#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r2a s MET 2 N 0.00 0.55 0.00 -0.41 -2.45 -1.26 -5.14 119.30 110.59 1r2a s MET 2 Ca 0.00 0.59 0.00 0.00 -1.25 0.00 0.00 55.69 55.03 1r2a s MET 2 Cb 0.00 0.28 0.00 0.00 1.25 0.00 0.00 34.83 36.36 1r2a s MET 2 CO 0.00 -0.99 0.00 0.41 1.05 0.00 0.00 175.02 175.49 1r2a n GLY 3 N 5.42 2.54 3.21 2.11 0.00 -1.26 -5.15 105.19 112.06 1r2a n GLY 3 Ca 0.04 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 45.16 1r2a n GLY 3 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1r2a s HIS 4 N 4.17 1.26 0.09 1.61 4.02 -1.26 -5.16 115.29 120.03 1r2a s HIS 4 Ca 0.00 -0.57 0.08 0.00 1.02 0.00 0.00 55.06 55.59 1r2a s HIS 4 Cb 0.00 -0.68 -0.03 0.00 -1.02 0.00 0.00 32.58 30.85 1r2a s HIS 4 CO 0.00 0.09 -0.20 0.42 1.02 0.00 0.00 174.74 176.07 1r2a s ILE 5 N -2.08 1.61 -0.40 0.60 1.09 -1.26 -5.06 121.20 115.70 1r2a s ILE 5 Ca 0.06 -1.47 0.06 0.00 -1.10 0.00 0.00 60.65 58.21 1r2a s ILE 5 Cb -0.05 -1.47 0.43 0.00 -1.06 0.00 0.00 42.46 40.32 1r2a s ILE 5 CO 0.02 -0.06 1.12 1.67 -0.10 0.00 0.00 174.94 177.59 1r2a n GLN 6 N 1.20 3.30 -4.36 2.79 7.27 -1.26 -5.02 117.38 121.30 1r2a n GLN 6 Ca -0.20 -4.35 -0.34 0.00 0.07 0.00 0.00 57.00 52.19 1r2a n GLN 6 Cb 0.54 -2.18 -0.14 0.00 2.41 0.00 0.00 30.24 30.86 1r2a n GLN 6 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1r2a s ILE 7 N -5.18 3.02 0.28 1.69 -1.09 -1.26 -5.09 121.20 113.58 1r2a s ILE 7 Ca 0.47 -0.64 -0.29 0.00 -2.23 0.00 0.00 60.65 57.96 1r2a s ILE 7 Cb 0.40 -2.31 -0.10 0.00 -1.58 0.00 0.00 42.46 38.88 1r2a s ILE 7 CO -0.13 0.49 1.17 -2.16 -1.23 0.00 0.00 174.94 173.08 1r2a s PRO 8 N 0.91 4.55 1.03 2.79 0.04 -1.26 -5.03 135.00 138.03 1r2a s PRO 8 Ca -0.02 1.92 -0.15 0.00 0.04 0.00 0.00 61.00 62.79 1r2a s PRO 8 Cb -0.15 -3.16 0.21 0.00 0.04 0.00 0.00 34.50 31.44 1r2a s PRO 8 CO -0.00 0.08 1.15 -1.25 0.04 0.00 0.00 177.00 177.01 1r2a s PRO 9 N -1.43 0.15 0.00 0.56 0.04 -1.26 -4.05 135.00 129.02 1r2a s PRO 9 Ca 0.46 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1r2a s PRO 9 Cb -0.34 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1r2a s PRO 9 CO 0.44 -2.83 0.00 0.41 0.04 0.00 0.00 177.00 175.06 1r2a n GLY 10 N -1.87 2.74 0.13 0.56 0.00 -1.26 -4.78 105.19 100.70 1r2a n GLY 10 Ca 0.10 -0.35 -0.07 0.00 0.00 0.00 0.00 46.02 45.70 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 0.22 -0.04 0.99 6.46 -2.00 -3.18 115.31 117.76 1r2a h LEU 11 Ca 0.00 -0.16 -0.00 0.00 -0.12 0.00 0.00 57.88 57.59 1r2a h LEU 11 Cb 0.00 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 39.86 1r2a h LEU 11 CO 0.00 0.93 0.02 0.74 -0.62 0.00 0.00 178.44 179.51 1r2a h THR 12 N 0.11 1.12 -0.27 1.05 2.02 -1.86 0.47 112.91 115.54 1r2a h THR 12 Ca -0.03 -0.34 0.05 0.00 0.77 0.00 0.00 66.41 66.86 1r2a h THR 12 Cb 1.39 1.26 -0.05 0.00 -1.74 0.00 0.00 68.15 69.01 1r2a h THR 12 CO 0.12 0.09 -0.06 -0.08 0.37 0.00 0.00 175.52 175.96 1r2a h GLU 13 N -0.06 0.00 0.00 6.66 4.81 -1.97 0.18 114.58 124.21 1r2a h GLU 13 Ca 0.02 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1r2a h GLU 13 Cb 0.13 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1r2a h GLU 13 CO -0.00 0.00 -0.00 1.25 -0.73 0.00 0.00 179.01 179.53 1r2a h LEU 14 N 0.00 -0.00 0.01 1.64 5.85 -1.51 -2.39 115.31 118.91 1r2a h LEU 14 Ca 0.13 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1r2a h LEU 14 Cb 0.19 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1r2a h LEU 14 CO -0.27 0.19 -0.16 -0.07 -0.34 0.00 0.00 178.44 177.79 1r2a h LEU 15 N -0.19 -0.47 -1.63 2.25 -0.00 -0.56 -0.80 115.31 113.90 1r2a h LEU 15 Ca -0.00 0.07 0.20 0.00 -0.00 0.00 0.00 57.88 58.15 1r2a h LEU 15 Cb 0.19 0.20 -0.06 0.00 -0.00 0.00 0.00 40.66 40.99 1r2a h LEU 15 CO 0.00 -0.22 0.58 -0.61 -0.00 0.00 0.00 178.44 178.19 1r2a h GLN 16 N -0.27 0.30 0.39 1.13 4.15 -0.60 -0.90 115.11 119.31 1r2a h GLN 16 Ca 0.05 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 1r2a h GLN 16 Cb 0.33 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1r2a h GLN 16 CO -0.15 0.20 -0.29 0.78 -1.93 0.00 0.00 178.83 177.44 1r2a h GLY 17 N 0.31 -0.71 -0.02 2.39 0.00 -0.61 -1.65 103.07 102.78 1r2a h GLY 17 Ca 0.44 0.32 0.16 0.00 0.00 0.00 0.00 47.33 48.24 1r2a h GLY 17 CO -0.13 -0.27 0.21 -1.82 0.00 0.00 0.00 176.54 174.53 1r2a h TYR 18 N -0.67 0.33 -0.62 5.60 3.20 -0.96 0.28 116.97 124.13 1r2a h TYR 18 Ca -0.04 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.90 1r2a h TYR 18 Cb 0.57 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.77 1r2a h TYR 18 CO -0.13 -0.05 0.41 1.15 -1.64 0.00 0.00 178.16 177.90 1r2a h THR 19 N 0.31 1.10 0.00 1.81 2.02 -1.13 0.20 112.91 117.21 1r2a h THR 19 Ca 0.41 -0.26 -0.12 0.00 0.77 0.00 0.00 66.41 67.21 1r2a h THR 19 Cb 0.69 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1r2a h THR 19 CO -0.48 0.14 -0.59 0.58 0.37 0.00 0.00 175.52 175.54 1r2a h VAL 20 N 0.75 1.13 0.00 3.16 2.07 0.39 -2.74 116.25 121.01 1r2a h VAL 20 Ca 0.24 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.50 1r2a h VAL 20 Cb 0.05 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1r2a h VAL 20 CO -0.06 0.58 -0.15 -0.33 0.02 0.00 0.00 177.57 177.62 1r2a h GLU 21 N 0.00 0.00 -0.54 1.57 5.08 0.08 -2.64 114.58 118.13 1r2a h GLU 21 Ca -0.01 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.51 1r2a h GLU 21 Cb 1.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1r2a h GLU 21 CO 0.08 0.00 0.59 0.28 -1.00 0.00 0.00 179.01 178.96 1r2a h VAL 22 N -0.58 0.30 0.00 3.13 2.07 -0.83 0.55 116.25 120.90 1r2a h VAL 22 Ca 0.00 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.36 1r2a h VAL 22 Cb 0.15 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1r2a h VAL 22 CO 0.00 0.00 -1.26 0.25 0.02 0.00 0.00 177.57 176.58 1r2a h LEU 23 N 0.00 0.00 0.00 2.57 5.85 -1.62 -2.25 115.31 119.86 1r2a h LEU 23 Ca 0.26 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.92 1r2a h LEU 23 Cb 1.44 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 1r2a h LEU 23 CO -0.00 0.56 -0.52 -0.09 -0.34 0.00 0.00 178.44 178.05 1r2a h ARG 24 N 0.00 0.00 0.00 1.25 9.65 0.36 -3.39 114.38 122.25 1r2a h ARG 24 Ca -0.13 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.57 1r2a h ARG 24 Cb 1.55 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 30.10 1r2a h ARG 24 CO 0.05 0.36 -1.12 -0.56 2.80 0.00 0.00 179.97 181.50 1r2a h GLN 25 N -1.00 0.00 -6.06 0.20 3.07 -1.10 -3.49 115.11 106.73 1r2a h GLN 25 Ca -0.09 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.43 1r2a h GLN 25 Cb 0.65 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.22 1r2a h GLN 25 CO -0.05 0.52 -0.95 0.94 0.09 0.00 0.00 178.83 179.38 1r2a n GLN 26 N -3.10 -2.07 -1.36 0.06 7.27 -0.85 -4.92 117.38 112.41 1r2a n GLN 26 Ca -0.06 1.69 -0.31 0.00 0.07 0.00 0.00 57.00 58.40 1r2a n GLN 26 Cb 0.86 -3.40 0.09 0.00 2.41 0.00 0.00 30.24 30.21 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 -2.43 2.20 0.19 3.69 0.04 -1.26 -4.96 135.00 132.47 1r2a s PRO 27 Ca 0.31 0.98 -0.03 0.00 0.04 0.00 0.00 61.00 62.30 1r2a s PRO 27 Cb -0.05 -1.90 0.12 0.00 0.04 0.00 0.00 34.50 32.71 1r2a s PRO 27 CO 0.80 -1.63 1.51 -1.00 0.04 0.00 0.00 177.00 176.72 1r2a h PRO 28 N -1.11 0.54 -4.04 0.56 0.13 -2.00 -3.41 132.00 122.66 1r2a h PRO 28 Ca -0.45 -0.34 -0.55 0.00 -0.87 0.00 0.00 66.00 63.79 1r2a h PRO 28 Cb 1.24 0.04 -0.38 0.00 0.13 0.00 0.00 31.00 32.03 1r2a h PRO 28 CO 0.54 0.95 -0.78 -0.51 -0.23 0.00 0.00 178.00 177.97 1r2a s ASP 29 N -6.92 2.91 0.24 1.44 1.01 -1.26 -5.00 116.67 109.09 1r2a s ASP 29 Ca -0.07 -0.73 -0.02 0.00 0.71 0.00 0.00 52.55 52.44 1r2a s ASP 29 Cb 0.11 -0.86 0.28 0.00 1.01 0.00 0.00 42.92 43.46 1r2a s ASP 29 CO 0.84 -0.22 1.68 0.25 0.21 0.00 0.00 175.17 177.93 1r2a h LEU 30 N 8.13 0.69 0.06 1.23 5.85 -1.99 -2.61 115.31 126.68 1r2a h LEU 30 Ca -0.21 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1r2a h LEU 30 Cb 1.11 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 1r2a h LEU 30 CO 0.38 0.88 -0.24 0.58 -0.34 0.00 0.00 178.44 179.70 1r2a h VAL 31 N 0.61 0.00 -0.94 1.05 2.07 -1.99 0.61 116.25 117.66 1r2a h VAL 31 Ca 0.09 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.73 1r2a h VAL 31 Cb 0.67 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.35 1r2a h VAL 31 CO 0.05 0.00 0.57 -0.78 0.02 0.00 0.00 177.57 177.43 1r2a h ASP 32 N -0.35 0.82 -0.32 0.57 1.82 -2.00 -1.13 116.42 115.83 1r2a h ASP 32 Ca -0.00 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 1r2a h ASP 32 Cb 0.35 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.24 1r2a h ASP 32 CO -0.13 0.42 0.20 0.15 -1.61 0.00 0.00 179.24 178.28 1r2a h PHE 33 N 0.89 0.42 -0.61 0.28 3.57 -0.94 0.18 116.94 120.73 1r2a h PHE 33 Ca 0.48 0.00 0.04 0.00 3.53 0.00 0.00 57.97 62.02 1r2a h PHE 33 Cb 0.51 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.06 1r2a h PHE 33 CO -0.03 0.29 0.35 0.00 -2.23 0.00 0.00 178.31 176.69 1r2a h ALA 34 N 1.09 0.80 -0.17 2.41 0.00 0.14 1.17 119.26 124.70 1r2a h ALA 34 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1r2a h ALA 34 Cb -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1r2a h ALA 34 CO -0.02 0.06 -0.45 0.28 0.00 0.00 0.00 179.25 179.11 1r2a h VAL 35 N 0.68 1.32 0.00 0.00 2.07 -0.97 -2.16 116.25 117.19 1r2a h VAL 35 Ca 0.26 -1.64 -0.16 0.00 0.82 0.00 0.00 66.70 65.98 1r2a h VAL 35 Cb 0.10 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1r2a h VAL 35 CO -0.14 0.50 -0.74 -0.08 0.02 0.00 0.00 177.57 177.13 1r2a h GLU 36 N 0.34 0.00 0.03 1.57 4.81 0.18 -2.93 114.58 118.59 1r2a h GLU 36 Ca 0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1r2a h GLU 36 Cb 0.93 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.31 1r2a h GLU 36 CO 0.08 0.74 -0.01 -0.92 -0.73 0.00 0.00 179.01 178.17 1r2a h TYR 37 N 0.00 -0.03 -0.40 0.92 3.20 0.15 -2.89 116.97 117.92 1r2a h TYR 37 Ca -0.01 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.94 1r2a h TYR 37 Cb 1.57 0.01 -0.08 0.00 1.54 0.00 0.00 36.73 39.77 1r2a h TYR 37 CO 0.00 -0.02 -0.12 0.74 -1.64 0.00 0.00 178.16 177.12 1r2a h PHE 38 N -0.16 -0.26 -0.98 -3.82 0.04 -1.57 0.36 116.94 110.55 1r2a h PHE 38 Ca -0.00 0.04 0.16 0.00 2.80 0.00 0.00 57.97 60.96 1r2a h PHE 38 Cb 0.03 0.18 -0.09 0.00 2.20 0.00 0.00 35.95 38.27 1r2a h PHE 38 CO 0.03 -0.19 0.61 1.15 -0.60 0.00 0.00 178.31 179.31 1r2a h THR 39 N -0.02 0.81 0.00 -1.55 2.02 -1.68 0.22 112.91 112.71 1r2a h THR 39 Ca 0.19 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 66.99 1r2a h THR 39 Cb 0.32 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 1r2a h THR 39 CO -0.42 0.15 -0.47 -0.09 0.37 0.00 0.00 175.52 175.06 1r2a h ARG 40 N 0.82 0.00 -0.53 6.66 2.43 -0.78 -3.06 114.38 119.92 1r2a h ARG 40 Ca 0.52 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.68 1r2a h ARG 40 Cb 0.73 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.25 1r2a h ARG 40 CO -0.29 0.47 0.30 1.25 -1.51 0.00 0.00 179.97 180.20 1r2a h LEU 41 N 0.00 0.63 -1.19 3.80 5.85 0.12 -2.05 115.31 122.48 1r2a h LEU 41 Ca -0.00 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.77 1r2a h LEU 41 Cb 1.01 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.82 1r2a h LEU 41 CO 0.06 0.49 0.58 0.03 -0.34 0.00 0.00 178.44 179.26 1r2a h ARG 42 N 0.72 0.88 0.00 1.25 3.08 -1.41 0.20 114.38 119.11 1r2a h ARG 42 Ca 0.19 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1r2a h ARG 42 Cb -0.01 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.84 1r2a h ARG 42 CO -0.03 0.58 0.00 0.39 -1.07 0.00 0.00 179.97 179.84 1r2a n GLU 43 N -4.53 0.14 -0.04 0.04 -0.58 -0.77 -2.92 120.64 111.98 1r2a n GLU 43 Ca 0.15 0.35 -0.04 0.00 -0.42 0.00 0.00 57.16 57.20 1r2a n GLU 43 Cb 0.30 -1.76 -0.01 0.00 -0.57 0.00 0.00 31.44 29.40 1r2a n GLU 43 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1r2a n ALA 44 N -1.69 0.35 -0.33 0.62 0.00 0.63 -4.35 120.51 115.74 1r2a n ALA 44 Ca 0.03 -0.41 0.35 0.00 0.00 0.00 0.00 53.44 53.42 1r2a n ALA 44 Cb 0.23 0.01 0.75 0.00 0.00 0.00 0.00 19.45 20.44 1r2a n ALA 44 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1r2a h ARG 45 N -0.57 0.01 0.00 0.00 9.65 -1.46 -3.52 114.38 118.48 1r2a h ARG 45 Ca 0.00 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1r2a h ARG 45 Cb 0.40 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 1r2a h ARG 45 CO 0.00 0.01 0.00 0.54 2.80 0.00 0.00 179.97 183.32