#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hax n ARG 4 N 0.00 1.48 -2.30 -1.08 5.12 -1.26 -4.96 116.66 113.66 3hax n ARG 4 Ca 0.00 -0.02 -0.42 0.00 -1.93 0.00 0.00 57.85 55.47 3hax n ARG 4 Cb 0.00 -1.37 -0.03 0.00 -1.16 0.00 0.00 32.46 29.90 3hax n ARG 4 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3hax s ILE 5 N -2.44 3.98 0.21 0.55 1.01 -1.26 -4.57 121.20 118.68 3hax s ILE 5 Ca -0.07 1.28 0.11 0.00 0.00 0.00 0.00 60.65 61.97 3hax s ILE 5 Cb 0.05 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 3hax s ILE 5 CO 0.60 -0.05 -0.23 -0.13 0.00 0.00 0.00 174.94 175.13 3hax s ARG 6 N 2.95 1.55 -0.02 2.79 0.52 -0.07 -1.44 118.95 125.23 3hax s ARG 6 Ca 0.61 -1.58 0.02 0.00 -0.52 0.00 0.00 55.73 54.26 3hax s ARG 6 Cb -0.27 -1.81 0.00 0.00 0.52 0.00 0.00 34.95 33.39 3hax s ARG 6 CO 0.22 0.38 -0.08 0.21 0.02 0.00 0.00 175.30 176.05 3hax s LYS 7 N -2.88 0.86 0.05 3.54 2.20 0.18 -1.22 119.74 122.46 3hax s LYS 7 Ca 0.23 -0.26 -0.31 0.00 -0.36 0.00 0.00 55.97 55.27 3hax s LYS 7 Cb -0.07 -0.81 -0.05 0.00 -1.51 0.00 0.00 37.83 35.38 3hax s LYS 7 CO 0.11 0.09 1.22 0.00 -0.36 0.00 0.00 175.35 176.41 3hax h PRO 9 N 6.91 0.00 0.00 0.00 0.11 -1.92 -2.48 132.00 134.62 3hax h PRO 9 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3hax h PRO 9 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3hax h PRO 9 CO 0.82 0.00 -0.29 -0.22 -0.21 0.00 0.00 178.00 178.10 3hax h LYS 10 N 0.00 0.00 0.00 1.05 3.64 -1.92 -3.43 116.57 115.91 3hax h LYS 10 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hax h LYS 10 Cb 0.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3hax h LYS 10 CO 0.00 0.00 -1.08 0.00 -2.27 0.00 0.00 179.45 176.10 3hax n GLY 12 N 1.45 0.56 3.73 0.00 0.00 -0.93 -5.03 105.19 104.96 3hax n GLY 12 Ca 0.03 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 3hax n GLY 12 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hax s ARG 13 N -0.62 4.35 -0.06 1.61 6.06 -1.26 -4.70 118.95 124.33 3hax s ARG 13 Ca 0.00 2.10 -0.21 0.00 -2.50 0.00 0.00 55.73 55.12 3hax s ARG 13 Cb 0.00 -3.20 -0.04 0.00 0.06 0.00 0.00 34.95 31.77 3hax s ARG 13 CO 0.00 -0.34 0.61 0.71 -2.50 0.00 0.00 175.30 173.78 3hax s TYR 14 N 0.43 3.60 0.19 5.12 1.51 -1.26 -1.11 117.35 125.84 3hax s TYR 14 Ca 0.60 1.15 -0.17 0.00 -1.01 0.00 0.00 57.07 57.64 3hax s TYR 14 Cb -0.38 -2.68 0.03 0.00 -0.11 0.00 0.00 41.96 38.82 3hax s TYR 14 CO 0.36 0.20 0.52 -0.08 -1.11 0.00 0.00 175.55 175.44 3hax s THR 15 N 0.41 0.03 -1.08 -0.71 -1.32 -0.36 -5.02 115.64 107.59 3hax s THR 15 Ca 0.33 -0.78 0.21 0.00 -1.21 0.00 0.00 61.69 60.24 3hax s THR 15 Cb -0.17 -1.58 -0.20 0.00 -1.51 0.00 0.00 72.50 69.04 3hax s THR 15 CO 0.16 -0.12 0.95 0.18 -2.21 0.00 0.00 174.62 173.58 3hax n LEU 16 N -0.34 1.05 -4.84 9.08 4.77 -1.26 -0.89 117.00 124.56 3hax n LEU 16 Ca -0.10 -0.49 -0.32 0.00 -0.03 0.00 0.00 56.01 55.07 3hax n LEU 16 Cb 0.62 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.66 3hax n LEU 16 CO 0.17 0.25 0.61 -0.54 -1.33 0.00 0.00 177.39 176.56 3hax s LYS 17 N -2.96 3.98 0.20 3.23 1.02 -1.26 -4.88 119.74 119.07 3hax s LYS 17 Ca 0.09 0.88 0.11 0.00 0.02 0.00 0.00 55.97 57.07 3hax s LYS 17 Cb 0.16 -2.21 0.02 0.00 -0.52 0.00 0.00 37.83 35.28 3hax s LYS 17 CO 0.84 -0.15 1.41 0.93 -0.92 0.00 0.00 175.35 177.45 3hax h GLU 18 N 1.27 0.00 -5.24 1.68 5.08 -1.94 -3.43 114.58 112.00 3hax h GLU 18 Ca -0.47 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.23 3hax h GLU 18 Cb 1.18 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.17 3hax h GLU 18 CO 0.62 0.77 -0.74 0.14 -1.00 0.00 0.00 179.01 178.80 3hax s VAL 19 N -2.98 3.28 0.11 3.13 -7.23 -1.26 -0.59 120.40 114.86 3hax s VAL 19 Ca 0.01 -0.57 -0.33 0.00 -1.81 0.00 0.00 61.98 59.28 3hax s VAL 19 Cb 0.10 -2.42 -0.13 0.00 0.56 0.00 0.00 36.38 34.49 3hax s VAL 19 CO 0.78 0.50 1.69 0.00 -0.31 0.00 0.00 175.10 177.76 3hax n PRO 21 N 4.42 0.03 -0.10 0.00 -0.04 -1.26 -1.42 135.00 136.64 3hax n PRO 21 Ca 0.18 0.21 -0.15 0.00 -0.04 0.00 0.00 63.50 63.70 3hax n PRO 21 Cb 0.31 -1.55 -0.06 0.00 -0.04 0.00 0.00 33.50 32.15 3hax n PRO 21 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3hax n VAL 22 N -1.61 1.49 0.24 0.52 0.31 -1.26 -4.80 118.33 113.22 3hax n VAL 22 Ca 0.04 0.02 0.03 0.00 -0.01 0.00 0.00 64.34 64.42 3hax n VAL 22 Cb 0.23 -2.19 -0.04 0.00 -0.91 0.00 0.00 33.84 30.93 3hax n VAL 22 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hax n GLY 24 N 1.39 0.77 3.78 0.00 0.00 -0.51 -5.01 105.19 105.61 3hax n GLY 24 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3hax n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hax s GLU 25 N -0.45 4.19 0.01 1.61 2.56 -1.26 -4.43 118.70 120.93 3hax s GLU 25 Ca 0.00 1.56 -0.30 0.00 0.00 0.00 0.00 54.97 56.23 3hax s GLU 25 Cb 0.00 -2.60 -0.07 0.00 2.00 0.00 0.00 34.13 33.46 3hax s GLU 25 CO 0.00 -0.13 1.68 0.15 -0.56 0.00 0.00 175.26 176.40 3hax s LYS 26 N -2.40 4.19 0.59 4.30 -0.14 -1.26 -0.58 119.74 124.43 3hax s LYS 26 Ca 0.57 2.29 -0.08 0.00 -1.36 0.00 0.00 55.97 57.39 3hax s LYS 26 Cb -0.24 -3.82 -0.02 0.00 -1.68 0.00 0.00 37.83 32.07 3hax s LYS 26 CO 0.30 -0.80 0.94 0.95 -0.76 0.00 0.00 175.35 175.98 3hax s THR 27 N 3.42 4.38 0.16 2.17 -4.23 0.24 -4.51 115.64 117.26 3hax s THR 27 Ca 0.75 0.45 0.09 0.00 -1.18 0.00 0.00 61.69 61.79 3hax s THR 27 Cb -0.37 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 69.70 3hax s THR 27 CO 0.32 -0.85 -0.19 -0.54 -0.54 0.00 0.00 174.62 172.83 3hax s LYS 28 N -5.04 1.27 0.27 3.99 1.02 -0.14 -4.91 119.74 116.20 3hax s LYS 28 Ca 0.53 -1.40 -0.31 0.00 0.02 0.00 0.00 55.97 54.81 3hax s LYS 28 Cb -0.11 -1.35 -0.12 0.00 -0.52 0.00 0.00 37.83 35.73 3hax s LYS 28 CO 0.49 0.28 1.56 0.28 -0.92 0.00 0.00 175.35 177.04 3hax n VAL 29 N 0.33 0.90 0.16 3.17 0.31 -1.26 0.48 118.33 122.42 3hax n VAL 29 Ca -0.13 -0.22 0.04 0.00 -0.01 0.00 0.00 64.34 64.01 3hax n VAL 29 Cb 0.57 -1.83 0.22 0.00 -0.91 0.00 0.00 33.84 31.89 3hax n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hax h ALA 30 N 4.83 0.87 -2.69 3.52 0.00 -1.54 -3.43 119.26 120.82 3hax h ALA 30 Ca -0.46 -0.42 -0.56 0.00 0.00 0.00 0.00 54.91 53.46 3hax h ALA 30 Cb 1.24 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 3hax h ALA 30 CO 0.80 0.58 -0.01 -1.01 0.00 0.00 0.00 179.25 179.61 3hax s HIS 31 N -3.40 3.80 0.62 0.00 3.76 -1.26 -4.99 115.29 113.81 3hax s HIS 31 Ca 0.01 1.31 -0.16 0.00 -0.15 0.00 0.00 55.06 56.07 3hax s HIS 31 Cb 0.10 -2.52 -0.02 0.00 1.11 0.00 0.00 32.58 31.24 3hax s HIS 31 CO 0.71 0.56 1.09 -2.14 -0.85 0.00 0.00 174.74 174.11 3hax s PRO 32 N -1.20 3.09 0.81 8.40 0.02 -1.26 -5.03 135.00 139.83 3hax s PRO 32 Ca 0.31 1.33 -0.11 0.00 0.02 0.00 0.00 61.00 62.55 3hax s PRO 32 Cb -0.20 -1.99 0.08 0.00 0.02 0.00 0.00 34.50 32.41 3hax s PRO 32 CO 0.20 -1.01 1.10 -1.25 -0.33 0.00 0.00 177.00 175.71 3hax s PRO 33 N -4.00 1.95 0.22 5.54 0.04 -1.26 -4.95 135.00 132.54 3hax s PRO 33 Ca 0.66 1.14 -0.32 0.00 0.04 0.00 0.00 61.00 62.52 3hax s PRO 33 Cb -0.19 -1.86 -0.13 0.00 0.04 0.00 0.00 34.50 32.35 3hax s PRO 33 CO 0.38 -1.85 1.50 -2.13 0.04 0.00 0.00 177.00 174.93 3hax n ARG 34 N -3.66 2.16 -4.56 4.56 0.63 -1.26 -5.02 116.66 109.51 3hax n ARG 34 Ca 0.09 0.77 -0.30 0.00 -0.92 0.00 0.00 57.85 57.49 3hax n ARG 34 Cb 0.53 -2.49 -0.12 0.00 0.45 0.00 0.00 32.46 30.83 3hax n ARG 34 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 3hax s PHE 35 N 0.33 2.55 -0.03 -0.14 5.36 -1.26 -5.14 117.98 119.65 3hax s PHE 35 Ca 0.72 -0.26 0.04 0.00 -0.96 0.00 0.00 56.93 56.47 3hax s PHE 35 Cb -0.64 -1.43 -0.01 0.00 -0.34 0.00 0.00 43.02 40.60 3hax s PHE 35 CO 0.45 0.29 -0.16 0.45 -1.46 0.00 0.00 175.22 174.79 3hax s SER 36 N -1.63 1.94 0.54 6.13 0.15 -1.26 -5.02 113.70 114.54 3hax s SER 36 Ca 0.15 -0.31 0.29 0.00 0.70 0.00 0.00 55.95 56.78 3hax s SER 36 Cb -0.10 -0.39 1.52 0.00 -1.71 0.00 0.00 66.02 65.33 3hax s SER 36 CO 0.07 0.16 2.10 1.55 1.20 0.00 0.00 173.24 178.32 3hax h PRO 37 N 6.04 0.00 0.00 5.44 0.13 -2.07 -1.78 132.00 139.75 3hax h PRO 37 Ca -0.34 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.66 3hax h PRO 37 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 3hax h PRO 37 CO 0.48 0.10 -0.62 0.93 -0.23 0.00 0.00 178.00 178.66 3hax h GLU 38 N 0.00 0.00 -6.72 0.86 5.08 -2.06 -3.48 114.58 108.27 3hax h GLU 38 Ca -0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 3hax h GLU 38 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3hax h GLU 38 CO 0.01 0.62 -0.72 -3.47 -1.00 0.00 0.00 179.01 174.46 3hax n ASP 39 N -3.76 -2.95 0.32 1.42 2.03 -0.67 -4.80 116.55 108.12 3hax n ASP 39 Ca -0.01 -0.79 0.21 0.00 0.52 0.00 0.00 54.79 54.72 3hax n ASP 39 Cb 0.62 -1.06 1.02 0.00 -0.72 0.00 0.00 41.12 40.98 3hax n ASP 39 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hax h PRO 40 N -0.38 0.00 -0.08 -0.67 0.13 -1.93 -2.71 132.00 126.36 3hax h PRO 40 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 3hax h PRO 40 Cb 0.95 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 3hax h PRO 40 CO 0.30 0.00 -0.08 0.66 -0.23 0.00 0.00 178.00 178.66 3hax n TYR 41 N -3.10 0.27 -0.30 1.56 4.02 -1.26 -4.73 117.16 113.62 3hax n TYR 41 Ca -0.02 -1.09 0.02 0.00 -0.01 0.00 0.00 57.90 56.81 3hax n TYR 41 Cb 0.16 -0.22 0.22 0.00 -0.02 0.00 0.00 39.34 39.48 3hax n TYR 41 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3hax h GLY 42 N 0.58 1.28 0.80 2.72 0.00 -1.85 -1.31 103.07 105.29 3hax h GLY 42 Ca 0.02 -0.43 0.05 0.00 0.00 0.00 0.00 47.33 46.96 3hax h GLY 42 CO 0.07 0.36 0.58 -2.09 0.00 0.00 0.00 176.54 175.46 3hax h GLU 43 N 1.09 1.05 0.12 4.80 4.81 -1.85 -0.16 114.58 124.43 3hax h GLU 43 Ca 0.36 -0.06 -0.28 0.00 -0.13 0.00 0.00 59.36 59.25 3hax h GLU 43 Cb 0.06 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 3hax h GLU 43 CO -0.11 0.70 -1.28 1.88 -0.73 0.00 0.00 179.01 179.46 3hax h TYR 44 N 1.08 0.45 -0.64 0.92 -1.99 -1.79 -2.47 116.97 112.53 3hax h TYR 44 Ca 0.38 -0.33 -0.09 0.00 2.00 0.00 0.00 58.73 60.69 3hax h TYR 44 Cb 0.09 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 38.78 3hax h TYR 44 CO -0.02 1.27 0.05 -0.09 -0.00 0.00 0.00 178.16 179.37 3hax h ARG 45 N 0.07 1.10 -0.05 4.88 2.43 -1.12 -2.70 114.38 118.98 3hax h ARG 45 Ca -0.15 -0.32 -0.10 0.00 -0.81 0.00 0.00 59.98 58.60 3hax h ARG 45 Cb 1.97 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 31.39 3hax h ARG 45 CO 0.19 1.04 -0.43 0.00 -1.51 0.00 0.00 179.97 179.26 3hax h ARG 46 N 1.01 0.10 -0.59 0.20 3.08 -1.03 -0.44 114.38 116.70 3hax h ARG 46 Ca 0.19 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.09 3hax h ARG 46 Cb 0.51 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 3hax h ARG 46 CO 0.02 0.51 -0.01 -0.09 -1.07 0.00 0.00 179.97 179.34 3hax h ARG 47 N 0.08 1.05 -0.22 0.04 2.43 -1.33 0.54 114.38 116.98 3hax h ARG 47 Ca 0.01 -0.34 -0.03 0.00 -0.81 0.00 0.00 59.98 58.81 3hax h ARG 47 Cb 0.80 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 3hax h ARG 47 CO 0.06 1.03 0.01 2.35 -1.51 0.00 0.00 179.97 181.91 3hax h TRP 48 N 0.96 0.42 -0.65 2.20 7.01 -1.25 -3.13 115.95 121.50 3hax h TRP 48 Ca 0.17 -0.07 -0.06 0.00 2.11 0.00 0.00 58.89 61.03 3hax h TRP 48 Cb 0.57 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.49 3hax h TRP 48 CO 0.04 0.56 0.15 -0.22 -2.79 0.00 0.00 178.44 176.18 3hax h LYS 49 N 0.16 1.04 -0.86 2.65 3.64 -0.83 -1.84 116.57 120.54 3hax h LYS 49 Ca 0.06 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 3hax h LYS 49 Cb 0.38 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 3hax h LYS 49 CO 0.01 0.94 0.50 0.00 -2.27 0.00 0.00 179.45 178.64 3hax h ARG 50 N 0.96 1.18 -0.44 1.90 3.08 -0.97 0.82 114.38 120.92 3hax h ARG 50 Ca 0.20 -0.12 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 3hax h ARG 50 Cb 0.37 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3hax h ARG 50 CO 0.00 0.84 -0.24 1.49 -1.07 0.00 0.00 179.97 181.00 3hax h GLU 51 N 1.20 0.92 -0.20 0.04 4.81 -1.42 0.19 114.58 120.12 3hax h GLU 51 Ca 0.31 -0.40 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 3hax h GLU 51 Cb -0.02 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3hax h GLU 51 CO -0.06 1.05 0.01 0.28 -0.73 0.00 0.00 179.01 179.57 3hax h VAL 52 N 0.79 1.25 0.00 0.32 2.07 -0.95 -3.23 116.25 116.50 3hax h VAL 52 Ca 0.10 -0.83 -0.09 0.00 0.82 0.00 0.00 66.70 66.70 3hax h VAL 52 Cb 0.80 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 3hax h VAL 52 CO 0.07 0.25 -0.44 -0.07 0.02 0.00 0.00 177.57 177.40 3hax h LEU 53 N 0.11 0.00 0.00 2.57 3.38 -0.83 -3.48 115.31 117.07 3hax h LEU 53 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hax h LEU 53 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3hax h LEU 53 CO 0.01 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.59 3hax n GLY 54 N 0.82 1.01 0.07 0.83 0.00 0.22 -5.08 105.19 103.06 3hax n GLY 54 Ca 0.01 -0.22 0.16 0.00 0.00 0.00 0.00 46.02 45.97 3hax n GLY 54 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71