#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 0.46 -0.95 -0.41 1.56 -1.26 -5.12 117.12 111.40 1r2a n MET 2 Ca 0.00 0.13 0.09 0.00 -0.27 0.00 0.00 57.70 57.65 1r2a n MET 2 Cb 0.00 -1.34 -0.05 0.00 2.15 0.00 0.00 33.22 33.98 1r2a n MET 2 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1r2a n GLY 3 N 2.42 -3.23 1.73 -5.12 0.00 -1.26 -5.00 105.19 94.73 1r2a n GLY 3 Ca -0.35 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 -3.27 -0.11 -2.28 1.61 -0.00 -1.26 -4.90 115.22 105.00 1r2a n HIS 4 Ca -0.05 0.02 -0.26 0.00 -0.00 0.00 0.00 57.72 57.43 1r2a n HIS 4 Cb 0.42 0.37 0.01 0.00 -0.00 0.00 0.00 29.99 30.79 1r2a n HIS 4 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 1r2a n ILE 5 N -2.68 2.44 -2.78 1.59 0.13 -1.26 -4.72 119.36 112.07 1r2a n ILE 5 Ca 0.00 -4.62 0.00 0.00 -1.10 0.00 0.00 62.75 57.03 1r2a n ILE 5 Cb 0.13 -1.21 0.05 0.00 -0.84 0.00 0.00 39.64 37.77 1r2a n ILE 5 CO 0.00 0.00 0.00 1.67 2.80 0.00 0.00 176.55 181.02 1r2a n GLN 6 N -0.58 1.48 -3.99 9.51 7.27 -1.26 -5.06 117.38 124.74 1r2a n GLN 6 Ca 0.41 -3.19 -0.34 0.00 0.07 0.00 0.00 57.00 53.95 1r2a n GLN 6 Cb 0.79 -1.29 -0.15 0.00 2.41 0.00 0.00 30.24 32.01 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 -3.10 2.83 -0.29 1.69 -1.09 -1.26 -5.07 121.20 114.91 1r2a s ILE 7 Ca 0.27 -0.70 -0.29 0.00 -2.23 0.00 0.00 60.65 57.70 1r2a s ILE 7 Cb 0.33 -2.27 -0.01 0.00 -1.58 0.00 0.00 42.46 38.94 1r2a s ILE 7 CO -0.06 0.45 1.48 -2.16 -1.23 0.00 0.00 174.94 173.42 1r2a s PRO 8 N 1.40 3.77 0.53 2.79 0.04 -1.26 -4.99 135.00 137.28 1r2a s PRO 8 Ca 0.05 1.37 -0.19 0.00 0.04 0.00 0.00 61.00 62.27 1r2a s PRO 8 Cb -0.14 -3.99 -0.06 0.00 0.04 0.00 0.00 34.50 30.35 1r2a s PRO 8 CO -0.07 -1.32 1.07 -1.25 0.04 0.00 0.00 177.00 175.47 1r2a s PRO 9 N 4.60 3.53 0.00 0.56 0.04 -1.26 -3.48 135.00 138.99 1r2a s PRO 9 Ca 0.65 1.39 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1r2a s PRO 9 Cb -0.20 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1r2a s PRO 9 CO 0.28 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 177.06 1r2a n GLY 10 N -0.32 3.11 0.21 0.56 0.00 -1.26 -4.86 105.19 102.63 1r2a n GLY 10 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 0.25 -0.97 0.99 5.85 -1.99 -2.69 115.31 116.75 1r2a h LEU 11 Ca 0.00 -0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.52 1r2a h LEU 11 Cb 0.00 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1r2a h LEU 11 CO 0.00 0.59 -0.48 0.74 -0.34 0.00 0.00 178.44 178.95 1r2a h THR 12 N 0.21 1.34 0.20 1.05 2.02 -1.89 -2.50 112.91 113.34 1r2a h THR 12 Ca 0.03 -1.66 -0.01 0.00 0.77 0.00 0.00 66.41 65.54 1r2a h THR 12 Cb 0.72 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 1r2a h THR 12 CO 0.05 0.48 -0.09 -0.08 0.37 0.00 0.00 175.52 176.25 1r2a h GLU 13 N 0.07 -0.26 0.06 6.66 4.81 -1.89 -2.40 114.58 121.63 1r2a h GLU 13 Ca 0.00 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1r2a h GLU 13 Cb 0.87 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 1r2a h GLU 13 CO 0.07 0.14 -0.22 1.25 -0.73 0.00 0.00 179.01 179.52 1r2a h LEU 14 N -0.84 -0.62 -1.12 1.64 6.46 -1.54 -1.72 115.31 117.57 1r2a h LEU 14 Ca -0.03 0.08 0.15 0.00 -0.12 0.00 0.00 57.88 57.96 1r2a h LEU 14 Cb 0.52 0.25 -0.08 0.00 -0.73 0.00 0.00 40.66 40.61 1r2a h LEU 14 CO 0.04 -0.30 0.61 -0.07 -0.62 0.00 0.00 178.44 178.11 1r2a h LEU 15 N -0.38 0.79 -0.73 2.25 -0.00 -1.54 -0.63 115.31 115.06 1r2a h LEU 15 Ca 0.04 0.06 0.10 0.00 -0.00 0.00 0.00 57.88 58.08 1r2a h LEU 15 Cb 0.43 -0.10 -0.08 0.00 -0.00 0.00 0.00 40.66 40.91 1r2a h LEU 15 CO -0.16 0.38 0.35 -0.61 -0.00 0.00 0.00 178.44 178.41 1r2a h GLN 16 N 0.82 0.57 0.24 1.13 4.15 -0.77 -1.70 115.11 119.55 1r2a h GLN 16 Ca 0.50 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.89 1r2a h GLN 16 Cb 0.69 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.22 1r2a h GLN 16 CO -0.27 0.38 -0.31 0.78 -1.93 0.00 0.00 178.83 177.47 1r2a h GLY 17 N 0.59 -0.67 -0.07 2.39 0.00 -0.91 -2.13 103.07 102.26 1r2a h GLY 17 Ca 0.37 0.37 0.14 0.00 0.00 0.00 0.00 47.33 48.20 1r2a h GLY 17 CO -0.29 -0.26 0.05 -1.82 0.00 0.00 0.00 176.54 174.22 1r2a h TYR 18 N -0.61 0.05 -0.88 5.60 3.20 -1.30 0.23 116.97 123.26 1r2a h TYR 18 Ca 0.00 0.05 0.17 0.00 3.14 0.00 0.00 58.73 62.09 1r2a h TYR 18 Cb 0.59 0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.87 1r2a h TYR 18 CO -0.23 -0.15 0.58 1.15 -1.64 0.00 0.00 178.16 177.87 1r2a h THR 19 N 0.16 0.76 0.00 1.81 2.02 -0.69 0.64 112.91 117.61 1r2a h THR 19 Ca 0.35 -0.19 -0.10 0.00 0.77 0.00 0.00 66.41 67.24 1r2a h THR 19 Cb 0.58 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1r2a h THR 19 CO -0.53 0.10 -0.46 0.58 0.37 0.00 0.00 175.52 175.59 1r2a h VAL 20 N 0.56 0.83 0.00 3.16 2.07 -0.12 -2.75 116.25 120.00 1r2a h VAL 20 Ca 0.45 -2.02 0.00 0.00 0.82 0.00 0.00 66.70 65.95 1r2a h VAL 20 Cb 0.91 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1r2a h VAL 20 CO -0.20 0.45 -0.45 -0.33 0.02 0.00 0.00 177.57 177.06 1r2a h GLU 21 N 0.00 0.00 -0.43 1.57 5.08 0.28 -2.88 114.58 118.20 1r2a h GLU 21 Ca -0.00 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.48 1r2a h GLU 21 Cb 1.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1r2a h GLU 21 CO 0.06 0.00 0.42 0.28 -1.00 0.00 0.00 179.01 178.76 1r2a h VAL 22 N -0.98 0.46 0.11 3.13 2.07 -0.03 0.95 116.25 121.96 1r2a h VAL 22 Ca 0.00 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.21 1r2a h VAL 22 Cb 0.45 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1r2a h VAL 22 CO 0.00 0.00 -1.57 0.25 0.02 0.00 0.00 177.57 176.27 1r2a h LEU 23 N 0.00 0.37 0.00 2.57 5.85 -1.62 -3.11 115.31 119.36 1r2a h LEU 23 Ca 0.20 -0.54 -0.08 0.00 0.84 0.00 0.00 57.88 58.31 1r2a h LEU 23 Cb 1.03 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1r2a h LEU 23 CO -0.00 1.45 -0.73 -0.09 -0.34 0.00 0.00 178.44 178.72 1r2a h ARG 24 N 0.06 0.00 -0.84 1.25 1.12 -0.78 -3.38 114.38 111.82 1r2a h ARG 24 Ca -0.26 0.00 0.06 0.00 -1.11 0.00 0.00 59.98 58.67 1r2a h ARG 24 Cb 2.02 0.00 -0.06 0.00 -0.01 0.00 0.00 29.97 31.92 1r2a h ARG 24 CO 0.15 0.38 0.52 1.96 -3.11 0.00 0.00 179.97 179.87 1r2a h GLN 25 N -1.00 0.93 -6.07 0.20 7.50 0.62 -3.46 115.11 113.83 1r2a h GLN 25 Ca -0.12 -0.06 -0.40 0.00 0.50 0.00 0.00 58.65 58.57 1r2a h GLN 25 Cb 0.77 -0.21 0.10 0.00 0.05 0.00 0.00 27.48 28.20 1r2a h GLN 25 CO -0.07 0.62 -0.92 1.04 -1.50 0.00 0.00 178.83 178.00 1r2a n GLN 26 N -4.62 -1.70 -1.67 1.46 6.02 -1.18 -4.93 117.38 110.76 1r2a n GLN 26 Ca 0.12 0.54 -0.32 0.00 -0.01 0.00 0.00 57.00 57.33 1r2a n GLN 26 Cb 0.16 -4.53 0.05 0.00 1.02 0.00 0.00 30.24 26.94 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 -5.69 2.78 0.35 -1.09 0.04 -1.26 -4.95 135.00 125.19 1r2a s PRO 27 Ca 0.43 1.25 0.16 0.00 0.04 0.00 0.00 61.00 62.88 1r2a s PRO 27 Cb -0.13 -1.96 0.63 0.00 0.04 0.00 0.00 34.50 33.08 1r2a s PRO 27 CO 0.84 -1.24 1.72 -1.00 0.04 0.00 0.00 177.00 177.36 1r2a h PRO 28 N -0.26 0.00 -3.99 0.56 0.13 -2.01 -3.42 132.00 123.01 1r2a h PRO 28 Ca -0.46 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.19 1r2a h PRO 28 Cb 1.23 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.99 1r2a h PRO 28 CO 0.54 0.43 -0.79 -0.51 -0.23 0.00 0.00 178.00 177.44 1r2a s ASP 29 N -6.58 1.93 0.06 1.44 1.11 -1.26 -5.01 116.67 108.35 1r2a s ASP 29 Ca -0.01 -0.21 0.03 0.00 0.18 0.00 0.00 52.55 52.54 1r2a s ASP 29 Cb 0.12 -0.66 -0.25 0.00 1.07 0.00 0.00 42.92 43.20 1r2a s ASP 29 CO 0.71 -0.15 1.06 0.25 1.18 0.00 0.00 175.17 178.21 1r2a h LEU 30 N 8.24 0.20 0.17 1.23 5.85 -1.99 -3.09 115.31 125.93 1r2a h LEU 30 Ca -0.25 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.22 1r2a h LEU 30 Cb 1.13 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 1r2a h LEU 30 CO 0.34 1.20 -0.28 0.58 -0.34 0.00 0.00 178.44 179.94 1r2a h VAL 31 N 0.03 0.00 -0.93 1.05 2.07 -1.98 1.03 116.25 117.52 1r2a h VAL 31 Ca -0.13 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.45 1r2a h VAL 31 Cb 1.91 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.62 1r2a h VAL 31 CO 0.15 0.00 0.59 -0.78 0.02 0.00 0.00 177.57 177.55 1r2a h ASP 32 N -0.48 0.93 -0.15 0.57 1.82 -2.00 -1.70 116.42 115.41 1r2a h ASP 32 Ca -0.02 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1r2a h ASP 32 Cb 0.44 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.27 1r2a h ASP 32 CO -0.09 0.59 0.08 0.15 -1.61 0.00 0.00 179.24 178.36 1r2a h PHE 33 N 1.06 0.20 -0.74 0.28 3.57 -1.33 1.00 116.94 120.98 1r2a h PHE 33 Ca 0.41 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 62.02 1r2a h PHE 33 Cb 0.18 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 1r2a h PHE 33 CO -0.02 0.20 0.49 0.00 -2.23 0.00 0.00 178.31 176.75 1r2a h ALA 34 N 0.98 1.96 0.13 2.41 0.00 0.18 0.76 119.26 125.68 1r2a h ALA 34 Ca 0.05 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 1r2a h ALA 34 Cb 0.07 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1r2a h ALA 34 CO -0.01 -0.13 -0.99 0.28 0.00 0.00 0.00 179.25 178.40 1r2a h VAL 35 N 0.53 1.37 0.00 0.00 2.07 -0.54 -2.88 116.25 116.80 1r2a h VAL 35 Ca 0.35 -2.50 -0.05 0.00 0.82 0.00 0.00 66.70 65.33 1r2a h VAL 35 Cb 0.63 3.05 -0.01 0.00 -1.52 0.00 0.00 31.29 33.45 1r2a h VAL 35 CO -0.12 0.71 -0.24 -0.08 0.02 0.00 0.00 177.57 177.86 1r2a h GLU 36 N -0.36 0.00 0.01 1.57 4.81 0.17 -1.62 114.58 119.16 1r2a h GLU 36 Ca -0.19 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1r2a h GLU 36 Cb 1.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.06 1r2a h GLU 36 CO 0.12 0.24 -0.01 -0.92 -0.73 0.00 0.00 179.01 177.71 1r2a h TYR 37 N 0.00 -0.01 -0.33 0.92 3.20 0.44 -3.00 116.97 118.19 1r2a h TYR 37 Ca -0.00 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.94 1r2a h TYR 37 Cb 0.53 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.73 1r2a h TYR 37 CO 0.00 -0.01 -0.14 0.74 -1.64 0.00 0.00 178.16 177.11 1r2a h PHE 38 N -0.20 -0.33 -0.31 -3.82 0.04 -1.60 -0.25 116.94 110.47 1r2a h PHE 38 Ca -0.00 0.03 0.07 0.00 2.80 0.00 0.00 57.97 60.87 1r2a h PHE 38 Cb 0.01 0.20 -0.08 0.00 2.20 0.00 0.00 35.95 38.28 1r2a h PHE 38 CO 0.01 -0.21 -0.24 1.15 -0.60 0.00 0.00 178.31 178.42 1r2a h THR 39 N -0.08 0.38 0.00 -1.55 2.02 -1.47 0.28 112.91 112.49 1r2a h THR 39 Ca 0.17 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 1r2a h THR 39 Cb 0.33 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1r2a h THR 39 CO -0.38 0.00 -0.07 -0.09 0.37 0.00 0.00 175.52 175.35 1r2a h ARG 40 N -0.21 0.00 0.00 6.66 2.43 -1.24 -1.70 114.38 120.31 1r2a h ARG 40 Ca 0.16 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 1r2a h ARG 40 Cb 0.46 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1r2a h ARG 40 CO -0.43 0.07 -0.24 1.25 -1.51 0.00 0.00 179.97 179.11 1r2a h LEU 41 N 0.00 0.00 0.82 3.80 6.46 0.13 -2.76 115.31 123.76 1r2a h LEU 41 Ca -0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 1r2a h LEU 41 Cb 0.23 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.16 1r2a h LEU 41 CO 0.01 0.24 -0.39 0.03 -0.62 0.00 0.00 178.44 177.70 1r2a h ARG 42 N 0.00 -1.06 0.00 1.25 -0.00 -1.00 -2.29 114.38 111.28 1r2a h ARG 42 Ca -0.00 0.07 -0.00 0.00 -0.50 0.00 0.00 59.98 59.55 1r2a h ARG 42 Cb 0.43 0.24 -0.00 0.00 0.00 0.00 0.00 29.97 30.65 1r2a h ARG 42 CO 0.03 -0.71 -0.01 0.93 0.00 0.00 0.00 179.97 180.21 1r2a h GLU 43 N -1.11 0.00 0.00 0.04 5.08 -1.67 -3.00 114.58 113.92 1r2a h GLU 43 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1r2a h GLU 43 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1r2a h GLU 43 CO 0.19 0.01 0.00 0.00 -1.00 0.00 0.00 179.01 178.21 1r2a n ALA 44 N -2.25 -0.39 -0.27 3.43 0.00 -0.88 -2.87 120.51 117.28 1r2a n ALA 44 Ca -0.03 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.68 1r2a n ALA 44 Cb 0.10 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.18 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 0.00 0.18 -0.01 0.00 9.65 -1.51 -3.52 114.38 119.18 1r2a h ARG 45 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1r2a h ARG 45 Cb 0.00 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.54 1r2a h ARG 45 CO 0.00 0.12 0.00 -2.13 2.80 0.00 0.00 179.97 180.76