#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l6e s MET 2 N 0.00 1.95 0.00 -0.41 -2.45 -1.26 -5.08 119.30 112.06 1l6e s MET 2 Ca 0.00 -0.56 0.00 0.00 -1.25 0.00 0.00 55.69 53.88 1l6e s MET 2 Cb 0.00 -1.60 0.00 0.00 1.25 0.00 0.00 34.83 34.48 1l6e s MET 2 CO 0.00 0.13 0.00 0.41 1.05 0.00 0.00 175.02 176.61 1l6e n GLY 3 N 3.52 0.43 3.26 2.11 0.00 -1.26 -5.15 105.19 108.11 1l6e n GLY 3 Ca -0.20 -1.59 -0.15 0.00 0.00 0.00 0.00 46.02 44.08 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 -3.04 1.40 -0.43 1.61 4.02 -1.26 -5.12 115.29 112.47 1l6e s HIS 4 Ca 0.00 -1.39 0.02 0.00 1.02 0.00 0.00 55.06 54.71 1l6e s HIS 4 Cb 0.00 -0.70 0.15 0.00 -1.02 0.00 0.00 32.58 31.01 1l6e s HIS 4 CO 0.00 -0.60 0.27 0.42 1.02 0.00 0.00 174.74 175.85 1l6e s ILE 5 N -3.88 0.91 0.00 0.60 -1.09 -1.26 -5.11 121.20 111.37 1l6e s ILE 5 Ca 0.38 -2.44 0.00 0.00 -2.23 0.00 0.00 60.65 56.36 1l6e s ILE 5 Cb 0.06 -1.64 0.00 0.00 -1.58 0.00 0.00 42.46 39.30 1l6e s ILE 5 CO 0.16 -1.00 0.00 0.00 -1.23 0.00 0.00 174.94 172.86 1l6e n GLN 6 N 3.44 3.11 -0.48 2.79 1.13 -1.26 -5.05 117.38 121.05 1l6e n GLN 6 Ca 0.15 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.27 1l6e n GLN 6 Cb 0.38 0.00 0.14 0.00 0.11 0.00 0.00 30.24 30.87 1l6e n GLN 6 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1l6e n ILE 7 N -0.01 1.59 -2.31 5.09 -6.64 -1.26 -5.02 119.36 110.79 1l6e n ILE 7 Ca 0.00 -2.25 -0.43 0.00 -1.77 0.00 0.00 62.75 58.30 1l6e n ILE 7 Cb 0.00 -0.02 -0.02 0.00 -1.44 0.00 0.00 39.64 38.16 1l6e n ILE 7 CO 0.00 0.00 0.00 -2.16 -1.77 0.00 0.00 176.55 172.62 1l6e s PRO 8 N -2.37 4.04 -0.38 6.28 0.04 -1.26 -4.95 135.00 136.39 1l6e s PRO 8 Ca 0.31 1.59 -0.29 0.00 0.04 0.00 0.00 61.00 62.65 1l6e s PRO 8 Cb 0.30 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1l6e s PRO 8 CO -0.03 -0.97 1.46 -1.25 0.04 0.00 0.00 177.00 176.24 1l6e s PRO 9 N 4.01 3.59 -0.21 0.56 0.04 -1.26 -3.63 135.00 138.09 1l6e s PRO 9 Ca 0.61 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1l6e s PRO 9 Cb -0.22 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.29 1l6e s PRO 9 CO 0.22 -1.55 0.00 0.41 0.04 0.00 0.00 177.00 176.12 1l6e n GLY 10 N 5.03 0.19 0.09 0.56 0.00 -1.26 -4.70 105.19 105.10 1l6e n GLY 10 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.07 0.00 0.99 5.85 -1.96 -2.86 115.31 117.25 1l6e h LEU 11 Ca -0.04 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.15 1l6e h LEU 11 Cb 0.19 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1l6e h LEU 11 CO 0.06 0.55 0.00 0.41 -0.34 0.00 0.00 178.44 179.11 1l6e n THR 12 N -4.83 0.00 -0.02 1.05 -1.04 -1.26 0.15 114.28 108.32 1l6e n THR 12 Ca -0.08 1.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.92 1l6e n THR 12 Cb 0.30 -1.70 -0.01 0.00 -1.82 0.00 0.00 70.33 67.10 1l6e n THR 12 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1l6e h GLU 13 N 0.00 -0.01 -0.20 -2.82 4.39 -1.96 1.28 114.58 115.25 1l6e h GLU 13 Ca 0.00 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1l6e h GLU 13 Cb 0.00 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 1l6e h GLU 13 CO 0.00 -0.01 -0.25 -0.07 -1.16 0.00 0.00 179.01 177.52 1l6e h LEU 14 N -0.01 -0.84 0.00 1.33 3.38 -1.49 0.74 115.31 118.40 1l6e h LEU 14 Ca 0.01 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1l6e h LEU 14 Cb 0.04 0.35 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1l6e h LEU 14 CO -0.06 -0.18 0.00 -0.11 0.09 0.00 0.00 178.44 178.19 1l6e n LEU 15 N -3.90 0.00 -0.66 1.67 7.94 0.39 0.13 117.00 122.56 1l6e n LEU 15 Ca -0.01 0.85 0.50 0.00 -1.11 0.00 0.00 56.01 56.24 1l6e n LEU 15 Cb 0.15 -0.35 0.79 0.00 0.53 0.00 0.00 43.42 44.53 1l6e n LEU 15 CO -0.00 -0.35 1.42 1.67 -1.11 0.00 0.00 177.39 179.01 1l6e n GLN 16 N -1.65 -0.01 -0.02 1.96 7.27 0.44 0.20 117.38 125.57 1l6e n GLN 16 Ca 0.00 1.11 -0.18 0.00 0.07 0.00 0.00 57.00 58.00 1l6e n GLN 16 Cb 0.00 -2.47 -0.14 0.00 2.41 0.00 0.00 30.24 30.04 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 0.17 1.49 1.69 0.00 0.11 -2.98 103.07 103.54 1l6e h GLY 17 Ca 0.92 -0.43 -0.19 0.00 0.00 0.00 0.00 47.33 47.63 1l6e h GLY 17 CO -0.10 0.38 -0.74 -1.82 0.00 0.00 0.00 176.54 174.26 1l6e h TYR 18 N -0.66 0.68 -0.82 5.60 3.20 0.72 -2.99 116.97 122.69 1l6e h TYR 18 Ca -0.14 -0.30 -0.03 0.00 3.14 0.00 0.00 58.73 61.41 1l6e h TYR 18 Cb 1.38 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 39.51 1l6e h TYR 18 CO 0.21 1.07 0.40 1.15 -1.64 0.00 0.00 178.16 179.35 1l6e h THR 19 N 0.34 1.25 -0.25 1.81 2.02 0.21 -2.15 112.91 116.15 1l6e h THR 19 Ca -0.03 -0.71 -0.07 0.00 0.77 0.00 0.00 66.41 66.37 1l6e h THR 19 Cb 1.32 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1l6e h THR 19 CO 0.13 0.30 -0.14 0.58 0.37 0.00 0.00 175.52 176.76 1l6e h VAL 20 N 1.17 1.22 0.04 3.16 2.07 -1.48 -2.59 116.25 119.83 1l6e h VAL 20 Ca 0.28 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 1l6e h VAL 20 Cb 0.11 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1l6e h VAL 20 CO -0.04 0.32 -0.02 -0.33 0.02 0.00 0.00 177.57 177.52 1l6e h GLU 21 N 0.38 -0.05 -0.61 1.57 5.08 -1.26 -1.20 114.58 118.49 1l6e h GLU 21 Ca 0.07 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.55 1l6e h GLU 21 Cb 0.48 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.66 1l6e h GLU 21 CO 0.03 0.24 0.11 0.28 -1.00 0.00 0.00 179.01 178.67 1l6e h VAL 22 N -0.34 0.61 0.00 3.13 2.07 -1.26 0.47 116.25 120.94 1l6e h VAL 22 Ca -0.01 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1l6e h VAL 22 Cb 0.31 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1l6e h VAL 22 CO 0.01 0.04 0.00 -0.11 0.02 0.00 0.00 177.57 177.53 1l6e n LEU 23 N -5.15 0.28 -1.35 2.57 7.94 -0.99 -1.07 117.00 119.22 1l6e n LEU 23 Ca 0.09 0.55 0.10 0.00 -1.11 0.00 0.00 56.01 55.64 1l6e n LEU 23 Cb 0.34 -0.49 0.31 0.00 0.53 0.00 0.00 43.42 44.11 1l6e n LEU 23 CO 0.16 -0.25 0.77 -1.14 -1.11 0.00 0.00 177.39 175.81 1l6e n ARG 24 N -1.79 2.98 -0.55 1.96 3.00 0.16 -4.45 116.66 117.97 1l6e n ARG 24 Ca 0.04 -2.52 -0.02 0.00 -0.00 0.00 0.00 57.85 55.36 1l6e n ARG 24 Cb 0.26 -1.66 -0.02 0.00 0.00 0.00 0.00 32.46 31.04 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 1.29 0.00 -0.47 -0.14 10.64 -0.97 -5.03 117.38 122.70 1l6e n GLN 25 Ca 0.23 -0.27 0.00 0.00 -1.83 0.00 0.00 57.00 55.13 1l6e n GLN 25 Cb 0.68 0.36 0.00 0.00 -0.86 0.00 0.00 30.24 30.42 1l6e n GLN 25 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 1l6e n GLN 26 N 0.00 0.00 -2.22 2.61 7.27 -0.23 -4.69 117.38 120.12 1l6e n GLN 26 Ca -0.08 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.58 1l6e n GLN 26 Cb 0.36 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.98 1l6e n GLN 26 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1l6e s PRO 27 N -0.09 4.37 0.27 3.69 0.04 -1.26 -4.92 135.00 137.10 1l6e s PRO 27 Ca 0.00 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.11 1l6e s PRO 27 Cb 0.00 -3.23 0.38 0.00 0.04 0.00 0.00 34.50 31.69 1l6e s PRO 27 CO 0.00 -0.32 1.67 -1.00 0.04 0.00 0.00 177.00 177.39 1l6e h PRO 28 N 6.07 0.35 -0.54 0.56 0.13 -1.99 -2.91 132.00 133.67 1l6e h PRO 28 Ca -0.43 -0.17 -0.21 0.00 -0.87 0.00 0.00 66.00 64.32 1l6e h PRO 28 Cb 1.21 -0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.22 1l6e h PRO 28 CO 0.81 0.70 0.15 -3.47 -0.23 0.00 0.00 178.00 175.96 1l6e n ASP 29 N -4.03 3.57 -0.19 1.44 -0.08 -1.26 -4.80 116.55 111.19 1l6e n ASP 29 Ca -0.01 -3.45 -0.05 0.00 -1.51 0.00 0.00 54.79 49.76 1l6e n ASP 29 Cb 0.48 -0.68 -0.05 0.00 2.34 0.00 0.00 41.12 43.22 1l6e n ASP 29 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1l6e n LEU 30 N -0.77 -0.49 -0.29 -2.67 -0.00 -1.10 0.44 117.00 112.12 1l6e n LEU 30 Ca 0.37 0.92 -0.08 0.00 -0.00 0.00 0.00 56.01 57.23 1l6e n LEU 30 Cb 1.20 -0.15 -0.07 0.00 -0.00 0.00 0.00 43.42 44.40 1l6e n LEU 30 CO 0.31 -0.72 0.34 0.52 -0.00 0.00 0.00 177.39 177.85 1l6e n VAL 31 N -4.33 -0.47 -0.18 1.96 0.31 -1.26 0.19 118.33 114.55 1l6e n VAL 31 Ca 0.01 1.71 -0.06 0.00 -0.01 0.00 0.00 64.34 65.99 1l6e n VAL 31 Cb 0.12 -2.11 0.03 0.00 -0.91 0.00 0.00 33.84 30.97 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 0.54 -0.14 4.52 1.82 -0.41 -1.85 116.42 120.90 1l6e h ASP 32 Ca 0.11 -0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.75 1l6e h ASP 32 Cb 0.28 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.17 1l6e h ASP 32 CO -0.65 0.38 0.07 0.15 -1.61 0.00 0.00 179.24 177.59 1l6e h PHE 33 N 0.65 0.19 -0.52 0.28 3.57 0.26 -0.80 116.94 120.57 1l6e h PHE 33 Ca 0.21 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.85 1l6e h PHE 33 Cb -0.01 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1l6e h PHE 33 CO -0.06 0.19 0.43 0.00 -2.23 0.00 0.00 178.31 176.65 1l6e h ALA 34 N 0.97 2.37 0.05 2.41 0.00 0.24 -0.10 119.26 125.21 1l6e h ALA 34 Ca 0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1l6e h ALA 34 Cb 0.07 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1l6e h ALA 34 CO -0.01 -0.70 -0.03 0.28 0.00 0.00 0.00 179.25 178.80 1l6e h VAL 35 N 0.00 0.87 -0.89 0.00 2.07 -0.41 -3.11 116.25 114.79 1l6e h VAL 35 Ca 0.25 -1.51 0.17 0.00 0.82 0.00 0.00 66.70 66.43 1l6e h VAL 35 Cb 1.11 1.60 -0.07 0.00 -1.52 0.00 0.00 31.29 32.41 1l6e h VAL 35 CO -0.00 0.28 0.58 -0.33 0.02 0.00 0.00 177.57 178.11 1l6e h GLU 36 N -0.96 0.52 0.64 1.57 5.08 -0.38 0.75 114.58 121.80 1l6e h GLU 36 Ca -0.01 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1l6e h GLU 36 Cb 0.51 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.65 1l6e h GLU 36 CO 0.01 0.35 -0.32 -0.92 -1.00 0.00 0.00 179.01 177.13 1l6e h TYR 37 N 0.54 -0.83 0.20 4.33 5.03 -1.11 -1.27 116.97 123.86 1l6e h TYR 37 Ca 0.46 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.74 1l6e h TYR 37 Cb 0.94 0.28 0.00 0.00 1.55 0.00 0.00 36.73 39.50 1l6e h TYR 37 CO -0.00 -0.51 -0.10 0.74 -1.32 0.00 0.00 178.16 176.98 1l6e h PHE 38 N -0.87 -0.25 -1.58 -3.82 0.04 -1.38 -2.86 116.94 106.22 1l6e h PHE 38 Ca -0.09 -0.01 0.46 0.00 2.80 0.00 0.00 57.97 61.14 1l6e h PHE 38 Cb 0.67 0.08 -0.07 0.00 2.20 0.00 0.00 35.95 38.83 1l6e h PHE 38 CO 0.06 0.14 1.12 1.15 -0.60 0.00 0.00 178.31 180.18 1l6e h THR 39 N -0.72 0.18 -0.09 -1.55 2.02 0.42 0.94 112.91 114.12 1l6e h THR 39 Ca -0.03 -0.01 -0.21 0.00 0.77 0.00 0.00 66.41 66.94 1l6e h THR 39 Cb 0.50 0.16 0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1l6e h THR 39 CO 0.04 0.00 -0.75 0.03 0.37 0.00 0.00 175.52 175.22 1l6e h ARG 40 N 0.02 0.67 -0.69 6.66 3.08 -1.01 -3.10 114.38 120.02 1l6e h ARG 40 Ca 0.78 -0.60 0.20 0.00 0.07 0.00 0.00 59.98 60.43 1l6e h ARG 40 Cb 3.01 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 33.17 1l6e h ARG 40 CO -0.07 1.21 0.53 -0.07 -1.07 0.00 0.00 179.97 180.50 1l6e h LEU 41 N 0.34 0.00 -1.42 3.04 -0.00 0.11 0.11 115.31 117.49 1l6e h LEU 41 Ca -0.07 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.87 1l6e h LEU 41 Cb 1.40 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 42.02 1l6e h LEU 41 CO 0.15 0.00 0.44 0.03 -0.00 0.00 0.00 178.44 179.07 1l6e h ARG 42 N 0.00 0.70 -0.50 1.13 3.08 -1.43 -0.95 114.38 116.40 1l6e h ARG 42 Ca 0.33 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.37 1l6e h ARG 42 Cb 1.38 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 31.25 1l6e h ARG 42 CO -0.00 0.46 0.33 1.49 -1.07 0.00 0.00 179.97 181.18 1l6e h GLU 43 N 0.72 0.53 0.00 0.04 4.81 -0.94 -3.18 114.58 116.57 1l6e h GLU 43 Ca 0.28 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1l6e h GLU 43 Cb 0.20 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1l6e h GLU 43 CO -0.09 0.35 -0.00 0.00 -0.73 0.00 0.00 179.01 178.54 1l6e h ALA 44 N 1.71 -0.59 -1.58 2.92 0.00 -1.28 -3.45 119.26 116.99 1l6e h ALA 44 Ca 0.20 -0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.66 1l6e h ALA 44 Cb 0.13 0.00 0.17 0.00 0.00 0.00 0.00 17.79 18.09 1l6e h ALA 44 CO -0.05 -0.59 -1.24 0.54 0.00 0.00 0.00 179.25 177.91 1l6e n ARG 45 N -2.02 0.00 -0.43 0.00 5.12 -1.16 -5.17 116.66 113.00 1l6e n ARG 45 Ca -0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1l6e n ARG 45 Cb 0.00 -0.79 0.00 0.00 -1.16 0.00 0.00 32.46 30.51 1l6e n ARG 45 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24