#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 0.00 -0.15 1.57 1.56 -1.26 -5.05 117.12 113.79 1r2a n MET 2 Ca 0.00 -1.63 0.00 0.00 -0.27 0.00 0.00 57.70 55.80 1r2a n MET 2 Cb 0.00 -0.14 0.00 0.00 2.15 0.00 0.00 33.22 35.23 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 0.32 -0.30 3.64 -5.12 0.00 -1.26 -5.14 105.19 97.33 1r2a n GLY 3 Ca 0.03 -0.74 -0.06 0.00 0.00 0.00 0.00 46.02 45.26 1r2a n GLY 3 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1r2a s HIS 4 N 0.00 -0.87 -0.81 1.61 -3.43 -1.26 -5.07 115.29 105.46 1r2a s HIS 4 Ca 0.00 1.76 0.02 0.00 -0.80 0.00 0.00 55.06 56.04 1r2a s HIS 4 Cb 0.00 0.52 0.31 0.00 -1.43 0.00 0.00 32.58 31.97 1r2a s HIS 4 CO 0.00 -0.43 1.22 1.51 -2.00 0.00 0.00 174.74 175.04 1r2a n ILE 5 N 3.98 4.11 -3.45 -5.38 3.06 -1.26 -5.04 119.36 115.39 1r2a n ILE 5 Ca -0.19 -5.67 -0.22 0.00 -2.50 0.00 0.00 62.75 54.17 1r2a n ILE 5 Cb 0.58 -1.76 0.01 0.00 0.54 0.00 0.00 39.64 39.01 1r2a n ILE 5 CO 0.00 0.00 0.00 -1.10 -2.50 0.00 0.00 176.55 172.95 1r2a s GLN 6 N -3.28 2.40 -0.48 9.51 -0.21 -1.26 -5.07 119.66 121.27 1r2a s GLN 6 Ca 0.40 -1.69 -0.16 0.00 0.02 0.00 0.00 55.36 53.93 1r2a s GLN 6 Cb 0.18 -2.41 0.08 0.00 1.00 0.00 0.00 33.01 31.85 1r2a s GLN 6 CO -0.05 -0.54 0.41 0.42 -2.12 0.00 0.00 175.29 173.41 1r2a s ILE 7 N -2.62 5.22 0.47 1.08 -1.09 -1.26 -5.05 121.20 117.95 1r2a s ILE 7 Ca 0.49 -1.07 -0.22 0.00 -2.23 0.00 0.00 60.65 57.61 1r2a s ILE 7 Cb -0.04 -4.15 -0.07 0.00 -1.58 0.00 0.00 42.46 36.62 1r2a s ILE 7 CO 0.30 -0.61 1.15 -2.16 -1.23 0.00 0.00 174.94 172.39 1r2a s PRO 8 N 1.68 3.70 1.01 2.79 0.04 -1.26 -5.02 135.00 137.94 1r2a s PRO 8 Ca 0.04 1.71 -0.13 0.00 0.04 0.00 0.00 61.00 62.66 1r2a s PRO 8 Cb -0.24 -2.32 0.19 0.00 0.04 0.00 0.00 34.50 32.16 1r2a s PRO 8 CO 0.07 -0.58 1.11 -1.25 0.04 0.00 0.00 177.00 176.38 1r2a s PRO 9 N -2.82 0.33 0.00 0.56 0.04 -1.26 -4.01 135.00 127.84 1r2a s PRO 9 Ca 0.65 0.35 0.00 0.00 0.04 0.00 0.00 61.00 62.04 1r2a s PRO 9 Cb -0.27 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1r2a s PRO 9 CO 0.32 -2.76 0.00 0.41 0.04 0.00 0.00 177.00 175.01 1r2a n GLY 10 N -1.38 2.95 0.14 0.56 0.00 -1.26 -4.79 105.19 101.40 1r2a n GLY 10 Ca 0.06 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 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 0.47 0.59 0.99 5.85 -1.99 -3.28 115.31 117.94 1r2a h LEU 11 Ca 0.00 -0.92 -0.02 0.00 0.84 0.00 0.00 57.88 57.78 1r2a h LEU 11 Cb 0.00 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1r2a h LEU 11 CO 0.00 1.79 -0.39 0.74 -0.34 0.00 0.00 178.44 180.24 1r2a h THR 12 N -0.02 0.21 -0.38 1.05 2.02 -1.87 0.65 112.91 114.57 1r2a h THR 12 Ca -0.37 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.92 1r2a h THR 12 Cb 1.99 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 1r2a h THR 12 CO 0.10 0.00 0.40 -0.08 0.37 0.00 0.00 175.52 176.31 1r2a h GLU 13 N -0.93 0.00 0.00 6.66 4.57 -1.97 0.16 114.58 123.08 1r2a h GLU 13 Ca -0.07 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1r2a h GLU 13 Cb 0.77 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 1r2a h GLU 13 CO 0.05 0.00 -0.05 -0.07 -1.18 0.00 0.00 179.01 177.76 1r2a h LEU 14 N 0.00 0.04 0.20 1.64 3.38 -1.27 -2.65 115.31 116.65 1r2a h LEU 14 Ca 0.18 -0.87 -0.01 0.00 0.09 0.00 0.00 57.88 57.27 1r2a h LEU 14 Cb 0.97 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1r2a h LEU 14 CO -0.00 0.91 -0.10 -0.07 0.09 0.00 0.00 178.44 179.27 1r2a h LEU 15 N -0.82 -0.23 -0.81 1.67 4.07 0.20 -2.64 115.31 116.74 1r2a h LEU 15 Ca -0.01 -0.25 0.14 0.00 0.08 0.00 0.00 57.88 57.85 1r2a h LEU 15 Cb 0.92 0.06 -0.09 0.00 1.08 0.00 0.00 40.66 42.62 1r2a h LEU 15 CO 0.01 0.15 0.39 -0.61 -1.08 0.00 0.00 178.44 177.30 1r2a h GLN 16 N -0.64 0.55 -0.08 1.13 4.15 -0.89 -0.70 115.11 118.64 1r2a h GLN 16 Ca -0.03 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.39 1r2a h GLN 16 Cb 0.46 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.98 1r2a h GLN 16 CO 0.04 0.37 -0.16 0.78 -1.93 0.00 0.00 178.83 177.93 1r2a h GLY 17 N 0.57 -0.13 -0.09 2.39 0.00 -1.39 -1.74 103.07 102.68 1r2a h GLY 17 Ca 0.44 0.19 0.12 0.00 0.00 0.00 0.00 47.33 48.08 1r2a h GLY 17 CO -0.37 -0.15 -0.09 -1.82 0.00 0.00 0.00 176.54 174.11 1r2a h TYR 18 N -0.22 -0.20 -0.81 5.60 3.20 -0.77 0.27 116.97 124.04 1r2a h TYR 18 Ca 0.08 0.05 0.11 0.00 3.14 0.00 0.00 58.73 62.10 1r2a h TYR 18 Cb 0.33 0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.72 1r2a h TYR 18 CO -0.25 -0.21 0.53 1.15 -1.64 0.00 0.00 178.16 177.74 1r2a h THR 19 N 0.04 0.92 0.00 1.81 2.02 -0.74 0.27 112.91 117.24 1r2a h THR 19 Ca 0.29 -0.24 -0.08 0.00 0.77 0.00 0.00 66.41 67.14 1r2a h THR 19 Cb 0.45 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1r2a h THR 19 CO -0.55 0.13 -0.38 0.58 0.37 0.00 0.00 175.52 175.66 1r2a h VAL 20 N 0.71 0.79 0.00 3.16 2.07 0.24 -2.98 116.25 120.24 1r2a h VAL 20 Ca 0.38 -1.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.19 1r2a h VAL 20 Cb 0.51 2.08 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1r2a h VAL 20 CO -0.15 0.38 -0.45 -0.33 0.02 0.00 0.00 177.57 177.03 1r2a h GLU 21 N 0.00 0.00 -1.17 1.57 5.08 0.59 -2.98 114.58 117.67 1r2a h GLU 21 Ca -0.00 0.00 0.33 0.00 -1.00 0.00 0.00 59.36 58.69 1r2a h GLU 21 Cb 1.05 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.24 1r2a h GLU 21 CO 0.05 0.20 0.83 0.28 -1.00 0.00 0.00 179.01 179.37 1r2a h VAL 22 N -1.00 0.42 0.18 3.13 2.07 -0.70 0.66 116.25 121.01 1r2a h VAL 22 Ca -0.05 -0.02 -0.32 0.00 0.82 0.00 0.00 66.70 67.13 1r2a h VAL 22 Cb 0.52 0.36 0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1r2a h VAL 22 CO -0.03 0.01 -1.48 0.25 0.02 0.00 0.00 177.57 176.34 1r2a h LEU 23 N 0.06 0.60 -0.27 2.57 5.85 -1.66 -1.01 115.31 121.45 1r2a h LEU 23 Ca 0.57 -0.71 -0.14 0.00 0.84 0.00 0.00 57.88 58.43 1r2a h LEU 23 Cb 2.16 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.98 1r2a h LEU 23 CO -0.05 1.58 -0.68 0.03 -0.34 0.00 0.00 178.44 178.97 1r2a h ARG 24 N 0.10 0.00 -1.24 1.25 2.47 -0.38 -3.35 114.38 113.24 1r2a h ARG 24 Ca -0.24 0.00 -0.42 0.00 -1.26 0.00 0.00 59.98 58.06 1r2a h ARG 24 Cb 2.08 0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 29.99 1r2a h ARG 24 CO 0.22 0.68 -1.09 0.00 0.56 0.00 0.00 179.97 180.34 1r2a n GLN 25 N -3.40 1.64 -1.33 0.04 0.00 0.19 -5.06 117.38 109.45 1r2a n GLN 25 Ca 0.00 -3.56 -0.33 0.00 0.00 0.00 0.00 57.00 53.12 1r2a n GLN 25 Cb 0.76 -1.51 -0.15 0.00 0.00 0.00 0.00 30.24 29.34 1r2a n GLN 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1r2a n GLN 26 N -0.12 0.00 -1.49 2.61 6.02 -0.38 -4.76 117.38 119.26 1r2a n GLN 26 Ca 0.17 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.87 1r2a n GLN 26 Cb 0.76 -1.24 0.11 0.00 1.02 0.00 0.00 30.24 30.89 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 7.63 1.67 0.09 -1.09 0.04 -1.26 -4.98 135.00 137.10 1r2a s PRO 27 Ca 1.20 0.57 -0.14 0.00 0.04 0.00 0.00 61.00 62.67 1r2a s PRO 27 Cb -1.04 -1.88 -0.12 0.00 0.04 0.00 0.00 34.50 31.50 1r2a s PRO 27 CO 0.45 -1.89 1.35 -1.00 0.04 0.00 0.00 177.00 175.95 1r2a h PRO 28 N -1.28 0.73 -4.81 0.56 0.13 -2.01 -3.42 132.00 121.90 1r2a h PRO 28 Ca -0.49 -0.48 -0.64 0.00 -0.87 0.00 0.00 66.00 63.52 1r2a h PRO 28 Cb 1.29 0.06 -0.36 0.00 0.13 0.00 0.00 31.00 32.12 1r2a h PRO 28 CO 0.59 1.10 -0.83 -0.51 -0.23 0.00 0.00 178.00 178.13 1r2a s ASP 29 N -6.77 3.40 0.06 1.44 1.01 -1.26 -5.00 116.67 109.54 1r2a s ASP 29 Ca -0.12 -0.84 -0.19 0.00 0.71 0.00 0.00 52.55 52.11 1r2a s ASP 29 Cb 0.08 -1.37 -0.13 0.00 1.01 0.00 0.00 42.92 42.52 1r2a s ASP 29 CO 0.86 -0.09 1.37 0.25 0.21 0.00 0.00 175.17 177.76 1r2a h LEU 30 N 7.94 0.50 0.18 1.23 7.12 -1.99 -1.26 115.31 129.03 1r2a h LEU 30 Ca -0.34 -0.48 0.01 0.00 0.13 0.00 0.00 57.88 57.20 1r2a h LEU 30 Cb 1.11 -0.14 -0.04 0.00 -0.53 0.00 0.00 40.66 41.05 1r2a h LEU 30 CO 0.54 0.87 -0.53 0.58 -0.13 0.00 0.00 178.44 179.77 1r2a h VAL 31 N 0.13 0.01 -0.90 1.05 2.07 -2.00 0.25 116.25 116.85 1r2a h VAL 31 Ca 0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.59 1r2a h VAL 31 Cb 0.74 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 1r2a h VAL 31 CO 0.05 0.00 0.59 -0.78 0.02 0.00 0.00 177.57 177.45 1r2a h ASP 32 N -0.80 0.96 -0.30 0.57 1.82 -1.99 -2.14 116.42 114.53 1r2a h ASP 32 Ca -0.01 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 1r2a h ASP 32 Cb 0.78 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 1r2a h ASP 32 CO -0.25 0.65 0.19 0.15 -1.61 0.00 0.00 179.24 178.37 1r2a h PHE 33 N 1.11 0.38 -0.99 0.28 3.57 -0.12 -1.92 116.94 119.24 1r2a h PHE 33 Ca 0.37 0.01 0.21 0.00 3.53 0.00 0.00 57.97 62.08 1r2a h PHE 33 Cb 0.06 -0.13 -0.10 0.00 2.79 0.00 0.00 35.95 38.57 1r2a h PHE 33 CO -0.00 0.26 0.62 0.00 -2.23 0.00 0.00 178.31 176.95 1r2a h ALA 34 N 1.10 1.87 0.23 2.41 0.00 0.12 0.12 119.26 125.11 1r2a h ALA 34 Ca 0.11 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1r2a h ALA 34 Cb -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1r2a h ALA 34 CO -0.02 -0.23 -0.11 0.28 0.00 0.00 0.00 179.25 179.17 1r2a h VAL 35 N 0.63 0.69 -0.92 0.00 2.07 -1.24 -2.15 116.25 115.33 1r2a h VAL 35 Ca 0.56 -0.94 0.11 0.00 0.82 0.00 0.00 66.70 67.25 1r2a h VAL 35 Cb 1.05 1.12 -0.07 0.00 -1.52 0.00 0.00 31.29 31.88 1r2a h VAL 35 CO -0.33 0.17 0.59 -0.33 0.02 0.00 0.00 177.57 177.68 1r2a h GLU 36 N -0.88 0.85 0.31 1.57 5.08 -0.76 0.53 114.58 121.28 1r2a h GLU 36 Ca -0.03 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1r2a h GLU 36 Cb 0.51 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1r2a h GLU 36 CO 0.05 0.56 -0.15 -0.92 -1.00 0.00 0.00 179.01 177.56 1r2a h TYR 37 N 0.88 -0.39 -0.44 4.33 3.20 -0.81 -1.88 116.97 121.86 1r2a h TYR 37 Ca 0.44 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.30 1r2a h TYR 37 Cb 0.48 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 1r2a h TYR 37 CO -0.00 -0.24 0.29 0.74 -1.64 0.00 0.00 178.16 177.30 1r2a h PHE 38 N -0.63 0.56 -0.80 -3.82 0.04 -1.29 -0.43 116.94 110.57 1r2a h PHE 38 Ca -0.04 0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.81 1r2a h PHE 38 Cb 0.32 -0.19 -0.06 0.00 2.20 0.00 0.00 35.95 38.22 1r2a h PHE 38 CO 0.07 0.36 0.48 1.15 -0.60 0.00 0.00 178.31 179.77 1r2a h THR 39 N 0.59 0.98 0.00 -1.55 2.02 -0.05 -1.07 112.91 113.84 1r2a h THR 39 Ca 0.16 -0.29 -0.10 0.00 0.77 0.00 0.00 66.41 66.94 1r2a h THR 39 Cb -0.05 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 1r2a h THR 39 CO -0.03 0.16 -0.49 -0.09 0.37 0.00 0.00 175.52 175.43 1r2a h ARG 40 N 0.85 0.00 -0.67 6.66 2.43 -0.94 -3.13 114.38 119.58 1r2a h ARG 40 Ca 0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 1r2a h ARG 40 Cb 0.23 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1r2a h ARG 40 CO -0.20 0.49 0.43 1.25 -1.51 0.00 0.00 179.97 180.44 1r2a h LEU 41 N 0.00 0.78 -0.98 3.80 5.85 0.27 -1.30 115.31 123.72 1r2a h LEU 41 Ca -0.00 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.77 1r2a h LEU 41 Cb 1.08 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.84 1r2a h LEU 41 CO 0.06 0.57 0.63 0.03 -0.34 0.00 0.00 178.44 179.39 1r2a h ARG 42 N 0.91 1.07 0.02 1.25 2.47 -1.46 -1.90 114.38 116.75 1r2a h ARG 42 Ca 0.24 -0.06 -0.23 0.00 -1.26 0.00 0.00 59.98 58.67 1r2a h ARG 42 Cb -0.09 -0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 27.97 1r2a h ARG 42 CO -0.05 0.71 -1.08 0.93 0.56 0.00 0.00 179.97 181.04 1r2a h GLU 43 N 1.10 0.05 0.00 0.04 4.39 -1.55 -3.24 114.58 115.38 1r2a h GLU 43 Ca 0.44 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 60.06 1r2a h GLU 43 Cb 0.25 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1r2a h GLU 43 CO -0.20 1.02 0.00 0.00 -1.16 0.00 0.00 179.01 178.67 1r2a n ALA 44 N -2.40 -0.26 -0.33 3.43 0.00 -0.55 -2.27 120.51 118.12 1r2a n ALA 44 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.54 1r2a n ALA 44 Cb 0.96 0.18 0.31 0.00 0.00 0.00 0.00 19.45 20.90 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 0.00 0.63 0.00 0.00 2.47 -1.69 -3.51 114.38 112.27 1r2a h ARG 45 Ca 0.00 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1r2a h ARG 45 Cb 0.00 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.18 1r2a h ARG 45 CO 0.00 0.41 0.00 -2.13 0.56 0.00 0.00 179.97 178.81