#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 3.59 0.00 1.57 2.00 -1.26 -5.04 117.12 117.99 1l6e n MET 2 Ca 0.00 -4.36 0.00 0.00 0.00 0.00 0.00 57.70 53.34 1l6e n MET 2 Cb 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 33.22 30.93 1l6e n MET 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1l6e n GLY 3 N -0.36 2.26 3.31 3.03 0.00 -1.26 -4.68 105.19 107.49 1l6e n GLY 3 Ca 0.43 0.38 -0.18 0.00 0.00 0.00 0.00 46.02 46.65 1l6e n GLY 3 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1l6e n HIS 4 N 9.78 -1.08 -2.10 1.61 -0.00 -1.26 -5.07 115.22 117.10 1l6e n HIS 4 Ca 0.00 -2.64 -0.24 0.00 -0.00 0.00 0.00 57.72 54.84 1l6e n HIS 4 Cb 0.00 0.41 0.02 0.00 -0.00 0.00 0.00 29.99 30.41 1l6e n HIS 4 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 1l6e n ILE 5 N -0.62 2.49 -3.23 1.59 0.13 -1.26 -5.03 119.36 113.43 1l6e n ILE 5 Ca 0.05 -4.32 0.00 0.00 -1.10 0.00 0.00 62.75 57.38 1l6e n ILE 5 Cb 0.60 -1.14 0.00 0.00 -0.84 0.00 0.00 39.64 38.26 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 -0.67 1.30 -4.04 9.51 10.64 -1.26 -5.15 117.38 127.70 1l6e n GLN 6 Ca 0.43 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 55.38 1l6e n GLN 6 Cb 0.92 0.00 -0.17 0.00 -0.86 0.00 0.00 30.24 30.13 1l6e n GLN 6 CO 0.00 0.00 0.00 0.96 -1.83 0.00 0.00 177.06 176.19 1l6e s ILE 7 N -0.58 0.61 -0.35 -0.39 -5.25 -1.26 -5.09 121.20 108.89 1l6e s ILE 7 Ca 0.00 -0.10 -0.29 0.00 -0.99 0.00 0.00 60.65 59.27 1l6e s ILE 7 Cb 0.00 -0.67 -0.01 0.00 2.95 0.00 0.00 42.46 44.73 1l6e s ILE 7 CO 0.00 0.27 1.60 -2.16 -1.79 0.00 0.00 174.94 172.86 1l6e s PRO 8 N 1.35 3.51 1.16 0.37 0.04 -1.26 -5.00 135.00 135.17 1l6e s PRO 8 Ca -0.04 1.25 -0.19 0.00 0.04 0.00 0.00 61.00 62.06 1l6e s PRO 8 Cb -0.14 -4.10 0.28 0.00 0.04 0.00 0.00 34.50 30.59 1l6e s PRO 8 CO -0.03 -1.64 1.18 -1.25 0.04 0.00 0.00 177.00 175.31 1l6e s PRO 9 N 5.18 -0.90 0.00 0.56 0.04 -1.26 -4.58 135.00 134.04 1l6e s PRO 9 Ca 0.70 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.48 1l6e s PRO 9 Cb -0.19 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1l6e s PRO 9 CO 0.32 -3.46 0.00 0.41 0.04 0.00 0.00 177.00 174.31 1l6e n GLY 10 N -1.82 1.54 0.21 0.56 0.00 -1.26 -4.95 105.19 99.46 1l6e n GLY 10 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 -0.83 0.99 6.46 -2.02 -3.10 115.31 116.81 1l6e h LEU 11 Ca 0.00 0.00 0.19 0.00 -0.12 0.00 0.00 57.88 57.95 1l6e h LEU 11 Cb 0.00 0.00 -0.12 0.00 -0.73 0.00 0.00 40.66 39.81 1l6e h LEU 11 CO 0.00 0.31 0.30 0.74 -0.62 0.00 0.00 178.44 179.17 1l6e h THR 12 N 0.00 0.50 0.00 1.05 2.02 -1.97 -1.76 112.91 112.74 1l6e h THR 12 Ca -0.00 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1l6e h THR 12 Cb 0.71 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1l6e h THR 12 CO 0.04 0.06 0.00 -0.62 0.37 0.00 0.00 175.52 175.38 1l6e n GLU 13 N -5.09 0.00 -0.37 6.66 -0.58 -1.17 0.51 120.64 120.61 1l6e n GLU 13 Ca 0.19 0.24 0.02 0.00 -0.42 0.00 0.00 57.16 57.19 1l6e n GLU 13 Cb 0.57 -1.08 0.09 0.00 -0.57 0.00 0.00 31.44 30.45 1l6e n GLU 13 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1l6e h LEU 14 N 0.00 -1.20 0.75 -4.62 4.07 -1.72 -0.82 115.31 111.78 1l6e h LEU 14 Ca 0.00 0.30 -0.03 0.00 0.08 0.00 0.00 57.88 58.23 1l6e h LEU 14 Cb 0.00 0.69 -0.01 0.00 1.08 0.00 0.00 40.66 42.42 1l6e h LEU 14 CO 0.00 -0.31 -0.49 -0.07 -1.08 0.00 0.00 178.44 176.49 1l6e h LEU 15 N -0.00 -1.25 -0.63 1.67 4.07 -1.21 -2.14 115.31 115.83 1l6e h LEU 15 Ca 0.41 0.07 0.06 0.00 0.08 0.00 0.00 57.88 58.50 1l6e h LEU 15 Cb 0.66 0.37 -0.08 0.00 1.08 0.00 0.00 40.66 42.69 1l6e h LEU 15 CO -1.00 -0.74 -0.37 1.67 -1.08 0.00 0.00 178.44 176.92 1l6e n GLN 16 N -5.61 -0.28 -0.24 1.13 7.27 0.18 0.67 117.38 120.50 1l6e n GLN 16 Ca -0.14 1.27 -0.01 0.00 0.07 0.00 0.00 57.00 58.18 1l6e n GLN 16 Cb 0.49 -1.87 0.06 0.00 2.41 0.00 0.00 30.24 31.33 1l6e n GLN 16 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1l6e h GLY 17 N 0.00 0.29 -0.42 1.69 0.00 -1.36 -0.90 103.07 102.37 1l6e h GLY 17 Ca 0.10 0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.79 1l6e h GLY 17 CO -0.59 -0.25 -0.31 -1.82 0.00 0.00 0.00 176.54 173.57 1l6e h TYR 18 N -0.06 -0.97 -1.12 5.60 3.20 0.93 1.30 116.97 125.86 1l6e h TYR 18 Ca 0.31 0.06 0.32 0.00 3.14 0.00 0.00 58.73 62.56 1l6e h TYR 18 Cb 0.55 0.48 -0.05 0.00 1.54 0.00 0.00 36.73 39.24 1l6e h TYR 18 CO -0.62 -0.22 0.80 1.15 -1.64 0.00 0.00 178.16 177.63 1l6e h THR 19 N -0.07 0.44 0.00 1.81 2.02 -0.50 1.05 112.91 117.66 1l6e h THR 19 Ca 0.07 -0.02 -0.12 0.00 0.77 0.00 0.00 66.41 67.11 1l6e h THR 19 Cb 0.25 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1l6e h THR 19 CO -0.43 0.01 -0.58 0.58 0.37 0.00 0.00 175.52 175.47 1l6e h VAL 20 N 0.05 1.03 0.03 3.16 2.07 0.22 -2.57 116.25 120.24 1l6e h VAL 20 Ca 0.55 -2.33 -0.26 0.00 0.82 0.00 0.00 66.70 65.48 1l6e h VAL 20 Cb 2.08 2.42 -0.03 0.00 -1.52 0.00 0.00 31.29 34.24 1l6e h VAL 20 CO -0.05 0.56 -1.40 -0.33 0.02 0.00 0.00 177.57 176.38 1l6e h GLU 21 N 0.00 0.06 0.00 1.57 5.08 0.49 -3.08 114.58 118.70 1l6e h GLU 21 Ca -0.01 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1l6e h GLU 21 Cb 1.37 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.66 1l6e h GLU 21 CO 0.07 1.05 -0.01 0.28 -1.00 0.00 0.00 179.01 179.40 1l6e h VAL 22 N -0.77 0.04 0.02 3.13 2.07 -0.35 -1.28 116.25 119.11 1l6e h VAL 22 Ca -0.36 -0.30 -0.15 0.00 0.82 0.00 0.00 66.70 66.71 1l6e h VAL 22 Cb 1.46 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 1l6e h VAL 22 CO -0.14 0.01 -0.78 0.25 0.02 0.00 0.00 177.57 176.92 1l6e h LEU 23 N 0.00 0.07 0.27 2.57 6.46 -1.59 -2.29 115.31 120.80 1l6e h LEU 23 Ca -0.00 -0.76 -0.01 0.00 -0.12 0.00 0.00 57.88 56.98 1l6e h LEU 23 Cb 0.28 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 1l6e h LEU 23 CO 0.00 1.32 -0.13 0.03 -0.62 0.00 0.00 178.44 179.04 1l6e h ARG 24 N -0.88 -0.35 -0.07 1.25 3.08 -1.43 -3.25 114.38 112.74 1l6e h ARG 24 Ca -0.20 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 1l6e h ARG 24 Cb 1.26 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.39 1l6e h ARG 24 CO -0.08 -0.24 -0.10 0.37 -1.07 0.00 0.00 179.97 178.85 1l6e h GLN 25 N -0.58 0.10 -6.57 0.04 -0.00 -1.46 -3.46 115.11 103.16 1l6e h GLN 25 Ca -0.04 -0.02 -0.44 0.00 -0.00 0.00 0.00 58.65 58.15 1l6e h GLN 25 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.75 1l6e h GLN 25 CO 0.06 0.21 -1.00 1.04 0.00 0.00 0.00 178.83 179.14 1l6e n GLN 26 N -4.36 -1.39 -1.42 1.69 6.02 -0.86 -4.86 117.38 112.19 1l6e n GLN 26 Ca -0.02 0.67 -0.32 0.00 -0.01 0.00 0.00 57.00 57.33 1l6e n GLN 26 Cb 0.21 -1.96 0.08 0.00 1.02 0.00 0.00 30.24 29.58 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 -4.61 2.38 0.55 -1.09 0.04 -1.26 -4.92 135.00 126.09 1l6e s PRO 27 Ca 0.01 1.30 0.33 0.00 0.04 0.00 0.00 61.00 62.68 1l6e s PRO 27 Cb -0.00 -1.90 1.42 0.00 0.04 0.00 0.00 34.50 34.05 1l6e s PRO 27 CO 0.80 -1.56 2.01 -1.00 0.04 0.00 0.00 177.00 177.29 1l6e h PRO 28 N -0.69 0.00 -2.99 0.56 0.13 -1.99 -3.41 132.00 123.60 1l6e h PRO 28 Ca -0.45 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.43 1l6e h PRO 28 Cb 1.24 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.03 1l6e h PRO 28 CO 0.52 0.04 -0.58 0.16 -0.23 0.00 0.00 178.00 177.91 1l6e s ASP 29 N -5.74 0.47 -0.00 1.44 -4.77 -1.26 -5.07 116.67 101.73 1l6e s ASP 29 Ca 0.00 0.46 -0.02 0.00 -3.30 0.00 0.00 52.55 49.69 1l6e s ASP 29 Cb 0.10 0.47 -0.01 0.00 -1.09 0.00 0.00 42.92 42.38 1l6e s ASP 29 CO 0.55 -0.23 0.54 0.25 0.70 0.00 0.00 175.17 176.98 1l6e h LEU 30 N 8.20 -0.07 -0.05 2.11 6.46 -1.99 -2.87 115.31 127.11 1l6e h LEU 30 Ca -0.17 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 1l6e h LEU 30 Cb 1.12 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 41.06 1l6e h LEU 30 CO 0.17 -0.02 -0.03 0.52 -0.62 0.00 0.00 178.44 178.46 1l6e n VAL 31 N -2.38 -0.03 -0.10 1.05 0.31 -1.26 0.34 118.33 116.26 1l6e n VAL 31 Ca -0.01 0.25 -0.05 0.00 -0.01 0.00 0.00 64.34 64.51 1l6e n VAL 31 Cb 0.03 -0.32 0.01 0.00 -0.91 0.00 0.00 33.84 32.65 1l6e n VAL 31 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 1l6e h ASP 32 N 0.00 -0.27 -0.87 4.52 3.04 -2.00 0.85 116.42 121.69 1l6e h ASP 32 Ca 0.01 0.10 0.13 0.00 -3.24 0.00 0.00 57.03 54.03 1l6e h ASP 32 Cb 0.02 0.20 -0.07 0.00 -1.04 0.00 0.00 39.33 38.44 1l6e h ASP 32 CO -0.04 -0.09 0.56 0.15 -2.04 0.00 0.00 179.24 177.78 1l6e h PHE 33 N 0.03 0.82 -0.02 4.15 3.57 0.61 -1.35 116.94 124.76 1l6e h PHE 33 Ca 0.18 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 1l6e h PHE 33 Cb 0.26 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1l6e h PHE 33 CO -0.30 0.32 0.01 0.00 -2.23 0.00 0.00 178.31 176.11 1l6e h ALA 34 N 1.59 0.02 0.00 2.41 0.00 0.20 0.65 119.26 124.14 1l6e h ALA 34 Ca 0.43 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1l6e h ALA 34 Cb 0.65 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1l6e h ALA 34 CO -0.19 -0.40 -0.02 0.28 0.00 0.00 0.00 179.25 178.92 1l6e h VAL 35 N -0.12 0.16 0.01 0.00 2.07 -0.45 -1.45 116.25 116.47 1l6e h VAL 35 Ca 0.01 -0.18 -0.13 0.00 0.82 0.00 0.00 66.70 67.22 1l6e h VAL 35 Cb 0.15 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1l6e h VAL 35 CO -0.00 0.02 -0.71 -0.33 0.02 0.00 0.00 177.57 176.57 1l6e h GLU 36 N 0.00 0.02 0.32 1.57 5.08 -0.57 -2.79 114.58 118.21 1l6e h GLU 36 Ca -0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1l6e h GLU 36 Cb 0.15 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1l6e h GLU 36 CO 0.00 1.01 -0.16 -0.92 -1.00 0.00 0.00 179.01 177.95 1l6e h TYR 37 N -0.96 -0.40 0.22 4.33 3.20 -0.70 -1.72 116.97 120.94 1l6e h TYR 37 Ca -0.19 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.66 1l6e h TYR 37 Cb 1.20 0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.60 1l6e h TYR 37 CO 0.18 -0.17 -0.11 0.74 -1.64 0.00 0.00 178.16 177.17 1l6e h PHE 38 N -0.57 -0.27 -0.32 -3.82 0.04 -1.46 -2.23 116.94 108.31 1l6e h PHE 38 Ca -0.04 -0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.79 1l6e h PHE 38 Cb 0.42 0.09 -0.08 0.00 2.20 0.00 0.00 35.95 38.58 1l6e h PHE 38 CO -0.02 -0.07 -0.36 1.15 -0.60 0.00 0.00 178.31 178.41 1l6e h THR 39 N -0.43 0.21 -0.48 -1.55 2.02 -1.52 0.38 112.91 111.54 1l6e h THR 39 Ca -0.03 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.29 1l6e h THR 39 Cb 0.33 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1l6e h THR 39 CO 0.05 0.00 0.35 -0.09 0.37 0.00 0.00 175.52 176.20 1l6e h ARG 40 N -0.32 0.01 0.25 6.66 9.65 -1.24 -1.19 114.38 128.19 1l6e h ARG 40 Ca 0.14 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.01 1l6e h ARG 40 Cb 0.56 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 1l6e h ARG 40 CO -0.49 0.00 -0.12 -0.07 2.80 0.00 0.00 179.97 182.09 1l6e h LEU 41 N 0.01 -0.28 -0.68 3.80 4.07 0.38 1.76 115.31 124.37 1l6e h LEU 41 Ca 0.23 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1l6e h LEU 41 Cb 0.91 0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.73 1l6e h LEU 41 CO -0.00 0.00 0.00 0.54 -1.08 0.00 0.00 178.44 177.90 1l6e n ARG 42 N -5.13 0.16 -0.00 1.13 5.12 -0.77 -1.97 116.66 115.19 1l6e n ARG 42 Ca -0.09 0.43 0.07 0.00 -1.93 0.00 0.00 57.85 56.33 1l6e n ARG 42 Cb 0.23 -1.83 -0.09 0.00 -1.16 0.00 0.00 32.46 29.61 1l6e n ARG 42 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1l6e n GLU 43 N -2.13 1.91 0.00 5.56 4.07 -0.52 -4.68 120.64 124.86 1l6e n GLU 43 Ca 0.02 -0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 1l6e n GLU 43 Cb 0.19 -1.22 0.00 0.00 -0.06 0.00 0.00 31.44 30.35 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 -1.41 -0.26 -0.16 4.31 0.00 0.60 -4.72 120.51 118.87 1l6e n ALA 44 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.40 1l6e n ALA 44 Cb 0.25 0.21 -0.01 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.28 0.00 0.00 0.00 3.00 -1.26 -5.09 116.66 111.03 1l6e n ARG 45 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 57.94 1l6e n ARG 45 Cb 0.00 -0.14 0.08 0.00 0.00 0.00 0.00 32.46 32.40 1l6e n ARG 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17