#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gis n GLU 1 N 0.00 0.00 0.00 -1.46 -0.58 -1.26 -4.86 120.64 112.48 3gis n GLU 1 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3gis n GLU 1 Cb 0.00 -3.71 0.00 0.00 -0.57 0.00 0.00 31.44 27.16 3gis n GLU 1 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 3gis n TYR 1 N -2.00 0.00 -4.10 -0.32 9.36 -1.26 -5.02 117.16 113.82 3gis n TYR 1 Ca 0.00 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.89 3gis n TYR 1 Cb 0.00 -0.70 -0.16 0.00 -0.63 0.00 0.00 39.34 37.85 3gis n TYR 1 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 3gis s GLN 1 N -5.25 2.77 0.93 2.98 1.11 -1.26 -5.09 119.66 115.84 3gis s GLN 1 Ca 0.00 -0.91 -0.15 0.00 0.01 0.00 0.00 55.36 54.30 3gis s GLN 1 Cb 0.00 -2.60 0.24 0.00 -1.01 0.00 0.00 33.01 29.64 3gis s GLN 1 CO 0.00 -0.29 0.67 0.25 0.01 0.00 0.00 175.29 175.93 3gis n THR 1 N 4.60 0.00 0.00 -0.19 -2.24 -1.26 -5.10 114.28 110.08 3gis n THR 1 Ca -0.19 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3gis n THR 1 Cb 0.48 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 3gis n THR 1 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3gis n PHE 1 N -4.54 0.00 -3.31 4.78 3.01 -1.26 -5.16 117.46 110.98 3gis n PHE 1 Ca 0.10 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.12 3gis n PHE 1 Cb 0.41 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.80 3gis n PHE 1 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3gis s ASN 1 N 0.00 6.18 0.32 4.37 3.84 -1.26 -4.95 114.94 123.44 3gis s ASN 1 Ca 0.00 -1.06 0.12 0.00 0.21 0.00 0.00 52.86 52.13 3gis s ASN 1 Cb 0.00 -2.22 0.66 0.00 -0.55 0.00 0.00 41.25 39.13 3gis s ASN 1 CO 0.00 -0.70 1.26 -0.81 -2.79 0.00 0.00 177.10 174.05 3gis n PRO 1 N 5.57 0.08 -0.06 0.43 -0.04 -1.26 -0.48 135.00 139.25 3gis n PRO 1 Ca -0.10 0.56 -0.15 0.00 -0.04 0.00 0.00 63.50 63.77 3gis n PRO 1 Cb 0.45 -2.10 -0.04 0.00 -0.04 0.00 0.00 33.50 31.77 3gis n PRO 1 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3gis h ARG 1 N 0.00 0.83 0.00 0.54 2.43 -1.92 -0.99 114.38 115.27 3gis h ARG 1 Ca 0.00 -0.56 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 3gis h ARG 1 Cb 0.65 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 3gis h ARG 1 CO 0.00 1.19 -1.85 0.25 -1.51 0.00 0.00 179.97 178.05 3gis n THR 1 N -3.99 0.00 0.02 0.20 -2.24 0.10 -4.40 114.28 103.97 3gis n THR 1 Ca -0.05 -0.43 0.01 0.00 -2.27 0.00 0.00 64.05 61.31 3gis n THR 1 Cb 0.65 0.10 -0.09 0.00 -2.10 0.00 0.00 70.33 68.89 3gis n THR 1 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3gis n PHE 1 N -2.15 0.76 -0.98 4.78 7.35 0.37 -5.04 117.46 122.56 3gis n PHE 1 Ca -0.03 0.25 0.00 0.00 -0.76 0.00 0.00 57.45 56.91 3gis n PHE 1 Cb 0.50 -1.00 0.00 0.00 0.35 0.00 0.00 39.48 39.33 3gis n PHE 1 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3gis n GLY 1 N 1.40 -2.51 3.98 7.13 0.00 -0.37 -4.97 105.19 109.84 3gis n GLY 1 Ca -0.11 -1.84 -0.20 0.00 0.00 0.00 0.00 46.02 43.87 3gis n GLY 1 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gis s SER 1 N -2.76 5.44 0.00 1.61 1.04 -1.26 -4.37 113.70 113.40 3gis s SER 1 Ca 0.00 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.37 3gis s SER 1 Cb 0.00 -0.92 0.00 0.00 0.10 0.00 0.00 66.02 65.20 3gis s SER 1 CO 0.00 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.84 3gis n GLY 1 N -2.19 1.45 0.15 7.32 0.00 -1.26 -5.01 105.19 105.65 3gis n GLY 1 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 3gis n GLY 1 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gis h GLU 1 N 0.20 0.30 -0.75 1.61 4.81 -1.96 -2.74 114.58 116.05 3gis h GLU 1 Ca 0.00 -0.02 0.19 0.00 -0.13 0.00 0.00 59.36 59.40 3gis h GLU 1 Cb 0.00 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 3gis h GLU 1 CO 0.00 0.20 0.52 0.00 -0.73 0.00 0.00 179.01 179.00 3gis h ALA 1 N 1.18 2.47 -0.30 2.92 0.00 -1.97 -0.42 119.26 123.13 3gis h ALA 1 Ca 0.14 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3gis h ALA 1 Cb 0.07 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3gis h ALA 1 CO -0.11 -0.68 -0.00 -3.47 0.00 0.00 0.00 179.25 174.98 3gis n ASP 1 N -4.39 3.38 -4.75 0.00 2.03 -1.12 -4.95 116.55 106.75 3gis n ASP 1 Ca 0.15 -3.28 -0.34 0.00 0.52 0.00 0.00 54.79 51.84 3gis n ASP 1 Cb 0.71 -0.58 0.07 0.00 -0.72 0.00 0.00 41.12 40.59 3gis n ASP 1 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gis n GLY 2 N -0.01 0.56 3.20 0.00 0.00 -1.26 -4.97 105.19 102.70 3gis n GLY 2 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 3gis n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gis s LEU 3 N 0.00 4.49 0.03 0.99 1.43 -1.24 -5.01 118.68 119.36 3gis s LEU 3 Ca 0.00 -1.46 -0.30 0.00 -1.03 0.00 0.00 54.13 51.34 3gis s LEU 3 Cb 0.00 -1.81 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 3gis s LEU 3 CO 0.00 -0.38 1.21 -0.13 0.23 0.00 0.00 176.35 177.28 3gis s ARG 4 N 1.28 4.40 0.29 1.70 0.52 -1.26 -4.78 118.95 121.11 3gis s ARG 4 Ca 0.00 1.75 0.04 0.00 -0.52 0.00 0.00 55.73 57.00 3gis s ARG 4 Cb -0.21 -3.42 0.64 0.00 0.52 0.00 0.00 34.95 32.49 3gis s ARG 4 CO -0.01 -0.32 1.81 -1.35 0.02 0.00 0.00 175.30 175.46 3gis h PRO 5 N 7.03 0.86 -0.03 3.54 0.11 -1.97 -1.46 132.00 140.09 3gis h PRO 5 Ca -0.40 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gis h PRO 5 Cb 1.20 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3gis h PRO 5 CO 0.83 0.57 0.00 1.28 -0.21 0.00 0.00 178.00 180.47 3gis n LEU 6 N -4.68 0.91 0.00 2.35 4.32 -1.26 -4.17 117.00 114.47 3gis n LEU 6 Ca 0.21 -0.32 0.00 0.00 -0.02 0.00 0.00 56.01 55.88 3gis n LEU 6 Cb 0.45 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.24 3gis n LEU 6 CO 0.25 0.16 0.00 0.49 -1.22 0.00 0.00 177.39 177.07 3gis n PHE 7 N -0.27 0.00 -0.16 -1.77 3.72 -0.63 -4.81 117.46 113.54 3gis n PHE 7 Ca 0.20 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.55 3gis n PHE 7 Cb 0.25 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.83 3gis n PHE 7 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3gis h GLU 8 N 0.00 0.47 0.00 -1.08 3.07 -1.51 0.17 114.58 115.69 3gis h GLU 8 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3gis h GLU 8 Cb 0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.80 3gis h GLU 8 CO 0.00 0.31 0.14 0.87 -1.40 0.00 0.00 179.01 178.93 3gis h LYS 9 N 0.48 0.00 -0.00 2.33 1.79 -1.53 0.62 116.57 120.26 3gis h LYS 9 Ca 0.21 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 3gis h LYS 9 Cb 0.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 3gis h LYS 9 CO -0.15 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 179.85 3gis n LYS 10 N -2.49 1.89 -2.00 3.15 5.02 -0.13 -4.98 118.16 118.62 3gis n LYS 10 Ca -0.02 -2.21 -0.16 0.00 -2.02 0.00 0.00 58.31 53.90 3gis n LYS 10 Cb 0.18 -1.33 -0.04 0.00 -0.02 0.00 0.00 35.03 33.83 3gis n LYS 10 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3gis n SER 11 N -1.10 -4.56 -4.80 4.39 7.64 0.21 -4.96 113.62 110.44 3gis n SER 11 Ca 0.11 0.23 -0.29 0.00 1.01 0.00 0.00 58.87 59.93 3gis n SER 11 Cb 0.51 -3.97 -0.06 0.00 -1.01 0.00 0.00 64.21 59.68 3gis n SER 11 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3gis s LEU 12 N -5.07 3.85 0.07 -3.43 1.43 0.40 -4.98 118.68 110.97 3gis s LEU 12 Ca 0.00 -0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.14 3gis s LEU 12 Cb 0.00 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 3gis s LEU 12 CO 0.00 0.14 -0.07 -1.61 0.23 0.00 0.00 176.35 175.04 3gis s GLU 13 N -2.62 2.35 0.87 1.70 2.02 -1.26 -3.64 118.70 118.11 3gis s GLU 13 Ca 0.30 -0.90 -0.13 0.00 0.02 0.00 0.00 54.97 54.26 3gis s GLU 13 Cb -0.12 -2.41 0.13 0.00 0.10 0.00 0.00 34.13 31.83 3gis s GLU 13 CO 0.23 0.54 1.23 0.16 0.02 0.00 0.00 175.26 177.44 3gis s ASP 14 N -2.00 3.94 0.61 -0.19 1.47 -1.26 -4.97 116.67 114.28 3gis s ASP 14 Ca 0.21 0.56 0.38 0.00 1.18 0.00 0.00 52.55 54.88 3gis s ASP 14 Cb -0.11 -0.87 1.98 0.00 -0.34 0.00 0.00 42.92 43.58 3gis s ASP 14 CO 0.13 -2.24 2.23 0.11 0.68 0.00 0.00 175.17 176.08 3gis h LYS 14 N -1.28 0.00 0.00 2.11 6.56 -2.05 -3.22 116.57 118.69 3gis h LYS 14 Ca -0.45 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.14 3gis h LYS 14 Cb 1.29 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.95 3gis h LYS 14 CO 0.54 0.02 0.00 0.25 -2.06 0.00 0.00 179.45 178.20 3gis n THR 14 N -3.24 0.00 -0.20 -0.16 -2.24 -1.26 -4.80 114.28 102.38 3gis n THR 14 Ca -0.02 -0.41 -0.06 0.00 -2.27 0.00 0.00 64.05 61.28 3gis n THR 14 Cb 0.15 1.13 -0.01 0.00 -2.10 0.00 0.00 70.33 69.51 3gis n THR 14 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3gis h GLU 14 N 0.00 -0.19 -1.39 -0.78 4.81 -1.94 0.60 114.58 115.70 3gis h GLU 14 Ca 0.00 0.01 0.41 0.00 -0.13 0.00 0.00 59.36 59.65 3gis h GLU 14 Cb 0.07 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.42 3gis h GLU 14 CO 0.00 -0.12 0.98 -0.09 -0.73 0.00 0.00 179.01 179.04 3gis h ARG 14 N -0.19 0.06 -0.65 1.92 9.65 -1.87 -2.84 114.38 120.45 3gis h ARG 14 Ca 0.21 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.09 3gis h ARG 14 Cb 0.56 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.12 3gis h ARG 14 CO -0.68 0.04 0.00 -1.91 2.80 0.00 0.00 179.97 180.22 3gis n GLU 14 N -4.24 0.13 0.00 0.20 2.13 0.20 -0.86 120.64 118.20 3gis n GLU 14 Ca 0.32 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.14 3gis n GLU 14 Cb 1.43 -1.18 0.00 0.00 0.27 0.00 0.00 31.44 31.96 3gis n GLU 14 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3gis n LEU 14 N 0.58 0.00 0.11 4.31 4.32 -1.07 -2.24 117.00 123.01 3gis n LEU 14 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 56.01 56.00 3gis n LEU 14 Cb 0.04 0.00 0.34 0.00 -1.62 0.00 0.00 43.42 42.18 3gis n LEU 14 CO 0.00 0.00 0.82 -0.33 -1.22 0.00 0.00 177.39 176.66 3gis h GLU 14 N 0.00 0.24 0.00 3.23 5.08 -1.29 -2.68 114.58 119.17 3gis h GLU 14 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3gis h GLU 14 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3gis h GLU 14 CO 0.00 0.45 0.00 -1.13 -1.00 0.00 0.00 179.01 177.33 3gis n SER 14 N -4.20 0.00 -0.50 1.42 3.41 -0.95 -1.80 113.62 111.00 3gis n SER 14 Ca -0.01 0.12 0.05 0.00 -0.26 0.00 0.00 58.87 58.77 3gis n SER 14 Cb 0.33 -0.29 0.17 0.00 -0.26 0.00 0.00 64.21 64.16 3gis n SER 14 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3gis n TYR 14 N -1.29 0.33 -2.18 7.33 4.01 -1.01 -4.86 117.16 119.50 3gis n TYR 14 Ca 0.06 -0.17 -0.42 0.00 -0.16 0.00 0.00 57.90 57.21 3gis n TYR 14 Cb 0.10 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 3gis n TYR 14 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 3gis s ILE 14 N -1.67 3.74 -0.49 -0.72 2.07 -0.75 -4.97 121.20 118.42 3gis s ILE 14 Ca 0.21 1.02 -0.10 0.00 -1.41 0.00 0.00 60.65 60.37 3gis s ILE 14 Cb 0.11 -3.66 0.12 0.00 0.13 0.00 0.00 42.46 39.16 3gis s ILE 14 CO 0.15 -0.05 0.37 -1.81 -1.91 0.00 0.00 174.94 171.69 3gis s ASP 14 N 2.41 5.78 0.67 4.50 -0.00 -1.26 -5.07 116.67 123.70 3gis s ASP 14 Ca 0.66 -1.92 -0.17 0.00 -0.00 0.00 0.00 52.55 51.12 3gis s ASP 14 Cb -0.31 -2.04 0.00 0.00 -0.00 0.00 0.00 42.92 40.57 3gis s ASP 14 CO 0.25 -0.72 1.27 -0.83 -0.00 0.00 0.00 175.17 175.14 3gis s GLY 14 N 2.79 2.71 0.00 0.21 0.00 -1.26 -5.30 107.32 106.48 3gis s GLY 14 Ca 0.06 1.12 0.17 0.00 0.00 0.00 0.00 44.72 46.06 3gis s GLY 14 CO -0.00 1.54 1.05 0.54 0.00 0.00 0.00 173.10 176.22