#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gym n ASP 3 N 0.00 0.00 0.00 2.55 4.64 -1.26 -4.55 116.55 117.93 3gym n ASP 3 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3gym n ASP 3 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3gym n ASP 3 CO 0.00 0.00 0.00 2.22 -0.82 0.00 0.00 177.20 178.60 3gym n PHE 4 N 0.00 0.00 0.08 -0.67 -1.74 -1.26 -2.04 117.46 111.84 3gym n PHE 4 Ca 0.00 0.00 0.01 0.00 -0.56 0.00 0.00 57.45 56.90 3gym n PHE 4 Cb 0.00 -0.38 0.04 0.00 1.52 0.00 0.00 39.48 40.67 3gym n PHE 4 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3gym n LEU 6 N -1.32 0.56 -4.78 0.00 4.32 -0.86 -4.36 117.00 110.56 3gym n LEU 6 Ca 0.01 -0.01 -0.36 0.00 -0.02 0.00 0.00 56.01 55.64 3gym n LEU 6 Cb 0.02 -0.07 -0.03 0.00 -1.62 0.00 0.00 43.42 41.72 3gym n LEU 6 CO 0.01 0.02 0.75 -1.83 -1.22 0.00 0.00 177.39 175.13 3gym s GLU 7 N -3.26 3.84 0.76 3.23 -1.05 -0.37 -4.97 118.70 116.89 3gym s GLU 7 Ca 0.02 1.53 -0.12 0.00 -0.15 0.00 0.00 54.97 56.24 3gym s GLU 7 Cb 0.14 -2.28 0.06 0.00 -0.44 0.00 0.00 34.13 31.60 3gym s GLU 7 CO 0.82 -0.43 1.12 -2.14 0.95 0.00 0.00 175.26 175.59 3gym s PRO 8 N -2.91 2.16 0.32 -4.83 0.02 -1.26 -4.94 135.00 123.57 3gym s PRO 8 Ca 0.64 1.38 -0.29 0.00 0.02 0.00 0.00 61.00 62.75 3gym s PRO 8 Cb -0.22 -1.87 -0.11 0.00 0.02 0.00 0.00 34.50 32.32 3gym s PRO 8 CO 0.26 -1.75 1.55 -0.35 -0.33 0.00 0.00 177.00 176.39 3gym n PRO 9 N -3.24 2.69 -3.90 5.54 -0.04 -1.26 -4.98 135.00 129.81 3gym n PRO 9 Ca 0.11 0.95 -0.35 0.00 -0.04 0.00 0.00 63.50 64.16 3gym n PRO 9 Cb 0.52 -2.71 -0.14 0.00 -0.04 0.00 0.00 33.50 31.13 3gym n PRO 9 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3gym s TYR 10 N -0.42 3.13 0.10 0.54 5.04 -1.26 -4.99 117.35 119.48 3gym s TYR 10 Ca 0.60 -1.48 -0.10 0.00 -2.44 0.00 0.00 57.07 53.65 3gym s TYR 10 Cb -0.49 -2.12 -0.18 0.00 0.35 0.00 0.00 41.96 39.52 3gym s TYR 10 CO 0.54 -0.71 1.23 1.15 -1.34 0.00 0.00 175.55 176.43 3gym h THR 11 N 6.14 1.33 0.00 4.34 2.02 -1.94 -3.43 112.91 121.36 3gym h THR 11 Ca -0.30 -2.36 0.00 0.00 0.77 0.00 0.00 66.41 64.52 3gym h THR 11 Cb 1.10 2.42 0.00 0.00 -1.74 0.00 0.00 68.15 69.94 3gym h THR 11 CO 0.57 0.72 0.00 0.61 0.37 0.00 0.00 175.52 177.79 3gym n GLY 12 N 1.05 -1.63 0.15 2.16 0.00 -1.26 -1.71 105.19 103.96 3gym n GLY 12 Ca -0.09 -1.54 0.01 0.00 0.00 0.00 0.00 46.02 44.40 3gym n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gym h PRO 13 N 0.00 0.00 -7.24 1.61 0.11 -1.95 -3.44 132.00 121.09 3gym h PRO 13 Ca 0.00 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.62 3gym h PRO 13 Cb 0.00 0.00 0.06 0.00 0.11 0.00 0.00 31.00 31.17 3gym h PRO 13 CO 0.00 0.55 0.38 0.00 -0.21 0.00 0.00 178.00 178.72 3gym n LYS 15 N -2.18 2.91 -2.11 0.00 5.02 -1.24 -4.37 118.16 116.18 3gym n LYS 15 Ca 0.08 -3.76 -0.28 0.00 -2.02 0.00 0.00 58.31 52.32 3gym n LYS 15 Cb 0.53 -2.11 0.04 0.00 -0.02 0.00 0.00 35.03 33.47 3gym n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gym s ALA 16 N -3.53 3.07 -0.87 7.82 0.00 -0.61 -5.04 121.76 122.60 3gym s ALA 16 Ca 0.50 -0.52 -0.02 0.00 0.00 0.00 0.00 51.96 51.92 3gym s ALA 16 Cb 0.42 -2.83 0.22 0.00 0.00 0.00 0.00 23.12 20.92 3gym s ALA 16 CO 0.01 -1.02 0.75 0.50 0.00 0.00 0.00 175.76 176.00 3gym s ARG 17 N -5.21 3.21 -0.25 0.00 3.52 -1.26 -4.15 118.95 114.82 3gym s ARG 17 Ca 0.57 -3.24 -0.09 0.00 -0.13 0.00 0.00 55.73 52.84 3gym s ARG 17 Cb -0.11 -3.93 -0.04 0.00 -1.56 0.00 0.00 34.95 29.31 3gym s ARG 17 CO 0.49 -1.26 0.12 0.42 -0.81 0.00 0.00 175.30 174.25 3gym s ILE 18 N -1.28 4.85 -0.08 4.11 1.01 0.07 -4.95 121.20 124.93 3gym s ILE 18 Ca 0.27 0.01 -0.27 0.00 0.00 0.00 0.00 60.65 60.65 3gym s ILE 18 Cb -0.08 -3.27 -0.02 0.00 0.01 0.00 0.00 42.46 39.10 3gym s ILE 18 CO -0.12 0.33 0.89 -0.63 0.00 0.00 0.00 174.94 175.41 3gym s ILE 19 N 1.35 4.89 0.24 2.92 -1.09 -1.26 0.94 121.20 129.19 3gym s ILE 19 Ca 0.06 1.82 0.02 0.00 -2.23 0.00 0.00 60.65 60.32 3gym s ILE 19 Cb -0.15 -4.21 -0.05 0.00 -1.58 0.00 0.00 42.46 36.47 3gym s ILE 19 CO 0.05 0.11 0.04 -0.13 -1.23 0.00 0.00 174.94 173.79 3gym s ARG 20 N 1.50 1.34 -0.02 2.79 1.81 0.18 -4.89 118.95 121.65 3gym s ARG 20 Ca 0.45 -1.70 0.01 0.00 -1.72 0.00 0.00 55.73 52.77 3gym s ARG 20 Cb -0.18 -0.40 -0.03 0.00 -0.45 0.00 0.00 34.95 33.88 3gym s ARG 20 CO 0.19 -0.19 -0.01 0.71 -0.68 0.00 0.00 175.30 175.32 3gym s TYR 21 N -3.61 3.07 0.06 -0.53 2.02 -0.39 0.53 117.35 118.51 3gym s TYR 21 Ca 0.32 0.09 0.02 0.00 -0.37 0.00 0.00 57.07 57.13 3gym s TYR 21 Cb 0.07 -1.69 -0.03 0.00 -0.40 0.00 0.00 41.96 39.91 3gym s TYR 21 CO 0.10 0.45 -0.07 -0.59 -1.57 0.00 0.00 175.55 173.87 3gym s PHE 22 N -1.03 0.73 -0.14 2.71 -0.71 0.87 -0.08 117.98 120.33 3gym s PHE 22 Ca 0.18 -0.67 -0.24 0.00 -1.04 0.00 0.00 56.93 55.16 3gym s PHE 22 Cb -0.11 -0.44 -0.02 0.00 -1.21 0.00 0.00 43.02 41.24 3gym s PHE 22 CO 0.08 -0.12 0.75 -0.47 -1.34 0.00 0.00 175.22 174.12 3gym s TYR 23 N -2.27 3.46 -0.72 3.49 5.04 -1.26 -0.22 117.35 124.88 3gym s TYR 23 Ca -0.02 1.19 -0.17 0.00 -2.44 0.00 0.00 57.07 55.63 3gym s TYR 23 Cb -0.04 -2.91 0.14 0.00 0.35 0.00 0.00 41.96 39.50 3gym s TYR 23 CO -0.02 -0.12 0.79 1.21 -1.34 0.00 0.00 175.55 176.07 3gym s ASN 24 N 1.05 6.42 0.42 4.32 3.84 0.18 -4.85 114.94 126.32 3gym s ASN 24 Ca 0.36 -1.90 0.17 0.00 0.21 0.00 0.00 52.86 51.71 3gym s ASN 24 Cb -0.17 -2.29 0.93 0.00 -0.55 0.00 0.00 41.25 39.16 3gym s ASN 24 CO 0.14 -0.95 1.89 0.00 -2.79 0.00 0.00 177.10 175.39 3gym h ALA 25 N 8.75 1.34 -0.15 1.71 0.00 -1.82 0.38 119.26 129.47 3gym h ALA 25 Ca -0.10 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.38 3gym h ALA 25 Cb 1.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3gym h ALA 25 CO 1.01 0.36 -0.61 -0.22 0.00 0.00 0.00 179.25 179.79 3gym h LYS 26 N 0.00 0.51 0.00 0.00 3.64 -1.94 -3.12 116.57 115.66 3gym h LYS 26 Ca -0.00 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 3gym h LYS 26 Cb 0.57 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3gym h LYS 26 CO 0.04 0.97 -0.35 0.00 -2.27 0.00 0.00 179.45 177.83 3gym h ALA 27 N 0.95 0.82 -4.13 5.00 0.00 -1.75 -3.47 119.26 116.68 3gym h ALA 27 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 3gym h ALA 27 Cb 1.16 0.00 0.08 0.00 0.00 0.00 0.00 17.79 19.04 3gym h ALA 27 CO 0.11 0.00 -0.48 0.41 0.00 0.00 0.00 179.25 179.29 3gym n GLY 28 N 1.17 -0.17 3.05 0.00 0.00 0.04 -5.01 105.19 104.26 3gym n GLY 28 Ca 0.03 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 3gym n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gym s LEU 29 N -5.42 1.72 -0.40 0.99 2.96 -0.94 -5.00 118.68 112.58 3gym s LEU 29 Ca 0.35 -0.16 -0.18 0.00 -0.22 0.00 0.00 54.13 53.91 3gym s LEU 29 Cb -0.16 0.47 0.01 0.00 0.50 0.00 0.00 46.19 47.01 3gym s LEU 29 CO 0.44 -0.27 0.52 0.00 -1.32 0.00 0.00 176.35 175.72 3gym s GLN 31 N 2.42 2.30 -0.01 0.00 2.00 0.70 -4.90 119.66 122.17 3gym s GLN 31 Ca 0.17 -1.00 -0.20 0.00 -2.00 0.00 0.00 55.36 52.34 3gym s GLN 31 Cb -0.16 -2.38 -0.05 0.00 0.80 0.00 0.00 33.01 31.22 3gym s GLN 31 CO 0.15 0.50 0.56 0.95 -0.50 0.00 0.00 175.29 176.95 3gym s THR 32 N -1.36 4.94 0.30 -0.34 -4.23 -1.26 -0.09 115.64 113.59 3gym s THR 32 Ca 0.24 1.17 0.02 0.00 -1.18 0.00 0.00 61.69 61.94 3gym s THR 32 Cb -0.11 -3.89 -0.05 0.00 1.34 0.00 0.00 72.50 69.79 3gym s THR 32 CO 0.16 0.43 0.09 0.72 -0.54 0.00 0.00 174.62 175.49 3gym s PHE 33 N -0.26 1.71 -0.33 3.99 -0.71 0.19 -4.93 117.98 117.63 3gym s PHE 33 Ca 0.30 -1.13 -0.13 0.00 -1.04 0.00 0.00 56.93 54.92 3gym s PHE 33 Cb -0.18 -1.04 -0.02 0.00 -1.21 0.00 0.00 43.02 40.57 3gym s PHE 33 CO 0.16 -0.24 0.27 0.08 -1.34 0.00 0.00 175.22 174.15 3gym s VAL 34 N -3.55 5.26 0.06 -2.49 1.01 -1.26 -0.65 120.40 118.78 3gym s VAL 34 Ca 0.36 -0.11 -0.09 0.00 0.00 0.00 0.00 61.98 62.15 3gym s VAL 34 Cb 0.07 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 3gym s VAL 34 CO 0.15 -0.01 0.37 -0.47 0.00 0.00 0.00 175.10 175.14 3gym s TYR 35 N 1.80 3.58 -0.46 5.22 5.04 0.27 -4.56 117.35 128.24 3gym s TYR 35 Ca 0.08 0.73 0.23 0.00 -2.44 0.00 0.00 57.07 55.67 3gym s TYR 35 Cb -0.17 -2.11 0.10 0.00 0.35 0.00 0.00 41.96 40.13 3gym s TYR 35 CO 0.11 0.54 1.10 0.41 -1.34 0.00 0.00 175.55 176.37 3gym n GLY 36 N 0.95 -1.36 0.00 8.97 0.00 -0.69 -0.75 105.19 112.31 3gym n GLY 36 Ca -0.09 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3gym n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gym n GLY 37 N 1.29 0.91 3.45 -0.02 0.00 -1.26 -1.58 105.19 107.98 3gym n GLY 37 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 3gym n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gym n ARG 39 N -0.37 -1.25 -1.56 0.00 1.74 -1.26 -4.34 116.66 109.62 3gym n ARG 39 Ca -0.15 1.00 -0.50 0.00 -0.77 0.00 0.00 57.85 57.42 3gym n ARG 39 Cb 0.64 -5.30 -0.05 0.00 -1.02 0.00 0.00 32.46 26.74 3gym n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gym n ALA 40 N 0.14 -1.25 -1.18 7.54 0.00 -1.26 -4.88 120.51 119.63 3gym n ALA 40 Ca -0.18 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3gym n ALA 40 Cb 0.59 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.07 3gym n ALA 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gym n LYS 41 N 1.73 0.48 0.05 0.00 4.76 -1.26 -5.02 118.16 118.90 3gym n LYS 41 Ca 0.16 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.66 3gym n LYS 41 Cb 0.22 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.35 3gym n LYS 41 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3gym n ARG 42 N -0.66 0.62 -1.84 1.97 1.74 -1.26 -4.25 116.66 112.98 3gym n ARG 42 Ca 0.00 0.10 -0.41 0.00 -0.77 0.00 0.00 57.85 56.77 3gym n ARG 42 Cb 0.00 -1.75 -0.01 0.00 -1.02 0.00 0.00 32.46 29.68 3gym n ARG 42 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3gym n ASN 43 N -2.69 6.23 -3.16 0.55 5.15 -1.26 -4.75 115.26 115.34 3gym n ASN 43 Ca -0.06 -2.91 0.04 0.00 -0.60 0.00 0.00 54.58 51.05 3gym n ASN 43 Cb 0.69 -1.53 -0.01 0.00 -0.53 0.00 0.00 39.78 38.40 3gym n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3gym s ASN 44 N 1.74 -1.36 0.11 1.20 3.84 -1.25 -4.54 114.94 114.68 3gym s ASN 44 Ca 0.52 0.82 0.09 0.00 0.21 0.00 0.00 52.86 54.50 3gym s ASN 44 Cb 0.15 2.13 -0.04 0.00 -0.55 0.00 0.00 41.25 42.94 3gym s ASN 44 CO -0.06 -0.26 -0.23 -0.36 -2.79 0.00 0.00 177.10 173.40 3gym s PHE 45 N 2.85 1.98 -0.20 0.43 0.08 0.88 -4.94 117.98 119.06 3gym s PHE 45 Ca 0.20 -0.40 0.27 0.00 0.12 0.00 0.00 56.93 57.12 3gym s PHE 45 Cb -0.15 -1.09 0.77 0.00 -0.57 0.00 0.00 43.02 41.98 3gym s PHE 45 CO -0.21 0.24 1.76 0.87 -0.10 0.00 0.00 175.22 177.79 3gym h LYS 46 N 4.07 0.00 -3.53 0.44 6.56 -1.93 -1.02 116.57 121.16 3gym h LYS 46 Ca -0.48 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.00 3gym h LYS 46 Cb 1.17 0.00 -0.18 0.00 -0.57 0.00 0.00 32.23 32.65 3gym h LYS 46 CO 0.40 0.01 -0.41 -1.54 -2.06 0.00 0.00 179.45 175.85 3gym s SER 47 N -6.00 0.02 0.26 0.86 1.04 -1.26 -4.83 113.70 103.80 3gym s SER 47 Ca 0.04 -0.32 -0.03 0.00 0.48 0.00 0.00 55.95 56.12 3gym s SER 47 Cb 0.07 0.27 0.37 0.00 0.10 0.00 0.00 66.02 66.83 3gym s SER 47 CO 0.62 -0.52 1.89 0.00 0.98 0.00 0.00 173.24 176.22 3gym h ALA 48 N 3.63 1.37 0.00 5.32 0.00 -1.97 -2.53 119.26 125.09 3gym h ALA 48 Ca -0.32 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.34 3gym h ALA 48 Cb 1.19 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3gym h ALA 48 CO 0.46 0.49 -1.06 1.05 0.00 0.00 0.00 179.25 180.20 3gym h GLU 49 N 1.22 0.00 -0.59 0.00 4.11 -1.99 -1.37 114.58 115.96 3gym h GLU 49 Ca 0.42 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.97 3gym h GLU 49 Cb 0.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3gym h GLU 49 CO -0.15 0.91 0.40 0.22 0.07 0.00 0.00 179.01 180.47 3gym h ASP 50 N 0.00 0.27 0.06 3.06 3.58 -1.91 -1.18 116.42 120.31 3gym h ASP 50 Ca -0.04 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.41 3gym h ASP 50 Cb 1.78 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.78 3gym h ASP 50 CO 0.12 0.16 -0.03 0.00 -2.88 0.00 0.00 179.24 176.61 3gym h MET 52 N -0.45 0.50 0.29 0.00 2.86 -1.26 0.87 114.93 117.73 3gym h MET 52 Ca -0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3gym h MET 52 Cb 0.06 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.58 3gym h MET 52 CO 0.01 0.33 -0.52 -0.09 1.06 0.00 0.00 176.91 177.70 3gym h ARG 53 N 0.51 -0.83 -0.60 1.72 2.43 -1.34 -2.26 114.38 114.01 3gym h ARG 53 Ca 0.56 0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.82 3gym h ARG 53 Cb 0.99 0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 3gym h ARG 53 CO -0.47 -0.55 0.40 1.15 -1.51 0.00 0.00 179.97 178.98 3gym h THR 54 N -0.86 1.05 0.00 0.20 2.02 -1.02 -3.52 112.91 110.78 3gym h THR 54 Ca -0.03 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.92 3gym h THR 54 Cb 0.81 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3gym h THR 54 CO -0.19 0.12 0.00 0.00 0.37 0.00 0.00 175.52 175.82