#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r2a n MET 2 N 0.00 0.00 -3.58 -0.41 3.85 -1.26 -5.09 117.12 110.63 1r2a n MET 2 Ca 0.00 -0.96 -0.16 0.00 -1.00 0.00 0.00 57.70 55.58 1r2a n MET 2 Cb 0.00 -0.42 -0.07 0.00 -1.05 0.00 0.00 33.22 31.68 1r2a n MET 2 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1r2a s GLY 3 N -0.96 -0.53 0.18 3.17 0.00 -1.26 -5.18 107.32 102.75 1r2a s GLY 3 Ca 0.02 1.53 0.07 0.00 0.00 0.00 0.00 44.72 46.33 1r2a s GLY 3 CO -0.01 1.21 -0.13 0.30 0.00 0.00 0.00 173.10 174.47 1r2a s HIS 4 N -0.56 1.57 -0.50 1.90 3.76 -1.26 -5.11 115.29 115.09 1r2a s HIS 4 Ca -0.07 -0.62 -0.02 0.00 -0.15 0.00 0.00 55.06 54.20 1r2a s HIS 4 Cb -0.02 -0.75 0.13 0.00 1.11 0.00 0.00 32.58 33.05 1r2a s HIS 4 CO 0.06 0.27 0.29 0.42 -0.85 0.00 0.00 174.74 174.93 1r2a s ILE 5 N -2.98 3.36 0.25 0.60 1.09 -1.26 -5.06 121.20 117.20 1r2a s ILE 5 Ca 0.20 -2.52 -0.08 0.00 -1.10 0.00 0.00 60.65 57.14 1r2a s ILE 5 Cb -0.00 -3.26 -0.01 0.00 -1.06 0.00 0.00 42.46 38.12 1r2a s ILE 5 CO 0.05 -0.77 0.38 -1.10 -0.10 0.00 0.00 174.94 173.40 1r2a s GLN 6 N 0.55 1.50 -0.30 2.79 -0.21 -1.26 -5.12 119.66 117.61 1r2a s GLN 6 Ca 0.12 -1.42 -0.25 0.00 0.02 0.00 0.00 55.36 53.83 1r2a s GLN 6 Cb -0.22 0.41 0.00 0.00 1.00 0.00 0.00 33.01 34.21 1r2a s GLN 6 CO -0.04 -0.59 0.88 0.42 -2.12 0.00 0.00 175.29 173.84 1r2a s ILE 7 N -3.93 4.72 0.45 1.08 -1.09 -1.26 -5.02 121.20 116.14 1r2a s ILE 7 Ca 0.28 1.43 -0.23 0.00 -2.23 0.00 0.00 60.65 59.90 1r2a s ILE 7 Cb 0.01 -4.22 -0.08 0.00 -1.58 0.00 0.00 42.46 36.59 1r2a s ILE 7 CO 0.11 -0.28 1.11 -2.16 -1.23 0.00 0.00 174.94 172.49 1r2a s PRO 8 N 3.14 3.85 0.36 2.79 0.04 -1.26 -5.00 135.00 138.91 1r2a s PRO 8 Ca 0.37 1.63 -0.26 0.00 0.04 0.00 0.00 61.00 62.78 1r2a s PRO 8 Cb -0.14 -2.37 -0.09 0.00 0.04 0.00 0.00 34.50 31.94 1r2a s PRO 8 CO 0.12 -0.44 1.09 -1.25 0.04 0.00 0.00 177.00 176.56 1r2a s PRO 9 N -2.76 4.31 0.00 0.56 0.04 -1.26 -3.42 135.00 132.47 1r2a s PRO 9 Ca 0.63 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.34 1r2a s PRO 9 Cb -0.25 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.50 1r2a s PRO 9 CO 0.30 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.70 1r2a n GLY 10 N 0.69 3.31 0.13 0.56 0.00 -1.26 -4.93 105.19 103.69 1r2a n GLY 10 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 1r2a n GLY 10 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1r2a h LEU 11 N 0.00 -0.17 -0.01 0.99 5.85 -1.97 -2.50 115.31 117.51 1r2a h LEU 11 Ca 0.00 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.37 1r2a h LEU 11 Cb 0.00 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1r2a h LEU 11 CO 0.00 0.31 0.00 0.74 -0.34 0.00 0.00 178.44 179.15 1r2a h THR 12 N -0.71 1.03 -0.65 1.05 2.02 -1.92 -2.66 112.91 111.07 1r2a h THR 12 Ca -0.02 -0.09 0.11 0.00 0.77 0.00 0.00 66.41 67.18 1r2a h THR 12 Cb 0.51 1.09 -0.08 0.00 -1.74 0.00 0.00 68.15 67.92 1r2a h THR 12 CO 0.03 0.02 0.22 -0.08 0.37 0.00 0.00 175.52 176.09 1r2a h GLU 13 N -0.03 0.37 0.10 6.66 4.81 -1.97 0.17 114.58 124.68 1r2a h GLU 13 Ca 0.00 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1r2a h GLU 13 Cb 0.04 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1r2a h GLU 13 CO -0.00 0.25 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.24 1r2a h LEU 14 N 0.38 -0.60 -0.18 1.64 3.38 -1.17 -0.06 115.31 118.70 1r2a h LEU 14 Ca 0.34 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 1r2a h LEU 14 Cb 0.47 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1r2a h LEU 14 CO -0.36 -0.30 0.08 -0.07 0.09 0.00 0.00 178.44 177.89 1r2a h LEU 15 N -0.39 0.24 -1.55 1.67 3.38 -1.06 -2.25 115.31 115.35 1r2a h LEU 15 Ca 0.03 -0.14 0.17 0.00 0.09 0.00 0.00 57.88 58.03 1r2a h LEU 15 Cb 0.42 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1r2a h LEU 15 CO -0.13 0.32 0.54 -0.61 0.09 0.00 0.00 178.44 178.64 1r2a h GLN 16 N 0.16 0.41 0.29 1.13 4.15 -0.43 -1.29 115.11 119.53 1r2a h GLN 16 Ca 0.06 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1r2a h GLN 16 Cb 0.14 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 1r2a h GLN 16 CO -0.01 0.27 -0.29 0.78 -1.93 0.00 0.00 178.83 177.66 1r2a h GLY 17 N 0.42 -0.65 -0.26 2.39 0.00 -0.38 -1.94 103.07 102.65 1r2a h GLY 17 Ca 0.40 0.33 0.22 0.00 0.00 0.00 0.00 47.33 48.28 1r2a h GLY 17 CO -0.14 -0.26 0.31 -1.82 0.00 0.00 0.00 176.54 174.64 1r2a h TYR 18 N -0.61 0.51 -0.78 5.60 3.20 -1.16 0.49 116.97 124.22 1r2a h TYR 18 Ca -0.01 0.04 0.10 0.00 3.14 0.00 0.00 58.73 62.01 1r2a h TYR 18 Cb 0.56 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.69 1r2a h TYR 18 CO -0.18 -0.10 0.51 1.15 -1.64 0.00 0.00 178.16 177.90 1r2a h THR 19 N 0.32 0.92 0.00 1.81 2.02 -1.17 0.71 112.91 117.52 1r2a h THR 19 Ca 0.54 -0.23 -0.12 0.00 0.77 0.00 0.00 66.41 67.37 1r2a h THR 19 Cb 1.03 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 1r2a h THR 19 CO -0.56 0.12 -0.74 0.58 0.37 0.00 0.00 175.52 175.29 1r2a h VAL 20 N 0.67 0.81 0.00 3.16 2.07 0.21 -2.97 116.25 120.20 1r2a h VAL 20 Ca 0.36 -2.21 -0.07 0.00 0.82 0.00 0.00 66.70 65.60 1r2a h VAL 20 Cb 0.51 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 1r2a h VAL 20 CO -0.14 0.46 -0.51 -0.33 0.02 0.00 0.00 177.57 177.08 1r2a h GLU 21 N 0.00 0.00 -0.97 1.57 5.08 0.33 -2.97 114.58 117.62 1r2a h GLU 21 Ca -0.04 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.46 1r2a h GLU 21 Cb 1.44 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.61 1r2a h GLU 21 CO 0.06 0.59 0.61 0.28 -1.00 0.00 0.00 179.01 179.56 1r2a h VAL 22 N -1.00 0.85 -0.30 3.13 2.07 0.21 0.32 116.25 121.53 1r2a h VAL 22 Ca -0.11 -0.30 -0.18 0.00 0.82 0.00 0.00 66.70 66.94 1r2a h VAL 22 Cb 0.79 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1r2a h VAL 22 CO -0.07 0.16 -0.50 -0.07 0.02 0.00 0.00 177.57 177.11 1r2a h LEU 23 N 0.86 0.96 0.13 2.57 3.38 -1.66 0.21 115.31 121.76 1r2a h LEU 23 Ca 0.50 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1r2a h LEU 23 Cb 0.64 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1r2a h LEU 23 CO -0.27 1.29 -0.06 -0.09 0.09 0.00 0.00 178.44 179.40 1r2a h ARG 24 N 0.65 -0.17 -0.36 1.13 9.65 -1.05 -3.29 114.38 120.93 1r2a h ARG 24 Ca 0.02 0.01 0.08 0.00 -1.10 0.00 0.00 59.98 58.99 1r2a h ARG 24 Cb 1.10 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.70 1r2a h ARG 24 CO 0.11 -0.12 0.25 1.96 2.80 0.00 0.00 179.97 184.98 1r2a h GLN 25 N -0.51 0.13 -6.16 0.20 7.50 -0.56 -3.46 115.11 112.25 1r2a h GLN 25 Ca -0.02 -0.01 -0.42 0.00 0.50 0.00 0.00 58.65 58.70 1r2a h GLN 25 Cb 0.14 -0.03 0.09 0.00 0.05 0.00 0.00 27.48 27.73 1r2a h GLN 25 CO 0.03 0.09 -0.92 0.94 -1.50 0.00 0.00 178.83 177.46 1r2a n GLN 26 N -4.46 -1.70 -2.35 1.46 7.27 0.06 -4.91 117.38 112.74 1r2a n GLN 26 Ca 0.05 0.50 -0.36 0.00 0.07 0.00 0.00 57.00 57.26 1r2a n GLN 26 Cb 0.34 -4.38 -0.02 0.00 2.41 0.00 0.00 30.24 28.60 1r2a n GLN 26 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1r2a s PRO 27 N -5.88 3.83 0.29 3.69 0.04 -1.26 -4.94 135.00 130.78 1r2a s PRO 27 Ca 0.41 1.66 0.09 0.00 0.04 0.00 0.00 61.00 63.21 1r2a s PRO 27 Cb -0.14 -2.38 0.44 0.00 0.04 0.00 0.00 34.50 32.46 1r2a s PRO 27 CO 0.85 -0.46 1.67 -1.00 0.04 0.00 0.00 177.00 178.09 1r2a h PRO 28 N 2.05 0.07 -3.90 0.56 0.13 -1.98 -3.42 132.00 125.51 1r2a h PRO 28 Ca -0.49 -0.04 -0.46 0.00 -0.87 0.00 0.00 66.00 64.14 1r2a h PRO 28 Cb 1.24 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 32.00 1r2a h PRO 28 CO 0.60 0.58 -0.78 -0.51 -0.23 0.00 0.00 178.00 177.67 1r2a s ASP 29 N -6.88 1.69 0.29 1.44 1.01 -1.26 -5.00 116.67 107.95 1r2a s ASP 29 Ca -0.03 -0.15 0.15 0.00 0.71 0.00 0.00 52.55 53.23 1r2a s ASP 29 Cb 0.13 -0.56 0.11 0.00 1.01 0.00 0.00 42.92 43.61 1r2a s ASP 29 CO 0.76 -0.15 1.46 -0.07 0.21 0.00 0.00 175.17 177.38 1r2a h LEU 30 N 8.14 0.00 -0.01 1.23 4.07 -1.98 -3.03 115.31 123.73 1r2a h LEU 30 Ca -0.25 0.00 0.03 0.00 0.08 0.00 0.00 57.88 57.75 1r2a h LEU 30 Cb 1.13 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.83 1r2a h LEU 30 CO 0.33 0.49 -0.24 0.58 -1.08 0.00 0.00 178.44 178.52 1r2a h VAL 31 N 0.00 0.45 -0.09 1.22 2.07 -1.98 1.28 116.25 119.20 1r2a h VAL 31 Ca -0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1r2a h VAL 31 Cb 1.35 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1r2a h VAL 31 CO 0.06 0.00 -0.12 -0.78 0.02 0.00 0.00 177.57 176.76 1r2a h ASP 32 N -0.36 0.26 -0.05 0.57 3.58 -1.99 -2.52 116.42 115.91 1r2a h ASP 32 Ca 0.06 -0.51 0.02 0.00 0.42 0.00 0.00 57.03 57.02 1r2a h ASP 32 Cb 0.45 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.41 1r2a h ASP 32 CO -0.22 0.72 -0.05 0.15 -2.88 0.00 0.00 179.24 176.96 1r2a h PHE 33 N -0.20 -0.12 -0.90 0.28 3.57 -1.37 0.66 116.94 118.86 1r2a h PHE 33 Ca 0.01 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.67 1r2a h PHE 33 Cb 0.66 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.38 1r2a h PHE 33 CO 0.10 -0.08 0.58 0.00 -2.23 0.00 0.00 178.31 176.68 1r2a h ALA 34 N 0.98 1.83 0.11 2.41 0.00 0.16 0.95 119.26 125.70 1r2a h ALA 34 Ca 0.04 0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.70 1r2a h ALA 34 Cb 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1r2a h ALA 34 CO -0.09 -0.08 -1.18 0.28 0.00 0.00 0.00 179.25 178.18 1r2a h VAL 35 N 0.69 1.49 0.00 0.00 2.07 -0.83 -2.91 116.25 116.77 1r2a h VAL 35 Ca 0.46 -2.97 -0.05 0.00 0.82 0.00 0.00 66.70 64.95 1r2a h VAL 35 Cb 0.75 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 33.37 1r2a h VAL 35 CO -0.22 0.87 -0.24 -0.08 0.02 0.00 0.00 177.57 177.92 1r2a h GLU 36 N 0.09 0.00 0.01 1.57 4.81 0.19 -2.69 114.58 118.56 1r2a h GLU 36 Ca -0.12 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1r2a h GLU 36 Cb 1.90 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.28 1r2a h GLU 36 CO 0.19 0.24 -0.00 -0.92 -0.73 0.00 0.00 179.01 177.80 1r2a h TYR 37 N 0.00 -0.01 -0.22 0.92 3.20 0.85 -3.05 116.97 118.66 1r2a h TYR 37 Ca -0.00 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1r2a h TYR 37 Cb 1.08 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 1r2a h TYR 37 CO 0.00 -0.01 0.12 0.74 -1.64 0.00 0.00 178.16 177.38 1r2a h PHE 38 N -0.60 0.23 -0.34 -3.82 0.04 -1.66 -2.26 116.94 108.53 1r2a h PHE 38 Ca -0.00 0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.85 1r2a h PHE 38 Cb 0.01 -0.07 -0.07 0.00 2.20 0.00 0.00 35.95 38.02 1r2a h PHE 38 CO 0.00 0.14 -0.12 1.15 -0.60 0.00 0.00 178.31 178.88 1r2a h THR 39 N 0.26 0.59 -0.08 -1.55 2.02 -1.66 0.27 112.91 112.75 1r2a h THR 39 Ca 0.09 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.29 1r2a h THR 39 Cb -0.00 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1r2a h THR 39 CO -0.04 0.00 0.08 0.03 0.37 0.00 0.00 175.52 175.96 1r2a h ARG 40 N -0.05 0.00 -0.83 6.66 3.08 -1.38 -1.47 114.38 120.39 1r2a h ARG 40 Ca 0.17 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 1r2a h ARG 40 Cb 0.30 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 1r2a h ARG 40 CO -0.38 0.00 0.45 1.25 -1.07 0.00 0.00 179.97 180.22 1r2a h LEU 41 N 0.00 1.03 0.19 3.04 5.85 0.12 -1.38 115.31 124.17 1r2a h LEU 41 Ca 0.04 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1r2a h LEU 41 Cb 0.19 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1r2a h LEU 41 CO -0.00 0.84 -0.37 0.03 -0.34 0.00 0.00 178.44 178.60 1r2a h ARG 42 N 1.15 -0.57 0.00 1.25 -0.00 -1.09 -0.24 114.38 114.87 1r2a h ARG 42 Ca 0.29 0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.81 1r2a h ARG 42 Cb 0.04 0.13 0.00 0.00 0.00 0.00 0.00 29.97 30.14 1r2a h ARG 42 CO -0.05 -0.38 0.00 0.93 0.00 0.00 0.00 179.97 180.47 1r2a h GLU 43 N -0.60 0.00 0.62 0.04 5.08 -1.64 -3.00 114.58 115.08 1r2a h GLU 43 Ca -0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1r2a h GLU 43 Cb 0.56 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.82 1r2a h GLU 43 CO -0.14 0.00 -0.30 0.00 -1.00 0.00 0.00 179.01 177.57 1r2a h ALA 44 N 2.00 -0.84 -1.01 3.43 0.00 0.10 -3.14 119.26 119.79 1r2a h ALA 44 Ca 0.00 -0.20 0.26 0.00 0.00 0.00 0.00 54.91 54.97 1r2a h ALA 44 Cb 0.12 0.32 -0.12 0.00 0.00 0.00 0.00 17.79 18.12 1r2a h ALA 44 CO 0.00 -0.80 0.61 -0.09 0.00 0.00 0.00 179.25 178.97 1r2a h ARG 45 N -1.17 0.52 0.00 0.00 9.65 -1.18 -3.51 114.38 118.68 1r2a h ARG 45 Ca -0.09 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.76 1r2a h ARG 45 Cb 0.67 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 1r2a h ARG 45 CO 0.14 0.34 0.00 -2.13 2.80 0.00 0.00 179.97 181.12