#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hat s PHE 1 N 0.00 2.60 -0.20 1.09 0.40 -1.20 -4.91 117.98 115.76 3hat s PHE 1 Ca 0.00 -0.25 -0.02 0.00 -0.60 0.00 0.00 56.93 56.07 3hat s PHE 1 Cb 0.00 -1.15 -0.07 0.00 0.51 0.00 0.00 43.02 42.31 3hat s PHE 1 CO 0.00 0.64 0.98 0.41 0.70 0.00 0.00 175.22 177.95 3hat n GLY 1 N -0.78 -0.10 0.00 4.36 0.00 -1.26 -1.73 105.19 105.69 3hat n GLY 1 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3hat n GLY 1 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hat n SER 1 N 3.61 0.00 0.00 1.61 2.88 -1.26 -5.09 113.62 115.36 3hat n SER 1 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 3hat n SER 1 Cb 0.31 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 3hat n SER 1 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hat n GLY 1 N 0.10 0.00 0.00 0.46 0.00 -0.70 -4.42 105.19 100.63 3hat n GLY 1 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hat n GLY 1 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hat n GLU 1 N 0.00 0.00 0.00 1.61 4.07 -1.26 -1.96 120.64 123.10 3hat n GLU 1 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3hat n GLU 1 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3hat n GLU 1 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3hat n ALA 1 N -3.00 1.61 -0.60 4.31 0.00 -1.26 -4.65 120.51 116.91 3hat n ALA 1 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3hat n ALA 1 Cb 0.00 0.02 0.31 0.00 0.00 0.00 0.00 19.45 19.77 3hat n ALA 1 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hat n ASP 1 N -1.14 4.29 -4.54 0.00 2.03 -1.26 -4.99 116.55 110.94 3hat n ASP 1 Ca 0.00 -2.46 -0.42 0.00 0.52 0.00 0.00 54.79 52.44 3hat n ASP 1 Cb 0.02 -0.51 0.01 0.00 -0.72 0.00 0.00 41.12 39.92 3hat n ASP 1 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hat n GLY 2 N 1.47 0.46 3.29 0.00 0.00 -1.26 -4.96 105.19 104.19 3hat n GLY 2 Ca 0.11 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 3hat n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hat s LEU 3 N -0.99 5.07 -0.06 0.99 1.43 -1.03 -5.04 118.68 119.06 3hat s LEU 3 Ca 0.00 -1.40 -0.30 0.00 -1.03 0.00 0.00 54.13 51.40 3hat s LEU 3 Cb 0.00 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 3hat s LEU 3 CO 0.00 -0.51 1.47 -0.13 0.23 0.00 0.00 176.35 177.41 3hat s ARG 4 N 1.45 4.23 0.27 1.70 0.52 -1.26 -4.81 118.95 121.05 3hat s ARG 4 Ca 0.03 1.99 0.00 0.00 -0.52 0.00 0.00 55.73 57.22 3hat s ARG 4 Cb -0.22 -3.79 0.58 0.00 0.52 0.00 0.00 34.95 32.04 3hat s ARG 4 CO 0.03 -0.72 1.74 -1.35 0.02 0.00 0.00 175.30 175.02 3hat h PRO 5 N 8.61 0.53 -0.06 3.54 0.11 -1.97 -1.92 132.00 140.84 3hat h PRO 5 Ca -0.36 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3hat h PRO 5 Cb 1.16 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3hat h PRO 5 CO 0.94 0.35 0.00 1.28 -0.21 0.00 0.00 178.00 180.36 3hat n LEU 6 N -4.93 1.24 0.00 2.35 4.32 -1.26 -4.21 117.00 114.50 3hat n LEU 6 Ca 0.18 -0.46 0.00 0.00 -0.02 0.00 0.00 56.01 55.71 3hat n LEU 6 Cb 0.50 -0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.26 3hat n LEU 6 CO 0.18 0.23 0.00 0.49 -1.22 0.00 0.00 177.39 177.07 3hat n PHE 7 N -0.01 0.00 -0.17 -1.77 3.01 -0.77 -4.76 117.46 112.99 3hat n PHE 7 Ca 0.18 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.54 3hat n PHE 7 Cb 0.29 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.69 3hat n PHE 7 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3hat h GLU 8 N 0.00 -0.20 -0.53 -1.08 3.07 -1.53 0.68 114.58 114.98 3hat h GLU 8 Ca 0.00 0.01 0.15 0.00 -0.50 0.00 0.00 59.36 59.03 3hat h GLU 8 Cb 0.00 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 3hat h GLU 8 CO 0.00 -0.14 0.73 0.87 -1.40 0.00 0.00 179.01 179.07 3hat h LYS 9 N -0.21 0.00 -0.03 2.33 6.56 -1.63 -0.37 116.57 123.22 3hat h LYS 9 Ca 0.08 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 3hat h LYS 9 Cb 0.41 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.07 3hat h LYS 9 CO -0.54 0.00 0.00 1.63 -2.06 0.00 0.00 179.45 178.48 3hat n LYS 10 N -3.35 1.75 -3.89 3.15 5.02 -0.15 -4.96 118.16 115.72 3hat n LYS 10 Ca 0.11 -2.40 -0.27 0.00 -2.02 0.00 0.00 58.31 53.73 3hat n LYS 10 Cb 0.91 -1.43 0.02 0.00 -0.02 0.00 0.00 35.03 34.51 3hat n LYS 10 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3hat n SER 11 N -1.16 -2.92 -4.53 4.39 2.88 -0.15 -4.98 113.62 107.15 3hat n SER 11 Ca 0.13 -0.85 -0.34 0.00 -1.33 0.00 0.00 58.87 56.49 3hat n SER 11 Cb 0.58 -3.70 -0.12 0.00 -0.75 0.00 0.00 64.21 60.22 3hat n SER 11 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3hat s LEU 12 N -7.06 3.13 -0.08 2.46 1.43 0.05 -5.00 118.68 113.62 3hat s LEU 12 Ca 0.38 -0.09 -0.10 0.00 -1.03 0.00 0.00 54.13 53.29 3hat s LEU 12 Cb -0.19 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 3hat s LEU 12 CO 0.84 0.28 0.23 -1.61 0.23 0.00 0.00 176.35 176.33 3hat s GLU 13 N -0.34 3.60 0.64 1.70 2.02 -1.26 -3.88 118.70 121.19 3hat s GLU 13 Ca 0.05 0.05 -0.14 0.00 0.02 0.00 0.00 54.97 54.95 3hat s GLU 13 Cb -0.12 -3.20 -0.01 0.00 0.10 0.00 0.00 34.13 30.89 3hat s GLU 13 CO 0.02 0.75 1.06 0.16 0.02 0.00 0.00 175.26 177.27 3hat s ASP 14 N -1.04 5.52 0.00 -0.19 1.47 -1.26 -4.93 116.67 116.24 3hat s ASP 14 Ca 0.18 1.76 0.02 0.00 1.18 0.00 0.00 52.55 55.69 3hat s ASP 14 Cb -0.14 -2.52 0.09 0.00 -0.34 0.00 0.00 42.92 40.01 3hat s ASP 14 CO 0.07 -1.34 0.82 2.29 0.68 0.00 0.00 175.17 177.69 3hat n LYS 14 N -2.52 0.03 0.00 2.11 2.85 -1.26 -2.91 118.16 116.46 3hat n LYS 14 Ca 0.08 0.23 0.00 0.00 -1.05 0.00 0.00 58.31 57.58 3hat n LYS 14 Cb 0.53 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.41 3hat n LYS 14 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3hat n THR 14 N -1.25 0.00 0.09 0.58 -2.24 -1.26 -4.83 114.28 105.37 3hat n THR 14 Ca 0.01 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.87 3hat n THR 14 Cb 0.01 1.11 0.54 0.00 -2.10 0.00 0.00 70.33 69.89 3hat n THR 14 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3hat h GLU 14 N 0.00 0.27 -0.99 -0.78 4.11 -1.92 -1.79 114.58 113.48 3hat h GLU 14 Ca 0.00 -0.02 0.11 0.00 0.07 0.00 0.00 59.36 59.52 3hat h GLU 14 Cb 0.89 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 30.00 3hat h GLU 14 CO 0.00 0.18 0.63 0.00 0.07 0.00 0.00 179.01 179.88 3hat h ARG 14 N 0.27 0.98 0.00 1.06 2.47 -1.88 -2.77 114.38 114.51 3hat h ARG 14 Ca 0.12 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 3hat h ARG 14 Cb 0.13 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.23 3hat h ARG 14 CO -0.02 0.65 0.00 -1.91 0.56 0.00 0.00 179.97 179.24 3hat n GLU 14 N -4.58 0.00 0.00 0.04 2.13 -0.67 -0.69 120.64 116.87 3hat n GLU 14 Ca 0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.00 3hat n GLU 14 Cb 0.32 -0.98 0.00 0.00 0.27 0.00 0.00 31.44 31.05 3hat n GLU 14 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3hat n LEU 14 N -0.23 0.00 0.23 4.31 7.99 -1.05 -3.22 117.00 125.03 3hat n LEU 14 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 56.01 56.08 3hat n LEU 14 Cb 0.00 0.00 0.56 0.00 -0.11 0.00 0.00 43.42 43.87 3hat n LEU 14 CO 0.00 0.00 0.87 -0.33 -1.51 0.00 0.00 177.39 176.42 3hat h GLU 14 N 0.00 0.00 0.00 3.23 5.08 -1.18 0.24 114.58 121.95 3hat h GLU 14 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3hat h GLU 14 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3hat h GLU 14 CO 0.00 0.21 -0.47 0.66 -1.00 0.00 0.00 179.01 178.42 3hat h SER 14 N 0.00 0.00 -0.09 1.42 4.64 -1.80 -2.15 113.55 115.58 3hat h SER 14 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hat h SER 14 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3hat h SER 14 CO 0.03 0.47 0.00 -1.22 -0.87 0.00 0.00 176.83 175.23 3hat n TYR 14 N -3.38 0.16 -2.94 4.77 4.01 -0.98 -4.74 117.16 114.05 3hat n TYR 14 Ca 0.01 -0.07 -0.10 0.00 -0.16 0.00 0.00 57.90 57.58 3hat n TYR 14 Cb 0.63 -0.04 0.03 0.00 -0.31 0.00 0.00 39.34 39.66 3hat n TYR 14 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 3hat n ILE 14 N -0.15 -1.25 -1.50 -0.72 -5.35 -0.97 -4.54 119.36 104.88 3hat n ILE 14 Ca 0.03 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.51 3hat n ILE 14 Cb 0.15 -2.53 -0.00 0.00 -1.74 0.00 0.00 39.64 35.51 3hat n ILE 14 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3hat n ASP 14 N -0.41 -2.86 0.00 7.28 -0.08 -0.73 -4.99 116.55 114.77 3hat n ASP 14 Ca 0.00 0.38 0.00 0.00 -1.51 0.00 0.00 54.79 53.66 3hat n ASP 14 Cb 0.53 -1.99 0.00 0.00 2.34 0.00 0.00 41.12 42.00 3hat n ASP 14 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3hat n GLY 14 N 0.41 0.00 0.00 0.27 0.00 0.77 -4.91 105.19 101.73 3hat n GLY 14 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3hat n GLY 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19