#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c55 h SER 3 N 3.25 0.56 -0.74 0.00 4.64 -2.03 -3.35 113.55 115.89 1c55 h SER 3 Ca -0.12 -0.93 -0.42 0.00 -0.47 0.00 0.00 61.79 59.86 1c55 h SER 3 Cb 1.08 -0.18 -0.16 0.00 -0.31 0.00 0.00 62.40 62.83 1c55 h SER 3 CO 0.18 1.80 0.44 0.35 -0.87 0.00 0.00 176.83 178.72 1c55 n THR 4 N -3.56 3.05 -3.65 2.95 -2.24 -1.26 -4.86 114.28 104.70 1c55 n THR 4 Ca -0.26 -2.26 -0.39 0.00 -2.27 0.00 0.00 64.05 58.86 1c55 n THR 4 Cb 1.07 -1.43 -0.12 0.00 -2.10 0.00 0.00 70.33 67.76 1c55 n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c55 s LEU 6 N 1.50 1.53 -0.42 0.00 1.43 -0.59 -4.93 118.68 117.19 1c55 s LEU 6 Ca 0.01 0.64 0.03 0.00 -1.03 0.00 0.00 54.13 53.78 1c55 s LEU 6 Cb -0.19 -2.60 0.59 0.00 0.03 0.00 0.00 46.19 44.02 1c55 s LEU 6 CO 0.05 -3.40 1.85 -0.67 0.23 0.00 0.00 176.35 174.41 1c55 n ASP 7 N -4.27 4.00 -4.58 2.29 2.03 -1.26 -4.47 116.55 110.29 1c55 n ASP 7 Ca 0.12 -3.47 -0.26 0.00 0.52 0.00 0.00 54.79 51.71 1c55 n ASP 7 Cb 0.59 -0.82 -0.09 0.00 -0.72 0.00 0.00 41.12 40.08 1c55 n ASP 7 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1c55 s LEU 8 N -3.01 2.99 0.73 -2.67 1.43 -1.26 -5.02 118.68 111.86 1c55 s LEU 8 Ca 0.52 -0.64 -0.09 0.00 -1.03 0.00 0.00 54.13 52.90 1c55 s LEU 8 Cb 0.43 -1.62 0.06 0.00 0.03 0.00 0.00 46.19 45.09 1c55 s LEU 8 CO 0.09 0.07 1.06 0.00 0.23 0.00 0.00 176.35 177.80 1c55 s ALA 9 N -1.93 2.99 0.42 4.21 0.00 -1.26 -1.15 121.76 125.04 1c55 s ALA 9 Ca 0.27 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.51 1c55 s ALA 9 Cb -0.08 -2.75 0.05 0.00 0.00 0.00 0.00 23.12 20.35 1c55 s ALA 9 CO 0.16 -1.35 0.43 0.00 0.00 0.00 0.00 175.76 175.00 1c55 n GLY 11 N -0.05 3.50 3.32 0.00 0.00 -1.26 -5.01 105.19 105.69 1c55 n GLY 11 Ca 0.05 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.98 1c55 n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c55 s ALA 12 N 0.00 2.73 0.06 4.61 0.00 -1.26 -5.03 121.76 122.86 1c55 s ALA 12 Ca 0.00 -1.08 -0.18 0.00 0.00 0.00 0.00 51.96 50.70 1c55 s ALA 12 Cb 0.00 -1.51 -0.08 0.00 0.00 0.00 0.00 23.12 21.53 1c55 s ALA 12 CO 0.00 -0.20 1.29 0.77 0.00 0.00 0.00 175.76 177.62 1c55 h SER 13 N 7.63 -0.85 -1.08 0.00 0.02 -1.99 -0.90 113.55 116.38 1c55 h SER 13 Ca -0.37 0.09 0.29 0.00 -0.84 0.00 0.00 61.79 60.96 1c55 h SER 13 Cb 1.17 0.32 -0.08 0.00 0.14 0.00 0.00 62.40 63.95 1c55 h SER 13 CO 0.60 -0.29 0.72 0.03 -1.14 0.00 0.00 176.83 176.75 1c55 h ARG 14 N -0.38 0.25 0.08 3.45 3.08 -1.95 1.10 114.38 120.00 1c55 h ARG 14 Ca 0.00 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.05 1c55 h ARG 14 Cb 0.39 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1c55 h ARG 14 CO -0.17 0.17 -0.12 1.49 -1.07 0.00 0.00 179.97 180.26 1c55 h GLU 15 N 0.26 -0.24 0.00 0.04 4.57 -1.59 -0.88 114.58 116.74 1c55 h GLU 15 Ca 0.58 0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.72 1c55 h GLU 15 Cb 1.75 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 30.39 1c55 h GLU 15 CO -0.21 -0.16 -0.92 0.00 -1.18 0.00 0.00 179.01 176.54 1c55 h TYR 17 N 0.00 0.67 -0.01 0.00 5.03 0.14 0.54 116.97 123.34 1c55 h TYR 17 Ca -0.05 -0.13 0.02 0.00 2.58 0.00 0.00 58.73 61.16 1c55 h TYR 17 Cb 1.20 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 39.28 1c55 h TYR 17 CO 0.00 0.75 -0.14 0.22 -1.32 0.00 0.00 178.16 177.67 1c55 h ASP 18 N 0.39 -0.42 0.37 -2.11 3.58 -1.30 0.12 116.42 117.06 1c55 h ASP 18 Ca 0.09 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.58 1c55 h ASP 18 Cb 0.52 0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.75 1c55 h ASP 18 CO 0.02 -0.20 -0.18 1.55 -2.88 0.00 0.00 179.24 177.55 1c55 h PRO 19 N -0.24 -0.48 -0.80 0.28 0.13 -1.69 -2.35 132.00 126.84 1c55 h PRO 19 Ca 0.05 0.03 0.22 0.00 -0.87 0.00 0.00 66.00 65.44 1c55 h PRO 19 Cb 0.30 0.11 -0.04 0.00 0.13 0.00 0.00 31.00 31.51 1c55 h PRO 19 CO -0.15 -0.17 0.57 0.00 -0.23 0.00 0.00 178.00 178.02 1c55 h PHE 21 N 0.09 0.77 0.00 0.00 3.57 -0.62 -2.08 116.94 118.67 1c55 h PHE 21 Ca 0.39 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1c55 h PHE 21 Cb 1.42 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.01 1c55 h PHE 21 CO -0.00 1.01 0.00 1.63 -2.23 0.00 0.00 178.31 178.72 1c55 n LYS 22 N -4.27 0.16 0.00 1.11 4.01 0.20 -1.79 118.16 117.58 1c55 n LYS 22 Ca -0.05 0.16 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 1c55 n LYS 22 Cb 0.51 -1.70 0.00 0.00 -0.51 0.00 0.00 35.03 33.34 1c55 n LYS 22 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1c55 n ALA 23 N -1.68 0.00 0.08 7.82 0.00 0.83 -4.69 120.51 122.88 1c55 n ALA 23 Ca 0.06 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.48 1c55 n ALA 23 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.80 1c55 n ALA 23 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1c55 h PHE 24 N 0.00 0.00 0.00 0.00 0.04 -1.57 -3.48 116.94 111.93 1c55 h PHE 24 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1c55 h PHE 24 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1c55 h PHE 24 CO 0.00 0.23 0.00 0.41 -0.60 0.00 0.00 178.31 178.35 1c55 n GLY 25 N 1.26 3.08 3.60 -1.45 0.00 -0.74 -5.01 105.19 105.93 1c55 n GLY 25 Ca -0.04 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 1c55 n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1c55 s ARG 26 N 0.00 3.74 -1.07 1.61 0.52 -1.26 -4.63 118.95 117.86 1c55 s ARG 26 Ca 0.00 0.54 -0.22 0.00 -0.52 0.00 0.00 55.73 55.53 1c55 s ARG 26 Cb 0.00 -3.88 0.06 0.00 0.52 0.00 0.00 34.95 31.65 1c55 s ARG 26 CO 0.00 -1.25 1.49 0.00 0.02 0.00 0.00 175.30 175.56 1c55 s ALA 27 N 4.12 2.86 -0.30 2.13 0.00 -1.26 -4.60 121.76 124.72 1c55 s ALA 27 Ca 0.44 -2.41 -0.07 0.00 0.00 0.00 0.00 51.96 49.92 1c55 s ALA 27 Cb -0.09 -4.53 0.18 0.00 0.00 0.00 0.00 23.12 18.69 1c55 s ALA 27 CO 0.27 -3.52 0.86 -1.58 0.00 0.00 0.00 175.76 171.79 1c55 s HIS 28 N 4.71 -0.99 0.00 0.00 5.04 -1.26 -5.01 115.29 117.78 1c55 s HIS 28 Ca 0.47 0.97 0.00 0.00 -1.54 0.00 0.00 55.06 54.96 1c55 s HIS 28 Cb 0.00 0.32 0.00 0.00 0.04 0.00 0.00 32.58 32.94 1c55 s HIS 28 CO -0.07 -0.54 0.00 0.41 -2.34 0.00 0.00 174.74 172.20 1c55 n GLY 29 N 5.43 3.18 0.00 1.59 0.00 -1.26 -2.59 105.19 111.54 1c55 n GLY 29 Ca -0.03 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1c55 n GLY 29 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1c55 n LYS 30 N 0.00 1.50 -3.98 1.61 4.81 0.51 -4.92 118.16 117.69 1c55 n LYS 30 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.13 1c55 n LYS 30 Cb 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 34.90 1c55 n LYS 30 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1c55 s MET 32 N 1.26 3.84 -1.50 0.00 1.75 0.91 -4.55 119.30 121.00 1c55 s MET 32 Ca -0.04 -0.41 -0.06 0.00 -1.25 0.00 0.00 55.69 53.92 1c55 s MET 32 Cb -0.19 -3.15 0.05 0.00 2.84 0.00 0.00 34.83 34.38 1c55 s MET 32 CO -0.07 0.19 0.56 -1.71 -0.65 0.00 0.00 175.02 173.34 1c55 n ASN 33 N 3.77 -1.50 0.00 1.11 4.05 -1.26 0.13 115.26 121.56 1c55 n ASN 33 Ca -0.17 -0.99 0.00 0.00 0.45 0.00 0.00 54.58 53.87 1c55 n ASN 33 Cb 0.52 -3.02 0.00 0.00 1.23 0.00 0.00 39.78 38.51 1c55 n ASN 33 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1c55 n ASN 34 N -2.88 0.00 -2.16 1.20 5.03 -1.26 -4.96 115.26 110.22 1c55 n ASN 34 Ca -0.17 0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.26 1c55 n ASN 34 Cb 0.62 -0.87 0.00 0.00 -1.02 0.00 0.00 39.78 38.50 1c55 n ASN 34 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1c55 n LYS 35 N -2.00 1.30 -5.20 3.52 5.02 0.35 -2.04 118.16 119.12 1c55 n LYS 35 Ca 0.00 -0.19 -0.31 0.00 -2.02 0.00 0.00 58.31 55.79 1c55 n LYS 35 Cb 0.00 0.01 -0.17 0.00 -0.02 0.00 0.00 35.03 34.85 1c55 n LYS 35 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c55 s ARG 37 N 0.00 1.02 0.38 0.00 3.52 -0.84 -1.54 118.95 121.50 1c55 s ARG 37 Ca -0.08 -0.08 0.01 0.00 -0.13 0.00 0.00 55.73 55.45 1c55 s ARG 37 Cb -0.15 -1.18 -0.02 0.00 -1.56 0.00 0.00 34.95 32.04 1c55 s ARG 37 CO 0.05 -0.23 0.58 0.00 -0.81 0.00 0.00 175.30 174.89 1c55 s TYR 39 N -2.38 1.61 0.00 0.00 1.13 -1.07 -4.54 117.35 112.10 1c55 s TYR 39 Ca 0.44 -0.53 0.00 0.00 -1.41 0.00 0.00 57.07 55.57 1c55 s TYR 39 Cb -0.10 -0.81 0.00 0.00 -1.10 0.00 0.00 41.96 39.95 1c55 s TYR 39 CO 0.36 0.24 0.19 0.25 -2.51 0.00 0.00 175.55 174.08