#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 -4.56 116.55 117.92 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 0.01 0.00 -1.04 0.00 0.00 41.12 40.09 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 0.15 -0.67 -1.74 -1.26 -2.03 117.46 111.91 3gym n PHE 4 Ca 0.00 0.00 0.02 0.00 -0.56 0.00 0.00 57.45 56.91 3gym n PHE 4 Cb 0.00 -0.34 0.08 0.00 1.52 0.00 0.00 39.48 40.74 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 -1.33 0.61 -4.78 0.00 4.77 -0.86 -4.36 117.00 111.04 3gym n LEU 6 Ca 0.01 -0.02 -0.36 0.00 -0.03 0.00 0.00 56.01 55.61 3gym n LEU 6 Cb 0.03 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 3gym n LEU 6 CO 0.03 0.04 0.75 -1.83 -1.33 0.00 0.00 177.39 175.05 3gym s GLU 7 N -3.21 3.92 0.79 3.23 -1.05 -0.49 -4.97 118.70 116.92 3gym s GLU 7 Ca 0.03 1.54 -0.12 0.00 -0.15 0.00 0.00 54.97 56.27 3gym s GLU 7 Cb 0.14 -2.36 0.07 0.00 -0.44 0.00 0.00 34.13 31.55 3gym s GLU 7 CO 0.81 -0.36 1.14 -2.14 0.95 0.00 0.00 175.26 175.66 3gym s PRO 8 N -2.79 1.95 0.31 -4.83 0.02 -1.26 -4.93 135.00 123.47 3gym s PRO 8 Ca 0.63 1.45 -0.29 0.00 0.02 0.00 0.00 61.00 62.80 3gym s PRO 8 Cb -0.22 -1.84 -0.11 0.00 0.02 0.00 0.00 34.50 32.35 3gym s PRO 8 CO 0.27 -1.92 1.56 -1.25 -0.33 0.00 0.00 177.00 175.33 3gym s PRO 9 N -4.48 4.13 -0.27 5.54 0.04 -1.26 -4.98 135.00 133.72 3gym s PRO 9 Ca 0.67 2.56 -0.03 0.00 0.04 0.00 0.00 61.00 64.24 3gym s PRO 9 Cb -0.22 -3.01 0.03 0.00 0.04 0.00 0.00 34.50 31.34 3gym s PRO 9 CO 0.52 -0.59 -0.01 -0.47 0.04 0.00 0.00 177.00 176.48 3gym s TYR 10 N -0.30 3.14 0.10 0.56 5.04 -1.26 -4.99 117.35 119.63 3gym s TYR 10 Ca 0.60 -1.52 -0.09 0.00 -2.44 0.00 0.00 57.07 53.62 3gym s TYR 10 Cb -0.47 -2.11 -0.17 0.00 0.35 0.00 0.00 41.96 39.56 3gym s TYR 10 CO 0.52 -0.72 1.24 1.15 -1.34 0.00 0.00 175.55 176.40 3gym h THR 11 N 6.17 1.34 0.00 4.34 2.02 -1.94 -3.43 112.91 121.40 3gym h THR 11 Ca -0.29 -2.35 0.00 0.00 0.77 0.00 0.00 66.41 64.54 3gym h THR 11 Cb 1.10 2.40 0.00 0.00 -1.74 0.00 0.00 68.15 69.91 3gym h THR 11 CO 0.57 0.71 0.00 0.61 0.37 0.00 0.00 175.52 177.78 3gym n GLY 12 N 1.02 -1.60 0.13 2.16 0.00 -1.26 -1.68 105.19 103.96 3gym n GLY 12 Ca -0.09 -1.55 -0.01 0.00 0.00 0.00 0.00 46.02 44.37 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 -7.23 1.61 0.11 -1.95 -3.44 132.00 121.10 3gym h PRO 13 Ca 0.00 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.61 3gym h PRO 13 Cb 0.00 0.00 0.07 0.00 0.11 0.00 0.00 31.00 31.18 3gym h PRO 13 CO 0.00 0.63 0.37 0.00 -0.21 0.00 0.00 178.00 178.80 3gym n LYS 15 N -2.28 2.93 -2.22 0.00 5.02 -1.24 -4.37 118.16 116.00 3gym n LYS 15 Ca 0.08 -3.75 -0.27 0.00 -2.02 0.00 0.00 58.31 52.35 3gym n LYS 15 Cb 0.53 -2.13 0.04 0.00 -0.02 0.00 0.00 35.03 33.45 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 -3.54 3.15 -0.85 7.82 0.00 -0.60 -5.04 121.76 122.71 3gym s ALA 16 Ca 0.51 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 3gym s ALA 16 Cb 0.42 -2.72 0.21 0.00 0.00 0.00 0.00 23.12 21.04 3gym s ALA 16 CO 0.01 -1.02 0.72 0.50 0.00 0.00 0.00 175.76 175.97 3gym s ARG 17 N -5.15 3.12 -0.25 0.00 3.52 -1.26 -4.13 118.95 114.79 3gym s ARG 17 Ca 0.56 -3.22 -0.08 0.00 -0.13 0.00 0.00 55.73 52.86 3gym s ARG 17 Cb -0.11 -3.87 -0.04 0.00 -1.56 0.00 0.00 34.95 29.37 3gym s ARG 17 CO 0.47 -1.26 0.11 0.42 -0.81 0.00 0.00 175.30 174.22 3gym s ILE 18 N -1.25 4.66 -0.04 4.11 1.01 -0.00 -4.95 121.20 124.74 3gym s ILE 18 Ca 0.26 -0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.57 3gym s ILE 18 Cb -0.08 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 3gym s ILE 18 CO -0.12 0.32 0.96 -0.63 0.00 0.00 0.00 174.94 175.47 3gym s ILE 19 N 1.55 4.87 0.17 2.92 -1.09 -1.26 0.81 121.20 129.16 3gym s ILE 19 Ca 0.06 1.98 0.01 0.00 -2.23 0.00 0.00 60.65 60.47 3gym s ILE 19 Cb -0.15 -4.29 -0.04 0.00 -1.58 0.00 0.00 42.46 36.40 3gym s ILE 19 CO 0.06 0.13 0.04 -0.13 -1.23 0.00 0.00 174.94 173.80 3gym s ARG 20 N 1.27 1.09 -0.03 2.79 1.81 0.04 -4.90 118.95 121.03 3gym s ARG 20 Ca 0.49 -1.54 0.00 0.00 -1.72 0.00 0.00 55.73 52.97 3gym s ARG 20 Cb -0.20 -0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.20 3gym s ARG 20 CO 0.24 -0.21 0.01 0.71 -0.68 0.00 0.00 175.30 175.37 3gym s TYR 21 N -3.82 3.13 0.08 -0.53 2.02 -0.48 0.38 117.35 118.13 3gym s TYR 21 Ca 0.27 0.14 0.02 0.00 -0.37 0.00 0.00 57.07 57.13 3gym s TYR 21 Cb 0.07 -1.72 -0.04 0.00 -0.40 0.00 0.00 41.96 39.87 3gym s TYR 21 CO 0.05 0.48 -0.08 -0.59 -1.57 0.00 0.00 175.55 173.84 3gym s PHE 22 N -1.03 0.89 -0.16 2.71 -0.71 0.84 -0.07 117.98 120.45 3gym s PHE 22 Ca 0.18 -0.73 -0.21 0.00 -1.04 0.00 0.00 56.93 55.13 3gym s PHE 22 Cb -0.11 -0.51 -0.03 0.00 -1.21 0.00 0.00 43.02 41.16 3gym s PHE 22 CO 0.08 -0.09 0.63 -0.47 -1.34 0.00 0.00 175.22 174.03 3gym s TYR 23 N -2.69 3.43 -0.74 3.49 5.04 -1.26 -0.32 117.35 124.30 3gym s TYR 23 Ca 0.04 0.99 -0.18 0.00 -2.44 0.00 0.00 57.07 55.49 3gym s TYR 23 Cb -0.01 -2.77 0.14 0.00 0.35 0.00 0.00 41.96 39.67 3gym s TYR 23 CO -0.02 -0.08 0.83 1.21 -1.34 0.00 0.00 175.55 176.15 3gym s ASN 24 N 1.04 6.45 0.43 4.32 3.84 0.19 -4.85 114.94 126.36 3gym s ASN 24 Ca 0.30 -1.93 0.19 0.00 0.21 0.00 0.00 52.86 51.63 3gym s ASN 24 Cb -0.16 -2.30 0.98 0.00 -0.55 0.00 0.00 41.25 39.22 3gym s ASN 24 CO 0.12 -0.96 1.91 0.00 -2.79 0.00 0.00 177.10 175.38 3gym h ALA 25 N 8.72 1.33 -0.13 1.71 0.00 -1.82 0.31 119.26 129.38 3gym h ALA 25 Ca -0.07 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 3gym h ALA 25 Cb 1.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3gym h ALA 25 CO 1.01 0.33 -0.63 -0.22 0.00 0.00 0.00 179.25 179.74 3gym h LYS 26 N 0.00 0.47 0.00 0.00 3.64 -1.94 -3.16 116.57 115.57 3gym h LYS 26 Ca -0.00 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3gym h LYS 26 Cb 0.55 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3gym h LYS 26 CO 0.03 0.95 -0.43 0.00 -2.27 0.00 0.00 179.45 177.73 3gym h ALA 27 N 0.97 0.76 -3.93 5.00 0.00 -1.73 -3.47 119.26 116.86 3gym h ALA 27 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.61 3gym h ALA 27 Cb 1.18 0.00 0.07 0.00 0.00 0.00 0.00 17.79 19.05 3gym h ALA 27 CO 0.11 0.00 -0.47 0.41 0.00 0.00 0.00 179.25 179.30 3gym n GLY 28 N 1.21 -0.17 3.07 0.00 0.00 0.01 -5.01 105.19 104.30 3gym n GLY 28 Ca 0.03 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 -5.28 1.58 -0.44 0.99 2.96 -0.96 -5.01 118.68 112.52 3gym s LEU 29 Ca 0.32 -0.07 -0.19 0.00 -0.22 0.00 0.00 54.13 53.97 3gym s LEU 29 Cb -0.14 0.56 0.03 0.00 0.50 0.00 0.00 46.19 47.13 3gym s LEU 29 CO 0.40 -0.26 0.57 0.00 -1.32 0.00 0.00 176.35 175.74 3gym s GLN 31 N 2.55 2.46 0.06 0.00 2.00 0.56 -4.89 119.66 122.40 3gym s GLN 31 Ca 0.18 -0.90 -0.21 0.00 -2.00 0.00 0.00 55.36 52.43 3gym s GLN 31 Cb -0.16 -2.48 -0.06 0.00 0.80 0.00 0.00 33.01 31.11 3gym s GLN 31 CO 0.16 0.52 0.61 0.95 -0.50 0.00 0.00 175.29 177.04 3gym s THR 32 N -1.36 4.75 0.29 -0.34 -4.23 -1.26 -0.11 115.64 113.38 3gym s THR 32 Ca 0.25 1.31 0.02 0.00 -1.18 0.00 0.00 61.69 62.10 3gym s THR 32 Cb -0.11 -3.95 -0.05 0.00 1.34 0.00 0.00 72.50 69.73 3gym s THR 32 CO 0.18 0.49 0.11 0.72 -0.54 0.00 0.00 174.62 175.58 3gym s PHE 33 N -0.73 1.61 -0.32 3.99 -0.71 0.16 -4.92 117.98 117.07 3gym s PHE 33 Ca 0.31 -1.21 -0.13 0.00 -1.04 0.00 0.00 56.93 54.86 3gym s PHE 33 Cb -0.20 -0.95 -0.03 0.00 -1.21 0.00 0.00 43.02 40.64 3gym s PHE 33 CO 0.19 -0.34 0.25 0.08 -1.34 0.00 0.00 175.22 174.07 3gym s VAL 34 N -3.64 5.27 0.06 -2.49 1.01 -1.26 -0.78 120.40 118.57 3gym s VAL 34 Ca 0.36 -0.01 -0.07 0.00 0.00 0.00 0.00 61.98 62.26 3gym s VAL 34 Cb 0.07 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 3gym s VAL 34 CO 0.15 0.06 0.34 -0.47 0.00 0.00 0.00 175.10 175.18 3gym s TYR 35 N 1.80 3.56 -0.47 5.22 5.04 0.24 -4.55 117.35 128.19 3gym s TYR 35 Ca 0.08 0.63 0.23 0.00 -2.44 0.00 0.00 57.07 55.58 3gym s TYR 35 Cb -0.17 -2.05 0.16 0.00 0.35 0.00 0.00 41.96 40.25 3gym s TYR 35 CO 0.11 0.54 1.16 0.78 -1.34 0.00 0.00 175.55 176.80 3gym h GLY 36 N 3.62 0.00 0.00 8.97 0.00 -1.48 0.03 103.07 114.21 3gym h GLY 36 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3gym h GLY 36 CO 0.68 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.83 3gym n GLY 37 N 1.28 0.78 3.41 4.60 0.00 -1.26 -1.55 105.19 112.44 3gym n GLY 37 Ca 0.02 0.00 -0.12 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 -0.30 -1.11 -1.57 0.00 1.74 -1.26 -4.32 116.66 109.83 3gym n ARG 39 Ca -0.17 0.88 -0.49 0.00 -0.77 0.00 0.00 57.85 57.29 3gym n ARG 39 Cb 0.64 -5.11 -0.04 0.00 -1.02 0.00 0.00 32.46 26.93 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 -0.19 -0.91 -1.12 7.54 0.00 -1.26 -4.88 120.51 119.68 3gym n ALA 40 Ca -0.16 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3gym n ALA 40 Cb 0.56 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.99 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 1.79 0.42 0.07 0.00 4.76 -1.26 -5.01 118.16 118.93 3gym n LYS 41 Ca 0.15 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.67 3gym n LYS 41 Cb 0.24 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.39 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 -0.68 0.61 -1.88 1.97 1.74 -1.26 -4.28 116.66 112.88 3gym n ARG 42 Ca 0.00 0.13 -0.41 0.00 -0.77 0.00 0.00 57.85 56.80 3gym n ARG 42 Cb 0.00 -1.80 -0.00 0.00 -1.02 0.00 0.00 32.46 29.63 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 -2.72 5.68 -3.15 0.55 5.15 -1.26 -4.76 115.26 114.75 3gym n ASN 43 Ca -0.04 -2.92 0.04 0.00 -0.60 0.00 0.00 54.58 51.07 3gym n ASN 43 Cb 0.65 -1.54 -0.01 0.00 -0.53 0.00 0.00 39.78 38.34 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 1.88 -1.25 0.11 1.20 3.84 -1.25 -4.54 114.94 114.94 3gym s ASN 44 Ca 0.50 0.69 0.09 0.00 0.21 0.00 0.00 52.86 54.35 3gym s ASN 44 Cb 0.14 2.01 -0.04 0.00 -0.55 0.00 0.00 41.25 42.82 3gym s ASN 44 CO -0.06 -0.23 -0.23 -0.36 -2.79 0.00 0.00 177.10 173.43 3gym s PHE 45 N 2.87 2.00 -0.25 0.43 0.08 0.90 -4.93 117.98 119.08 3gym s PHE 45 Ca 0.16 -0.40 0.27 0.00 0.12 0.00 0.00 56.93 57.08 3gym s PHE 45 Cb -0.13 -1.09 0.75 0.00 -0.57 0.00 0.00 43.02 41.98 3gym s PHE 45 CO -0.20 0.26 1.76 0.87 -0.10 0.00 0.00 175.22 177.81 3gym h LYS 46 N 3.98 0.00 -3.42 0.44 6.56 -1.93 -1.27 116.57 120.93 3gym h LYS 46 Ca -0.48 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 58.99 3gym h LYS 46 Cb 1.18 0.00 -0.18 0.00 -0.57 0.00 0.00 32.23 32.65 3gym h LYS 46 CO 0.40 0.00 -0.37 -1.54 -2.06 0.00 0.00 179.45 175.87 3gym s SER 47 N -5.90 -0.03 0.28 0.86 1.04 -1.26 -4.82 113.70 103.87 3gym s SER 47 Ca 0.05 -0.23 -0.01 0.00 0.48 0.00 0.00 55.95 56.24 3gym s SER 47 Cb 0.07 0.28 0.46 0.00 0.10 0.00 0.00 66.02 66.94 3gym s SER 47 CO 0.61 -0.51 1.88 0.00 0.98 0.00 0.00 173.24 176.20 3gym h ALA 48 N 3.66 1.45 0.01 5.32 0.00 -1.97 -2.53 119.26 125.20 3gym h ALA 48 Ca -0.31 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.35 3gym h ALA 48 Cb 1.19 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3gym h ALA 48 CO 0.45 0.38 -1.16 1.05 0.00 0.00 0.00 179.25 179.97 3gym h GLU 49 N 1.12 0.01 -0.52 0.00 4.11 -1.99 -1.39 114.58 115.93 3gym h GLU 49 Ca 0.44 -0.02 0.11 0.00 0.07 0.00 0.00 59.36 59.96 3gym h GLU 49 Cb 0.25 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 3gym h GLU 49 CO -0.19 0.91 0.35 0.22 0.07 0.00 0.00 179.01 180.37 3gym h ASP 50 N 0.00 0.20 0.04 3.06 3.58 -1.92 -1.10 116.42 120.29 3gym h ASP 50 Ca -0.07 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.38 3gym h ASP 50 Cb 1.83 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.84 3gym h ASP 50 CO 0.12 0.12 -0.02 0.00 -2.88 0.00 0.00 179.24 176.58 3gym h MET 52 N -0.27 0.45 0.21 0.00 2.86 -1.25 0.11 114.93 117.03 3gym h MET 52 Ca -0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3gym h MET 52 Cb 0.05 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 3gym h MET 52 CO 0.01 0.30 -0.49 -0.09 1.06 0.00 0.00 176.91 177.70 3gym h ARG 53 N 0.47 -0.74 -0.68 1.72 2.43 -1.33 -2.34 114.38 113.91 3gym h ARG 53 Ca 0.56 0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.84 3gym h ARG 53 Cb 1.04 0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.72 3gym h ARG 53 CO -0.50 -0.49 0.45 1.15 -1.51 0.00 0.00 179.97 179.07 3gym h THR 54 N -0.77 1.03 0.00 0.20 2.02 -0.98 -3.52 112.91 110.90 3gym h THR 54 Ca -0.02 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.92 3gym h THR 54 Cb 0.74 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3gym h THR 54 CO -0.22 0.13 0.00 0.00 0.37 0.00 0.00 175.52 175.80