#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 -2.00 -2.73 -0.41 2.00 -1.26 -4.42 117.12 108.30 1r2a n MET 2 Ca 0.00 1.36 -0.43 0.00 0.00 0.00 0.00 57.70 58.63 1r2a n MET 2 Cb 0.00 -2.47 -0.03 0.00 0.00 0.00 0.00 33.22 30.72 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 -5.30 1.46 -0.49 3.03 0.00 -1.26 -4.91 107.32 99.86 1r2a s GLY 3 Ca 0.00 -0.51 0.04 0.00 0.00 0.00 0.00 44.72 44.25 1r2a s GLY 3 CO 0.00 2.16 1.30 1.57 0.00 0.00 0.00 173.10 178.13 1r2a n HIS 4 N 7.21 3.24 -3.61 1.90 -0.00 -1.26 -4.89 115.22 117.81 1r2a n HIS 4 Ca 0.09 -2.85 -0.31 0.00 0.46 0.00 0.00 57.72 55.10 1r2a n HIS 4 Cb 0.48 -0.34 -0.08 0.00 -0.12 0.00 0.00 29.99 29.93 1r2a n HIS 4 CO 0.00 0.00 0.00 1.51 0.46 0.00 0.00 176.34 178.31 1r2a n ILE 5 N -0.54 2.53 -3.36 3.57 0.13 -1.26 -4.93 119.36 115.51 1r2a n ILE 5 Ca 0.43 -5.14 -0.26 0.00 -1.10 0.00 0.00 62.75 56.68 1r2a n ILE 5 Cb 0.64 -2.20 -0.08 0.00 -0.84 0.00 0.00 39.64 37.16 1r2a n ILE 5 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1r2a n GLN 6 N 1.62 1.25 -3.96 9.51 6.02 -1.26 -5.09 117.38 125.46 1r2a n GLN 6 Ca 0.24 -3.75 -0.35 0.00 -0.01 0.00 0.00 57.00 53.14 1r2a n GLN 6 Cb 0.37 -1.68 -0.09 0.00 1.02 0.00 0.00 30.24 29.86 1r2a n GLN 6 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1r2a s ILE 7 N -1.38 4.98 -0.13 5.09 -1.09 -1.26 -5.06 121.20 122.36 1r2a s ILE 7 Ca 0.35 0.03 -0.29 0.00 -2.23 0.00 0.00 60.65 58.51 1r2a s ILE 7 Cb 0.12 -3.23 -0.02 0.00 -1.58 0.00 0.00 42.46 37.75 1r2a s ILE 7 CO -0.10 0.49 1.28 -2.16 -1.23 0.00 0.00 174.94 173.22 1r2a s PRO 8 N 0.04 4.25 0.75 2.79 0.04 -1.26 -5.01 135.00 136.60 1r2a s PRO 8 Ca 0.07 1.71 -0.11 0.00 0.04 0.00 0.00 61.00 62.70 1r2a s PRO 8 Cb -0.12 -3.73 0.04 0.00 0.04 0.00 0.00 34.50 30.74 1r2a s PRO 8 CO 0.00 -0.66 1.08 -1.25 0.04 0.00 0.00 177.00 176.21 1r2a s PRO 9 N 3.24 2.44 0.00 0.56 0.04 -1.26 -3.86 135.00 136.15 1r2a s PRO 9 Ca 0.56 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1r2a s PRO 9 Cb -0.23 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1r2a s PRO 9 CO 0.17 -1.43 0.00 0.41 0.04 0.00 0.00 177.00 176.20 1r2a n GLY 10 N -1.89 2.93 0.10 0.56 0.00 -1.26 -4.81 105.19 100.82 1r2a n GLY 10 Ca 0.07 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 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 0.58 0.99 6.46 -2.00 -3.29 115.31 118.26 1r2a h LEU 11 Ca 0.00 -0.21 -0.03 0.00 -0.12 0.00 0.00 57.88 57.52 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 1.10 -0.30 0.74 -0.62 0.00 0.00 178.44 179.36 1r2a h THR 12 N 0.06 0.38 -0.81 1.05 2.02 -1.87 -1.94 112.91 111.80 1r2a h THR 12 Ca -0.06 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.36 1r2a h THR 12 Cb 1.71 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 1r2a h THR 12 CO 0.15 0.00 0.58 -0.33 0.37 0.00 0.00 175.52 176.29 1r2a h GLU 13 N -0.81 0.01 0.36 6.66 4.39 -1.98 0.13 114.58 123.33 1r2a h GLU 13 Ca -0.08 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 1r2a h GLU 13 Cb 0.64 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1r2a h GLU 13 CO 0.11 0.00 -0.17 1.25 -1.16 0.00 0.00 179.01 179.04 1r2a h LEU 14 N 0.01 -0.41 -0.33 1.33 5.85 -1.44 -2.58 115.31 117.75 1r2a h LEU 14 Ca 0.38 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 1r2a h LEU 14 Cb 1.54 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.66 1r2a h LEU 14 CO -0.01 0.03 0.14 -0.07 -0.34 0.00 0.00 178.44 178.20 1r2a h LEU 15 N -0.97 0.44 -1.62 2.25 4.07 -0.79 -2.25 115.31 116.43 1r2a h LEU 15 Ca -0.05 -0.15 0.19 0.00 0.08 0.00 0.00 57.88 57.95 1r2a h LEU 15 Cb 0.52 -0.11 -0.06 0.00 1.08 0.00 0.00 40.66 42.09 1r2a h LEU 15 CO 0.08 0.47 0.56 -0.61 -1.08 0.00 0.00 178.44 177.86 1r2a h GLN 16 N 0.39 0.33 0.73 1.13 4.15 -0.86 -1.56 115.11 119.42 1r2a h GLN 16 Ca 0.11 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.47 1r2a h GLN 16 Cb 0.15 -0.07 0.01 0.00 0.21 0.00 0.00 27.48 27.78 1r2a h GLN 16 CO -0.01 0.22 -0.35 0.78 -1.93 0.00 0.00 178.83 177.53 1r2a h GLY 17 N 0.34 -1.03 -0.69 2.39 0.00 -0.98 -2.40 103.07 100.71 1r2a h GLY 17 Ca 0.42 0.38 0.36 0.00 0.00 0.00 0.00 47.33 48.49 1r2a h GLY 17 CO -0.13 -0.37 0.78 -1.82 0.00 0.00 0.00 176.54 174.99 1r2a h TYR 18 N -1.04 0.56 -0.26 5.60 3.20 -1.21 0.96 116.97 124.78 1r2a h TYR 18 Ca -0.10 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.68 1r2a h TYR 18 Cb 0.77 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 1r2a h TYR 18 CO -0.01 -0.09 -0.29 1.15 -1.64 0.00 0.00 178.16 177.27 1r2a h THR 19 N 0.21 1.28 0.00 1.81 2.02 -1.19 -1.15 112.91 115.89 1r2a h THR 19 Ca 0.72 -1.36 -0.11 0.00 0.77 0.00 0.00 66.41 66.42 1r2a h THR 19 Cb 2.13 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 69.92 1r2a h THR 19 CO -0.35 0.43 -0.91 0.58 0.37 0.00 0.00 175.52 175.64 1r2a h VAL 20 N 0.45 0.55 0.11 3.16 2.07 0.11 -3.00 116.25 119.69 1r2a h VAL 20 Ca 0.06 -1.90 -0.01 0.00 0.82 0.00 0.00 66.70 65.68 1r2a h VAL 20 Cb 0.74 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1r2a h VAL 20 CO 0.06 0.31 -0.05 -0.33 0.02 0.00 0.00 177.57 177.58 1r2a h GLU 21 N 0.00 -0.14 -0.75 1.57 5.08 -0.47 -2.55 114.58 117.32 1r2a h GLU 21 Ca -0.07 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.39 1r2a h GLU 21 Cb 1.39 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.63 1r2a h GLU 21 CO 0.05 0.19 0.49 0.28 -1.00 0.00 0.00 179.01 179.01 1r2a h VAL 22 N -0.99 0.94 0.00 3.13 2.07 -1.37 0.84 116.25 120.87 1r2a h VAL 22 Ca -0.01 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 1r2a h VAL 22 Cb 0.39 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1r2a h VAL 22 CO 0.02 0.12 -0.21 -0.07 0.02 0.00 0.00 177.57 177.45 1r2a h LEU 23 N 0.67 0.00 0.00 2.57 -0.00 -1.60 0.62 115.31 117.57 1r2a h LEU 23 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.22 1r2a h LEU 23 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.11 1r2a h LEU 23 CO -0.12 0.21 -0.17 -0.09 -0.00 0.00 0.00 178.44 178.27 1r2a h ARG 24 N 0.00 0.00 0.00 1.13 9.65 -0.45 -3.40 114.38 121.31 1r2a h ARG 24 Ca -0.00 0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 58.72 1r2a h ARG 24 Cb 0.85 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.41 1r2a h ARG 24 CO 0.03 0.00 -0.76 -0.56 2.80 0.00 0.00 179.97 181.47 1r2a h GLN 25 N -0.46 0.00 -5.77 0.20 3.07 -1.32 -3.49 115.11 107.34 1r2a h GLN 25 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.59 1r2a h GLN 25 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.73 1r2a h GLN 25 CO 0.00 0.76 -0.64 1.04 0.09 0.00 0.00 178.83 180.09 1r2a n GLN 26 N -3.50 -1.97 -1.72 0.06 6.02 0.21 -4.93 117.38 111.55 1r2a n GLN 26 Ca -0.00 1.68 -0.32 0.00 -0.01 0.00 0.00 57.00 58.34 1r2a n GLN 26 Cb 0.77 -4.45 0.05 0.00 1.02 0.00 0.00 30.24 27.63 1r2a n GLN 26 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1r2a s PRO 27 N -2.92 2.87 0.24 -1.09 0.04 -1.26 -4.96 135.00 127.93 1r2a s PRO 27 Ca 0.20 1.22 0.03 0.00 0.04 0.00 0.00 61.00 62.49 1r2a s PRO 27 Cb -0.04 -1.97 0.26 0.00 0.04 0.00 0.00 34.50 32.79 1r2a s PRO 27 CO 0.81 -1.17 1.58 -1.00 0.04 0.00 0.00 177.00 177.25 1r2a h PRO 28 N -0.19 0.31 -4.29 0.56 0.13 -2.00 -3.41 132.00 123.11 1r2a h PRO 28 Ca -0.46 -0.20 -0.57 0.00 -0.87 0.00 0.00 66.00 63.91 1r2a h PRO 28 Cb 1.23 0.02 -0.37 0.00 0.13 0.00 0.00 31.00 32.01 1r2a h PRO 28 CO 0.55 0.78 -0.80 -0.51 -0.23 0.00 0.00 178.00 177.79 1r2a s ASP 29 N -6.90 2.85 0.01 1.44 1.01 -1.26 -5.01 116.67 108.82 1r2a s ASP 29 Ca -0.05 -0.65 -0.20 0.00 0.71 0.00 0.00 52.55 52.36 1r2a s ASP 29 Cb 0.12 -0.99 -0.21 0.00 1.01 0.00 0.00 42.92 42.86 1r2a s ASP 29 CO 0.80 -0.16 1.16 0.25 0.21 0.00 0.00 175.17 177.43 1r2a h LEU 30 N 8.09 0.50 0.07 1.23 5.85 -1.98 -2.11 115.31 126.95 1r2a h LEU 30 Ca -0.27 -0.69 0.01 0.00 0.84 0.00 0.00 57.88 57.78 1r2a h LEU 30 Cb 1.11 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 1r2a h LEU 30 CO 0.43 1.12 -0.49 0.58 -0.34 0.00 0.00 178.44 179.73 1r2a h VAL 31 N -0.07 0.00 -0.82 1.05 2.07 -1.99 0.65 116.25 117.14 1r2a h VAL 31 Ca -0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1r2a h VAL 31 Cb 1.14 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1r2a h VAL 31 CO 0.09 0.00 0.54 -0.78 0.02 0.00 0.00 177.57 177.45 1r2a h ASP 32 N -0.67 0.88 0.14 0.57 1.82 -2.00 -2.28 116.42 114.88 1r2a h ASP 32 Ca 0.00 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.62 1r2a h ASP 32 Cb 0.69 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.49 1r2a h ASP 32 CO -0.29 0.61 -0.07 0.15 -1.61 0.00 0.00 179.24 178.03 1r2a h PHE 33 N 1.02 -0.18 -0.92 0.28 3.57 -0.48 0.30 116.94 120.53 1r2a h PHE 33 Ca 0.33 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 62.00 1r2a h PHE 33 Cb 0.03 0.06 -0.08 0.00 2.79 0.00 0.00 35.95 38.75 1r2a h PHE 33 CO -0.00 -0.00 0.59 0.00 -2.23 0.00 0.00 178.31 176.67 1r2a h ALA 34 N 0.52 1.97 0.05 2.41 0.00 0.72 0.24 119.26 125.17 1r2a h ALA 34 Ca -0.02 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1r2a h ALA 34 Cb 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1r2a h ALA 34 CO 0.03 -0.26 -0.02 0.28 0.00 0.00 0.00 179.25 179.28 1r2a h VAL 35 N 0.58 1.32 0.00 0.00 2.07 -0.98 -1.70 116.25 117.54 1r2a h VAL 35 Ca 0.49 -1.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 1r2a h VAL 35 Cb 0.96 2.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.99 1r2a h VAL 35 CO -0.23 0.36 -0.01 -0.33 0.02 0.00 0.00 177.57 177.38 1r2a h GLU 36 N -0.76 0.00 0.02 1.57 4.39 -0.26 0.50 114.58 120.05 1r2a h GLU 36 Ca -0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1r2a h GLU 36 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1r2a h GLU 36 CO 0.01 0.01 -0.01 -0.92 -1.16 0.00 0.00 179.01 176.94 1r2a h TYR 37 N 0.00 -0.03 -0.74 4.33 3.20 -0.55 -2.97 116.97 120.21 1r2a h TYR 37 Ca -0.00 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.01 1r2a h TYR 37 Cb 0.02 0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.21 1r2a h TYR 37 CO 0.00 -0.02 0.29 0.74 -1.64 0.00 0.00 178.16 177.53 1r2a h PHE 38 N -0.27 0.49 -0.67 -3.82 0.04 -1.32 0.76 116.94 112.15 1r2a h PHE 38 Ca -0.00 0.04 0.09 0.00 2.80 0.00 0.00 57.97 60.89 1r2a h PHE 38 Cb 0.02 -0.11 -0.07 0.00 2.20 0.00 0.00 35.95 38.00 1r2a h PHE 38 CO 0.01 0.07 0.31 1.15 -0.60 0.00 0.00 178.31 179.26 1r2a h THR 39 N 0.44 0.83 0.00 -1.55 2.02 -1.04 0.51 112.91 114.12 1r2a h THR 39 Ca 0.40 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 67.31 1r2a h THR 39 Cb 0.60 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1r2a h THR 39 CO -0.39 0.10 -0.41 0.03 0.37 0.00 0.00 175.52 175.21 1r2a h ARG 40 N 0.54 0.00 0.00 6.66 3.08 -0.86 -2.79 114.38 121.02 1r2a h ARG 40 Ca 0.33 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.36 1r2a h ARG 40 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 1r2a h ARG 40 CO -0.27 0.41 -0.08 1.25 -1.07 0.00 0.00 179.97 180.21 1r2a h LEU 41 N 0.00 0.00 -0.62 3.04 5.85 0.13 -1.11 115.31 122.60 1r2a h LEU 41 Ca -0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 1r2a h LEU 41 Cb 0.89 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1r2a h LEU 41 CO 0.05 0.08 -0.49 -0.09 -0.34 0.00 0.00 178.44 177.65 1r2a h ARG 42 N 0.00 0.00 -0.56 1.25 2.43 -1.19 -3.06 114.38 113.26 1r2a h ARG 42 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1r2a h ARG 42 Cb 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1r2a h ARG 42 CO 0.01 0.49 0.00 0.39 -1.51 0.00 0.00 179.97 179.35 1r2a n GLU 43 N -3.48 3.34 -0.00 0.20 1.02 -0.48 -4.44 120.64 116.79 1r2a n GLU 43 Ca 0.00 -2.69 -0.00 0.00 -0.02 0.00 0.00 57.16 54.45 1r2a n GLU 43 Cb 0.61 -1.72 -0.00 0.00 -0.02 0.00 0.00 31.44 30.31 1r2a n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1r2a n ALA 44 N 0.89 0.04 -0.11 0.62 0.00 -0.82 -4.67 120.51 116.45 1r2a n ALA 44 Ca 0.22 -0.27 -0.08 0.00 0.00 0.00 0.00 53.44 53.31 1r2a n ALA 44 Cb 0.76 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.19 1r2a n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r2a h ARG 45 N -0.04 -0.28 0.00 0.00 2.47 -1.83 -3.52 114.38 111.19 1r2a h ARG 45 Ca 0.00 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1r2a h ARG 45 Cb 0.04 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 1r2a h ARG 45 CO 0.00 -0.19 0.00 -2.13 0.56 0.00 0.00 179.97 178.21