#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 -2.23 0.00 -0.41 2.81 -1.26 -4.71 117.12 111.33 1l6e n MET 2 Ca 0.00 1.90 0.00 0.00 -1.81 0.00 0.00 57.70 57.79 1l6e n MET 2 Cb 0.00 -2.32 0.00 0.00 -0.71 0.00 0.00 33.22 30.19 1l6e n MET 2 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1l6e n GLY 3 N 2.02 0.11 1.14 3.03 0.00 -1.26 -4.97 105.19 105.27 1l6e n GLY 3 Ca -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 1l6e n GLY 3 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1l6e n HIS 4 N 0.00 0.00 -3.91 1.61 -0.00 -1.26 -5.12 115.22 106.54 1l6e n HIS 4 Ca 0.00 -0.43 -0.26 0.00 -0.00 0.00 0.00 57.72 57.03 1l6e n HIS 4 Cb 0.00 0.17 -0.01 0.00 -0.00 0.00 0.00 29.99 30.16 1l6e n HIS 4 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1l6e s ILE 5 N 0.00 1.65 0.00 3.57 -1.09 -1.26 -5.06 121.20 119.01 1l6e s ILE 5 Ca 0.14 -1.50 0.00 0.00 -2.23 0.00 0.00 60.65 57.06 1l6e s ILE 5 Cb 0.16 -2.16 0.00 0.00 -1.58 0.00 0.00 42.46 38.89 1l6e s ILE 5 CO -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 174.94 173.64 1l6e n GLN 6 N -1.75 3.71 -3.37 2.79 3.00 -1.26 -5.04 117.38 115.45 1l6e n GLN 6 Ca -0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.58 1l6e n GLN 6 Cb 0.64 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.85 1l6e n GLN 6 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1l6e n ILE 7 N 0.00 3.91 -2.16 5.09 2.08 -1.26 -5.02 119.36 122.00 1l6e n ILE 7 Ca 0.00 -5.41 -0.43 0.00 0.56 0.00 0.00 62.75 57.47 1l6e n ILE 7 Cb 0.00 -2.31 -0.02 0.00 -0.75 0.00 0.00 39.64 36.55 1l6e n ILE 7 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1l6e s PRO 8 N -1.89 3.92 -0.21 0.38 0.04 -1.26 -4.96 135.00 131.02 1l6e s PRO 8 Ca 0.31 1.70 -0.29 0.00 0.04 0.00 0.00 61.00 62.76 1l6e s PRO 8 Cb -0.02 -3.98 -0.00 0.00 0.04 0.00 0.00 34.50 30.54 1l6e s PRO 8 CO -0.04 -1.14 1.19 -1.25 0.04 0.00 0.00 177.00 175.80 1l6e s PRO 9 N 4.39 4.20 -0.29 0.56 0.04 -1.26 -3.72 135.00 138.93 1l6e s PRO 9 Ca 0.68 1.50 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1l6e s PRO 9 Cb -0.25 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1l6e s PRO 9 CO 0.27 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.98 1l6e n GLY 10 N 3.61 0.26 0.08 0.56 0.00 -1.26 -4.71 105.19 103.73 1l6e n GLY 10 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 0.13 -2.11 0.99 5.85 -1.97 -2.98 115.31 115.22 1l6e h LEU 11 Ca -0.05 -0.60 0.09 0.00 0.84 0.00 0.00 57.88 58.15 1l6e h LEU 11 Cb 0.19 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1l6e h LEU 11 CO 0.08 0.71 0.29 0.74 -0.34 0.00 0.00 178.44 179.92 1l6e h THR 12 N -0.44 0.52 0.16 1.05 2.02 -1.84 -0.66 112.91 113.72 1l6e h THR 12 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1l6e h THR 12 Cb 0.69 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1l6e h THR 12 CO 0.02 0.00 -0.08 -0.33 0.37 0.00 0.00 175.52 175.50 1l6e h GLU 13 N 0.00 -0.21 -0.96 6.66 5.08 -1.90 -1.33 114.58 121.92 1l6e h GLU 13 Ca 0.14 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.66 1l6e h GLU 13 Cb 0.73 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.95 1l6e h GLU 13 CO -0.00 -0.14 0.61 -0.07 -1.00 0.00 0.00 179.01 178.40 1l6e h LEU 14 N -0.52 0.79 0.20 1.33 4.07 -1.37 -2.25 115.31 117.56 1l6e h LEU 14 Ca -0.02 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 1l6e h LEU 14 Cb 0.17 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.81 1l6e h LEU 14 CO 0.04 0.39 -0.09 -0.07 -1.08 0.00 0.00 178.44 177.62 1l6e h LEU 15 N 0.83 -0.22 -0.85 1.67 4.07 -1.21 -2.95 115.31 116.65 1l6e h LEU 15 Ca 0.49 -0.22 0.19 0.00 0.08 0.00 0.00 57.88 58.41 1l6e h LEU 15 Cb 0.65 0.06 -0.16 0.00 1.08 0.00 0.00 40.66 42.29 1l6e h LEU 15 CO -0.25 0.12 -0.11 -0.61 -1.08 0.00 0.00 178.44 176.50 1l6e h GLN 16 N -0.59 0.03 0.28 1.13 4.15 -0.64 0.75 115.11 120.22 1l6e h GLN 16 Ca -0.03 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1l6e h GLN 16 Cb 0.43 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.08 1l6e h GLN 16 CO 0.04 0.02 -0.51 0.78 -1.93 0.00 0.00 178.83 177.24 1l6e h GLY 17 N 0.03 -1.16 -0.79 2.39 0.00 -1.40 -1.41 103.07 100.74 1l6e h GLY 17 Ca 0.44 0.60 0.18 0.00 0.00 0.00 0.00 47.33 48.55 1l6e h GLY 17 CO -0.83 -0.31 -0.23 -1.82 0.00 0.00 0.00 176.54 173.35 1l6e h TYR 18 N -0.85 -0.49 -0.11 5.60 3.20 -0.71 2.18 116.97 125.80 1l6e h TYR 18 Ca -0.03 0.08 0.03 0.00 3.14 0.00 0.00 58.73 61.96 1l6e h TYR 18 Cb 0.80 0.35 -0.00 0.00 1.54 0.00 0.00 36.73 39.42 1l6e h TYR 18 CO -0.36 -0.38 0.09 1.15 -1.64 0.00 0.00 178.16 177.01 1l6e h THR 19 N -0.00 0.78 0.00 1.81 2.02 -0.52 0.77 112.91 117.77 1l6e h THR 19 Ca 0.43 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.61 1l6e h THR 19 Cb 0.65 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1l6e h THR 19 CO -0.92 0.00 -0.62 0.58 0.37 0.00 0.00 175.52 174.93 1l6e h VAL 20 N 0.00 0.00 0.02 3.16 2.07 0.44 -2.99 116.25 118.95 1l6e h VAL 20 Ca 0.05 -0.93 -0.36 0.00 0.82 0.00 0.00 66.70 66.28 1l6e h VAL 20 Cb 0.22 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 1l6e h VAL 20 CO -0.00 0.00 -2.01 -0.62 0.02 0.00 0.00 177.57 174.96 1l6e n GLU 21 N -2.74 0.61 -0.32 1.57 1.02 0.59 -2.30 120.64 119.08 1l6e n GLU 21 Ca 0.02 0.36 -0.03 0.00 -0.02 0.00 0.00 57.16 57.49 1l6e n GLU 21 Cb 0.53 -1.62 0.11 0.00 -0.02 0.00 0.00 31.44 30.45 1l6e n GLU 21 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1l6e h VAL 22 N -0.73 1.25 0.00 2.62 2.07 0.28 0.21 116.25 121.95 1l6e h VAL 22 Ca -0.53 -0.60 -0.24 0.00 0.82 0.00 0.00 66.70 66.16 1l6e h VAL 22 Cb 1.60 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 1l6e h VAL 22 CO -0.24 0.28 -1.37 -0.07 0.02 0.00 0.00 177.57 176.19 1l6e h LEU 23 N 1.24 0.00 -3.84 2.57 -0.00 -1.68 -2.53 115.31 111.06 1l6e h LEU 23 Ca 0.32 0.00 -0.42 0.00 -0.00 0.00 0.00 57.88 57.78 1l6e h LEU 23 Cb -0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 40.66 40.41 1l6e h LEU 23 CO -0.05 0.92 0.47 -1.14 -0.00 0.00 0.00 178.44 178.63 1l6e n ARG 24 N -3.14 2.37 -0.42 1.13 0.00 -0.97 -4.41 116.66 111.22 1l6e n ARG 24 Ca -0.09 -3.05 -0.00 0.00 -0.00 0.00 0.00 57.85 54.70 1l6e n ARG 24 Cb 0.97 -2.12 -0.00 0.00 0.00 0.00 0.00 32.46 31.31 1l6e n ARG 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1l6e n GLN 25 N -1.01 0.00 0.00 -0.14 -0.00 0.70 -4.85 117.38 112.08 1l6e n GLN 25 Ca 0.52 -0.06 0.00 0.00 -0.00 0.00 0.00 57.00 57.47 1l6e n GLN 25 Cb 1.52 0.39 0.00 0.00 -0.00 0.00 0.00 30.24 32.15 1l6e n GLN 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1l6e n GLN 26 N 0.00 0.00 -1.17 2.61 1.13 -0.95 -4.76 117.38 114.24 1l6e n GLN 26 Ca -0.02 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.75 1l6e n GLN 26 Cb 0.23 0.00 0.15 0.00 0.11 0.00 0.00 30.24 30.73 1l6e n GLN 26 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1l6e s PRO 27 N 0.00 0.92 0.28 -1.09 0.04 -1.26 -4.95 135.00 128.95 1l6e s PRO 27 Ca 0.00 0.73 0.06 0.00 0.04 0.00 0.00 61.00 61.83 1l6e s PRO 27 Cb 0.00 -1.78 0.41 0.00 0.04 0.00 0.00 34.50 33.17 1l6e s PRO 27 CO 0.00 -2.45 1.67 -1.00 0.04 0.00 0.00 177.00 175.26 1l6e h PRO 28 N -1.69 0.24 -3.26 0.56 0.13 -2.02 -3.43 132.00 122.53 1l6e h PRO 28 Ca -0.51 -0.12 -0.24 0.00 -0.87 0.00 0.00 66.00 64.26 1l6e h PRO 28 Cb 1.30 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.12 1l6e h PRO 28 CO 0.55 0.65 -0.59 -0.51 -0.23 0.00 0.00 178.00 177.87 1l6e s ASP 29 N -6.88 -0.12 0.00 1.44 1.11 -1.26 -5.08 116.67 105.88 1l6e s ASP 29 Ca -0.04 0.30 0.00 0.00 0.18 0.00 0.00 52.55 52.99 1l6e s ASP 29 Cb 0.13 0.20 0.00 0.00 1.07 0.00 0.00 42.92 44.32 1l6e s ASP 29 CO 0.78 -0.14 0.14 -0.11 1.18 0.00 0.00 175.17 177.02 1l6e n LEU 30 N 4.10 0.01 -0.21 1.23 -0.00 -1.26 -1.40 117.00 119.47 1l6e n LEU 30 Ca -0.25 0.57 -0.06 0.00 -0.00 0.00 0.00 56.01 56.27 1l6e n LEU 30 Cb 0.52 -0.50 -0.05 0.00 -0.00 0.00 0.00 43.42 43.40 1l6e n LEU 30 CO 0.18 -0.50 0.43 0.52 -0.00 0.00 0.00 177.39 178.02 1l6e n VAL 31 N -1.99 -0.34 -0.25 1.96 0.31 -1.26 0.14 118.33 116.90 1l6e n VAL 31 Ca 0.00 1.77 0.04 0.00 -0.01 0.00 0.00 64.34 66.14 1l6e n VAL 31 Cb 0.00 -2.24 0.17 0.00 -0.91 0.00 0.00 33.84 30.86 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 0.30 0.60 4.52 1.82 -2.00 -1.08 116.42 120.58 1l6e h ASP 32 Ca 0.08 0.10 -0.02 0.00 -0.39 0.00 0.00 57.03 56.80 1l6e h ASP 32 Cb 0.21 0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.27 1l6e h ASP 32 CO -0.47 0.13 -0.49 0.15 -1.61 0.00 0.00 179.24 176.95 1l6e h PHE 33 N 0.46 -1.33 -1.31 0.28 3.57 0.24 0.93 116.94 119.79 1l6e h PHE 33 Ca 0.40 0.00 0.38 0.00 3.53 0.00 0.00 57.97 62.28 1l6e h PHE 33 Cb 0.57 0.50 -0.06 0.00 2.79 0.00 0.00 35.95 39.75 1l6e h PHE 33 CO -0.16 -0.68 0.94 0.00 -2.23 0.00 0.00 178.31 176.18 1l6e h ALA 34 N -0.91 3.19 0.00 2.41 0.00 0.93 0.13 119.26 125.01 1l6e h ALA 34 Ca -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1l6e h ALA 34 Cb 0.89 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1l6e h ALA 34 CO -0.00 -1.57 -0.07 0.28 0.00 0.00 0.00 179.25 177.89 1l6e h VAL 35 N 0.03 0.00 -1.01 0.00 2.07 0.31 -1.92 116.25 115.73 1l6e h VAL 35 Ca 0.64 -0.79 0.28 0.00 0.82 0.00 0.00 66.70 67.65 1l6e h VAL 35 Cb 2.48 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 32.12 1l6e h VAL 35 CO -0.04 0.00 0.59 -0.08 0.02 0.00 0.00 177.57 178.06 1l6e h GLU 36 N -0.79 0.44 0.13 1.57 4.81 0.17 1.16 114.58 122.07 1l6e h GLU 36 Ca 0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1l6e h GLU 36 Cb 0.07 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1l6e h GLU 36 CO 0.00 0.29 -0.06 -0.92 -0.73 0.00 0.00 179.01 177.59 1l6e h TYR 37 N 0.46 -0.16 -0.61 0.92 3.20 -0.90 -2.66 116.97 117.21 1l6e h TYR 37 Ca 0.69 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.59 1l6e h TYR 37 Cb 1.45 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 39.73 1l6e h TYR 37 CO -0.01 -0.10 0.35 0.74 -1.64 0.00 0.00 178.16 177.51 1l6e h PHE 38 N -0.85 0.65 -0.24 -3.82 0.04 -0.97 0.28 116.94 112.04 1l6e h PHE 38 Ca -0.02 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.81 1l6e h PHE 38 Cb 0.13 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.05 1l6e h PHE 38 CO 0.01 0.34 0.05 1.15 -0.60 0.00 0.00 178.31 179.26 1l6e h THR 39 N 0.68 0.89 -0.47 -1.55 2.02 0.12 -2.21 112.91 112.40 1l6e h THR 39 Ca 0.26 -0.05 -0.10 0.00 0.77 0.00 0.00 66.41 67.29 1l6e h THR 39 Cb 0.10 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1l6e h THR 39 CO -0.14 0.03 -0.12 -0.09 0.37 0.00 0.00 175.52 175.57 1l6e h ARG 40 N 0.14 0.87 -0.87 6.66 2.43 -1.05 -2.91 114.38 119.66 1l6e h ARG 40 Ca 0.11 -0.30 0.16 0.00 -0.81 0.00 0.00 59.98 59.13 1l6e h ARG 40 Cb 0.11 -0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 29.50 1l6e h ARG 40 CO -0.14 0.94 0.45 1.25 -1.51 0.00 0.00 179.97 180.95 1l6e h LEU 41 N 0.78 0.53 -2.13 3.80 6.46 0.14 0.50 115.31 125.39 1l6e h LEU 41 Ca 0.13 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 1l6e h LEU 41 Cb 0.63 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.58 1l6e h LEU 41 CO 0.04 0.21 0.29 0.03 -0.62 0.00 0.00 178.44 178.39 1l6e h ARG 42 N 0.62 0.00 -0.01 1.25 2.47 -1.25 0.21 114.38 117.67 1l6e h ARG 42 Ca 0.48 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.20 1l6e h ARG 42 Cb 0.71 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.03 1l6e h ARG 42 CO -0.38 0.00 -0.16 -1.91 0.56 0.00 0.00 179.97 178.08 1l6e n GLU 43 N -2.91 1.97 0.00 0.04 4.07 0.16 -4.78 120.64 119.19 1l6e n GLU 43 Ca -0.02 -0.61 0.00 0.00 -0.06 0.00 0.00 57.16 56.47 1l6e n GLU 43 Cb 0.34 -1.05 0.00 0.00 -0.06 0.00 0.00 31.44 30.66 1l6e n GLU 43 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1l6e n ALA 44 N -0.20 0.00 -1.05 4.31 0.00 0.74 -4.47 120.51 119.84 1l6e n ALA 44 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.06 1l6e n ALA 44 Cb 0.19 0.39 -0.06 0.00 0.00 0.00 0.00 19.45 19.97 1l6e n ALA 44 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1l6e n ARG 45 N -2.33 0.00 0.00 0.00 3.00 -1.26 -5.10 116.66 110.97 1l6e n ARG 45 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1l6e n ARG 45 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 32.46 31.43 1l6e n ARG 45 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50