#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 2.65 0.03 -0.41 1.00 -1.26 -5.12 119.30 116.19 1r2a s MET 2 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 55.69 54.93 1r2a s MET 2 Cb 0.00 -2.35 -0.00 0.00 0.00 0.00 0.00 34.83 32.48 1r2a s MET 2 CO 0.00 0.48 0.00 0.41 0.00 0.00 0.00 175.02 175.91 1r2a n GLY 3 N 2.71 4.12 1.43 -0.03 0.00 -1.26 -5.07 105.19 107.09 1r2a n GLY 3 Ca -0.17 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.75 1r2a n GLY 3 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1r2a n HIS 4 N -0.07 0.58 -4.07 1.61 -0.00 -1.26 -5.04 115.22 106.97 1r2a n HIS 4 Ca -0.01 -1.35 -0.35 0.00 -0.00 0.00 0.00 57.72 56.02 1r2a n HIS 4 Cb 0.04 -0.23 -0.11 0.00 -0.00 0.00 0.00 29.99 29.69 1r2a n HIS 4 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1r2a s ILE 5 N -2.39 4.32 -0.29 1.59 -1.09 -1.26 -5.08 121.20 117.01 1r2a s ILE 5 Ca 0.37 -0.19 0.01 0.00 -2.23 0.00 0.00 60.65 58.61 1r2a s ILE 5 Cb 0.38 -2.95 0.06 0.00 -1.58 0.00 0.00 42.46 38.37 1r2a s ILE 5 CO -0.08 0.44 -0.05 -1.10 -1.23 0.00 0.00 174.94 172.91 1r2a s GLN 6 N 0.74 2.22 -0.27 2.79 -0.21 -1.26 -5.08 119.66 118.59 1r2a s GLN 6 Ca 0.02 -1.39 -0.04 0.00 0.02 0.00 0.00 55.36 53.96 1r2a s GLN 6 Cb -0.14 -3.04 0.02 0.00 1.00 0.00 0.00 33.01 30.85 1r2a s GLN 6 CO 0.02 -0.64 0.02 0.42 -2.12 0.00 0.00 175.29 172.99 1r2a s ILE 7 N 1.13 3.47 0.24 1.08 -1.09 -1.26 -5.08 121.20 119.69 1r2a s ILE 7 Ca -0.05 -0.84 -0.30 0.00 -2.23 0.00 0.00 60.65 57.23 1r2a s ILE 7 Cb -0.20 -2.78 -0.09 0.00 -1.58 0.00 0.00 42.46 37.81 1r2a s ILE 7 CO -0.04 0.14 1.19 -2.16 -1.23 0.00 0.00 174.94 172.83 1r2a s PRO 8 N 1.42 4.52 0.51 2.79 0.04 -1.26 -5.01 135.00 138.00 1r2a s PRO 8 Ca 0.01 1.91 -0.19 0.00 0.04 0.00 0.00 61.00 62.78 1r2a s PRO 8 Cb -0.17 -3.19 -0.08 0.00 0.04 0.00 0.00 34.50 31.10 1r2a s PRO 8 CO -0.01 -0.01 1.04 -1.25 0.04 0.00 0.00 177.00 176.81 1r2a s PRO 9 N -0.87 3.73 0.00 0.56 0.04 -1.26 -3.99 135.00 133.20 1r2a s PRO 9 Ca 0.50 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1r2a s PRO 9 Cb -0.34 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1r2a s PRO 9 CO 0.41 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.37 1r2a n GLY 10 N -0.47 1.41 0.11 0.56 0.00 -1.26 -4.90 105.19 100.65 1r2a n GLY 10 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1r2a n GLY 10 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1r2a h LEU 11 N 0.00 0.00 0.11 0.99 4.07 -2.00 -3.35 115.31 115.13 1r2a h LEU 11 Ca 0.00 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.98 1r2a h LEU 11 Cb 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.70 1r2a h LEU 11 CO 0.00 0.61 -0.36 0.74 -1.08 0.00 0.00 178.44 178.34 1r2a h THR 12 N 0.00 0.24 -0.37 0.22 2.02 -1.90 -1.19 112.91 111.93 1r2a h THR 12 Ca -0.06 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.19 1r2a h THR 12 Cb 1.52 0.24 -0.07 0.00 -1.74 0.00 0.00 68.15 68.10 1r2a h THR 12 CO 0.07 0.00 -0.10 -0.08 0.37 0.00 0.00 175.52 175.78 1r2a h GLU 13 N -0.59 -0.01 -0.13 6.66 4.81 -1.98 0.41 114.58 123.74 1r2a h GLU 13 Ca 0.03 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1r2a h GLU 13 Cb 0.62 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.95 1r2a h GLU 13 CO -0.22 -0.01 -0.24 -0.07 -0.73 0.00 0.00 179.01 177.74 1r2a h LEU 14 N -0.01 -0.75 0.14 1.64 4.07 -1.58 0.17 115.31 119.00 1r2a h LEU 14 Ca 0.18 0.12 -0.01 0.00 0.08 0.00 0.00 57.88 58.25 1r2a h LEU 14 Cb 0.28 0.33 0.00 0.00 1.08 0.00 0.00 40.66 42.36 1r2a h LEU 14 CO -0.39 -0.29 -0.07 -0.07 -1.08 0.00 0.00 178.44 176.54 1r2a h LEU 15 N -0.31 -0.16 -1.70 1.67 -0.00 -0.62 -2.73 115.31 111.47 1r2a h LEU 15 Ca 0.10 -0.21 0.20 0.00 -0.00 0.00 0.00 57.88 57.97 1r2a h LEU 15 Cb 0.46 0.04 -0.05 0.00 -0.00 0.00 0.00 40.66 41.11 1r2a h LEU 15 CO -0.31 0.13 0.56 -0.61 -0.00 0.00 0.00 178.44 178.22 1r2a h GLN 16 N -0.46 0.25 0.53 1.13 4.15 0.04 -1.15 115.11 119.61 1r2a h GLN 16 Ca -0.02 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 1r2a h GLN 16 Cb 0.36 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.00 1r2a h GLN 16 CO 0.03 0.17 -0.29 0.78 -1.93 0.00 0.00 178.83 177.59 1r2a h GLY 17 N 0.26 -0.81 -0.18 2.39 0.00 -0.34 -2.46 103.07 101.93 1r2a h GLY 17 Ca 0.42 0.32 0.19 0.00 0.00 0.00 0.00 47.33 48.25 1r2a h GLY 17 CO -0.11 -0.30 0.24 -1.82 0.00 0.00 0.00 176.54 174.56 1r2a h TYR 18 N -0.77 0.38 -0.85 5.60 3.20 -1.11 0.35 116.97 123.76 1r2a h TYR 18 Ca -0.07 0.04 0.11 0.00 3.14 0.00 0.00 58.73 61.95 1r2a h TYR 18 Cb 0.61 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.78 1r2a h TYR 18 CO -0.07 -0.10 0.55 1.15 -1.64 0.00 0.00 178.16 178.06 1r2a h THR 19 N 0.29 0.93 0.00 1.81 2.02 -1.19 0.51 112.91 117.28 1r2a h THR 19 Ca 0.48 -0.27 -0.12 0.00 0.77 0.00 0.00 66.41 67.27 1r2a h THR 19 Cb 0.86 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1r2a h THR 19 CO -0.54 0.14 -0.61 0.58 0.37 0.00 0.00 175.52 175.46 1r2a h VAL 20 N 0.78 0.94 0.00 3.16 2.07 -0.02 -2.94 116.25 120.25 1r2a h VAL 20 Ca 0.40 -2.35 -0.02 0.00 0.82 0.00 0.00 66.70 65.55 1r2a h VAL 20 Cb 0.49 2.45 -0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1r2a h VAL 20 CO -0.17 0.54 -0.35 -0.33 0.02 0.00 0.00 177.57 177.28 1r2a h GLU 21 N 0.00 0.00 -0.88 1.57 5.08 0.37 -2.83 114.58 117.89 1r2a h GLU 21 Ca -0.01 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.55 1r2a h GLU 21 Cb 1.44 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.63 1r2a h GLU 21 CO 0.07 0.15 0.59 0.28 -1.00 0.00 0.00 179.01 179.11 1r2a h VAL 22 N -1.00 0.67 0.04 3.13 2.07 -0.21 0.47 116.25 121.41 1r2a h VAL 22 Ca -0.03 -0.12 -0.23 0.00 0.82 0.00 0.00 66.70 67.15 1r2a h VAL 22 Cb 0.42 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1r2a h VAL 22 CO -0.02 0.06 -1.01 0.25 0.02 0.00 0.00 177.57 176.87 1r2a h LEU 23 N 0.34 0.35 0.00 2.57 5.85 -1.66 -2.20 115.31 120.56 1r2a h LEU 23 Ca 0.45 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1r2a h LEU 23 Cb 1.23 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1r2a h LEU 23 CO -0.15 1.16 -0.05 -0.09 -0.34 0.00 0.00 178.44 178.98 1r2a h ARG 24 N 0.12 0.00 -0.95 1.25 9.65 -0.50 -3.36 114.38 120.59 1r2a h ARG 24 Ca -0.08 0.00 0.13 0.00 -1.10 0.00 0.00 59.98 58.94 1r2a h ARG 24 Cb 1.68 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 30.17 1r2a h ARG 24 CO 0.16 0.00 0.57 1.96 2.80 0.00 0.00 179.97 185.46 1r2a h GLN 25 N -0.37 0.83 -6.01 0.20 7.50 -0.41 -3.46 115.11 113.40 1r2a h GLN 25 Ca 0.00 -0.05 -0.39 0.00 0.50 0.00 0.00 58.65 58.71 1r2a h GLN 25 Cb 0.05 -0.19 0.10 0.00 0.05 0.00 0.00 27.48 27.49 1r2a h GLN 25 CO 0.00 0.55 -0.89 1.04 -1.50 0.00 0.00 178.83 178.03 1r2a n GLN 26 N -4.71 -2.66 -2.23 1.46 1.13 -0.83 -4.93 117.38 104.62 1r2a n GLN 26 Ca 0.18 0.60 -0.34 0.00 -1.94 0.00 0.00 57.00 55.50 1r2a n GLN 26 Cb 0.39 -4.86 0.00 0.00 0.11 0.00 0.00 30.24 25.88 1r2a n GLN 26 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1r2a s PRO 27 N -5.62 3.37 0.34 -1.09 0.04 -1.26 -4.94 135.00 125.84 1r2a s PRO 27 Ca 0.31 1.47 0.15 0.00 0.04 0.00 0.00 61.00 62.97 1r2a s PRO 27 Cb -0.09 -2.02 0.61 0.00 0.04 0.00 0.00 34.50 33.04 1r2a s PRO 27 CO 0.82 -0.80 1.73 -1.00 0.04 0.00 0.00 177.00 177.78 1r2a h PRO 28 N 1.02 0.00 -4.65 0.56 0.13 -2.00 -3.41 132.00 123.65 1r2a h PRO 28 Ca -0.49 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.04 1r2a h PRO 28 Cb 1.24 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.02 1r2a h PRO 28 CO 0.57 0.45 -0.83 -0.51 -0.23 0.00 0.00 178.00 177.45 1r2a s ASP 29 N -6.69 2.67 0.02 1.44 1.11 -1.26 -5.00 116.67 108.95 1r2a s ASP 29 Ca -0.01 -0.48 -0.06 0.00 0.18 0.00 0.00 52.55 52.18 1r2a s ASP 29 Cb 0.12 -1.17 -0.29 0.00 1.07 0.00 0.00 42.92 42.65 1r2a s ASP 29 CO 0.72 -0.06 0.92 0.25 1.18 0.00 0.00 175.17 178.18 1r2a h LEU 30 N 8.05 0.49 0.07 1.23 5.85 -1.99 -3.12 115.31 125.90 1r2a h LEU 30 Ca -0.38 -0.62 0.01 0.00 0.84 0.00 0.00 57.88 57.73 1r2a h LEU 30 Cb 1.14 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 1r2a h LEU 30 CO 0.53 1.50 -0.34 0.58 -0.34 0.00 0.00 178.44 180.37 1r2a h VAL 31 N 0.09 0.00 -0.65 1.05 2.07 -1.99 0.90 116.25 117.72 1r2a h VAL 31 Ca -0.23 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.33 1r2a h VAL 31 Cb 2.04 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 1r2a h VAL 31 CO 0.19 0.00 0.43 -0.78 0.02 0.00 0.00 177.57 177.43 1r2a h ASP 32 N -0.48 0.63 -0.40 0.57 3.58 -2.01 -1.88 116.42 116.42 1r2a h ASP 32 Ca -0.00 -0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.37 1r2a h ASP 32 Cb 0.49 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 1r2a h ASP 32 CO -0.19 0.43 -0.03 0.15 -2.88 0.00 0.00 179.24 176.72 1r2a h PHE 33 N 0.73 0.81 -0.54 0.28 3.57 -1.20 -1.66 116.94 118.92 1r2a h PHE 33 Ca 0.26 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1r2a h PHE 33 Cb 0.14 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1r2a h PHE 33 CO -0.00 0.82 0.36 0.00 -2.23 0.00 0.00 178.31 177.26 1r2a h ALA 34 N 0.87 1.63 -0.05 2.41 0.00 0.16 -0.73 119.26 123.56 1r2a h ALA 34 Ca 0.11 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1r2a h ALA 34 Cb 0.52 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1r2a h ALA 34 CO 0.03 0.33 -0.39 0.28 0.00 0.00 0.00 179.25 179.50 1r2a h VAL 35 N 0.72 1.44 0.00 0.00 2.07 -1.19 -3.03 116.25 116.26 1r2a h VAL 35 Ca 0.20 -1.84 -0.00 0.00 0.82 0.00 0.00 66.70 65.88 1r2a h VAL 35 Cb -0.05 2.44 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1r2a h VAL 35 CO -0.05 0.53 -0.02 -0.33 0.02 0.00 0.00 177.57 177.72 1r2a h GLU 36 N -0.17 0.00 0.00 1.57 4.39 -0.98 -1.67 114.58 117.72 1r2a h GLU 36 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1r2a h GLU 36 Cb 1.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1r2a h GLU 36 CO 0.08 0.02 0.00 0.98 -1.16 0.00 0.00 179.01 178.93 1r2a n TYR 37 N -3.16 0.00 -0.13 4.33 9.36 -0.31 -2.72 117.16 124.54 1r2a n TYR 37 Ca -0.01 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.16 1r2a n TYR 37 Cb 0.23 -0.44 0.03 0.00 -0.63 0.00 0.00 39.34 38.53 1r2a n TYR 37 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1r2a h PHE 38 N 0.00 0.27 -0.84 2.98 0.04 -1.61 -0.46 116.94 117.32 1r2a h PHE 38 Ca 0.00 0.02 0.15 0.00 2.80 0.00 0.00 57.97 60.94 1r2a h PHE 38 Cb 0.00 -0.06 -0.10 0.00 2.20 0.00 0.00 35.95 38.00 1r2a h PHE 38 CO 0.04 0.11 0.41 1.15 -0.60 0.00 0.00 178.31 179.41 1r2a h THR 39 N 0.32 0.70 0.00 -1.55 2.02 -1.47 0.24 112.91 113.16 1r2a h THR 39 Ca 0.19 -0.20 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 1r2a h THR 39 Cb 0.17 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 1r2a h THR 39 CO -0.19 0.11 -0.26 0.03 0.37 0.00 0.00 175.52 175.58 1r2a h ARG 40 N 0.58 0.00 -0.20 6.66 3.08 -1.14 -3.09 114.38 120.26 1r2a h ARG 40 Ca 0.46 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.46 1r2a h ARG 40 Cb 0.68 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1r2a h ARG 40 CO -0.38 0.26 -0.09 1.25 -1.07 0.00 0.00 179.97 179.95 1r2a h LEU 41 N 0.00 0.30 -2.00 3.04 5.85 0.11 -2.12 115.31 120.49 1r2a h LEU 41 Ca -0.00 -0.06 0.18 0.00 0.84 0.00 0.00 57.88 58.84 1r2a h LEU 41 Cb 0.96 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1r2a h LEU 41 CO 0.03 0.43 0.47 0.03 -0.34 0.00 0.00 178.44 179.06 1r2a h ARG 42 N 0.31 0.00 0.00 1.25 -0.00 -1.40 0.41 114.38 114.95 1r2a h ARG 42 Ca 0.06 0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 59.48 1r2a h ARG 42 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.31 1r2a h ARG 42 CO 0.02 0.00 -0.36 0.93 0.00 0.00 0.00 179.97 180.56 1r2a h GLU 43 N 0.00 0.00 0.00 0.04 5.08 -1.58 -3.38 114.58 114.75 1r2a h GLU 43 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1r2a h GLU 43 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1r2a h GLU 43 CO -0.00 0.32 0.00 0.00 -1.00 0.00 0.00 179.01 178.32 1r2a n ALA 44 N -2.19 -0.07 -0.44 3.43 0.00 0.14 -4.96 120.51 116.43 1r2a n ALA 44 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1r2a n ALA 44 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 1r2a n ALA 44 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1r2a n ARG 45 N -1.14 0.00 0.00 0.00 3.00 -1.10 -5.14 116.66 112.28 1r2a n ARG 45 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.97 1r2a n ARG 45 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 32.46 32.56 1r2a n ARG 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17