#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 2.41 -0.54 1.57 -1.94 -1.26 -5.05 119.30 114.49 1r2a s MET 2 Ca 0.00 -1.48 -0.17 0.00 -1.71 0.00 0.00 55.69 52.34 1r2a s MET 2 Cb 0.00 -3.57 0.12 0.00 2.01 0.00 0.00 34.83 33.39 1r2a s MET 2 CO 0.00 -0.88 0.54 0.20 -0.01 0.00 0.00 175.02 174.87 1r2a s GLY 3 N 1.77 2.01 0.02 -0.03 0.00 -1.26 -5.03 107.32 104.80 1r2a s GLY 3 Ca 0.02 -2.41 -0.06 0.00 0.00 0.00 0.00 44.72 42.27 1r2a s GLY 3 CO -0.00 1.28 0.11 -1.58 0.00 0.00 0.00 173.10 172.90 1r2a s HIS 4 N 1.87 0.12 0.13 1.90 5.04 -1.26 -5.16 115.29 117.93 1r2a s HIS 4 Ca 0.05 -0.32 0.11 0.00 -1.54 0.00 0.00 55.06 53.36 1r2a s HIS 4 Cb -0.28 -0.10 -0.04 0.00 0.04 0.00 0.00 32.58 32.20 1r2a s HIS 4 CO 0.04 -0.31 -0.26 -1.50 -2.34 0.00 0.00 174.74 170.36 1r2a s ILE 5 N -1.90 2.22 -0.33 0.89 1.10 -1.26 -5.10 121.20 116.82 1r2a s ILE 5 Ca -0.11 -1.75 -0.06 0.00 -0.51 0.00 0.00 60.65 58.22 1r2a s ILE 5 Cb -0.05 -1.97 0.19 0.00 0.15 0.00 0.00 42.46 40.78 1r2a s ILE 5 CO -0.01 0.07 0.96 -1.58 -2.11 0.00 0.00 174.94 172.28 1r2a s GLN 6 N -2.06 0.29 -0.44 3.50 0.74 -1.26 -5.12 119.66 115.31 1r2a s GLN 6 Ca 0.14 -0.05 -0.22 0.00 0.05 0.00 0.00 55.36 55.27 1r2a s GLN 6 Cb -0.10 0.05 0.02 0.00 1.10 0.00 0.00 33.01 34.08 1r2a s GLN 6 CO 0.06 -0.43 0.74 0.42 -0.55 0.00 0.00 175.29 175.52 1r2a s ILE 7 N 2.09 4.71 0.69 -2.34 1.09 -1.26 -5.04 121.20 121.14 1r2a s ILE 7 Ca 0.16 0.35 -0.13 0.00 -1.10 0.00 0.00 60.65 59.93 1r2a s ILE 7 Cb 0.01 -4.28 0.01 0.00 -1.06 0.00 0.00 42.46 37.15 1r2a s ILE 7 CO -0.15 -0.66 1.09 -2.16 -0.10 0.00 0.00 174.94 172.96 1r2a s PRO 8 N 3.12 2.75 0.79 2.79 0.04 -1.26 -5.03 135.00 138.19 1r2a s PRO 8 Ca 0.27 1.21 -0.11 0.00 0.04 0.00 0.00 61.00 62.41 1r2a s PRO 8 Cb -0.13 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.52 1r2a s PRO 8 CO 0.21 -1.27 1.09 -1.25 0.04 0.00 0.00 177.00 175.83 1r2a s PRO 9 N -4.50 2.18 0.00 0.56 0.04 -1.26 -4.08 135.00 127.94 1r2a s PRO 9 Ca 0.63 0.65 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1r2a s PRO 9 Cb -0.18 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1r2a s PRO 9 CO 0.47 -1.55 0.00 0.41 0.04 0.00 0.00 177.00 176.37 1r2a n GLY 10 N -2.14 3.04 0.15 0.56 0.00 -1.26 -4.86 105.19 100.68 1r2a n GLY 10 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 0.03 0.99 6.46 -1.99 -3.33 115.31 117.47 1r2a h LEU 11 Ca 0.00 -0.01 -0.13 0.00 -0.12 0.00 0.00 57.88 57.63 1r2a h LEU 11 Cb 0.00 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 39.94 1r2a h LEU 11 CO 0.00 0.00 -0.51 0.74 -0.62 0.00 0.00 178.44 178.05 1r2a h THR 12 N 0.00 1.50 0.32 1.05 2.02 -1.89 -2.92 112.91 112.99 1r2a h THR 12 Ca 0.00 -2.16 0.00 0.00 0.77 0.00 0.00 66.41 65.02 1r2a h THR 12 Cb 0.99 2.83 -0.03 0.00 -1.74 0.00 0.00 68.15 70.20 1r2a h THR 12 CO 0.00 0.61 -0.39 -0.33 0.37 0.00 0.00 175.52 175.78 1r2a h GLU 13 N -0.34 -0.73 -0.08 6.66 3.07 -1.98 0.25 114.58 121.43 1r2a h GLU 13 Ca -0.07 0.05 0.04 0.00 -0.50 0.00 0.00 59.36 58.88 1r2a h GLU 13 Cb 1.28 0.17 -0.05 0.00 -0.84 0.00 0.00 28.75 29.30 1r2a h GLU 13 CO 0.10 -0.49 -0.26 -0.07 -1.40 0.00 0.00 179.01 176.89 1r2a h LEU 14 N -0.76 -0.80 -0.97 1.33 3.38 -1.69 -1.34 115.31 114.46 1r2a h LEU 14 Ca -0.02 0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.15 1r2a h LEU 14 Cb 0.70 0.34 -0.07 0.00 0.09 0.00 0.00 40.66 41.72 1r2a h LEU 14 CO -0.11 -0.32 0.61 -0.07 0.09 0.00 0.00 178.44 178.64 1r2a h LEU 15 N -0.36 0.95 -1.01 1.67 4.07 -1.30 -1.09 115.31 118.25 1r2a h LEU 15 Ca 0.09 0.02 0.09 0.00 0.08 0.00 0.00 57.88 58.16 1r2a h LEU 15 Cb 0.49 -0.17 -0.07 0.00 1.08 0.00 0.00 40.66 41.98 1r2a h LEU 15 CO -0.29 0.57 0.64 -0.61 -1.08 0.00 0.00 178.44 177.68 1r2a h GLN 16 N 1.06 1.08 0.07 1.13 4.15 0.61 -1.93 115.11 121.27 1r2a h GLN 16 Ca 0.44 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.81 1r2a h GLN 16 Cb 0.27 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 1r2a h GLN 16 CO -0.20 0.71 -0.22 0.78 -1.93 0.00 0.00 178.83 177.97 1r2a h GLY 17 N 1.11 -0.37 -0.15 2.39 0.00 -0.56 -1.94 103.07 103.55 1r2a h GLY 17 Ca 0.46 0.26 0.13 0.00 0.00 0.00 0.00 47.33 48.18 1r2a h GLY 17 CO -0.21 -0.20 -0.05 -1.82 0.00 0.00 0.00 176.54 174.26 1r2a h TYR 18 N -0.39 -0.14 -0.66 5.60 3.20 -1.27 0.41 116.97 123.72 1r2a h TYR 18 Ca 0.04 0.05 0.15 0.00 3.14 0.00 0.00 58.73 62.11 1r2a h TYR 18 Cb 0.43 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.83 1r2a h TYR 18 CO -0.23 -0.21 0.46 1.15 -1.64 0.00 0.00 178.16 177.69 1r2a h THR 19 N 0.07 0.77 0.00 1.81 2.02 -0.97 0.37 112.91 116.99 1r2a h THR 19 Ca 0.32 -0.09 -0.10 0.00 0.77 0.00 0.00 66.41 67.32 1r2a h THR 19 Cb 0.52 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1r2a h THR 19 CO -0.58 0.05 -0.56 0.58 0.37 0.00 0.00 175.52 175.37 1r2a h VAL 20 N 0.25 0.75 0.00 3.16 2.07 0.27 -3.01 116.25 119.73 1r2a h VAL 20 Ca 0.32 -2.08 -0.03 0.00 0.82 0.00 0.00 66.70 65.73 1r2a h VAL 20 Cb 0.91 2.34 -0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1r2a h VAL 20 CO -0.07 0.43 -0.53 -0.33 0.02 0.00 0.00 177.57 177.09 1r2a h GLU 21 N 0.00 0.00 -0.95 1.57 5.08 0.39 -2.79 114.58 117.88 1r2a h GLU 21 Ca -0.02 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.53 1r2a h GLU 21 Cb 1.37 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.51 1r2a h GLU 21 CO 0.06 0.15 0.53 0.28 -1.00 0.00 0.00 179.01 179.02 1r2a h VAL 22 N -1.00 0.65 0.01 3.13 2.07 -0.56 1.17 116.25 121.71 1r2a h VAL 22 Ca -0.04 -0.22 -0.22 0.00 0.82 0.00 0.00 66.70 67.03 1r2a h VAL 22 Cb 0.55 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1r2a h VAL 22 CO -0.03 0.12 -0.94 0.25 0.02 0.00 0.00 177.57 176.99 1r2a h LEU 23 N 0.64 0.44 0.00 2.57 5.85 -1.69 0.15 115.31 123.27 1r2a h LEU 23 Ca 0.55 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1r2a h LEU 23 Cb 0.90 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1r2a h LEU 23 CO -0.41 1.16 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.69 1r2a h ARG 24 N 0.18 0.04 0.01 1.25 9.65 -0.68 -3.34 114.38 121.48 1r2a h ARG 24 Ca -0.07 -0.05 -0.24 0.00 -1.10 0.00 0.00 59.98 58.52 1r2a h ARG 24 Cb 1.58 0.01 0.01 0.00 -1.39 0.00 0.00 29.97 30.18 1r2a h ARG 24 CO 0.16 0.89 -0.99 1.96 2.80 0.00 0.00 179.97 184.79 1r2a h GLN 25 N -0.80 0.50 -6.07 0.20 1.08 0.12 -3.48 115.11 106.65 1r2a h GLN 25 Ca -0.01 -0.54 -0.41 0.00 -1.45 0.00 0.00 58.65 56.24 1r2a h GLN 25 Cb 0.92 0.16 0.07 0.00 -0.05 0.00 0.00 27.48 28.58 1r2a h GLN 25 CO 0.01 1.18 -0.87 1.04 -0.95 0.00 0.00 178.83 179.25 1r2a n GLN 26 N -3.77 -3.45 -1.57 1.46 6.02 0.51 -4.93 117.38 111.64 1r2a n GLN 26 Ca -0.08 0.59 -0.32 0.00 -0.01 0.00 0.00 57.00 57.18 1r2a n GLN 26 Cb 0.86 -4.93 0.06 0.00 1.02 0.00 0.00 30.24 27.25 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 -5.82 2.62 0.23 -1.09 0.04 -1.26 -4.95 135.00 124.77 1r2a s PRO 27 Ca 0.19 1.28 0.04 0.00 0.04 0.00 0.00 61.00 62.54 1r2a s PRO 27 Cb -0.05 -1.94 0.24 0.00 0.04 0.00 0.00 34.50 32.79 1r2a s PRO 27 CO 0.82 -1.38 1.55 -1.00 0.04 0.00 0.00 177.00 177.04 1r2a h PRO 28 N -0.43 0.25 -5.12 0.56 0.13 -1.99 -3.42 132.00 121.97 1r2a h PRO 28 Ca -0.45 -0.17 -0.67 0.00 -0.87 0.00 0.00 66.00 63.83 1r2a h PRO 28 Cb 1.24 0.03 -0.34 0.00 0.13 0.00 0.00 31.00 32.05 1r2a h PRO 28 CO 0.53 0.78 -0.86 -0.51 -0.23 0.00 0.00 178.00 177.71 1r2a s ASP 29 N -6.90 3.10 -0.03 1.44 1.11 -1.26 -5.00 116.67 109.14 1r2a s ASP 29 Ca -0.04 -0.62 -0.04 0.00 0.18 0.00 0.00 52.55 52.03 1r2a s ASP 29 Cb 0.12 -1.45 -0.28 0.00 1.07 0.00 0.00 42.92 42.38 1r2a s ASP 29 CO 0.80 0.04 0.74 0.25 1.18 0.00 0.00 175.17 178.18 1r2a h LEU 30 N 7.61 0.42 0.03 1.23 5.85 -1.99 -3.14 115.31 125.31 1r2a h LEU 30 Ca -0.38 -0.64 0.03 0.00 0.84 0.00 0.00 57.88 57.72 1r2a h LEU 30 Cb 1.17 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.01 1r2a h LEU 30 CO 0.59 1.55 -0.44 0.58 -0.34 0.00 0.00 178.44 180.38 1r2a h VAL 31 N 0.07 0.13 -0.63 1.05 2.07 -1.99 0.67 116.25 117.62 1r2a h VAL 31 Ca -0.29 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1r2a h VAL 31 Cb 2.04 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1r2a h VAL 31 CO 0.15 0.00 0.28 -0.78 0.02 0.00 0.00 177.57 177.24 1r2a h ASP 32 N -0.61 0.83 -0.46 0.57 3.58 -2.01 -2.54 116.42 115.78 1r2a h ASP 32 Ca 0.04 -0.10 -0.06 0.00 0.42 0.00 0.00 57.03 57.33 1r2a h ASP 32 Cb 0.67 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 1r2a h ASP 32 CO -0.31 0.73 0.06 0.15 -2.88 0.00 0.00 179.24 176.99 1r2a h PHE 33 N 0.90 0.82 -0.85 0.28 3.57 -1.21 -1.95 116.94 118.50 1r2a h PHE 33 Ca 0.22 -0.12 0.06 0.00 3.53 0.00 0.00 57.97 61.66 1r2a h PHE 33 Cb 0.14 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 38.60 1r2a h PHE 33 CO 0.01 0.77 0.55 0.00 -2.23 0.00 0.00 178.31 177.42 1r2a h ALA 34 N 0.94 1.56 0.02 2.41 0.00 0.71 -0.90 119.26 124.01 1r2a h ALA 34 Ca 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1r2a h ALA 34 Cb 0.41 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1r2a h ALA 34 CO 0.01 0.31 -0.01 0.28 0.00 0.00 0.00 179.25 179.85 1r2a h VAL 35 N 0.96 1.34 -0.01 0.00 2.07 -1.15 -2.57 116.25 116.88 1r2a h VAL 35 Ca 0.36 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1r2a h VAL 35 Cb 0.20 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1r2a h VAL 35 CO -0.13 0.29 0.02 -0.33 0.02 0.00 0.00 177.57 177.43 1r2a h GLU 36 N -0.51 0.00 0.03 1.57 4.39 -0.99 0.46 114.58 119.53 1r2a h GLU 36 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1r2a h GLU 36 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1r2a h GLU 36 CO 0.00 0.00 -0.01 -0.92 -1.16 0.00 0.00 179.01 176.92 1r2a h TYR 37 N 0.00 -0.03 -0.29 4.33 3.20 -1.04 -2.90 116.97 120.23 1r2a h TYR 37 Ca 0.01 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.90 1r2a h TYR 37 Cb 0.04 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 1r2a h TYR 37 CO 0.00 -0.02 0.11 0.74 -1.64 0.00 0.00 178.16 177.35 1r2a h PHE 38 N -0.14 0.20 -0.69 -3.82 0.04 -1.45 0.15 116.94 111.22 1r2a h PHE 38 Ca -0.00 0.01 0.13 0.00 2.80 0.00 0.00 57.97 60.91 1r2a h PHE 38 Cb 0.03 -0.05 -0.09 0.00 2.20 0.00 0.00 35.95 38.04 1r2a h PHE 38 CO 0.04 0.10 0.21 1.15 -0.60 0.00 0.00 178.31 179.21 1r2a h THR 39 N 0.25 0.63 0.00 -1.55 2.02 -1.07 0.23 112.91 113.41 1r2a h THR 39 Ca 0.13 -0.12 -0.10 0.00 0.77 0.00 0.00 66.41 67.09 1r2a h THR 39 Cb 0.08 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1r2a h THR 39 CO -0.12 0.06 -0.45 -0.09 0.37 0.00 0.00 175.52 175.29 1r2a h ARG 40 N 0.35 0.00 -0.89 6.66 2.43 -1.20 -3.09 114.38 118.63 1r2a h ARG 40 Ca 0.38 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.71 1r2a h ARG 40 Cb 0.58 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.05 1r2a h ARG 40 CO -0.42 0.45 0.58 1.25 -1.51 0.00 0.00 179.97 180.32 1r2a h LEU 41 N 0.00 0.58 -0.80 3.80 5.85 0.23 0.22 115.31 125.19 1r2a h LEU 41 Ca -0.00 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1r2a h LEU 41 Cb 1.05 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.97 1r2a h LEU 41 CO 0.06 0.27 0.52 0.03 -0.34 0.00 0.00 178.44 178.98 1r2a h ARG 42 N 0.60 1.03 0.00 1.25 -0.00 -1.43 -2.09 114.38 113.74 1r2a h ARG 42 Ca 0.46 -0.06 0.00 0.00 -0.50 0.00 0.00 59.98 59.88 1r2a h ARG 42 Cb 0.86 -0.23 0.00 0.00 0.00 0.00 0.00 29.97 30.60 1r2a h ARG 42 CO -0.20 0.68 -0.43 0.93 0.00 0.00 0.00 179.97 180.94 1r2a h GLU 43 N 1.06 0.00 0.13 0.04 4.39 -1.18 -3.37 114.58 115.65 1r2a h GLU 43 Ca 0.30 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.99 1r2a h GLU 43 Cb -0.09 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1r2a h GLU 43 CO -0.08 0.00 -0.11 0.00 -1.16 0.00 0.00 179.01 177.67 1r2a h ALA 44 N 2.37 -0.88 -0.77 3.43 0.00 0.07 -2.88 119.26 120.59 1r2a h ALA 44 Ca 0.00 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.04 1r2a h ALA 44 Cb 0.82 0.31 -0.12 0.00 0.00 0.00 0.00 17.79 18.80 1r2a h ALA 44 CO 0.00 -0.88 0.17 -0.09 0.00 0.00 0.00 179.25 178.45 1r2a h ARG 45 N -0.23 0.23 0.00 0.00 9.65 -1.74 -3.51 114.38 118.78 1r2a h ARG 45 Ca -0.02 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1r2a h ARG 45 Cb 0.19 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 1r2a h ARG 45 CO -0.00 0.15 0.00 -2.13 2.80 0.00 0.00 179.97 180.79