#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 3.11 -1.05 -1.40 1.56 -1.26 -5.12 117.12 112.96 1r2a n MET 2 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1r2a n MET 2 Cb 0.00 -1.03 0.00 0.00 2.15 0.00 0.00 33.22 34.34 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 3.03 1.40 1.55 -5.12 0.00 -1.26 -5.02 105.19 99.77 1r2a n GLY 3 Ca -0.02 -0.84 0.08 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 1.65 -3.67 1.61 -0.00 -1.26 -4.80 115.22 108.74 1r2a n HIS 4 Ca 0.00 -0.74 -0.30 0.00 -0.00 0.00 0.00 57.72 56.69 1r2a n HIS 4 Cb 0.00 -0.40 -0.15 0.00 -0.00 0.00 0.00 29.99 29.44 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 -2.56 0.58 -0.37 1.59 1.09 -1.26 -4.98 121.20 115.29 1r2a s ILE 5 Ca 0.50 -1.19 0.12 0.00 -1.10 0.00 0.00 60.65 58.98 1r2a s ILE 5 Cb 0.37 -1.45 0.42 0.00 -1.06 0.00 0.00 42.46 40.74 1r2a s ILE 5 CO 0.16 -0.69 1.19 1.67 -0.10 0.00 0.00 174.94 177.17 1r2a n GLN 6 N 4.97 1.17 -1.71 2.79 7.27 -1.26 -5.10 117.38 125.52 1r2a n GLN 6 Ca -0.03 -2.39 -0.43 0.00 0.07 0.00 0.00 57.00 54.22 1r2a n GLN 6 Cb 0.42 -0.54 -0.03 0.00 2.41 0.00 0.00 30.24 32.50 1r2a n GLN 6 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 1r2a n ILE 7 N -0.36 0.12 -2.38 1.69 3.06 -1.26 -4.93 119.36 115.30 1r2a n ILE 7 Ca 0.02 -0.03 -0.41 0.00 -2.50 0.00 0.00 62.75 59.83 1r2a n ILE 7 Cb 0.83 -1.90 -0.04 0.00 0.54 0.00 0.00 39.64 39.08 1r2a n ILE 7 CO 0.00 0.00 0.00 -2.16 -2.50 0.00 0.00 176.55 171.89 1r2a s PRO 8 N 0.93 4.52 1.15 9.51 0.04 -1.26 -5.03 135.00 144.87 1r2a s PRO 8 Ca 0.75 1.89 -0.19 0.00 0.04 0.00 0.00 61.00 63.49 1r2a s PRO 8 Cb -0.54 -3.21 0.27 0.00 0.04 0.00 0.00 34.50 31.07 1r2a s PRO 8 CO 0.35 -0.01 1.18 -1.25 0.04 0.00 0.00 177.00 177.31 1r2a s PRO 9 N -0.76 -0.85 0.00 0.56 0.04 -1.26 -4.18 135.00 128.55 1r2a s PRO 9 Ca 0.50 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.31 1r2a s PRO 9 Cb -0.33 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1r2a s PRO 9 CO 0.40 -3.44 0.00 0.41 0.04 0.00 0.00 177.00 174.41 1r2a n GLY 10 N -1.76 2.85 0.25 0.56 0.00 -1.26 -4.86 105.19 100.97 1r2a n GLY 10 Ca 0.15 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.48 -1.98 0.99 4.07 -2.00 -2.41 115.31 113.50 1r2a h LEU 11 Ca 0.00 -0.10 0.19 0.00 0.08 0.00 0.00 57.88 58.05 1r2a h LEU 11 Cb 0.00 0.12 -0.03 0.00 1.08 0.00 0.00 40.66 41.84 1r2a h LEU 11 CO 0.00 -0.07 0.52 0.74 -1.08 0.00 0.00 178.44 178.55 1r2a h THR 12 N -1.00 0.53 0.37 0.22 2.02 -1.89 -0.91 112.91 112.26 1r2a h THR 12 Ca -0.06 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1r2a h THR 12 Cb 0.55 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1r2a h THR 12 CO 0.10 0.00 -0.18 -0.33 0.37 0.00 0.00 175.52 175.48 1r2a h GLU 13 N 0.00 -0.48 -0.98 6.66 5.08 -1.92 -2.25 114.58 120.68 1r2a h GLU 13 Ca 0.31 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.81 1r2a h GLU 13 Cb 1.35 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 30.64 1r2a h GLU 13 CO -0.00 -0.27 0.62 -0.07 -1.00 0.00 0.00 179.01 178.29 1r2a h LEU 14 N -1.10 0.90 -0.50 1.33 4.07 -0.90 -1.42 115.31 117.70 1r2a h LEU 14 Ca -0.05 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.92 1r2a h LEU 14 Cb 0.43 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 1r2a h LEU 14 CO 0.08 0.50 0.21 -0.07 -1.08 0.00 0.00 178.44 178.09 1r2a h LEU 15 N 0.98 0.67 -1.21 1.67 3.38 -1.24 -2.33 115.31 117.23 1r2a h LEU 15 Ca 0.47 -0.15 0.13 0.00 0.09 0.00 0.00 57.88 58.42 1r2a h LEU 15 Cb 0.45 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 1r2a h LEU 15 CO -0.23 0.64 0.59 -0.61 0.09 0.00 0.00 178.44 178.91 1r2a h GLN 16 N 0.66 0.76 0.26 1.13 4.15 -0.63 -1.66 115.11 119.78 1r2a h GLN 16 Ca 0.17 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.55 1r2a h GLN 16 Cb 0.17 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 1r2a h GLN 16 CO -0.02 0.50 -0.29 0.78 -1.93 0.00 0.00 178.83 177.88 1r2a h GLY 17 N 0.78 -0.63 -0.20 2.39 0.00 -1.13 -1.35 103.07 102.93 1r2a h GLY 17 Ca 0.46 0.33 0.26 0.00 0.00 0.00 0.00 47.33 48.38 1r2a h GLY 17 CO -0.22 -0.25 0.62 -1.82 0.00 0.00 0.00 176.54 174.87 1r2a h TYR 18 N -0.59 0.89 -0.54 5.60 3.20 -1.23 0.47 116.97 124.78 1r2a h TYR 18 Ca -0.00 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 1r2a h TYR 18 Cb 0.55 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 1r2a h TYR 18 CO -0.19 0.04 0.19 1.15 -1.64 0.00 0.00 178.16 177.70 1r2a h THR 19 N 0.49 1.21 0.00 1.81 2.02 -0.95 0.50 112.91 117.98 1r2a h THR 19 Ca 0.64 -0.68 -0.11 0.00 0.77 0.00 0.00 66.41 67.03 1r2a h THR 19 Cb 1.39 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1r2a h THR 19 CO -0.43 0.26 -0.58 0.58 0.37 0.00 0.00 175.52 175.72 1r2a h VAL 20 N 0.78 0.83 0.00 3.16 2.07 0.36 -2.91 116.25 120.54 1r2a h VAL 20 Ca 0.18 -2.20 -0.02 0.00 0.82 0.00 0.00 66.70 65.49 1r2a h VAL 20 Cb 0.20 2.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1r2a h VAL 20 CO -0.01 0.47 -0.19 -0.33 0.02 0.00 0.00 177.57 177.53 1r2a h GLU 21 N 0.00 0.00 -0.61 1.57 5.08 -0.61 -2.89 114.58 117.11 1r2a h GLU 21 Ca -0.02 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.46 1r2a h GLU 21 Cb 1.40 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.62 1r2a h GLU 21 CO 0.06 0.29 0.41 0.28 -1.00 0.00 0.00 179.01 179.05 1r2a h VAL 22 N -1.00 0.84 -0.05 3.13 2.07 -1.07 0.91 116.25 121.07 1r2a h VAL 22 Ca -0.03 -0.11 -0.19 0.00 0.82 0.00 0.00 66.70 67.20 1r2a h VAL 22 Cb 0.41 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1r2a h VAL 22 CO -0.02 0.06 -0.77 0.25 0.02 0.00 0.00 177.57 177.11 1r2a h LEU 23 N 0.31 0.43 0.00 2.57 5.85 -1.63 -2.57 115.31 120.27 1r2a h LEU 23 Ca 0.29 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1r2a h LEU 23 Cb 0.72 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1r2a h LEU 23 CO -0.07 1.05 -0.46 0.54 -0.34 0.00 0.00 178.44 179.16 1r2a n ARG 24 N -3.80 0.35 -0.28 1.25 3.00 -0.17 -4.43 116.66 112.58 1r2a n ARG 24 Ca -0.04 0.39 0.06 0.00 -0.01 0.00 0.00 57.85 58.24 1r2a n ARG 24 Cb 0.73 -1.39 0.21 0.00 0.00 0.00 0.00 32.46 32.01 1r2a n ARG 24 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 1r2a h GLN 25 N -0.74 0.56 -6.07 5.56 -0.00 0.57 -3.46 115.11 111.52 1r2a h GLN 25 Ca 0.00 -0.03 -0.36 0.00 -0.00 0.00 0.00 58.65 58.26 1r2a h GLN 25 Cb 0.46 -0.13 0.08 0.00 0.00 0.00 0.00 27.48 27.90 1r2a h GLN 25 CO 0.00 0.37 -0.82 1.04 0.00 0.00 0.00 178.83 179.42 1r2a n GLN 26 N -4.90 -1.38 -1.33 1.69 6.02 -0.97 -4.93 117.38 111.58 1r2a n GLN 26 Ca 0.16 0.68 -0.31 0.00 -0.01 0.00 0.00 57.00 57.52 1r2a n GLN 26 Cb 0.42 -4.35 0.09 0.00 1.02 0.00 0.00 30.24 27.43 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 -5.28 2.13 0.23 -1.09 0.04 -1.26 -4.96 135.00 124.81 1r2a s PRO 27 Ca 0.36 1.00 0.02 0.00 0.04 0.00 0.00 61.00 62.42 1r2a s PRO 27 Cb -0.12 -1.90 0.22 0.00 0.04 0.00 0.00 34.50 32.75 1r2a s PRO 27 CO 0.84 -1.68 1.56 -1.00 0.04 0.00 0.00 177.00 176.75 1r2a h PRO 28 N -1.15 0.37 -4.36 0.56 0.13 -2.01 -3.42 132.00 122.11 1r2a h PRO 28 Ca -0.45 -0.23 -0.52 0.00 -0.87 0.00 0.00 66.00 63.92 1r2a h PRO 28 Cb 1.24 0.03 -0.36 0.00 0.13 0.00 0.00 31.00 32.04 1r2a h PRO 28 CO 0.54 0.82 -0.81 -0.51 -0.23 0.00 0.00 178.00 177.81 1r2a s ASP 29 N -6.90 2.03 0.04 1.44 1.01 -1.26 -5.02 116.67 108.01 1r2a s ASP 29 Ca -0.05 -0.31 -0.16 0.00 0.71 0.00 0.00 52.55 52.74 1r2a s ASP 29 Cb 0.12 -0.85 -0.28 0.00 1.01 0.00 0.00 42.92 42.92 1r2a s ASP 29 CO 0.81 -0.06 1.09 0.25 0.21 0.00 0.00 175.17 177.47 1r2a h LEU 30 N 7.71 0.81 0.04 1.23 5.85 -1.98 -2.74 115.31 126.23 1r2a h LEU 30 Ca -0.31 -0.82 0.01 0.00 0.84 0.00 0.00 57.88 57.59 1r2a h LEU 30 Cb 1.15 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1r2a h LEU 30 CO 0.44 1.55 -0.25 0.58 -0.34 0.00 0.00 178.44 180.42 1r2a h VAL 31 N 0.18 0.00 -0.94 1.05 2.07 -1.99 0.75 116.25 117.38 1r2a h VAL 31 Ca -0.17 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.44 1r2a h VAL 31 Cb 1.82 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 1r2a h VAL 31 CO 0.22 0.00 0.61 -0.78 0.02 0.00 0.00 177.57 177.63 1r2a h ASP 32 N -0.34 0.90 -0.31 0.57 3.58 -2.01 -1.74 116.42 117.06 1r2a h ASP 32 Ca -0.00 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 1r2a h ASP 32 Cb 0.35 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 1r2a h ASP 32 CO -0.14 0.53 0.15 0.15 -2.88 0.00 0.00 179.24 177.06 1r2a h PHE 33 N 0.99 0.44 -0.71 0.28 3.57 -0.99 -1.75 116.94 118.77 1r2a h PHE 33 Ca 0.43 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 62.06 1r2a h PHE 33 Cb 0.34 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 1r2a h PHE 33 CO -0.00 0.38 0.48 0.00 -2.23 0.00 0.00 178.31 176.94 1r2a h ALA 34 N 1.01 2.21 -0.00 2.41 0.00 0.14 0.11 119.26 125.14 1r2a h ALA 34 Ca 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1r2a h ALA 34 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1r2a h ALA 34 CO -0.01 -0.40 -0.00 0.28 0.00 0.00 0.00 179.25 179.11 1r2a h VAL 35 N 0.32 1.60 -0.83 0.00 2.07 -1.09 -2.72 116.25 115.60 1r2a h VAL 35 Ca 0.35 -1.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.10 1r2a h VAL 35 Cb 0.90 2.79 -0.04 0.00 -1.52 0.00 0.00 31.29 33.42 1r2a h VAL 35 CO -0.09 0.46 0.47 -0.33 0.02 0.00 0.00 177.57 178.10 1r2a h GLU 36 N -0.74 1.15 0.93 1.57 4.39 -0.67 0.40 114.58 121.60 1r2a h GLU 36 Ca -0.00 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.53 1r2a h GLU 36 Cb 0.75 -0.23 0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1r2a h GLU 36 CO 0.00 0.83 -0.45 -0.92 -1.16 0.00 0.00 179.01 177.31 1r2a h TYR 37 N 1.15 -1.16 -0.17 4.33 3.20 -0.89 -1.22 116.97 122.20 1r2a h TYR 37 Ca 0.29 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 1r2a h TYR 37 Cb 0.00 0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1r2a h TYR 37 CO 0.00 -0.72 0.06 0.74 -1.64 0.00 0.00 178.16 176.60 1r2a h PHE 38 N -1.33 0.27 -0.69 -3.82 0.04 -1.44 -1.83 116.94 108.14 1r2a h PHE 38 Ca -0.13 -0.02 0.20 0.00 2.80 0.00 0.00 57.97 60.82 1r2a h PHE 38 Cb 0.96 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 39.00 1r2a h PHE 38 CO 0.00 0.35 0.50 1.15 -0.60 0.00 0.00 178.31 179.72 1r2a h THR 39 N 0.11 0.64 0.12 -1.55 2.02 -0.22 0.14 112.91 114.17 1r2a h THR 39 Ca 0.06 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 66.97 1r2a h THR 39 Cb 0.20 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1r2a h THR 39 CO -0.00 0.00 -1.23 0.03 0.37 0.00 0.00 175.52 174.69 1r2a h ARG 40 N 0.00 0.25 0.00 6.66 3.08 -0.63 -3.20 114.38 120.53 1r2a h ARG 40 Ca 0.33 -0.42 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1r2a h ARG 40 Cb 1.33 0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.54 1r2a h ARG 40 CO -0.00 1.20 -0.00 -0.07 -1.07 0.00 0.00 179.97 180.02 1r2a h LEU 41 N 0.07 0.00 -0.55 3.04 3.38 0.08 0.24 115.31 121.58 1r2a h LEU 41 Ca -0.13 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 1r2a h LEU 41 Cb 1.96 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.69 1r2a h LEU 41 CO 0.20 0.00 -0.49 -0.09 0.09 0.00 0.00 178.44 178.15 1r2a h ARG 42 N 0.00 0.00 -0.44 1.13 2.43 -1.49 -3.12 114.38 112.89 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 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1r2a h ARG 42 CO 0.00 0.49 0.00 0.39 -1.51 0.00 0.00 179.97 179.34 1r2a n GLU 43 N -3.44 2.54 -0.04 0.20 1.02 -0.04 -4.65 120.64 116.25 1r2a n GLU 43 Ca 0.00 -2.19 -0.03 0.00 -0.02 0.00 0.00 57.16 54.92 1r2a n GLU 43 Cb 0.63 -1.40 -0.01 0.00 -0.02 0.00 0.00 31.44 30.64 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 1.04 0.27 -1.43 0.62 0.00 -0.54 -4.83 120.51 115.63 1r2a n ALA 44 Ca 0.16 -0.34 -0.48 0.00 0.00 0.00 0.00 53.44 52.79 1r2a n ALA 44 Cb 0.50 0.01 -0.09 0.00 0.00 0.00 0.00 19.45 19.87 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 -3.38 0.63 0.00 0.00 0.00 -1.24 -5.11 116.66 107.56 1r2a n ARG 45 Ca -0.04 0.13 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 1r2a n ARG 45 Cb 0.16 -2.21 0.00 0.00 0.00 0.00 0.00 32.46 30.41 1r2a n ARG 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17