#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 -1.23 -4.13 1.57 0.00 -1.26 -5.02 117.12 107.05 1l6e n MET 2 Ca 0.00 -0.36 -0.12 0.00 0.00 0.00 0.00 57.70 57.22 1l6e n MET 2 Cb 0.00 -1.36 -0.08 0.00 0.00 0.00 0.00 33.22 31.78 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 -1.56 1.25 -0.29 3.03 0.00 -1.26 -5.15 107.32 103.34 1l6e s GLY 3 Ca 0.38 -1.47 -0.01 0.00 0.00 0.00 0.00 44.72 43.62 1l6e s GLY 3 CO 0.47 -1.13 0.75 0.30 0.00 0.00 0.00 173.10 173.49 1l6e s HIS 4 N -3.94 -1.37 0.34 1.90 0.09 -1.26 -5.17 115.29 105.90 1l6e s HIS 4 Ca 0.33 0.90 0.09 0.00 -0.00 0.00 0.00 55.06 56.38 1l6e s HIS 4 Cb 0.04 0.27 -0.05 0.00 -0.00 0.00 0.00 32.58 32.83 1l6e s HIS 4 CO 0.13 -0.79 0.03 0.42 -0.00 0.00 0.00 174.74 174.54 1l6e s ILE 5 N 2.88 2.64 -0.66 0.60 -1.09 -1.26 -5.09 121.20 119.21 1l6e s ILE 5 Ca 0.15 -1.93 0.04 0.00 -2.23 0.00 0.00 60.65 56.68 1l6e s ILE 5 Cb -0.08 -2.83 0.16 0.00 -1.58 0.00 0.00 42.46 38.13 1l6e s ILE 5 CO -0.24 -0.18 0.44 -1.10 -1.23 0.00 0.00 174.94 172.63 1l6e s GLN 6 N -3.74 2.38 0.14 2.79 -1.52 -1.26 -5.06 119.66 113.39 1l6e s GLN 6 Ca 0.35 -3.06 -0.04 0.00 -1.95 0.00 0.00 55.36 50.67 1l6e s GLN 6 Cb 0.00 -3.46 -0.03 0.00 -0.22 0.00 0.00 33.01 29.31 1l6e s GLN 6 CO 0.20 -1.22 0.12 0.42 -0.25 0.00 0.00 175.29 174.56 1l6e s ILE 7 N -0.99 0.10 0.27 1.08 -1.09 -1.26 -5.13 121.20 114.18 1l6e s ILE 7 Ca 0.22 -1.74 -0.29 0.00 -2.23 0.00 0.00 60.65 56.61 1l6e s ILE 7 Cb -0.13 -1.95 -0.09 0.00 -1.58 0.00 0.00 42.46 38.71 1l6e s ILE 7 CO -0.10 -0.44 1.25 -2.16 -1.23 0.00 0.00 174.94 172.26 1l6e s PRO 8 N -4.02 4.45 0.76 2.79 0.04 -1.26 -5.01 135.00 132.75 1l6e s PRO 8 Ca 0.21 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.18 1l6e s PRO 8 Cb 0.06 -3.15 0.05 0.00 0.04 0.00 0.00 34.50 31.50 1l6e s PRO 8 CO 0.01 -0.10 1.08 -1.25 0.04 0.00 0.00 177.00 176.78 1l6e s PRO 9 N -1.08 2.39 0.00 0.56 0.04 -1.26 -3.52 135.00 132.13 1l6e s PRO 9 Ca 0.50 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1l6e s PRO 9 Cb -0.36 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1l6e s PRO 9 CO 0.44 -1.51 0.00 0.41 0.04 0.00 0.00 177.00 176.38 1l6e n GLY 10 N -1.50 2.59 0.10 0.56 0.00 -1.26 -4.74 105.19 100.93 1l6e n GLY 10 Ca 0.08 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 1l6e n GLY 10 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1l6e h LEU 11 N 0.00 0.32 0.00 0.99 3.38 -1.98 -3.34 115.31 114.69 1l6e h LEU 11 Ca 0.00 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1l6e h LEU 11 Cb 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1l6e h LEU 11 CO 0.00 1.31 0.00 0.41 0.09 0.00 0.00 178.44 180.25 1l6e n THR 12 N -3.45 0.00 -0.28 0.22 -1.04 -1.26 -0.11 114.28 108.36 1l6e n THR 12 Ca -0.10 1.34 0.22 0.00 -2.04 0.00 0.00 64.05 63.47 1l6e n THR 12 Cb 1.02 -2.17 0.41 0.00 -1.82 0.00 0.00 70.33 67.77 1l6e n THR 12 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1l6e n GLU 13 N -1.82 -0.06 0.31 -2.82 2.13 -1.26 0.13 120.64 117.25 1l6e n GLU 13 Ca 0.00 1.22 -0.13 0.00 0.66 0.00 0.00 57.16 58.91 1l6e n GLU 13 Cb 0.00 -2.09 -0.06 0.00 0.27 0.00 0.00 31.44 29.56 1l6e n GLU 13 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1l6e h LEU 14 N 0.00 -0.71 0.60 4.31 4.07 -1.51 -2.45 115.31 119.62 1l6e h LEU 14 Ca 0.65 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 58.60 1l6e h LEU 14 Cb 1.60 0.18 0.01 0.00 1.08 0.00 0.00 40.66 43.53 1l6e h LEU 14 CO -0.72 -0.34 -0.29 -0.07 -1.08 0.00 0.00 178.44 175.95 1l6e h LEU 15 N -1.17 -0.68 -0.95 1.67 4.07 0.23 -2.95 115.31 115.53 1l6e h LEU 15 Ca -0.09 0.02 0.31 0.00 0.08 0.00 0.00 57.88 58.21 1l6e h LEU 15 Cb 0.64 0.18 -0.18 0.00 1.08 0.00 0.00 40.66 42.38 1l6e h LEU 15 CO 0.14 -0.30 0.18 1.67 -1.08 0.00 0.00 178.44 179.05 1l6e n GLN 16 N -5.17 -0.07 0.21 1.13 7.27 0.35 -0.05 117.38 121.04 1l6e n GLN 16 Ca -0.10 1.39 -0.12 0.00 0.07 0.00 0.00 57.00 58.24 1l6e n GLN 16 Cb 0.32 -2.30 -0.06 0.00 2.41 0.00 0.00 30.24 30.60 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 -1.05 -0.61 1.69 0.00 -1.37 -1.94 103.07 99.78 1l6e h GLY 17 Ca 0.65 0.47 0.08 0.00 0.00 0.00 0.00 47.33 48.54 1l6e h GLY 17 CO -0.84 -0.34 -0.49 -1.82 0.00 0.00 0.00 176.54 173.05 1l6e h TYR 18 N -0.68 -1.50 -1.40 5.60 3.20 -0.29 0.92 116.97 122.82 1l6e h TYR 18 Ca -0.05 0.09 0.41 0.00 3.14 0.00 0.00 58.73 62.33 1l6e h TYR 18 Cb 0.58 0.74 -0.07 0.00 1.54 0.00 0.00 36.73 39.52 1l6e h TYR 18 CO -0.16 -0.43 0.98 1.15 -1.64 0.00 0.00 178.16 178.07 1l6e h THR 19 N -0.21 0.27 0.00 1.81 2.02 -0.95 1.20 112.91 117.05 1l6e h THR 19 Ca 0.16 -0.02 -0.13 0.00 0.77 0.00 0.00 66.41 67.19 1l6e h THR 19 Cb 0.54 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1l6e h THR 19 CO -0.74 0.01 -1.06 0.58 0.37 0.00 0.00 175.52 174.68 1l6e h VAL 20 N 0.06 0.55 0.10 3.16 2.07 0.16 -2.85 116.25 119.50 1l6e h VAL 20 Ca 0.71 -1.94 -0.34 0.00 0.82 0.00 0.00 66.70 65.94 1l6e h VAL 20 Cb 2.62 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 34.47 1l6e h VAL 20 CO -0.10 0.32 -1.85 -0.33 0.02 0.00 0.00 177.57 175.62 1l6e h GLU 21 N 0.00 0.21 -0.03 1.57 5.08 0.30 -2.76 114.58 118.96 1l6e h GLU 21 Ca -0.09 -0.37 -0.18 0.00 -1.00 0.00 0.00 59.36 57.72 1l6e h GLU 21 Cb 1.45 0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.85 1l6e h GLU 21 CO 0.05 1.05 -0.70 0.28 -1.00 0.00 0.00 179.01 178.68 1l6e h VAL 22 N 0.06 1.37 0.01 3.13 2.07 0.37 -2.84 116.25 120.42 1l6e h VAL 22 Ca -0.36 -2.06 -0.19 0.00 0.82 0.00 0.00 66.70 64.91 1l6e h VAL 22 Cb 2.03 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 34.20 1l6e h VAL 22 CO 0.10 0.62 -0.88 -0.07 0.02 0.00 0.00 177.57 177.36 1l6e h LEU 23 N 0.11 0.15 -0.08 2.57 3.38 -1.66 2.22 115.31 122.00 1l6e h LEU 23 Ca -0.08 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1l6e h LEU 23 Cb 1.38 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1l6e h LEU 23 CO 0.14 0.96 0.00 -1.14 0.09 0.00 0.00 178.44 178.48 1l6e n ARG 24 N -3.60 1.05 -0.55 1.13 0.63 -1.04 -4.00 116.66 110.28 1l6e n ARG 24 Ca -0.02 -0.08 -0.02 0.00 -0.92 0.00 0.00 57.85 56.81 1l6e n ARG 24 Cb 0.82 -1.42 -0.02 0.00 0.45 0.00 0.00 32.46 32.29 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 -0.83 0.00 -0.17 -0.14 10.64 -1.07 -5.01 117.38 120.80 1l6e n GLN 25 Ca 0.20 -0.27 0.00 0.00 -1.83 0.00 0.00 57.00 55.09 1l6e n GLN 25 Cb 0.11 0.19 0.00 0.00 -0.86 0.00 0.00 30.24 29.68 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 -2.20 2.61 6.02 0.75 -4.66 117.38 119.90 1l6e n GLN 26 Ca -0.08 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.49 1l6e n GLN 26 Cb 0.44 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.67 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 -0.04 4.29 0.00 -1.09 0.04 -1.25 -4.88 135.00 132.07 1l6e s PRO 27 Ca 0.00 2.01 0.15 0.00 0.04 0.00 0.00 61.00 63.20 1l6e s PRO 27 Cb 0.00 -3.50 0.76 0.00 0.04 0.00 0.00 34.50 31.80 1l6e s PRO 27 CO 0.00 -0.55 1.40 -0.35 0.04 0.00 0.00 177.00 177.54 1l6e n PRO 28 N 5.06 0.23 -0.68 0.56 -0.04 -1.26 -2.19 135.00 136.69 1l6e n PRO 28 Ca 0.13 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1l6e n PRO 28 Cb 0.43 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.60 1l6e n PRO 28 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1l6e n ASP 29 N -1.26 2.52 -0.02 3.54 9.92 -1.26 -4.87 116.55 125.12 1l6e n ASP 29 Ca 0.07 -3.66 -0.01 0.00 -0.53 0.00 0.00 54.79 50.67 1l6e n ASP 29 Cb 0.11 -0.59 -0.01 0.00 -0.64 0.00 0.00 41.12 39.99 1l6e n ASP 29 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1l6e n LEU 30 N -1.07 -0.06 -0.35 0.64 7.94 -0.93 0.19 117.00 123.36 1l6e n LEU 30 Ca 0.28 0.53 -0.09 0.00 -1.11 0.00 0.00 56.01 55.62 1l6e n LEU 30 Cb 0.93 -0.23 -0.08 0.00 0.53 0.00 0.00 43.42 44.58 1l6e n LEU 30 CO 0.14 -0.30 0.45 0.52 -1.11 0.00 0.00 177.39 177.09 1l6e n VAL 31 N -2.74 -0.56 0.06 1.96 0.31 -1.26 0.18 118.33 116.28 1l6e n VAL 31 Ca 0.00 2.15 -0.12 0.00 -0.01 0.00 0.00 64.34 66.36 1l6e n VAL 31 Cb 0.02 -2.68 -0.07 0.00 -0.91 0.00 0.00 33.84 30.20 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 -0.07 -0.34 4.52 3.58 -0.11 -2.26 116.42 121.74 1l6e h ASP 32 Ca 0.13 0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.66 1l6e h ASP 32 Cb 0.34 0.02 -0.08 0.00 1.72 0.00 0.00 39.33 41.33 1l6e h ASP 32 CO -0.78 -0.04 -0.20 0.15 -2.88 0.00 0.00 179.24 175.49 1l6e h PHE 33 N -0.07 -0.51 -0.55 0.28 3.57 0.58 0.64 116.94 120.88 1l6e h PHE 33 Ca -0.00 0.04 0.16 0.00 3.53 0.00 0.00 57.97 61.70 1l6e h PHE 33 Cb 0.06 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1l6e h PHE 33 CO -0.08 -0.28 0.47 0.00 -2.23 0.00 0.00 178.31 176.19 1l6e h ALA 34 N 1.05 2.39 0.00 2.41 0.00 0.23 -0.45 119.26 124.89 1l6e h ALA 34 Ca 0.17 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1l6e h ALA 34 Cb 0.42 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1l6e h ALA 34 CO -0.43 -0.75 -0.53 0.28 0.00 0.00 0.00 179.25 177.81 1l6e h VAL 35 N 0.00 0.64 -1.04 0.00 2.07 0.56 -2.75 116.25 115.73 1l6e h VAL 35 Ca 0.26 -1.63 0.27 0.00 0.82 0.00 0.00 66.70 66.42 1l6e h VAL 35 Cb 1.20 1.36 -0.08 0.00 -1.52 0.00 0.00 31.29 32.25 1l6e h VAL 35 CO -0.00 0.22 0.69 -0.33 0.02 0.00 0.00 177.57 178.17 1l6e h GLU 36 N -1.00 0.29 0.03 1.57 4.39 0.52 1.34 114.58 121.72 1l6e h GLU 36 Ca -0.11 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 1l6e h GLU 36 Cb 0.75 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1l6e h GLU 36 CO -0.06 0.19 -0.02 -0.92 -1.16 0.00 0.00 179.01 177.04 1l6e h TYR 37 N 0.30 -0.04 0.22 4.33 3.20 -1.22 -2.97 116.97 120.78 1l6e h TYR 37 Ca 0.56 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.42 1l6e h TYR 37 Cb 1.62 0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.90 1l6e h TYR 37 CO -0.00 0.63 -0.10 0.74 -1.64 0.00 0.00 178.16 177.78 1l6e h PHE 38 N -0.92 -0.27 -0.63 -3.82 0.04 -0.99 -1.48 116.94 108.87 1l6e h PHE 38 Ca -0.00 -0.01 0.13 0.00 2.80 0.00 0.00 57.97 60.89 1l6e h PHE 38 Cb 0.69 0.09 -0.12 0.00 2.20 0.00 0.00 35.95 38.81 1l6e h PHE 38 CO 0.18 0.11 -0.14 1.15 -0.60 0.00 0.00 178.31 179.00 1l6e h THR 39 N -0.91 0.38 -0.25 -1.55 2.02 0.15 0.38 112.91 113.14 1l6e h THR 39 Ca -0.03 -0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.07 1l6e h THR 39 Cb 0.50 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1l6e h THR 39 CO 0.05 0.00 -0.16 0.03 0.37 0.00 0.00 175.52 175.81 1l6e h ARG 40 N 0.01 0.43 -0.62 6.66 -0.00 -1.59 -3.12 114.38 116.16 1l6e h ARG 40 Ca 0.30 -0.13 0.09 0.00 -0.50 0.00 0.00 59.98 59.75 1l6e h ARG 40 Cb 0.47 -0.04 -0.11 0.00 0.00 0.00 0.00 29.97 30.28 1l6e h ARG 40 CO -0.64 0.59 -0.43 1.25 0.00 0.00 0.00 179.97 180.74 1l6e h LEU 41 N 0.40 -1.48 -1.66 3.04 7.12 0.89 4.38 115.31 128.00 1l6e h LEU 41 Ca 0.07 0.25 0.25 0.00 0.13 0.00 0.00 57.88 58.58 1l6e h LEU 41 Cb 0.52 0.68 -0.06 0.00 -0.53 0.00 0.00 40.66 41.27 1l6e h LEU 41 CO 0.03 -0.33 0.66 0.03 -0.13 0.00 0.00 178.44 178.71 1l6e h ARG 42 N -0.20 0.24 -0.08 1.25 -0.00 -1.45 0.88 114.38 115.02 1l6e h ARG 42 Ca 0.19 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.66 1l6e h ARG 42 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 30.48 1l6e h ARG 42 CO -0.71 0.16 0.00 0.39 0.00 0.00 0.00 179.97 179.81 1l6e n GLU 43 N -4.44 1.12 0.00 0.04 1.02 0.21 -4.78 120.64 113.80 1l6e n GLU 43 Ca 0.21 -1.40 0.00 0.00 -0.02 0.00 0.00 57.16 55.95 1l6e n GLU 43 Cb 0.88 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 31.05 1l6e n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1l6e n ALA 44 N 0.69 0.00 0.00 0.62 0.00 1.38 -4.41 120.51 118.79 1l6e n ALA 44 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1l6e n ALA 44 Cb 0.34 0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.76 0.00 0.00 0.00 0.00 -1.26 -5.05 116.66 109.60 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 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1l6e n ARG 45 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50