#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l6e n MET 2 N 0.00 0.00 -3.39 -0.41 -0.00 -1.26 -5.09 117.12 106.97 1l6e n MET 2 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.70 57.63 1l6e n MET 2 Cb 0.00 -0.30 -0.07 0.00 -0.00 0.00 0.00 33.22 32.85 1l6e n MET 2 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1l6e s GLY 3 N -2.02 -0.48 0.00 3.17 0.00 -1.26 -5.01 107.32 101.72 1l6e s GLY 3 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 44.72 45.90 1l6e s GLY 3 CO 0.00 2.71 0.00 1.42 0.00 0.00 0.00 173.10 177.23 1l6e n HIS 4 N 5.38 0.00 -2.24 1.90 8.25 -1.26 -4.81 115.22 122.45 1l6e n HIS 4 Ca -0.04 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.13 1l6e n HIS 4 Cb 0.50 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.63 1l6e n HIS 4 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1l6e n ILE 5 N -1.09 2.67 -2.60 1.59 0.13 -1.26 -5.01 119.36 113.79 1l6e n ILE 5 Ca 0.00 -4.58 0.00 0.00 -1.10 0.00 0.00 62.75 57.07 1l6e n ILE 5 Cb 0.10 -1.23 0.00 0.00 -0.84 0.00 0.00 39.64 37.67 1l6e n ILE 5 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1l6e n GLN 6 N -0.56 2.29 -1.28 9.51 10.64 -1.26 -5.09 117.38 131.63 1l6e n GLN 6 Ca 0.44 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 55.22 1l6e n GLN 6 Cb 0.66 0.00 0.02 0.00 -0.86 0.00 0.00 30.24 30.05 1l6e n GLN 6 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 1l6e n ILE 7 N 0.00 0.35 -1.89 -0.39 -0.00 -1.26 -4.89 119.36 111.28 1l6e n ILE 7 Ca 0.00 -0.50 -0.32 0.00 -0.00 0.00 0.00 62.75 61.93 1l6e n ILE 7 Cb 0.00 -0.11 0.02 0.00 -0.00 0.00 0.00 39.64 39.56 1l6e n ILE 7 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1l6e s PRO 8 N -1.19 3.20 0.35 6.28 0.04 -1.26 -5.00 135.00 137.42 1l6e s PRO 8 Ca 0.59 1.11 -0.26 0.00 0.04 0.00 0.00 61.00 62.47 1l6e s PRO 8 Cb -0.48 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 31.94 1l6e s PRO 8 CO 0.64 -0.90 1.08 -1.25 0.04 0.00 0.00 177.00 176.62 1l6e s PRO 9 N -4.41 4.33 0.00 0.56 0.04 -1.26 -3.13 135.00 131.13 1l6e s PRO 9 Ca 0.61 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1l6e s PRO 9 Cb -0.15 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.58 1l6e s PRO 9 CO 0.43 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.85 1l6e n GLY 10 N 0.71 2.74 0.20 0.56 0.00 -1.26 -4.77 105.19 103.37 1l6e n GLY 10 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 1l6e n GLY 10 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1l6e h LEU 11 N 0.00 0.92 0.00 0.99 7.12 -1.95 -3.25 115.31 119.14 1l6e h LEU 11 Ca 0.00 -0.71 0.00 0.00 0.13 0.00 0.00 57.88 57.30 1l6e h LEU 11 Cb 0.00 -0.28 0.00 0.00 -0.53 0.00 0.00 40.66 39.85 1l6e h LEU 11 CO 0.00 1.50 0.00 0.41 -0.13 0.00 0.00 178.44 180.22 1l6e n THR 12 N -3.88 0.00 -0.28 1.05 -1.04 -1.25 0.01 114.28 108.88 1l6e n THR 12 Ca -0.10 1.10 -0.03 0.00 -2.04 0.00 0.00 64.05 62.98 1l6e n THR 12 Cb 0.85 -1.96 -0.00 0.00 -1.82 0.00 0.00 70.33 67.39 1l6e n THR 12 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1l6e n GLU 13 N -0.97 -0.21 -0.19 -2.82 -0.58 -1.26 0.26 120.64 114.87 1l6e n GLU 13 Ca 0.00 1.10 0.04 0.00 -0.42 0.00 0.00 57.16 57.88 1l6e n GLU 13 Cb 0.00 -1.63 0.31 0.00 -0.57 0.00 0.00 31.44 29.54 1l6e n GLU 13 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1l6e h LEU 14 N 0.00 0.75 0.00 -4.62 6.46 -1.57 -1.85 115.31 114.48 1l6e h LEU 14 Ca 0.21 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 1l6e h LEU 14 Cb 0.39 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.15 1l6e h LEU 14 CO -0.70 0.51 0.00 -0.11 -0.62 0.00 0.00 178.44 177.52 1l6e n LEU 15 N -4.46 0.12 -0.57 2.25 -0.00 0.72 -2.30 117.00 112.78 1l6e n LEU 15 Ca 0.09 0.72 0.45 0.00 -0.00 0.00 0.00 56.01 57.28 1l6e n LEU 15 Cb 0.13 -0.46 0.75 0.00 -0.00 0.00 0.00 43.42 43.84 1l6e n LEU 15 CO 0.35 -0.46 1.36 1.56 -0.00 0.00 0.00 177.39 180.20 1l6e h GLN 16 N 0.00 0.02 0.26 1.96 4.20 -1.11 0.69 115.11 121.13 1l6e h GLN 16 Ca 0.00 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1l6e h GLN 16 Cb 0.00 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1l6e h GLN 16 CO 0.00 0.01 -0.12 0.78 -0.67 0.00 0.00 178.83 178.83 1l6e h GLY 17 N 0.02 -0.36 1.57 3.46 0.00 -1.31 0.18 103.07 106.62 1l6e h GLY 17 Ca 0.88 0.13 -0.12 0.00 0.00 0.00 0.00 47.33 48.22 1l6e h GLY 17 CO -0.22 -0.13 -0.40 -1.82 0.00 0.00 0.00 176.54 173.97 1l6e h TYR 18 N -0.62 0.57 -0.70 5.60 3.20 0.51 -2.86 116.97 122.66 1l6e h TYR 18 Ca -0.04 -0.16 -0.07 0.00 3.14 0.00 0.00 58.73 61.60 1l6e h TYR 18 Cb 0.44 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 1l6e h TYR 18 CO 0.01 0.81 0.15 1.15 -1.64 0.00 0.00 178.16 178.64 1l6e h THR 19 N 0.40 1.26 0.00 1.81 2.02 0.07 -2.10 112.91 116.37 1l6e h THR 19 Ca 0.04 -1.01 -0.04 0.00 0.77 0.00 0.00 66.41 66.17 1l6e h THR 19 Cb 0.87 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1l6e h THR 19 CO 0.07 0.38 -0.19 0.58 0.37 0.00 0.00 175.52 176.74 1l6e h VAL 20 N 1.07 1.05 -0.13 3.16 2.07 -0.46 -1.29 116.25 121.72 1l6e h VAL 20 Ca 0.22 -0.66 -0.15 0.00 0.82 0.00 0.00 66.70 66.93 1l6e h VAL 20 Cb 0.40 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1l6e h VAL 20 CO 0.01 0.18 -0.56 -0.33 0.02 0.00 0.00 177.57 176.89 1l6e h GLU 21 N 0.00 0.39 0.21 1.57 5.08 -1.18 -2.45 114.58 118.20 1l6e h GLU 21 Ca -0.00 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1l6e h GLU 21 Cb 0.35 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1l6e h GLU 21 CO 0.02 0.84 -0.10 0.28 -1.00 0.00 0.00 179.01 179.06 1l6e h VAL 22 N 0.30 0.62 0.00 3.13 2.07 -0.94 0.44 116.25 121.87 1l6e h VAL 22 Ca 0.00 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1l6e h VAL 22 Cb 1.07 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1l6e h VAL 22 CO 0.10 0.16 0.20 0.25 0.02 0.00 0.00 177.57 178.29 1l6e h LEU 23 N -0.93 0.00 0.01 2.57 6.46 -1.34 2.96 115.31 125.04 1l6e h LEU 23 Ca -0.03 0.00 -0.24 0.00 -0.12 0.00 0.00 57.88 57.49 1l6e h LEU 23 Cb 0.48 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.38 1l6e h LEU 23 CO 0.05 0.00 -1.29 -0.09 -0.62 0.00 0.00 178.44 176.49 1l6e h ARG 24 N 0.00 0.02 0.00 1.25 2.43 -1.31 -3.39 114.38 113.39 1l6e h ARG 24 Ca 0.00 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 1l6e h ARG 24 Cb 0.39 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1l6e h ARG 24 CO 0.00 1.02 -1.04 1.96 -1.51 0.00 0.00 179.97 180.40 1l6e h GLN 25 N -0.91 0.00 -6.64 0.20 1.08 -0.17 -3.49 115.11 105.18 1l6e h GLN 25 Ca -0.35 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 56.36 1l6e h GLN 25 Cb 1.36 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.80 1l6e h GLN 25 CO -0.18 0.06 -0.97 1.04 -0.95 0.00 0.00 178.83 177.84 1l6e n GLN 26 N -2.74 -0.94 -2.16 1.46 6.02 0.98 -4.87 117.38 115.13 1l6e n GLN 26 Ca -0.02 0.47 -0.35 0.00 -0.01 0.00 0.00 57.00 57.10 1l6e n GLN 26 Cb 0.61 -2.93 0.01 0.00 1.02 0.00 0.00 30.24 28.95 1l6e n GLN 26 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1l6e s PRO 27 N -6.02 3.26 0.48 -1.09 0.04 -1.26 -4.93 135.00 125.47 1l6e s PRO 27 Ca 0.29 1.55 0.27 0.00 0.04 0.00 0.00 61.00 63.15 1l6e s PRO 27 Cb -0.14 -2.00 1.13 0.00 0.04 0.00 0.00 34.50 33.53 1l6e s PRO 27 CO 0.91 -0.92 1.91 -1.00 0.04 0.00 0.00 177.00 177.95 1l6e h PRO 28 N 0.96 0.00 -3.93 0.56 0.13 -2.00 -3.41 132.00 124.30 1l6e h PRO 28 Ca -0.49 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.20 1l6e h PRO 28 Cb 1.26 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.03 1l6e h PRO 28 CO 0.56 0.17 -0.77 -0.51 -0.23 0.00 0.00 178.00 177.22 1l6e s ASP 29 N -6.08 1.32 -0.04 1.44 1.01 -1.26 -5.06 116.67 108.00 1l6e s ASP 29 Ca -0.00 -0.13 -0.00 0.00 0.71 0.00 0.00 52.55 53.13 1l6e s ASP 29 Cb 0.11 -0.49 -0.00 0.00 1.01 0.00 0.00 42.92 43.55 1l6e s ASP 29 CO 0.61 -0.11 -0.00 0.25 0.21 0.00 0.00 175.17 176.12 1l6e h LEU 30 N 7.71 0.00 -0.07 1.23 7.12 -1.99 -3.10 115.31 126.21 1l6e h LEU 30 Ca -0.30 0.00 0.01 0.00 0.13 0.00 0.00 57.88 57.72 1l6e h LEU 30 Cb 1.14 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.26 1l6e h LEU 30 CO 0.38 0.19 -0.04 0.52 -0.13 0.00 0.00 178.44 179.37 1l6e n VAL 31 N -3.05 -0.04 0.03 1.05 0.31 -1.26 0.29 118.33 115.66 1l6e n VAL 31 Ca -0.00 0.18 -0.13 0.00 -0.01 0.00 0.00 64.34 64.38 1l6e n VAL 31 Cb 0.01 -0.23 -0.09 0.00 -0.91 0.00 0.00 33.84 32.62 1l6e n VAL 31 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1l6e h ASP 32 N 0.00 -0.06 0.11 4.52 1.82 -1.99 -1.47 116.42 119.36 1l6e h ASP 32 Ca 0.02 -0.30 0.00 0.00 -0.39 0.00 0.00 57.03 56.36 1l6e h ASP 32 Cb 0.04 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.05 1l6e h ASP 32 CO -0.07 0.27 -0.11 0.15 -1.61 0.00 0.00 179.24 177.87 1l6e h PHE 33 N -0.39 -0.29 -0.33 0.28 3.04 0.43 1.20 116.94 120.88 1l6e h PHE 33 Ca -0.01 0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.04 1l6e h PHE 33 Cb 0.35 0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 1l6e h PHE 33 CO 0.03 -0.18 0.26 0.00 -2.02 0.00 0.00 178.31 176.41 1l6e h ALA 34 N 0.62 2.20 0.00 2.41 0.00 -0.02 -1.86 119.26 122.60 1l6e h ALA 34 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1l6e h ALA 34 Cb 0.24 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1l6e h ALA 34 CO -0.03 -0.43 -0.84 0.28 0.00 0.00 0.00 179.25 178.23 1l6e h VAL 35 N 0.00 0.94 -1.03 0.00 2.07 -0.08 -3.03 116.25 115.13 1l6e h VAL 35 Ca 0.16 -2.01 0.26 0.00 0.82 0.00 0.00 66.70 65.93 1l6e h VAL 35 Cb 0.68 2.09 -0.11 0.00 -1.52 0.00 0.00 31.29 32.42 1l6e h VAL 35 CO -0.00 0.32 0.63 -0.08 0.02 0.00 0.00 177.57 178.46 1l6e h GLU 36 N -1.00 0.48 0.20 1.57 4.81 0.17 1.52 114.58 122.33 1l6e h GLU 36 Ca -0.22 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 1l6e h GLU 36 Cb 1.08 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.35 1l6e h GLU 36 CO -0.13 0.32 -0.09 -0.92 -0.73 0.00 0.00 179.01 177.45 1l6e h TYR 37 N 0.49 -0.24 -0.12 0.92 3.20 -1.49 -2.61 116.97 117.12 1l6e h TYR 37 Ca 0.64 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.50 1l6e h TYR 37 Cb 1.38 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.73 1l6e h TYR 37 CO -0.01 -0.15 0.07 0.74 -1.64 0.00 0.00 178.16 177.17 1l6e h PHE 38 N -0.82 0.16 -0.73 -3.82 0.04 -1.34 -2.17 116.94 108.26 1l6e h PHE 38 Ca -0.03 -0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.87 1l6e h PHE 38 Cb 0.20 -0.05 -0.09 0.00 2.20 0.00 0.00 35.95 38.21 1l6e h PHE 38 CO 0.01 0.17 0.30 1.15 -0.60 0.00 0.00 178.31 179.35 1l6e h THR 39 N 0.10 0.71 0.00 -1.55 2.02 0.20 0.40 112.91 114.80 1l6e h THR 39 Ca 0.04 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 1l6e h THR 39 Cb 0.06 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 66.67 1l6e h THR 39 CO -0.01 0.09 -0.11 0.03 0.37 0.00 0.00 175.52 175.89 1l6e h ARG 40 N 0.48 0.00 -0.26 6.66 3.08 -1.09 -2.05 114.38 121.20 1l6e h ARG 40 Ca 0.39 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.31 1l6e h ARG 40 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1l6e h ARG 40 CO -0.36 0.11 -0.36 1.25 -1.07 0.00 0.00 179.97 179.54 1l6e h LEU 41 N 0.00 0.60 -1.71 3.04 5.85 0.42 -2.80 115.31 120.71 1l6e h LEU 41 Ca -0.00 -0.25 0.21 0.00 0.84 0.00 0.00 57.88 58.67 1l6e h LEU 41 Cb 0.25 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1l6e h LEU 41 CO 0.01 0.91 0.57 0.03 -0.34 0.00 0.00 178.44 179.62 1l6e h ARG 42 N 0.48 0.24 0.12 1.25 2.47 -0.92 0.42 114.38 118.44 1l6e h ARG 42 Ca 0.05 -0.01 -0.28 0.00 -1.26 0.00 0.00 59.98 58.48 1l6e h ARG 42 Cb 0.85 -0.05 0.01 0.00 -1.65 0.00 0.00 29.97 29.13 1l6e h ARG 42 CO 0.07 0.16 -1.21 1.49 0.56 0.00 0.00 179.97 181.04 1l6e h GLU 43 N 0.24 0.42 0.00 0.04 4.81 -1.60 -3.36 114.58 115.14 1l6e h GLU 43 Ca 0.42 -0.61 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1l6e h GLU 43 Cb 1.25 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.85 1l6e h GLU 43 CO -0.10 1.26 0.00 0.00 -0.73 0.00 0.00 179.01 179.44 1l6e n ALA 44 N -2.59 -0.06 -0.93 2.92 0.00 0.13 -4.58 120.51 115.40 1l6e n ALA 44 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.03 1l6e n ALA 44 Cb 0.99 0.41 -0.00 0.00 0.00 0.00 0.00 19.45 20.84 1l6e n ALA 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1l6e n ARG 45 N -2.68 0.00 -0.67 0.00 3.00 -1.21 -5.14 116.66 109.96 1l6e n ARG 45 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1l6e n ARG 45 Cb 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 32.46 31.75 1l6e n ARG 45 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50