#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 2.83 0.00 -0.41 2.00 -1.26 -5.06 117.12 115.22 1l6e n MET 2 Ca 0.00 -4.57 0.00 0.00 0.00 0.00 0.00 57.70 53.13 1l6e n MET 2 Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 33.22 30.86 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 1.54 0.95 3.61 3.03 0.00 -1.26 -4.45 105.19 108.61 1l6e n GLY 3 Ca 0.25 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 1l6e n GLY 3 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1l6e s HIS 4 N 0.00 3.12 0.24 1.61 0.09 -1.26 -5.10 115.29 113.99 1l6e s HIS 4 Ca 0.00 0.01 -0.13 0.00 -0.00 0.00 0.00 55.06 54.94 1l6e s HIS 4 Cb 0.00 -1.89 -0.00 0.00 -0.00 0.00 0.00 32.58 30.69 1l6e s HIS 4 CO 0.00 0.25 0.48 0.42 -0.00 0.00 0.00 174.74 175.89 1l6e s ILE 5 N -0.27 0.00 -0.18 0.60 1.09 -1.26 -5.15 121.20 116.03 1l6e s ILE 5 Ca 0.06 -1.37 -0.01 0.00 -1.10 0.00 0.00 60.65 58.23 1l6e s ILE 5 Cb -0.12 -2.15 0.05 0.00 -1.06 0.00 0.00 42.46 39.17 1l6e s ILE 5 CO 0.02 -0.02 -0.02 -1.10 -0.10 0.00 0.00 174.94 173.72 1l6e s GLN 6 N -4.01 1.16 0.01 2.79 -0.21 -1.26 -5.09 119.66 113.05 1l6e s GLN 6 Ca 0.21 -0.54 -0.34 0.00 0.02 0.00 0.00 55.36 54.72 1l6e s GLN 6 Cb -0.01 -2.08 -0.12 0.00 1.00 0.00 0.00 33.01 31.80 1l6e s GLN 6 CO 0.08 -0.52 1.78 -0.89 -2.12 0.00 0.00 175.29 173.62 1l6e n ILE 7 N 4.91 0.38 -1.34 1.08 -0.00 -1.26 -4.93 119.36 118.20 1l6e n ILE 7 Ca -0.11 -0.07 -0.31 0.00 -0.00 0.00 0.00 62.75 62.27 1l6e n ILE 7 Cb 0.47 -1.80 0.09 0.00 -0.00 0.00 0.00 39.64 38.40 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 2.96 2.32 1.15 0.38 0.04 -1.26 -5.04 135.00 135.55 1l6e s PRO 8 Ca 0.87 1.06 -0.19 0.00 0.04 0.00 0.00 61.00 62.78 1l6e s PRO 8 Cb -0.66 -1.91 0.27 0.00 0.04 0.00 0.00 34.50 32.24 1l6e s PRO 8 CO 0.46 -1.57 1.19 -1.25 0.04 0.00 0.00 177.00 175.87 1l6e s PRO 9 N -4.95 -0.83 0.00 0.56 0.04 -1.26 -3.91 135.00 124.65 1l6e s PRO 9 Ca 0.61 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1l6e s PRO 9 Cb -0.16 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1l6e s PRO 9 CO 0.56 -3.41 0.00 0.41 0.04 0.00 0.00 177.00 174.59 1l6e n GLY 10 N -1.89 1.37 0.12 0.56 0.00 -1.26 -4.64 105.19 99.44 1l6e n GLY 10 Ca 0.15 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.15 -0.76 0.99 7.12 -1.98 -3.25 115.31 117.28 1l6e h LEU 11 Ca 0.00 -0.40 0.15 0.00 0.13 0.00 0.00 57.88 57.76 1l6e h LEU 11 Cb 0.00 0.04 -0.14 0.00 -0.53 0.00 0.00 40.66 40.02 1l6e h LEU 11 CO 0.00 0.38 -0.20 0.74 -0.13 0.00 0.00 178.44 179.24 1l6e h THR 12 N -0.75 0.23 -0.97 1.05 2.02 -1.83 -0.81 112.91 111.86 1l6e h THR 12 Ca -0.02 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.25 1l6e h THR 12 Cb 0.54 0.23 -0.12 0.00 -1.74 0.00 0.00 68.15 67.06 1l6e h THR 12 CO 0.03 0.00 -0.57 1.21 0.37 0.00 0.00 175.52 176.56 1l6e n GLU 13 N -5.50 -0.42 0.30 6.66 4.07 -1.23 0.20 120.64 124.72 1l6e n GLU 13 Ca 0.10 1.47 -0.16 0.00 -0.06 0.00 0.00 57.16 58.51 1l6e n GLU 13 Cb 0.39 -2.16 -0.08 0.00 -0.06 0.00 0.00 31.44 29.53 1l6e n GLU 13 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1l6e h LEU 14 N 0.00 -1.14 0.40 4.31 -0.00 -1.25 -1.37 115.31 116.26 1l6e h LEU 14 Ca 0.16 0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 58.12 1l6e h LEU 14 Cb 0.41 0.36 -0.03 0.00 -0.00 0.00 0.00 40.66 41.40 1l6e h LEU 14 CO -0.92 -0.60 -0.46 -0.07 -0.00 0.00 0.00 178.44 176.39 1l6e h LEU 15 N -0.93 -1.29 -0.97 1.67 4.07 -0.91 -2.38 115.31 114.58 1l6e h LEU 15 Ca -0.07 0.11 0.16 0.00 0.08 0.00 0.00 57.88 58.17 1l6e h LEU 15 Cb 0.78 0.44 -0.17 0.00 1.08 0.00 0.00 40.66 42.79 1l6e h LEU 15 CO 0.00 -0.60 -0.34 -0.61 -1.08 0.00 0.00 178.44 175.81 1l6e h GLN 16 N -0.89 -0.01 -0.92 1.13 -0.00 0.24 0.53 115.11 115.18 1l6e h GLN 16 Ca -0.04 0.00 0.14 0.00 -0.00 0.00 0.00 58.65 58.75 1l6e h GLN 16 Cb 0.80 0.00 -0.15 0.00 0.00 0.00 0.00 27.48 28.14 1l6e h GLN 16 CO -0.10 -0.01 -0.41 0.78 0.00 0.00 0.00 178.83 179.10 1l6e h GLY 17 N -0.01 -0.08 -0.15 2.39 0.00 -0.71 0.10 103.07 104.62 1l6e h GLY 17 Ca 0.38 0.55 0.02 0.00 0.00 0.00 0.00 47.33 48.27 1l6e h GLY 17 CO -0.98 -0.17 -0.25 -1.82 0.00 0.00 0.00 176.54 173.32 1l6e h TYR 18 N -0.03 -0.75 -1.18 5.60 3.20 0.17 0.23 116.97 124.21 1l6e h TYR 18 Ca 0.30 0.03 0.40 0.00 3.14 0.00 0.00 58.73 62.61 1l6e h TYR 18 Cb 0.57 0.35 -0.14 0.00 1.54 0.00 0.00 36.73 39.04 1l6e h TYR 18 CO -0.85 -0.22 0.73 1.15 -1.64 0.00 0.00 178.16 177.32 1l6e h THR 19 N -0.20 0.15 0.00 1.81 2.02 -0.85 2.04 112.91 117.88 1l6e h THR 19 Ca 0.03 -0.04 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 1l6e h THR 19 Cb 0.27 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1l6e h THR 19 CO -0.24 0.02 -0.31 0.58 0.37 0.00 0.00 175.52 175.94 1l6e h VAL 20 N 0.13 0.79 0.00 3.16 2.07 0.58 -2.67 116.25 120.30 1l6e h VAL 20 Ca 0.80 -1.30 -0.09 0.00 0.82 0.00 0.00 66.70 66.93 1l6e h VAL 20 Cb 2.28 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 33.85 1l6e h VAL 20 CO -0.52 0.30 -0.73 -0.33 0.02 0.00 0.00 177.57 176.31 1l6e h GLU 21 N 0.00 0.00 -0.26 1.57 5.08 0.45 -2.95 114.58 118.47 1l6e h GLU 21 Ca -0.00 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1l6e h GLU 21 Cb 0.79 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1l6e h GLU 21 CO 0.04 0.43 0.51 0.28 -1.00 0.00 0.00 179.01 179.27 1l6e h VAL 22 N -1.00 0.16 0.10 3.13 2.07 -0.88 0.92 116.25 120.75 1l6e h VAL 22 Ca -0.13 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.04 1l6e h VAL 22 Cb 0.80 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1l6e h VAL 22 CO -0.08 0.00 -1.90 -0.07 0.02 0.00 0.00 177.57 175.54 1l6e h LEU 23 N 0.00 0.32 0.00 2.57 4.07 -1.60 -0.66 115.31 120.01 1l6e h LEU 23 Ca 0.12 -0.70 0.00 0.00 0.08 0.00 0.00 57.88 57.39 1l6e h LEU 23 Cb 1.14 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.78 1l6e h LEU 23 CO -0.00 1.62 0.00 -1.14 -1.08 0.00 0.00 178.44 177.84 1l6e n ARG 24 N -3.37 0.81 -0.26 1.13 0.63 0.28 -3.71 116.66 112.17 1l6e n ARG 24 Ca -0.27 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.66 1l6e n ARG 24 Cb 1.05 -1.20 0.00 0.00 0.45 0.00 0.00 32.46 32.76 1l6e n ARG 24 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1l6e n GLN 25 N -0.70 0.00 -1.24 -0.14 10.64 -0.94 -5.06 117.38 119.94 1l6e n GLN 25 Ca 0.08 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.25 1l6e n GLN 25 Cb 0.04 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.42 1l6e n GLN 25 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1l6e n GLN 26 N 0.00 0.00 -1.14 2.61 6.02 -0.25 -4.80 117.38 119.82 1l6e n GLN 26 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 1l6e n GLN 26 Cb 0.44 0.00 0.18 0.00 1.02 0.00 0.00 30.24 31.87 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 -0.49 0.43 -0.01 -1.09 0.04 -1.25 -4.98 135.00 127.64 1l6e s PRO 27 Ca 0.00 0.56 -0.25 0.00 0.04 0.00 0.00 61.00 61.35 1l6e s PRO 27 Cb 0.00 -1.73 -0.18 0.00 0.04 0.00 0.00 34.50 32.62 1l6e s PRO 27 CO 0.00 -2.74 1.21 -1.00 0.04 0.00 0.00 177.00 174.51 1l6e h PRO 28 N -1.90 -0.14 -2.76 0.56 0.13 -1.98 -3.46 132.00 122.44 1l6e h PRO 28 Ca -0.54 0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.48 1l6e h PRO 28 Cb 1.33 0.03 -0.22 0.00 0.13 0.00 0.00 31.00 32.26 1l6e h PRO 28 CO 0.57 0.27 -0.21 -0.51 -0.23 0.00 0.00 178.00 177.89 1l6e s ASP 29 N -5.47 -0.38 -0.01 1.44 1.01 -1.26 -5.05 116.67 106.95 1l6e s ASP 29 Ca -0.15 0.60 -0.25 0.00 0.71 0.00 0.00 52.55 53.46 1l6e s ASP 29 Cb 0.02 0.67 -0.19 0.00 1.01 0.00 0.00 42.92 44.42 1l6e s ASP 29 CO 0.61 -0.27 1.30 -0.07 0.21 0.00 0.00 175.17 176.95 1l6e h LEU 30 N 4.80 0.03 0.00 1.23 -0.00 -1.98 -3.11 115.31 116.28 1l6e h LEU 30 Ca -0.28 -0.45 0.00 0.00 -0.00 0.00 0.00 57.88 57.15 1l6e h LEU 30 Cb 1.18 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 1l6e h LEU 30 CO 0.30 0.48 0.00 0.52 -0.00 0.00 0.00 178.44 179.74 1l6e n VAL 31 N -4.85 0.00 0.41 1.22 0.31 -1.26 0.22 118.33 114.39 1l6e n VAL 31 Ca -0.08 0.21 -0.18 0.00 -0.01 0.00 0.00 64.34 64.27 1l6e n VAL 31 Cb 0.24 -0.28 -0.09 0.00 -0.91 0.00 0.00 33.84 32.80 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 -0.88 -0.46 4.52 3.58 -2.00 -2.43 116.42 118.76 1l6e h ASP 32 Ca 0.00 0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.52 1l6e h ASP 32 Cb 0.00 0.23 -0.07 0.00 1.72 0.00 0.00 39.33 41.21 1l6e h ASP 32 CO 0.00 -0.60 -0.43 0.15 -2.88 0.00 0.00 179.24 175.48 1l6e h PHE 33 N -1.08 -1.34 -0.98 0.28 3.04 -0.09 1.37 116.94 118.13 1l6e h PHE 33 Ca -0.11 0.07 0.31 0.00 3.98 0.00 0.00 57.97 62.22 1l6e h PHE 33 Cb 0.80 0.64 -0.18 0.00 2.56 0.00 0.00 35.95 39.78 1l6e h PHE 33 CO -0.01 -0.34 0.18 0.00 -2.02 0.00 0.00 178.31 176.12 1l6e h ALA 34 N -0.19 1.44 0.00 2.41 0.00 0.28 0.81 119.26 124.01 1l6e h ALA 34 Ca 0.08 0.31 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 1l6e h ALA 34 Cb 0.40 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1l6e h ALA 34 CO -0.54 -0.66 -0.00 0.28 0.00 0.00 0.00 179.25 178.33 1l6e h VAL 35 N 0.03 1.60 -0.41 0.00 2.07 0.26 -2.23 116.25 117.57 1l6e h VAL 35 Ca 0.66 -2.12 0.03 0.00 0.82 0.00 0.00 66.70 66.09 1l6e h VAL 35 Cb 1.48 2.99 -0.03 0.00 -1.52 0.00 0.00 31.29 34.21 1l6e h VAL 35 CO -0.86 0.53 0.22 -0.08 0.02 0.00 0.00 177.57 177.40 1l6e h GLU 36 N -0.95 0.43 0.47 1.57 4.57 0.32 0.12 114.58 121.11 1l6e h GLU 36 Ca -0.00 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1l6e h GLU 36 Cb 0.87 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 1l6e h GLU 36 CO 0.00 0.28 -0.23 -0.92 -1.18 0.00 0.00 179.01 176.97 1l6e h TYR 37 N 0.44 -0.59 0.01 0.92 3.20 0.43 -2.59 116.97 118.79 1l6e h TYR 37 Ca 0.17 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 1l6e h TYR 37 Cb 0.06 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 1l6e h TYR 37 CO -0.09 -0.29 -0.00 0.74 -1.64 0.00 0.00 178.16 176.87 1l6e h PHE 38 N -1.08 -0.01 -1.82 -3.82 0.04 -1.37 -0.15 116.94 108.72 1l6e h PHE 38 Ca -0.06 0.00 0.53 0.00 2.80 0.00 0.00 57.97 61.23 1l6e h PHE 38 Cb 0.56 0.01 -0.07 0.00 2.20 0.00 0.00 35.95 38.64 1l6e h PHE 38 CO 0.01 -0.01 1.36 2.41 -0.60 0.00 0.00 178.31 181.48 1l6e n THR 39 N -2.24 0.00 0.08 -1.55 -1.04 0.41 0.29 114.28 110.24 1l6e n THR 39 Ca -0.00 1.41 -0.14 0.00 -2.04 0.00 0.00 64.05 63.28 1l6e n THR 39 Cb 0.00 -2.36 -0.07 0.00 -1.82 0.00 0.00 70.33 66.08 1l6e n THR 39 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1l6e h ARG 40 N 0.00 0.36 0.70 -2.82 2.43 -0.80 -3.34 114.38 110.92 1l6e h ARG 40 Ca 0.86 -0.45 -0.03 0.00 -0.81 0.00 0.00 59.98 59.56 1l6e h ARG 40 Cb 3.57 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 33.26 1l6e h ARG 40 CO -0.01 1.14 -0.44 1.25 -1.51 0.00 0.00 179.97 180.41 1l6e h LEU 41 N 0.17 -1.10 -0.86 3.80 6.46 0.62 -2.15 115.31 122.25 1l6e h LEU 41 Ca -0.10 0.06 0.36 0.00 -0.12 0.00 0.00 57.88 58.08 1l6e h LEU 41 Cb 1.71 0.32 -0.15 0.00 -0.73 0.00 0.00 40.66 41.81 1l6e h LEU 41 CO 0.18 -0.67 0.46 -2.11 -0.62 0.00 0.00 178.44 175.68 1l6e n ARG 42 N -5.18 -0.05 -0.20 1.25 0.00 -1.14 0.51 116.66 111.86 1l6e n ARG 42 Ca -0.13 1.18 0.03 0.00 -0.00 0.00 0.00 57.85 58.93 1l6e n ARG 42 Cb 0.44 -2.12 0.12 0.00 -0.00 0.00 0.00 32.46 30.90 1l6e n ARG 42 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1l6e n GLU 43 N -4.93 1.87 -0.15 2.89 1.02 -0.83 -4.46 120.64 116.05 1l6e n GLU 43 Ca 0.32 -0.95 -0.08 0.00 -0.02 0.00 0.00 57.16 56.43 1l6e n GLU 43 Cb 1.10 -1.42 -0.06 0.00 -0.02 0.00 0.00 31.44 31.04 1l6e n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1l6e h ALA 44 N 3.13 -0.51 0.00 0.62 0.00 1.24 -3.39 119.26 120.35 1l6e h ALA 44 Ca 0.00 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1l6e h ALA 44 Cb 0.60 1.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.42 1l6e h ALA 44 CO 0.07 -0.71 0.63 2.89 0.00 0.00 0.00 179.25 182.13 1l6e n ARG 45 N -4.38 0.00 0.00 0.00 0.00 -1.26 -5.10 116.66 105.92 1l6e n ARG 45 Ca -0.01 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.96 1l6e n ARG 45 Cb 0.20 -0.35 0.70 0.00 -0.00 0.00 0.00 32.46 33.01 1l6e n ARG 45 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50