41 0.00 0.00 57.07 55.68 1wr4 s TYR 20 Cb -0.10 -1.04 -0.03 0.00 -1.10 0.00 0.00 41.96 39.70 1wr4 s TYR 20 CO 0.24 0.56 0.05 0.71 -2.51 0.00 0.00 175.55 174.60 1wr4 s TYR 21 N -2.11 3.09 -0.26 -3.49 2.02 0.17 -0.08 117.35 116.70 1wr4 s TYR 21 Ca 0.24 -0.37 0.02 0.00 -0.37 0.00 0.00 57.07 56.58 1wr4 s TYR 21 Cb -0.06 -2.19 0.05 0.00 -0.40 0.00 0.00 41.96 39.37 1wr4 s TYR 21 CO 0.11 -0.27 -0.10 0.54 -1.57 0.00 0.00 175.55 174.26 1wr4 s VAL 22 N 1.34 2.29 -0.02 0.71 0.11 0.33 -0.40 120.40 124.76 1wr4 s VAL 22 Ca 0.05 -1.52 -0.30 0.00 -2.93 0.00 0.00 61.98 57.28 1wr4 s VAL 22 Cb -0.15 -2.30 -0.03 0.00 -1.53 0.00 0.00 36.38 32.37 1wr4 s VAL 22 CO 0.03 0.02 1.08 0.21 -3.33 0.00 0.00 175.10 173.11 1wr4 s ASN 23 N 1.15 7.21 0.04 3.54 3.84 0.73 -1.82 114.94 129.63 1wr4 s ASN 23 Ca -0.07 1.75 0.23 0.00 0.21 0.00 0.00 52.86 54.98 1wr4 s ASN 23 Cb -0.19 -2.57 -0.03 0.00 -0.55 0.00 0.00 41.25 37.91 1wr4 s ASN 23 CO -0.05 -0.41 0.95 1.41 -2.79 0.00 0.00 177.10 176.20 1wr4 n HIS 24 N 4.38 0.24 -0.01 0.43 8.25 -0.35 -1.10 115.22 127.06 1wr4 n HIS 24 Ca 0.08 0.07 0.09 0.00 -0.26 0.00 0.00 57.72 57.70 1wr4 n HIS 24 Cb 0.48 -0.43 -0.14 0.00 1.12 0.00 0.00 29.99 31.03 1wr4 n HIS 24 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1wr4 n ASN 25 N -1.99 0.88 -0.00 0.41 6.94 -1.26 -4.33 115.26 115.90 1wr4 n ASN 25 Ca 0.01 0.00 0.08 0.00 -0.02 0.00 0.00 54.58 54.65 1wr4 n ASN 25 Cb 0.45 1.80 -0.11 0.00 -2.36 0.00 0.00 39.78 39.57 1wr4 n ASN 25 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1wr4 n ASN 26 N -2.14 1.15 -2.93 0.53 2.85 -1.26 -5.03 115.26 108.44 1wr4 n ASN 26 Ca -0.04 -0.34 -0.13 0.00 -0.11 0.00 0.00 54.58 53.96 1wr4 n ASN 26 Cb 0.48 1.43 0.07 0.00 1.24 0.00 0.00 39.78 43.01 1wr4 n ASN 26 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1wr4 n ARG 27 N -1.77 -5.26 -4.55 1.20 5.12 -0.25 -5.02 116.66 106.12 1wr4 n ARG 27 Ca -0.01 0.67 -0.33 0.00 -1.93 0.00 0.00 57.85 56.25 1wr4 n ARG 27 Cb 0.34 -5.18 -0.14 0.00 -1.16 0.00 0.00 32.46 26.33 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 -3.29 3.28 -0.42 0.55 -4.23 -0.93 -4.93 115.64 105.68 1wr4 s THR 28 Ca 0.00 -0.57 -0.08 0.00 -1.18 0.00 0.00 61.69 59.86 1wr4 s THR 28 Cb -0.00 -2.41 0.09 0.00 1.34 0.00 0.00 72.50 71.52 1wr4 s THR 28 CO 0.58 0.50 0.25 0.42 -0.54 0.00 0.00 174.62 175.83 1wr4 s THR 29 N 0.53 4.01 0.08 3.99 -4.23 -1.26 -0.19 115.64 118.57 1wr4 s THR 29 Ca -0.07 -1.57 0.08 0.00 -1.18 0.00 0.00 61.69 58.95 1wr4 s THR 29 Cb -0.15 -3.52 -0.03 0.00 1.34 0.00 0.00 72.50 70.14 1wr4 s THR 29 CO 0.03 -0.56 -0.21 0.28 -0.54 0.00 0.00 174.62 173.63 1wr4 s THR 30 N 1.36 1.67 -0.54 3.99 -1.32 0.46 -4.99 115.64 116.27 1wr4 s THR 30 Ca 0.04 -1.39 0.01 0.00 -1.21 0.00 0.00 61.69 59.13 1wr4 s THR 30 Cb -0.23 -1.49 0.45 0.00 -1.51 0.00 0.00 72.50 69.71 1wr4 s THR 30 CO 0.00 0.04 1.76 0.79 -2.21 0.00 0.00 174.62 175.00 1wr4 n TRP 31 N 1.40 3.08 -4.10 9.09 7.02 -1.26 -0.66 117.44 132.01 1wr4 n TRP 31 Ca -0.19 -2.77 -0.11 0.00 -1.02 0.00 0.00 57.50 53.41 1wr4 n TRP 31 Cb 0.53 -1.09 -0.11 0.00 -2.42 0.00 0.00 31.31 28.23 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 -4.75 0.57 -0.37 -0.99 -1.32 -1.26 -5.01 115.64 102.50 1wr4 s THR 32 Ca 0.60 -1.47 -0.29 0.00 -1.21 0.00 0.00 61.69 59.33 1wr4 s THR 32 Cb 0.48 -1.09 0.01 0.00 -1.51 0.00 0.00 72.50 70.39 1wr4 s THR 32 CO 0.01 -0.62 1.33 -0.60 -2.21 0.00 0.00 174.62 172.53 1wr4 s ARG 33 N -2.63 3.75 0.65 7.08 6.06 -1.26 -4.81 118.95 127.78 1wr4 s ARG 33 Ca -0.00 1.04 -0.18 0.00 -2.50 0.00 0.00 55.73 54.09 1wr4 s ARG 33 Cb -0.03 -3.95 -0.01 0.00 0.06 0.00 0.00 34.95 31.03 1wr4 s ARG 33 CO -0.02 -1.34 1.25 -2.14 -2.50 0.00 0.00 175.30 170.55 1wr4 s PRO 34 N 4.53 2.60 0.00 5.12 0.02 -1.26 -4.96 135.00 141.06 1wr4 s PRO 34 Ca 0.58 1.94 0.06 0.00 0.02 0.00 0.00 61.00 63.59 1wr4 s PRO 34 Cb -0.14 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.51 1wr4 s PRO 34 CO 0.28 -1.52 0.49 0.44 -0.33 0.00 0.00 177.00 176.36 1wr4 n ILE 35 N -1.96 0.00 -1.34 2.83 -0.00 -1.26 -4.92 119.36 112.72 1wr4 n ILE 35 Ca 0.15 -0.44 0.00 0.00 -0.00 0.00 0.00 62.75 62.46 1wr4 n ILE 35 Cb 0.49 1.07 0.00 0.00 -0.00 0.00 0.00 39.64 41.20 1wr4 n ILE 35 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.55 177.70